USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 508 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 Set 1.1: A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0203) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -81:sc= 1.42 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.983 K(o=2.4,f=1.5) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.597 (180deg=0.574) USER MOD Single : A 10 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 21 THR OG1 : rot -50:sc= 1.26 USER MOD Single : A 26 THR OG1 : rot 35:sc= 0.0039 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -173:sc= -0.983 (180deg=-1.31) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.186) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.03) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc=-0.00259 (180deg=-0.0893) USER MOD Single : A 51 MET CE :methyl -133:sc= 0 (180deg=-0.231) USER MOD Single : A 53 SER OG : rot 76:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 1.7 (180deg=1.27) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 71 MET CE :methyl 169:sc=-0.00693 (180deg=-0.164) USER MOD Single : A 72 MET CE :methyl 176:sc= -0.0866 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 15.473 18.028 -10.216 1.00 0.00 N ATOM 68 CA THR A 5 16.722 18.777 -10.297 1.00 0.00 C ATOM 69 C THR A 5 16.584 19.930 -11.295 1.00 0.00 C ATOM 70 O THR A 5 15.701 19.925 -12.152 1.00 0.00 O ATOM 71 CB THR A 5 17.866 17.859 -10.753 1.00 0.00 C ATOM 72 OG1 THR A 5 17.543 17.280 -12.002 1.00 0.00 O ATOM 73 CG2 THR A 5 18.175 16.763 -9.730 1.00 0.00 C ATOM 0 HA THR A 5 16.946 19.174 -9.307 1.00 0.00 H new ATOM 0 HB THR A 5 18.762 18.472 -10.848 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.950 16.512 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.991 16.141 -10.099 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.466 17.220 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.289 16.147 -9.578 1.00 0.00 H new ATOM 81 N GLU A 6 17.506 20.891 -11.237 1.00 0.00 N ATOM 82 CA GLU A 6 17.622 21.943 -12.238 1.00 0.00 C ATOM 83 C GLU A 6 17.729 21.350 -13.647 1.00 0.00 C ATOM 84 O GLU A 6 17.237 21.938 -14.606 1.00 0.00 O ATOM 85 CB GLU A 6 18.824 22.844 -11.918 1.00 0.00 C ATOM 86 CG GLU A 6 18.545 23.823 -10.763 1.00 0.00 C ATOM 87 CD GLU A 6 18.178 23.147 -9.443 1.00 0.00 C ATOM 88 OE1 GLU A 6 18.823 22.122 -9.129 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.242 23.655 -8.786 1.00 0.00 O ATOM 0 H GLU A 6 18.196 20.959 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 6 16.719 22.553 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.681 22.221 -11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.096 23.409 -12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.427 24.444 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.733 24.490 -11.055 1.00 0.00 H new ATOM 96 N GLU A 7 18.386 20.199 -13.804 1.00 0.00 N ATOM 97 CA GLU A 7 18.464 19.533 -15.097 1.00 0.00 C ATOM 98 C GLU A 7 17.066 19.096 -15.542 1.00 0.00 C ATOM 99 O GLU A 7 16.629 19.431 -16.642 1.00 0.00 O ATOM 100 CB GLU A 7 19.430 18.346 -15.012 1.00 0.00 C ATOM 101 CG GLU A 7 20.855 18.805 -14.670 1.00 0.00 C ATOM 102 CD GLU A 7 21.802 17.616 -14.537 1.00 0.00 C ATOM 103 OE1 GLU A 7 21.677 16.912 -13.511 1.00 0.00 O ATOM 104 OE2 GLU A 7 22.622 17.430 -15.460 1.00 0.00 O ATOM 0 H GLU A 7 18.870 19.712 -13.050 1.00 0.00 H new ATOM 0 HA GLU A 7 18.850 20.225 -15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.081 17.645 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.437 17.812 -15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.219 19.478 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.844 19.370 -13.738 1.00 0.00 H new ATOM 111 N GLN A 8 16.341 18.389 -14.672 1.00 0.00 N ATOM 112 CA GLN A 8 14.966 18.013 -14.968 1.00 0.00 C ATOM 113 C GLN A 8 14.133 19.254 -15.303 1.00 0.00 C ATOM 114 O GLN A 8 13.411 19.257 -16.293 1.00 0.00 O ATOM 115 CB GLN A 8 14.364 17.224 -13.805 1.00 0.00 C ATOM 116 CG GLN A 8 15.027 15.847 -13.668 1.00 0.00 C ATOM 117 CD GLN A 8 14.772 15.295 -12.276 1.00 0.00 C ATOM 118 OE1 GLN A 8 15.638 15.377 -11.408 1.00 0.00 O ATOM 119 NE2 GLN A 8 13.563 14.814 -12.025 1.00 0.00 N ATOM 0 H GLN A 8 16.684 18.070 -13.766 1.00 0.00 H new ATOM 0 HA GLN A 8 14.958 17.364 -15.844 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.489 17.785 -12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.292 17.101 -13.961 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.630 15.164 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.099 15.929 -13.847 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.870 14.761 -12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.325 14.496 -11.085 1.00 0.00 H new ATOM 128 N LYS A 9 14.244 20.326 -14.518 1.00 0.00 N ATOM 129 CA LYS A 9 13.517 21.558 -14.797 1.00 0.00 C ATOM 130 C LYS A 9 13.898 22.147 -16.166 1.00 0.00 C ATOM 131 O LYS A 9 13.015 22.598 -16.893 1.00 0.00 O ATOM 132 CB LYS A 9 13.658 22.547 -13.634 1.00 0.00 C ATOM 133 CG LYS A 9 12.946 21.980 -12.395 1.00 0.00 C ATOM 134 CD LYS A 9 12.928 22.936 -11.194 1.00 0.00 C ATOM 135 CE LYS A 9 14.337 23.164 -10.644 1.00 0.00 C ATOM 136 NZ LYS A 9 14.322 23.860 -9.346 1.00 0.00 N ATOM 0 H LYS A 9 14.831 20.363 -13.685 1.00 0.00 H new ATOM 0 HA LYS A 9 12.455 21.327 -14.873 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.712 22.720 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.227 23.510 -13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.919 21.728 -12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.435 21.052 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.493 23.890 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.291 22.526 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.842 22.204 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.915 23.748 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.288 23.903 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.957 24.826 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.710 23.344 -8.682 1.00 0.00 H new ATOM 150 N GLN A 10 15.176 22.109 -16.559 1.00 0.00 N ATOM 151 CA GLN A 10 15.575 22.487 -17.916 1.00 0.00 C ATOM 152 C GLN A 10 14.870 21.612 -18.961 1.00 0.00 C ATOM 153 O GLN A 10 14.316 22.131 -19.929 1.00 0.00 O ATOM 154 CB GLN A 10 17.099 22.432 -18.078 1.00 0.00 C ATOM 155 CG GLN A 10 17.771 23.582 -17.323 1.00 0.00 C ATOM 156 CD GLN A 10 19.268 23.359 -17.173 1.00 0.00 C ATOM 157 OE1 GLN A 10 20.065 23.783 -18.002 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.649 22.682 -16.098 1.00 0.00 N ATOM 0 H GLN A 10 15.948 21.821 -15.958 1.00 0.00 H new ATOM 0 HA GLN A 10 15.263 23.518 -18.083 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.474 21.479 -17.705 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.358 22.485 -19.135 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.594 24.518 -17.853 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.318 23.684 -16.337 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.952 22.347 -15.433 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.639 22.496 -15.936 1.00 0.00 H new ATOM 167 N GLU A 11 14.871 20.290 -18.771 1.00 0.00 N ATOM 168 CA GLU A 11 14.180 19.374 -19.676 1.00 0.00 C ATOM 169 C GLU A 11 12.688 19.732 -19.775 1.00 0.00 C ATOM 170 O GLU A 11 12.131 19.827 -20.869 1.00 0.00 O ATOM 171 CB GLU A 11 14.383 17.922 -19.213 1.00 0.00 C ATOM 172 CG GLU A 11 15.857 17.490 -19.273 1.00 0.00 C ATOM 173 CD GLU A 11 16.097 16.215 -18.467 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.485 15.191 -18.838 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.873 16.291 -17.490 1.00 0.00 O ATOM 0 H GLU A 11 15.346 19.830 -17.994 1.00 0.00 H new ATOM 0 HA GLU A 11 14.606 19.473 -20.674 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.017 17.814 -18.192 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.786 17.257 -19.838 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.148 17.327 -20.