USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 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 71 MET CE :methyl -165:sc= -0.0176 (180deg=-0.248) USER MOD Set 1.2: A 72 MET CE :methyl 177:sc= -0.0202 (180deg=-0.0326) USER MOD Set 2.1: A 26 THR OG1 : rot -130:sc= 0.59 USER MOD Set 2.2: A 62 THR OG1 : rot 160:sc= 0.509 USER MOD Single : A 5 THR OG1 : rot 178:sc= 1.29 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.2,f=-0.053) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0.237 (180deg=0.149) USER MOD Single : A 10 GLN : amide:sc= 0.362 K(o=0.36,f=-0.26) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0557) USER MOD Single : A 36 MET CE :methyl -172:sc= -0.818 (180deg=-1.16) USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= 0.00393 (180deg=-0.0328) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= -0.0594 (180deg=-0.15) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 77:sc= 1.18 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.05 (180deg=1.03) USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 5 14.451 17.566 -10.017 1.00 0.00 N ATOM 68 CA THR A 5 15.814 18.069 -10.045 1.00 0.00 C ATOM 69 C THR A 5 15.906 19.240 -11.027 1.00 0.00 C ATOM 70 O THR A 5 14.991 19.489 -11.811 1.00 0.00 O ATOM 71 CB THR A 5 16.749 16.935 -10.494 1.00 0.00 C ATOM 72 OG1 THR A 5 16.327 16.472 -11.764 1.00 0.00 O ATOM 73 CG2 THR A 5 16.749 15.775 -9.494 1.00 0.00 C ATOM 0 HA THR A 5 16.106 18.415 -9.054 1.00 0.00 H new ATOM 0 HB THR A 5 17.766 17.324 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.938 15.772 -12.076 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.421 14.992 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.086 16.133 -8.521 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.740 15.373 -9.403 1.00 0.00 H new ATOM 81 N GLU A 6 17.023 19.967 -11.014 1.00 0.00 N ATOM 82 CA GLU A 6 17.270 21.012 -12.000 1.00 0.00 C ATOM 83 C GLU A 6 17.259 20.396 -13.403 1.00 0.00 C ATOM 84 O GLU A 6 16.694 20.966 -14.331 1.00 0.00 O ATOM 85 CB GLU A 6 18.585 21.738 -11.682 1.00 0.00 C ATOM 86 CG GLU A 6 18.470 22.643 -10.441 1.00 0.00 C ATOM 87 CD GLU A 6 18.068 21.892 -9.172 1.00 0.00 C ATOM 88 OE1 GLU A 6 18.704 20.850 -8.902 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.090 22.334 -8.528 1.00 0.00 O ATOM 0 H GLU A 6 17.770 19.849 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 6 16.480 21.762 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.373 21.003 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.882 22.340 -12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.426 23.138 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.737 23.425 -10.638 1.00 0.00 H new ATOM 96 N GLU A 7 17.836 19.200 -13.535 1.00 0.00 N ATOM 97 CA GLU A 7 17.749 18.368 -14.715 1.00 0.00 C ATOM 98 C GLU A 7 16.282 18.153 -15.121 1.00 0.00 C ATOM 99 O GLU A 7 15.909 18.460 -16.253 1.00 0.00 O ATOM 100 CB GLU A 7 18.545 17.092 -14.398 1.00 0.00 C ATOM 101 CG GLU A 7 18.274 15.916 -15.334 1.00 0.00 C ATOM 102 CD GLU A 7 17.093 15.065 -14.875 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.130 14.618 -13.707 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.158 14.896 -15.689 1.00 0.00 O ATOM 0 H GLU A 7 18.394 18.778 -12.792 1.00 0.00 H new ATOM 0 HA GLU A 7 18.188 18.829 -15.600 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.609 17.327 -14.432 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.319 16.784 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.078 16.292 -16.338 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.165 15.292 -15.396 1.00 0.00 H new ATOM 111 N GLN A 8 15.432 17.654 -14.218 1.00 0.00 N ATOM 112 CA GLN A 8 14.018 17.478 -14.534 1.00 0.00 C ATOM 113 C GLN A 8 13.394 18.803 -14.979 1.00 0.00 C ATOM 114 O GLN A 8 12.727 18.848 -16.009 1.00 0.00 O ATOM 115 CB GLN A 8 13.251 16.896 -13.341 1.00 0.00 C ATOM 116 CG GLN A 8 13.529 15.405 -13.109 1.00 0.00 C ATOM 117 CD GLN A 8 12.831 14.530 -14.144 1.00 0.00 C ATOM 118 OE1 GLN A 8 11.655 14.215 -13.999 1.00 0.00 O ATOM 119 NE2 GLN A 8 13.530 14.133 -15.202 1.00 0.00 N ATOM 0 H GLN A 8 15.697 17.369 -13.275 1.00 0.00 H new ATOM 0 HA GLN A 8 13.947 16.768 -15.358 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.516 17.452 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.182 17.039 -13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.603 15.226 -13.147 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.194 15.124 -12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.507 14.408 -15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.089 13.553 -15.916 1.00 0.00 H new ATOM 128 N LYS A 9 13.603 19.884 -14.226 1.00 0.00 N ATOM 129 CA LYS A 9 13.043 21.182 -14.573 1.00 0.00 C ATOM 130 C LYS A 9 13.519 21.652 -15.953 1.00 0.00 C ATOM 131 O LYS A 9 12.714 22.172 -16.723 1.00 0.00 O ATOM 132 CB LYS A 9 13.305 22.205 -13.460 1.00 0.00 C ATOM 133 CG LYS A 9 12.490 21.836 -12.209 1.00 0.00 C ATOM 134 CD LYS A 9 12.503 22.938 -11.139 1.00 0.00 C ATOM 135 CE LYS A 9 13.895 23.221 -10.561 1.00 0.00 C ATOM 136 NZ LYS A 9 14.509 22.007 -10.000 1.00 0.00 N ATOM 0 H LYS A 9 14.158