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.488 18.290 -18.887 1.00 0.00 H new ATOM 182 N ILE A 12 12.041 19.951 -18.629 1.00 0.00 N ATOM 183 CA ILE A 12 10.635 20.331 -18.545 1.00 0.00 C ATOM 184 C ILE A 12 10.409 21.664 -19.272 1.00 0.00 C ATOM 185 O ILE A 12 9.443 21.793 -20.019 1.00 0.00 O ATOM 186 CB ILE A 12 10.180 20.341 -17.071 1.00 0.00 C ATOM 187 CG1 ILE A 12 10.214 18.900 -16.519 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.762 20.905 -16.902 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.038 18.827 -15.000 1.00 0.00 C ATOM 0 H ILE A 12 12.491 19.867 -17.717 1.00 0.00 H new ATOM 0 HA ILE A 12 10.011 19.596 -19.053 1.00 0.00 H new ATOM 0 HB ILE A 12 10.864 20.987 -16.521 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.427 18.317 -16.997 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.163 18.437 -16.790 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.488 20.891 -15.847 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.732 21.930 -17.271 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.058 20.295 -17.468 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.072 17.786 -14.679 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.840 19.383 -14.514 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.077 19.261 -14.724 1.00 0.00 H new ATOM 201 N ARG A 13 11.292 22.649 -19.089 1.00 0.00 N ATOM 202 CA ARG A 13 11.259 23.898 -19.844 1.00 0.00 C ATOM 203 C ARG A 13 11.330 23.613 -21.347 1.00 0.00 C ATOM 204 O ARG A 13 10.482 24.090 -22.095 1.00 0.00 O ATOM 205 CB ARG A 13 12.364 24.839 -19.338 1.00 0.00 C ATOM 206 CG ARG A 13 12.688 26.040 -20.242 1.00 0.00 C ATOM 207 CD ARG A 13 11.492 26.899 -20.671 1.00 0.00 C ATOM 208 NE ARG A 13 10.652 27.305 -19.538 1.00 0.00 N ATOM 209 CZ ARG A 13 9.695 28.239 -19.623 1.00 0.00 C ATOM 210 NH1 ARG A 13 9.420 28.821 -20.796 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.018 28.591 -18.528 1.00 0.00 N ATOM 0 H ARG A 13 12.051 22.600 -18.410 1.00 0.00 H new ATOM 0 HA ARG A 13 10.313 24.414 -19.682 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.073 25.215 -18.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.275 24.257 -19.199 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.401 26.679 -19.722 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.186 25.671 -21.139 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.855 27.788 -21.186 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.887 26.341 -21.385 1.00 0.00 H new ATOM 0 HE ARG A 13 10.805 26.852 -18.637 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.940 28.554 -21.632 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.690 29.531 -20.854 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.230 28.150 -17.633 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.288 29.301 -18.586 1.00 0.00 H new ATOM 225 N GLU A 14 12.309 22.831 -21.804 1.00 0.00 N ATOM 226 CA GLU A 14 12.441 22.484 -23.209 1.00 0.00 C ATOM 227 C GLU A 14 11.135 21.880 -23.749 1.00 0.00 C ATOM 228 O GLU A 14 10.588 22.352 -24.747 1.00 0.00 O ATOM 229 CB GLU A 14 13.639 21.540 -23.370 1.00 0.00 C ATOM 230 CG GLU A 14 14.028 21.410 -24.842 1.00 0.00 C ATOM 231 CD GLU A 14 15.238 20.499 -25.022 1.00 0.00 C ATOM 232 OE1 GLU A 14 15.100 19.303 -24.689 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.282 21.017 -25.475 1.00 0.00 O ATOM 0 H GLU A 14 13.029 22.424 -21.207 1.00 0.00 H new ATOM 0 HA GLU A 14 12.626 23.379 -23.803 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.486 21.917 -22.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.392 20.558 -22.966 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.185 21.014 -25.408 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.250 22.396 -25.249 1.00 0.00 H new ATOM 240 N ALA A 15 10.626 20.847 -23.071 1.00 0.00 N ATOM 241 CA ALA A 15 9.374 20.200 -23.438 1.00 0.00 C ATOM 242 C ALA A 15 8.236 21.223 -23.503 1.00 0.00 C ATOM 243 O ALA A 15 7.520 21.299 -24.499 1.00 0.00 O ATOM 244 CB ALA A 15 9.056 19.081 -22.443 1.00 0.00 C ATOM 0 H ALA A 15 11.076 20.439 -22.251 1.00 0.00 H new ATOM 0 HA ALA A 15 9.479 19.760 -24.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.118 18.601 -22.723 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.859 18.344 -22.455 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.964 19.500 -21.441 1.00 0.00 H new ATOM 250 N PHE A 16 8.088 22.021 -22.443 1.00 0.00 N ATOM 251 CA PHE A 16 7.078 23.063 -22.347 1.00 0.00 C ATOM 252 C PHE A 16 7.146 23.981 -23.564 1.00 0.00 C ATOM 253 O PHE A 16 6.145 24.194 -24.239 1.00 0.00 O ATOM 254 CB PHE A 16 7.245 23.861 -21.045 1.00 0.00 C ATOM 255 CG PHE A 16 6.232 24.974 -20.870 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.936 24.671 -20.415 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.556 26.300 -21.216 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.965 25.682 -20.326 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.582 27.311 -21.129 1.00 0.00 C ATOM 260 CZ PHE A 16 4.284 27.001 -20.687 1.00 0.00 C ATOM 0 H PHE A 16 8.680 21.955 -21.615 1.00 0.00 H new ATOM 0 HA PHE A 16 6.094 22.594 -22.328 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.168 23.177 -20.200 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.247 24.289 -21.019 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.687 23.659 -20.133 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.555 26.541 -21.549 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.970 25.444 -19.979 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.831 28.326 -21.402 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.534 27.776 -20.625 1.00 0.00 H new ATOM 270 N ASP A 17 8.339 24.513 -23.840 1.00 0.00 N ATOM 271 CA ASP A 17 8.600 25.414 -24.949 1.00 0.00 C ATOM 272 C ASP A 17 8.181 24.772 -26.271 1.00 0.00 C ATOM 273 O ASP A 17 7.436 25.377 -27.035 1.00 0.00 O ATOM 274 CB ASP A 17 10.082 25.804 -24.951 1.00 0.00 C ATOM 275 CG ASP A 17 10.398 26.780 -26.077 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.717 26.288 -27.182 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.318 27.999 -25.809 1.00 0.00 O ATOM 0 H ASP A 17 9.168 24.319 -23.279 1.00 0.00 H new ATOM 0 HA ASP A 17 8.008 26.321 -24.830 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.343 26.254 -23.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.695 24.909 -25.060 1.00 0.00 H new ATOM 282 N LEU A 18 8.641 23.545 -26.535 1.00 0.00 N ATOM 283 CA LEU A 18 8.272 22.840 -27.757 1.00 0.00 C ATOM 284 C LEU A 18 6.753 22.703 -27.863 1.00 0.00 C ATOM 285 O LEU A 18 6.168 23.027 -28.897 1.00 0.00 O ATOM 286 CB LEU A 18 8.971 21.476 -27.826 1.00 0.00 C ATOM 287 CG LEU A 18 8.614 20.718 -29.121 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.831 19.954 -29.636 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.472 19.712 -28.917 1.00 0.00 C ATOM 0 H LEU A 18 9.266 23.025 -25.919 1.00 0.00 H new ATOM 0 HA LEU A 18 8.609 23.425 -28.613 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.051 21.617 -27.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.685 20.876 -26.962 1.00 0.00 H new ATOM 0 HG LEU A 18 8.291 21.470 -29.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.567 19.423 -30.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.639 20.655 -29.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.157 19.238 -28.882 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.260 19.206 -29.859 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.765 18.977 -28.168 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.579 20.239 -28.580 1.00 0.00 H new ATOM 301 N PHE A 19 6.114 22.190 -26.807 1.00 0.00 N ATOM 302 CA PHE A 19 4.672 22.000 -26.807 1.00 0.00 C ATOM 303 C PHE A 19 3.949 23.331 -27.003 1.00 0.00 C ATOM 304 O PHE A 19 2.947 23.382 -27.709 1.00 0.00 O ATOM 305 CB PHE A 19 4.208 21.311 -25.520 1.00 0.00 C ATOM 306 CG PHE A 19 4.683 19.885 -25.281 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.874 18.985 -26.349 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.752 19.407 -23.959 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.181 17.637 -26.097 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.021 18.050 -23.706 1.00 0.00 C ATOM 311 CZ PHE A 19 5.265 17.170 -24.775 1.00 0.00 C ATOM 0 H PHE A 19 6.577 21.901 -25.945 1.00 0.00 H new ATOM 0 HA PHE A 19 4.419 21.350 -27.645 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.531 21.920 -24.676 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.118 21.309 -25.513 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.784 19.334 -27.367 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.597 20.086 -23.134 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.352 16.960 -26.920 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.040 17.684 -22.690 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.516 16.138 -24.580 1.00 0.00 H new ATOM 321 N ASP A 20 4.455 24.417 -26.418 1.00 0.00 N ATOM 322 CA ASP A 20 3.988 25.768 -26.695 1.00 0.00 C ATOM 323 C ASP A 20 4.511 26.210 -28.069 1.00 0.00 C ATOM 324 O ASP A 20 5.178 27.234 -28.207 1.00 0.00 O ATOM 325 CB ASP A 20 4.437 26.705 -25.566 1.00 0.00 C ATOM 326 CG ASP A 20 3.993 28.148 -25.790 1.00 0.00 C ATOM 327 OD1 ASP A 20 3.009 28.357 -26.534 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.655 29.037 -25.214 1.00 0.00 O ATOM 0 H ASP A 20 5.209 24.379 -25.732 1.00 0.00 H new ATOM 0 HA ASP A 20 2.899 25.801 -26.730 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.033 26.347 -24.619 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.523 26.672 -25.482 1.00 0.00 H new ATOM 333 N THR A 21 4.175 25.446 -29.108 1.00 0.00 N ATOM 334 CA THR A 21 4.603 25.682 -30.474 1.00 0.00 C ATOM 335 C THR A 21 4.098 27.047 -30.961 1.00 0.00 C ATOM 336 O THR A 21 4.742 27.691 -31.784 1.00 0.00 O ATOM 337 CB THR A 21 4.104 24.511 -31.338 1.00 0.00 C ATOM 338 OG1 THR A 21 3.953 23.349 -30.541 1.00 0.00 O ATOM 339 CG2 THR A 21 5.083 24.166 -32.462 1.00 0.00 C ATOM 0 H THR A 21 3.580 24.623 -29.013 1.00 0.00 H new ATOM 0 HA THR A 21 5.690 25.721 -30.546 1.00 0.00 H new ATOM 0 HB THR A 21 3.154 24.826 -31.769 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.772 23.198 -30.024 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.689 23.334 -33.045 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.214 25.033 -33.109 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.045 23.885 -32.033 1.00 0.00 H new ATOM 377 N GLY A 25 3.581 31.393 -24.312 1.00 0.00 N ATOM 378 CA GLY A 25 3.943 31.290 -22.901 1.00 0.00 C ATOM 379 C GLY A 25 2.983 30.382 -22.125 1.00 0.00 C ATOM 380 O GLY A 25 2.975 30.388 -20.897 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.958 30.902 -22.815 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.943 32.284 -22.454 1.00 0.00 H new ATOM 384 N THR A 26 2.179 29.597 -22.840 1.00 0.00 N ATOM 385 CA THR A 26 1.067 28.817 -22.337 1.00 0.00 C ATOM 386 C THR A 26 0.894 27.661 -23.316 1.00 0.00 C ATOM 387 O THR A 26 0.935 27.887 -24.523 1.00 0.00 O ATOM 388 CB THR A 26 -0.199 29.689 -22.314 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.272 30.538 -23.442 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.302 30.540 -21.045 1.00 0.00 C ATOM 0 H THR A 26 2.300 29.487 -23.847 1.00 0.00 H new ATOM 0 HA THR A 26 1.243 28.456 -21.324 1.00 0.00 H new ATOM 0 HB THR A 26 -1.035 28.990 -22.333 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.101 30.078 -24.223 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.214 31.136 -21.080 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.328 29.889 -20.171 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.562 31.201 -20.979 1.00 0.00 H new ATOM 398 N ILE A 27 0.715 26.434 -22.826 1.00 0.00 N ATOM 399 CA ILE A 27 0.327 25.332 -23.693 1.00 0.00 C ATOM 400 C ILE A 27 -1.196 25.386 -23.775 1.00 0.00 C ATOM 401 O ILE A 27 -1.868 25.043 -22.804 1.00 0.00 O ATOM 402 CB ILE A 27 0.832 23.986 -23.159 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.365 23.989 -23.114 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.355 22.849 -24.075 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.885 22.749 -22.396 1.00 0.00 C ATOM 0 H ILE A 27 0.832 26.184 -21.844 1.00 0.00 H new ATOM 0 HA ILE A 27 0.774 25.426 -24.683 1.00 0.00 H new ATOM 0 HB ILE A 27 0.437 23.833 -22.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.764 24.022 -24.128 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.717 24.885 -22.604 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.717 21.896 -23.690 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.735 22.838 -24.104 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.744 23.005 -25.081 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.975 22.771 -22.375 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.503 22.732 -21.375 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.550 21.856 -22.923 1.00 0.00 H new ATOM 417 N ASP A 28 -1.747 25.838 -24.901 1.00 0.00 N ATOM 418 CA ASP A 28 -3.188 25.808 -25.115 1.00 0.00 C ATOM 419 C ASP A 28 -3.682 24.358 -25.100 1.00 0.00 C ATOM 420 O ASP A 28 -2.951 23.460 -25.512 1.00 0.00 O ATOM 421 CB ASP A 28 -3.524 26.496 -26.444 1.00 0.00 C ATOM 422 CG ASP A 28 -5.024 26.475 -26.730 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.476 25.460 -27.302 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.690 27.464 -26.359 1.00 0.00 O ATOM 0 H ASP A 28 -1.214 26.229 -25.678 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.693 26.347 -24.314 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.173 27.528 -26.418 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.992 25.999 -27.255 1.00 0.00 H new ATOM 429 N ALA A 29 -4.921 24.126 -24.662 1.00 0.00 N ATOM 430 CA ALA A 29 -5.587 22.827 -24.691 1.00 0.00 C ATOM 431 C ALA A 29 -5.267 22.020 -25.958 1.00 0.00 C ATOM 432 O ALA A 29 -4.902 20.849 -25.870 1.00 0.00 O ATOM 433 CB ALA A 29 -7.097 23.039 -24.552 1.00 0.00 C ATOM 0 H ALA A 29 -5.505 24.862 -24.265 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.210 22.238 -23.855 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.603 22.074 -24.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.309 23.540 -23.607 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.455 23.654 -25.377 1.00 0.00 H new ATOM 439 N LYS A 30 -5.379 22.643 -27.134 1.00 0.00 N ATOM 440 CA LYS A 30 -5.058 22.000 -28.404 1.00 0.00 C ATOM 441 C LYS A 30 -3.608 21.503 -28.418 1.00 0.00 C ATOM 442 O LYS A 30 -3.333 20.359 -28.778 1.00 0.00 O ATOM 443 CB LYS A 30 -5.300 22.983 -29.557 1.00 0.00 C ATOM 444 CG LYS A 30 -6.780 23.374 -29.671 1.00 0.00 C ATOM 445 CD LYS A 30 -7.043 24.297 -30.870 1.00 0.00 C ATOM 446 CE LYS A 30 -6.413 25.685 -30.688 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.786 26.589 -31.790 1.00 0.00 N ATOM 0 H LYS A 30 -5.695 23.608 -27.229 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.708 21.134 -28.530 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.698 23.879 -29.403 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.970 22.534 -30.493 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.386 22.473 -29.768 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.094 23.873 -28.754 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.645 23.836 -31.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.118 24.405 -31.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.736 26.112 -29.739 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.328 25.591 -30.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.346 27.519 -31.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.456 26.191 -32.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.820 26.696 -31.817 1.00 0.00 H new ATOM 461 N GLU A 31 -2.670 22.363 -28.014 1.00 0.00 N ATOM 462 CA GLU A 31 -1.260 22.019 -27.949 1.00 0.00 C ATOM 463 C GLU A 31 -1.039 20.889 -26.938 1.00 0.00 C ATOM 464 O GLU A 31 -0.239 19.986 -27.175 1.00 0.00 O ATOM 465 CB GLU A 31 -0.436 23.257 -27.585 1.00 0.00 C ATOM 466 CG GLU A 31 -0.502 24.361 -28.647 1.00 0.00 C ATOM 467 CD GLU A 31 0.274 25.596 -28.196 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.169 26.201 -27.194 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.294 25.909 -28.847 1.00 0.00 O ATOM 0 H GLU A 31 -2.875 23.319 -27.723 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.930 21.666 -28.926 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.791 23.655 -26.634 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.604 22.964 -27.440 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.092 23.992 -29.587 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.542 24.628 -28.836 1.00 0.00 H new ATOM 476 N LEU A 32 -1.751 20.921 -25.807 1.00 0.00 N ATOM 477 CA LEU A 32 -1.666 19.849 -24.823 1.00 0.00 C ATOM 478 C LEU A 32 -2.175 18.540 -25.434 1.00 0.00 C ATOM 479 O LEU A 32 -1.575 17.489 -25.232 1.00 0.00 O ATOM 480 CB LEU A 32 -2.427 20.210 -23.539 1.00 0.00 C ATOM 481 CG LEU A 32 -1.857 19.483 -22.305 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.535 20.094 -21.816 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.896 19.535 -21.180 1.00 0.00 C ATOM 0 H LEU A 32 -2.389 21.676 -25.555 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.622 19.712 -24.543 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.378 21.287 -23.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.480 19.953 -23.657 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.643 18.453 -22.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.179 19.543 -20.945 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.209 20.036 -22.611 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.695 21.137 -21.544 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.505 19.024 -20.300 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.111 20.574 -20.931 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.812 19.044 -21.508 1.00 0.00 H new ATOM 495 N LYS A 33 -3.272 18.588 -26.194 1.00 0.00 N ATOM 496 CA LYS A 33 -3.771 17.425 -26.912 1.00 0.00 C ATOM 497 C LYS A 33 -2.712 16.904 -27.889 1.00 0.00 C ATOM 498 O LYS A 33 -2.437 15.707 -27.895 1.00 0.00 O ATOM 499 CB LYS A 33 -5.116 17.749 -27.571 1.00 0.00 C ATOM 500 CG LYS A 33 -5.756 16.518 -28.228 1.00 0.00 C ATOM 501 CD LYS A 33 -7.004 16.886 -29.044 1.00 0.00 C ATOM 502 CE LYS A 33 -8.108 17.570 -28.225 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.535 16.749 -27.078 1.00 0.00 N ATOM 0 H LYS A 33 -3.832 19.430 -26.325 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.961 16.610 -26.214 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.797 18.153 -26.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.972 18.525 -28.323 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.027 16.034 -28.878 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.026 15.795 -27.458 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.710 17.546 -29.860 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.409 15.981 -29.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.748 18.534 -27.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.966 17.769 -28.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.316 17.224 -26.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.855 15.819 -27.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.736 16.623 -26.425 1.00 0.00 H new ATOM 517 N VAL A 34 -2.097 17.781 -28.691 1.00 0.00 N ATOM 518 CA VAL A 34 -0.972 17.407 -29.550 1.00 0.00 C ATOM 519 C VAL A 34 0.108 16.694 -28.726 1.00 0.00 C ATOM 520 O VAL A 34 0.538 15.596 -29.080 1.00 0.00 O ATOM 521 CB VAL A 34 -0.426 18.641 -30.296 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.944 18.391 -30.947 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.417 19.082 -31.381 1.00 0.00 C ATOM 0 H VAL A 34 -2.364 18.763 -28.761 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.316 16.705 -30.310 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.300 19.423 -29.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.275 19.296 -31.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.668 18.122 -30.178 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.861 17.578 -31.668 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.022 19.954 -31.902 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.563 18.269 -32.093 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.372 19.336 -30.920 1.00 0.00 H new ATOM 533 N ALA A 35 0.538 17.308 -27.619 1.00 0.00 N ATOM 534 CA ALA A 35 1.533 16.736 -26.725 1.00 0.00 C ATOM 535 C ALA A 35 1.124 15.328 -26.288 1.00 0.00 C ATOM 536 O ALA A 35 1.885 14.382 -26.446 1.00 0.00 O ATOM 537 CB ALA A 35 1.749 17.652 -25.518 1.00 0.00 C ATOM 0 H ALA A 35 0.199 18.223 -27.322 1.00 0.00 H new ATOM 0 HA ALA A 35 2.478 16.653 -27.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.496 17.213 -24.857 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.095 18.628 -25.859 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.810 17.769 -24.977 1.00 0.00 H new ATOM 543 N MET A 36 -0.089 15.176 -25.759 1.00 0.00 N ATOM 544 CA MET A 36 -0.613 13.895 -25.309 1.00 0.00 C ATOM 545 C MET A 36 -0.659 12.875 -26.449 1.00 0.00 C ATOM 546 O MET A 36 -0.303 11.714 -26.250 1.00 0.00 O ATOM 547 CB MET A 36 -1.952 14.116 -24.602 1.00 0.00 C ATOM 548 CG MET A 36 -1.679 14.731 -23.221 1.00 0.00 C ATOM 549 SD MET A 36 -3.121 15.001 -22.168 1.00 0.00 S ATOM 550 CE MET A 36 -3.931 16.297 -23.120 1.00 0.00 C ATOM 0 H MET A 36 -0.740 15.950 -25.631 1.00 0.00 H new ATOM 0 HA MET A 36 0.061 13.452 -24.576 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.587 14.777 -25.192 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.485 13.171 -24.497 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.983 14.082 -22.689 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.177 15.687 -23.365 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.782 16.682 -22.559 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.225 17.106 -23.308 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.277 15.889 -24.070 1.00 0.00 H new ATOM 560 N ARG A 37 -1.041 13.296 -27.655 1.00 0.00 N ATOM 561 CA ARG A 37 -0.965 12.440 -28.829 1.00 0.00 C ATOM 562 C ARG A 37 0.482 11.963 -29.015 1.00 0.00 C ATOM 563 O ARG A 37 0.734 10.765 -29.115 1.00 0.00 O ATOM 564 CB ARG A 37 -1.504 13.181 -30.065 1.00 0.00 C ATOM 565 CG ARG A 37 -2.139 12.248 -31.104 1.00 0.00 C ATOM 566 CD ARG A 37 -1.195 11.145 -31.598 1.00 0.00 C ATOM 567 NE ARG A 37 -1.757 10.452 -32.763 1.00 0.00 N ATOM 568 CZ ARG A 37 -1.699 10.898 -34.027 1.00 0.00 C ATOM 569 NH1 ARG A 37 -1.118 12.070 -34.302 1.00 0.00 N ATOM 570 NH2 ARG A 37 -2.226 10.162 -35.009 1.00 0.00 N ATOM 0 H ARG A 37 -1.407 14.230 -27.840 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.592 11.559 -28.693 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.244 13.915 -29.746 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.689 13.733 -30.533 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.027 11.787 -30.672 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.470 12.840 -31.957 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.230 11.578 -31.859 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.016 10.429 -30.796 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.228 9.562 -32.599 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.716 12.629 -33.549 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.076 12.405 -35.264 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.668 9.268 -34.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.186 10.494 -35.973 1.00 0.00 H new ATOM 584 N ALA A 38 1.446 12.890 -29.023 1.00 0.00 N ATOM 585 CA ALA A 38 2.863 12.555 -29.144 1.00 0.00 C ATOM 586 C ALA A 38 3.325 11.612 -28.023 1.00 0.00 C ATOM 587 O ALA A 38 4.107 10.697 -28.269 1.00 0.00 O ATOM 588 CB ALA A 38 3.708 13.831 -29.190 1.00 0.00 C ATOM 0 H ALA A 38 1.263 13.891 -28.946 1.00 0.00 H new ATOM 0 HA ALA A 38 3.003 12.017 -30.082 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.762 13.567 -29.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.410 14.434 -30.048 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.554 14.402 -28.275 1.00 0.00 H new ATOM 594 N LEU A 39 2.821 11.811 -26.802 1.00 0.00 N ATOM 595 CA LEU A 39 3.075 10.945 -25.652 1.00 0.00 C ATOM 596 C LEU A 39 2.356 9.590 -25.775 1.00 0.00 C ATOM 597 O LEU A 39 2.495 8.748 -24.891 1.00 0.00 O ATOM 598 CB LEU A 39 2.648 11.656 -24.356 1.00 0.00 C ATOM 599 CG LEU A 39 3.460 12.921 -24.016 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.688 13.804 -23.023 1.00 0.00 C ATOM 601 CD2 LEU A 39 4.817 12.547 -23.409 1.00 0.00 C ATOM 0 H LEU A 39 2.211 12.598 -26.583 1.00 0.00 H new ATOM 0 HA LEU A 39 4.146 10.742 -25.624 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.595 11.928 -24.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.733 10.953 -23.527 1.00 0.00 H new ATOM 0 HG LEU A 39 3.622 13.473 -24.942 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.276 14.693 -22.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.737 14.102 -23.464 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.503 13.245 -22.106 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.374 13.455 -23.176 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.661 11.973 -22.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.382 11.947 -24.123 1.00 0.00 H new ATOM 613 N GLY A 40 1.585 9.359 -26.843 1.00 0.00 N ATOM 614 CA GLY A 40 0.908 8.096 -27.089 1.00 0.00 C ATOM 615 C GLY A 40 -0.282 7.893 -26.154 1.00 0.00 C ATOM 616 O GLY A 40 -0.625 6.759 -25.830 1.00 0.00 O ATOM 0 H GLY A 40 1.416 10.058 -27.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.566 8.064 -28.123 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.614 7.275 -26.961 1.00 0.00 H new ATOM 620 N PHE A 41 -0.924 8.983 -25.724 1.00 0.00 N ATOM 621 CA PHE A 41 -2.154 8.910 -24.945 1.00 0.00 C ATOM 622 C PHE A 41 -3.336 8.698 -25.892 1.00 0.00 C ATOM 623 O PHE A 41 -3.213 8.864 -27.104 1.00 0.00 O ATOM 624 CB PHE A 41 -2.368 10.219 -24.170 1.00 0.00 C ATOM 625 CG PHE A 41 -1.478 10.503 -22.966 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.230 9.871 -22.786 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.911 11.449 -22.016 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.581 10.203 -21.687 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.100 11.781 -20.918 1.00 0.00 C ATOM 630 CZ PHE A 41 0.152 11.164 -20.757 1.00 0.00 C ATOM 0 H PHE A 41 -0.604 9.934 -25.907 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.080 8.081 -24.241 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.249 11.044 -24.873 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.403 10.237 -23.829 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.104 9.129 -23.496 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.874 11.923 -22.133 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.537 9.718 -21.557 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.439 12.511 -20.197 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.782 11.428 -19.921 1.00 0.00 H new ATOM 640 N GLU A 42 -4.503 8.399 -25.314 1.00 0.00 N ATOM 641 CA GLU A 42 -5.786 8.365 -26.001 1.00 0.00 C ATOM 642 C GLU A 42 -6.624 9.547 -25.488 1.00 0.00 C ATOM 643 O GLU A 42 -7.121 9.472 -24.366 1.00 0.00 O ATOM 644 CB GLU A 42 -6.497 7.033 -25.715 1.00 0.00 C ATOM 645 CG GLU A 42 -5.728 5.807 -26.238 1.00 0.00 C ATOM 646 CD GLU A 42 -4.504 5.430 -25.402 1.00 0.00 C ATOM 647 OE1 GLU A 42 -4.551 5.659 -24.173 1.00 0.00 O ATOM 648 OE2 GLU A 42 -3.551 4.899 -26.011 1.00 0.00 O ATOM 0 H GLU A 42 -4.577 8.167 -24.323 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.648 8.446 -27.079 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.642 6.930 -24.640 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.487 7.053 -26.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.406 4.955 -26.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.408 6.002 -27.262 1.00 0.00 H new ATOM 655 N PRO A 43 -6.764 10.640 -26.255 1.00 0.00 N ATOM 656 CA PRO A 43 -7.577 11.797 -25.897 1.00 0.00 C ATOM 657 C PRO A 43 -9.064 11.512 -25.614 1.00 0.00 C ATOM 658 O PRO A 43 -9.935 11.885 -26.399 1.00 0.00 O ATOM 659 CB PRO A 43 -7.389 12.793 -27.049 1.00 0.00 C ATOM 660 CG PRO A 43 -5.972 12.493 -27.526 1.00 0.00 C ATOM 661 CD PRO A 43 -5.890 10.976 -27.369 1.00 0.00 C ATOM 0 HA PRO A 43 -7.239 12.186 -24.936 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.123 12.640 -27.840 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.493 13.825 -26.713 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.816 12.804 -28.559 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.223 13.005 -26.923 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.209 10.472 -28.281 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.866 10.659 -27.171 1.00 0.00 H new ATOM 669 N LYS A 44 -9.377 10.914 -24.460 1.00 0.00 N ATOM 670 CA LYS A 44 -10.744 10.785 -23.967 1.00 0.00 C ATOM 671 C LYS A 44 -11.275 12.188 -23.646 1.00 0.00 C ATOM 672 O LYS A 44 -11.189 12.639 -22.507 1.00 0.00 O ATOM 673 CB LYS A 44 -10.797 9.880 -22.723 1.00 0.00 C ATOM 674 CG LYS A 44 -10.915 8.380 -23.025 1.00 0.00 C ATOM 675 CD LYS A 44 -9.667 7.789 -23.688 1.00 0.00 C ATOM 676 CE LYS A 44 -9.807 6.275 -23.894 1.00 0.00 C ATOM 677 NZ LYS A 44 -9.859 5.545 -22.614 1.00 0.00 N ATOM 0 H LYS A 44 -8.679 10.504 -23.839 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.368 10.319 -24.729 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.898 10.048 -22.130 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.645 10.181 -22.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.111 7.845 -22.096 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.774 8.215 -23.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.499 8.275 -24.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.793 7.994 -23.070 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.712 6.069 -24.466 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.967 5.911 -24.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.715 4.530 -22.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.112 5.898 -21.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.787 5.692 -22.168 1.00 0.00 H new ATOM 691 N LYS A 45 -11.806 12.870 -24.665 1.00 0.00 N ATOM 692 CA LYS A 45 -12.235 14.267 -24.661 1.00 0.00 C ATOM 693 C LYS A 45 -12.758 14.757 -23.302 1.00 0.00 C ATOM 694 O LYS A 45 -12.261 15.748 -22.774 1.00 0.00 O ATOM 695 CB LYS A 45 -13.291 14.490 -25.759 1.00 0.00 C ATOM 696 CG LYS A 45 -12.903 13.963 -27.151 1.00 0.00 C ATOM 697 CD LYS A 45 -11.589 14.560 -27.676 1.00 0.00 C ATOM 698 CE LYS A 45 -11.295 14.016 -29.078 1.00 0.00 C ATOM 699 NZ LYS A 45 -10.042 14.566 -29.619 1.00 0.00 N ATOM 0 H LYS A 45 -11.956 12.430 -25.573 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.346 14.864 -24.866 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.220 14.010 -25.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.494 15.558 -25.835 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.811 12.878 -27.109 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.704 14.188 -27.855 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.659 15.647 -27.705 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.770 14.311 -27.000 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.230 12.929 -29.041 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.120 14.263 -29.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.874 14.177 -30.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.114 15.602 -29.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.251 14.308 -28.994 1.00 0.00 H new ATOM 713 N GLU A 46 -13.756 14.080 -22.731 1.00 0.00 N ATOM 714 CA GLU A 46 -14.332 14.471 -21.449 1.00 0.00 C ATOM 715 C GLU A 46 -13.272 14.475 -20.337 1.00 0.00 C ATOM 716 O GLU A 46 -13.151 15.442 -19.585 1.00 0.00 O ATOM 717 CB GLU A 46 -15.495 13.534 -21.094 1.00 0.00 C ATOM 718 CG GLU A 46 -16.629 13.611 -22.127 1.00 0.00 C ATOM 719 CD GLU A 46 -17.797 12.715 -21.728 1.00 0.00 C ATOM 720 OE1 GLU A 46 -17.665 11.491 -21.941 1.00 0.00 O ATOM 721 OE2 GLU A 46 -18.789 13.268 -21.206 1.00 0.00 O ATOM 0 H GLU A 46 -14.183 13.251 -23.143 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.712 15.489 -21.538 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.129 12.509 -21.032 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.883 13.794 -20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.972 14.642 -22.219 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.254 13.311 -23.106 1.00 0.00 H new ATOM 728 N GLU A 47 -12.503 13.390 -20.239 1.00 0.00 N ATOM 729 CA GLU A 47 -11.453 13.242 -19.242 1.00 0.00 C ATOM 730 C GLU A 47 -10.383 14.311 -19.465 1.00 0.00 C ATOM 731 O GLU A 47 -9.924 14.941 -18.517 1.00 0.00 O ATOM 732 CB GLU A 47 -10.844 11.834 -19.316 1.00 0.00 C ATOM 733 CG GLU A 47 -11.891 10.732 -19.081 1.00 0.00 C ATOM 734 CD GLU A 47 -11.312 9.330 -19.268 1.00 0.00 C ATOM 735 OE1 GLU A 47 -10.078 9.189 -19.128 1.00 0.00 O ATOM 736 OE2 GLU A 47 -12.120 8.422 -19.563 1.00 0.00 O ATOM 0 H GLU A 47 -12.596 12.584 -20.857 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.878 13.373 -18.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.382 11.691 -20.293 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.052 11.744 -18.573 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.292 10.825 -18.072 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.724 10.873 -19.770 1.00 0.00 H new ATOM 743 N ILE A 48 -10.004 14.526 -20.727 1.00 0.00 N ATOM 744 CA ILE A 48 -9.059 15.564 -21.116 1.00 0.00 C ATOM 745 C ILE A 48 -9.546 16.927 -20.612 1.00 0.00 C ATOM 746 O ILE A 48 -8.804 17.626 -19.926 1.00 0.00 O ATOM 747 CB ILE A 48 -8.846 15.527 -22.642 1.00 0.00 C ATOM 748 CG1 ILE A 48 -8.177 14.216 -23.098 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.059 16.745 -23.145 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.672 14.159 -22.821 1.00 0.00 C ATOM 0 H ILE A 48 -10.351 13.976 -21.513 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.088 15.385 -20.654 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.838 15.568 -23.092 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.661 13.379 -22.596 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.345 14.086 -24.167 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.933 16.676 -24.226 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.604 17.657 -22.901 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.080 16.769 -22.666 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.274 13.206 -23.170 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.174 14.975 -23.346 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.495 14.256 -21.750 1.00 0.00 H new ATOM 762 N LYS A 49 -10.787 17.306 -20.934 1.00 0.00 N ATOM 763 CA LYS A 49 -11.365 18.565 -20.481 1.00 0.00 C ATOM 764 C LYS A 49 -11.316 18.672 -18.955 1.00 0.00 C ATOM 765 O LYS A 49 -10.846 19.681 -18.425 1.00 0.00 O ATOM 766 CB LYS A 49 -12.802 18.710 -20.997 1.00 0.00 C ATOM 767 CG LYS A 49 -12.831 19.001 -22.502 1.00 0.00 C ATOM 768 CD LYS A 49 -14.284 19.045 -22.992 1.00 0.00 C ATOM 769 CE LYS A 49 -14.376 19.436 -24.472 1.00 0.00 C ATOM 770 NZ LYS A 49 -13.744 18.433 -25.345 1.00 0.00 N ATOM 0 H LYS A 49 -11.413 16.748 -21.514 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.771 19.382 -20.890 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.358 17.795 -20.791 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.303 19.515 -20.460 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.339 19.951 -22.708 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.278 18.232 -23.042 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.747 18.069 -22.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.848 19.759 -22.392 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.423 19.553 -24.752 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.896 20.403 -24.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.167 18.483 -26.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.724 18.623 -25.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.895 17.483 -24.949 1.00 0.00 H new ATOM 784 N LYS A 50 -11.797 17.645 -18.246 1.00 0.00 N ATOM 785 CA LYS A 50 -11.763 17.630 -16.788 1.00 0.00 C ATOM 786 C LYS A 50 -10.338 17.882 -16.283 1.00 0.00 C ATOM 787 O LYS A 50 -10.108 18.821 -15.523 1.00 0.00 O ATOM 788 CB LYS A 50 -12.323 16.304 -16.251 1.00 0.00 C ATOM 789 CG LYS A 50 -13.838 16.158 -16.465 1.00 0.00 C ATOM 790 CD LYS A 50 -14.641 16.962 -15.430 1.00 0.00 C ATOM 791 CE LYS A 50 -16.153 16.840 -15.663 1.00 0.00 C ATOM 792 NZ LYS A 50 -16.634 15.458 -15.490 1.00 0.00 N ATOM 0 H LYS A 50 -12.215 16.814 -18.664 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.396 18.434 -16.413 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.811 15.476 -16.741 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.104 16.229 -15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.098 16.496 -17.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.114 15.106 -16.401 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.398 16.609 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.349 18.011 -15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.680 17.495 -14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.392 17.183 -16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.673 15.446 -15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.256 14.861 -16.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.312 15.091 -14.572 1.00 0.00 H new ATOM 806 N MET A 51 -9.377 17.070 -16.729 1.00 0.00 N ATOM 807 CA MET A 51 -7.987 17.180 -16.333 1.00 0.00 C ATOM 808 C MET A 51 -7.460 18.595 -16.591 1.00 0.00 C ATOM 809 O MET A 51 -6.970 19.251 -15.673 1.00 0.00 O ATOM 810 CB MET A 51 -7.200 16.083 -17.064 1.00 0.00 C ATOM 811 CG MET A 51 -5.770 15.943 -16.538 1.00 0.00 C ATOM 812 SD MET A 51 -4.563 17.173 -17.098 1.00 0.00 S ATOM 813 CE MET A 51 -4.415 16.730 -18.842 1.00 0.00 C ATOM 0 H MET A 51 -9.554 16.309 -17.385 1.00 0.00 H new ATOM 0 HA MET A 51 -7.867 17.024 -15.261 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.720 15.131 -16.953 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.172 16.309 -18.130 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.805 15.974 -15.449 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.402 14.956 -16.817 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.361 16.685 -19.118 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.876 15.757 -19.011 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.918 17.481 -19.452 1.00 0.00 H new ATOM 823 N ILE A 52 -7.596 19.089 -17.826 1.00 0.00 N ATOM 824 CA ILE A 52 -7.184 20.442 -18.184 1.00 0.00 C ATOM 825 C ILE A 52 -7.790 21.446 -17.203 1.00 0.00 C ATOM 826 O ILE A 52 -7.075 22.300 -16.689 1.00 0.00 O ATOM 827 CB ILE A 52 -7.545 20.750 -19.652 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.601 19.948 -20.568 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.431 22.252 -19.966 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.000 20.007 -22.044 1.00 0.00 C ATOM 0 H ILE A 52 -7.995 18.560 -18.601 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.100 20.526 -18.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.582 20.462 -19.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.586 20.330 -20.457 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.587 18.908 -20.243 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.693 22.427 -21.009 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.111 22.811 -19.323 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.408 22.584 -19.789 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.295 19.422 -22.635 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.003 19.598 -22.166 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.986 21.043 -22.383 1.00 0.00 H new ATOM 842 N SER A 53 -9.088 21.337 -16.916 1.00 0.00 N ATOM 843 CA SER A 53 -9.740 22.233 -15.970 1.00 0.00 C ATOM 844 C SER A 53 -9.095 22.144 -14.585 1.00 0.00 C ATOM 845 O SER A 53 -8.779 23.169 -13.987 1.00 0.00 O ATOM 846 CB SER A 53 -11.244 21.943 -15.908 1.00 0.00 C ATOM 847 OG SER A 53 -11.808 21.976 -17.205 1.00 0.00 O ATOM 0 H SER A 53 -9.705 20.636 -17.327 1.00 0.00 H new ATOM 0 HA SER A 53 -9.607 23.256 -16.321 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.414 20.966 -15.456 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.736 22.679 -15.272 1.00 0.00 H new ATOM 0 HG SER A 53 -11.565 21.159 -17.688 1.00 0.00 H new ATOM 853 N GLU A 54 -8.886 20.927 -14.075 1.00 0.00 N ATOM 854 CA GLU A 54 -8.250 20.715 -12.782 1.00 0.00 C ATOM 855 C GLU A 54 -6.870 21.380 -12.728 1.00 0.00 C ATOM 856 O GLU A 54 -6.522 21.986 -11.717 1.00 0.00 O ATOM 857 CB GLU A 54 -8.155 19.215 -12.476 1.00 0.00 C ATOM 858 CG GLU A 54 -9.539 18.601 -12.222 1.00 0.00 C ATOM 859 CD GLU A 54 -9.458 17.081 -12.146 1.00 0.00 C ATOM 860 OE1 GLU A 54 -8.984 16.592 -11.097 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.863 16.436 -13.138 1.00 0.00 O ATOM 0 H GLU A 54 -9.154 20.065 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.867 21.183 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.677 18.702 -13.311 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.522 19.061 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.949 18.994 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.222 18.893 -13.020 1.00 0.00 H new ATOM 868 N ILE A 55 -6.073 21.261 -13.793 1.00 0.00 N ATOM 869 CA ILE A 55 -4.737 21.849 -13.829 1.00 0.00 C ATOM 870 C ILE A 55 -4.792 23.368 -14.067 1.00 0.00 C ATOM 871 O ILE A 55 -3.961 24.104 -13.533 1.00 0.00 O ATOM 872 CB ILE A 55 -3.874 21.126 -14.881 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.767 19.609 -14.632 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.464 21.726 -14.967 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.161 19.203 -13.285 1.00 0.00 C ATOM 0 H ILE A 55 -6.333 20.761 -14.643 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.269 21.711 -12.855 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.389 21.276 -15.830 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.764 19.175 -14.708 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.166 19.169 -15.428 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.886 21.190 -15.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.533 22.778 -15.244 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.971 21.637 -13.999 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.132 18.116 -13.212 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.149 19.599 -13.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.771 19.605 -12.476 1.00 0.00 H new ATOM 887 N ASP A 56 -5.746 23.852 -14.867 1.00 0.00 N ATOM 888 CA ASP A 56 -5.784 25.239 -15.308 1.00 0.00 C ATOM 889 C ASP A 56 -6.480 26.126 -14.271 1.00 0.00 C ATOM 890 O ASP A 56 -7.685 26.357 -14.339 1.00 0.00 O ATOM 891 CB ASP A 56 -6.457 25.337 -16.683 1.00 0.00 C ATOM 892 CG ASP A 56 -6.397 26.747 -17.264 1.00 0.00 C ATOM 893 OD1 ASP A 56 -5.977 27.666 -16.526 1.00 0.00 O ATOM 894 OD2 ASP A 56 -6.798 26.883 -18.440 1.00 0.00 O ATOM 0 H ASP A 56 -6.515 23.286 -15.226 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.762 25.604 -15.406 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.974 24.643 -17.371 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.498 25.027 -16.597 1.00 0.00 H new ATOM 899 N LYS A 57 -5.695 26.714 -13.370 1.00 0.00 N ATOM 900 CA LYS A 57 -6.156 27.625 -12.331 1.00 0.00 C ATOM 901 C LYS A 57 -6.880 28.865 -12.878 1.00 0.00 C ATOM 902 O LYS A 57 -7.632 29.490 -12.134 1.00 0.00 O ATOM 903 CB LYS A 57 -4.964 28.054 -11.465 1.00 0.00 C ATOM 904 CG LYS A 57 -4.180 26.898 -10.817 1.00 0.00 C ATOM 905 CD LYS A 57 -4.999 26.109 -9.782 1.00 0.00 C ATOM 906 CE LYS A 57 -5.650 24.833 -10.338 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.650 23.843 -10.768 1.00 0.00 N ATOM 0 H LYS A 57 -4.687 26.562 -13.345 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.889 27.081 -11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.279 28.638 -12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.326 28.714 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.841 26.216 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.288 27.299 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.349 25.839 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.779 26.757 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.291 24.392 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.290 25.091 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.106 22.915 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.239 24.137 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.897 23.777 -10.053 1.00 0.00 H new ATOM 951 N GLY A 61 -8.450 27.403 -20.844 1.00 0.00 N ATOM 952 CA GLY A 61 -7.908 26.307 -21.638 1.00 0.00 C ATOM 953 C GLY A 61 -6.419 26.439 -21.967 1.00 0.00 C ATOM 954 O GLY A 61 -6.026 26.176 -23.102 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.067 25.372 -21.101 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.469 26.238 -22.570 1.00 0.00 H new ATOM 958 N THR A 62 -5.590 26.818 -20.989 1.00 0.00 N ATOM 959 CA THR A 62 -4.157 27.013 -21.167 1.00 0.00 C ATOM 960 C THR A 62 -3.415 26.525 -19.923 1.00 0.00 C ATOM 961 O THR A 62 -3.834 26.798 -18.801 1.00 0.00 O ATOM 962 CB THR A 62 -3.840 28.494 -21.441 1.00 0.00 C ATOM 963 OG1 THR A 62 -4.712 29.342 -20.724 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.945 28.867 -22.923 1.00 0.00 C ATOM 0 H THR A 62 -5.907 27.000 -20.037 1.00 0.00 H new ATOM 0 HA THR A 62 -3.825 26.434 -22.029 1.00 0.00 H new ATOM 0 HB THR A 62 -2.809 28.631 -21.115 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.489 30.277 -20.914 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.710 29.924 -23.050 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.241 28.267 -23.500 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.959 28.676 -23.275 1.00 0.00 H new ATOM 972 N ILE A 63 -2.313 25.797 -20.121 1.00 0.00 N ATOM 973 CA ILE A 63 -1.435 25.352 -19.050 1.00 0.00 C ATOM 974 C ILE A 63 -0.204 26.264 -19.040 1.00 0.00 C ATOM 975 O ILE A 63 0.591 26.240 -19.981 1.00 0.00 O ATOM 976 CB ILE A 63 -1.046 23.874 -19.254 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.237 22.961 -19.595 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.299 23.343 -18.025 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.387 23.019 -18.587 1.00 0.00 C ATOM 0 H ILE A 63 -2.006 25.499 -21.047 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.940 25.416 -18.086 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.389 23.851 -20.123 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.618 23.234 -20.579 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.883 21.933 -19.665 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.032 22.299 -18.185 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.606 23.929 -17.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.940 23.423 -17.147 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.183 22.346 -18.904 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.025 22.716 -17.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.773 24.037 -18.533 1.00 0.00 H new ATOM 991 N ASP A 64 -0.047 27.075 -17.992 1.00 0.00 N ATOM 992 CA ASP A 64 1.167 27.847 -17.751 1.00 0.00 C ATOM 993 C ASP A 64 2.304 26.912 -17.319 1.00 0.00 C ATOM 994 O ASP A 64 2.054 25.823 -16.808 1.00 0.00 O ATOM 995 CB ASP A 64 0.895 28.909 -16.674 1.00 0.00 C ATOM 996 CG ASP A 64 2.171 29.647 -16.277 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.580 30.534 -17.055 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.754 29.261 -15.239 1.00 0.00 O ATOM 0 H ASP A 64 -0.767 27.213 -17.283 1.00 0.00 H new ATOM 0 HA ASP A 64 1.468 28.350 -18.670 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.161 29.624 -17.045 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.461 28.433 -15.795 1.00 0.00 H new ATOM 1003 N PHE A 65 3.556 27.350 -17.489 1.00 0.00 N ATOM 1004 CA PHE A 65 4.737 26.593 -17.087 1.00 0.00 C ATOM 1005 C PHE A 65 4.639 26.080 -15.649 1.00 0.00 C ATOM 1006 O PHE A 65 4.879 24.901 -15.399 1.00 0.00 O ATOM 1007 CB PHE A 65 5.994 27.448 -17.262 1.00 0.00 C ATOM 1008 CG PHE A 65 7.259 26.760 -16.788 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.714 25.606 -17.450 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.982 27.263 -15.690 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.927 25.006 -17.071 1.00 0.00 C ATOM 1012 CE2 PHE A 65 9.194 26.661 -15.309 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.675 25.541 -16.010 1.00 0.00 C ATOM 0 H PHE A 65 3.776 28.251 -17.915 1.00 0.00 H new ATOM 0 HA PHE A 65 4.798 25.719 -17.735 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.104 27.709 -18.315 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.869 28.382 -16.713 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.130 25.180 -18.252 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.605 28.112 -15.140 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.284 24.133 -17.596 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.756 27.059 -14.477 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.618 25.093 -15.733 1.00 0.00 H new ATOM 1023 N GLU A 66 4.274 26.950 -14.702 1.00 0.00 N ATOM 1024 CA GLU A 66 4.162 26.553 -13.306 1.00 0.00 C ATOM 1025 C GLU A 66 3.149 25.416 -13.158 1.00 0.00 C ATOM 1026 O GLU A 66 3.397 24.448 -12.442 1.00 0.00 O ATOM 1027 CB GLU A 66 3.782 27.760 -12.437 1.00 0.00 C ATOM 1028 CG GLU A 66 4.868 28.845 -12.474 1.00 0.00 C ATOM 1029 CD GLU A 66 4.539 30.006 -11.538 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.462 30.609 -11.741 1.00 0.00 O ATOM 1031 OE2 GLU A 66 5.366 30.267 -10.639 1.00 0.00 O ATOM 0 H GLU A 66 4.053 27.929 -14.882 1.00 0.00 H new ATOM 0 HA GLU A 66 5.129 26.186 -12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.837 28.177 -12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.626 27.434 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.827 28.410 -12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.975 29.218 -13.493 1.00 0.00 H new ATOM 1038 N GLU A 67 2.014 25.518 -13.852 1.00 0.00 N ATOM 1039 CA GLU A 67 0.973 24.503 -13.815 1.00 0.00 C ATOM 1040 C GLU A 67 1.492 23.194 -14.417 1.00 0.00 C ATOM 1041 O GLU A 67 1.312 22.131 -13.827 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.278 25.009 -14.540 1.00 0.00 C ATOM 1043 CG GLU A 67 -0.836 26.286 -13.896 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.040 26.819 -14.664 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -1.912 26.939 -15.902 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.058 27.107 -14.002 1.00 0.00 O ATOM 0 H GLU A 67 1.795 26.311 -14.455 1.00 0.00 H new ATOM 0 HA GLU A 67 0.697 24.302 -12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.038 25.205 -15.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.043 24.233 -14.529 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.123 26.079 -12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.058 27.048 -13.863 1.00 0.00 H new ATOM 1053 N PHE A 68 2.160 23.270 -15.572 1.00 0.00 N ATOM 1054 CA PHE A 68 2.783 22.126 -16.229 1.00 0.00 C ATOM 1055 C PHE A 68 3.747 21.419 -15.266 1.00 0.00 C ATOM 1056 O PHE A 68 3.650 20.214 -15.027 1.00 0.00 O ATOM 1057 CB PHE A 68 3.492 22.625 -17.496 1.00 0.00 C ATOM 1058 CG PHE A 68 4.119 21.558 -18.371 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.308 20.798 -19.235 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.520 21.478 -18.478 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.896 19.973 -20.210 1.00 0.00 C ATOM 1062 CE2 PHE A 68 6.106 20.669 -19.467 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.296 19.920 -20.334 1.00 0.00 C ATOM 0 H PHE A 68 2.283 24.145 -16.082 1.00 0.00 H new ATOM 0 HA PHE A 68 2.031 21.390 -16.515 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.772 23.182 -18.096 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.271 23.328 -17.200 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.233 20.849 -19.149 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.146 22.039 -17.799 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.273 19.380 -20.863 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.181 20.624 -19.560 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.748 19.303 -21.097 1.00 0.00 H new ATOM 1073 N LEU A 69 4.667 22.186 -14.678 1.00 0.00 N ATOM 1074 CA LEU A 69 5.614 21.682 -13.699 1.00 0.00 C ATOM 1075 C LEU A 69 4.865 21.043 -12.525 1.00 0.00 C ATOM 1076 O LEU A 69 5.191 19.928 -12.122 1.00 0.00 O ATOM 1077 CB LEU A 69 6.566 22.815 -13.285 1.00 0.00 C ATOM 1078 CG LEU A 69 7.695 22.355 -12.344 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.962 23.186 -12.595 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.293 22.510 -10.872 1.00 0.00 C ATOM 0 H LEU A 69 4.771 23.182 -14.874 1.00 0.00 H new ATOM 0 HA LEU A 69 6.231 20.892 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.006 23.254 -14.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.992 23.600 -12.794 1.00 0.00 H new ATOM 0 HG LEU A 69 7.886 21.302 -12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.754 22.853 -11.925 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.283 23.057 -13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.749 24.239 -12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.112 22.177 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.073 23.557 -10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.408 21.907 -10.671 1.00 0.00 H new ATOM 1092 N THR A 70 3.855 21.723 -11.975 1.00 0.00 N ATOM 1093 CA THR A 70 3.069 21.201 -10.861 1.00 0.00 C ATOM 1094 C THR A 70 2.431 19.858 -11.228 1.00 0.00 C ATOM 1095 O THR A 70 2.512 18.910 -10.451 1.00 0.00 O ATOM 1096 CB THR A 70 2.022 22.228 -10.403 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.673 23.417 -10.010 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.221 21.727 -9.198 1.00 0.00 C ATOM 0 H THR A 70 3.562 22.648 -12.291 1.00 0.00 H new ATOM 0 HA THR A 70 3.738 21.023 -10.019 1.00 0.00 H new ATOM 0 HB THR A 70 1.345 22.395 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.935 23.925 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.492 22.483 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.702 20.806 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.898 21.535 -8.365 1.00 0.00 H new ATOM 1106 N MET A 71 1.819 19.765 -12.412 1.00 0.00 N ATOM 1107 CA MET A 71 1.212 18.540 -12.913 1.00 0.00 C ATOM 1108 C MET A 71 2.219 17.387 -12.870 1.00 0.00 C ATOM 1109 O MET A 71 1.872 16.273 -12.477 1.00 0.00 O ATOM 1110 CB MET A 71 0.680 18.785 -14.334 1.00 0.00 C ATOM 1111 CG MET A 71 -0.088 17.587 -14.903 1.00 0.00 C ATOM 1112 SD MET A 71 -0.809 17.823 -16.550 1.00 0.00 S ATOM 1113 CE MET A 71 0.672 18.116 -17.546 1.00 0.00 C ATOM 0 H MET A 71 1.733 20.553 -13.054 1.00 0.00 H new ATOM 0 HA MET A 71 0.374 18.255 -12.277 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.026 19.657 -14.325 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.516 19.019 -14.993 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.587 16.732 -14.941 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.889 17.330 -14.210 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.411 18.084 -18.604 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.085 19.095 -17.304 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.413 17.346 -17.331 1.00 0.00 H new ATOM 1123 N MET A 72 3.467 17.643 -13.273 1.00 0.00 N ATOM 1124 CA MET A 72 4.507 16.628 -13.207 1.00 0.00 C ATOM 1125 C MET A 72 4.846 16.322 -11.748 1.00 0.00 C ATOM 1126 O MET A 72 4.788 15.169 -11.327 1.00 0.00 O ATOM 1127 CB MET A 72 5.728 17.067 -14.021 1.00 0.00 C ATOM 1128 CG MET A 72 5.364 17.112 -15.509 1.00 0.00 C ATOM 1129 SD MET A 72 6.719 17.580 -16.605 1.00 0.00 S ATOM 1130 CE MET A 72 5.897 17.376 -18.198 1.00 0.00 C ATOM 0 H MET A 72 3.775 18.541 -13.646 1.00 0.00 H new ATOM 0 HA MET A 72 4.148 15.701 -13.653 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.065 18.049 -13.689 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.554 16.374 -13.859 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.995 16.131 -15.808 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.544 17.816 -15.647 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.568 17.692 -18.997 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.633 16.328 -18.339 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.993 17.985 -18.222 1.00 0.00 H new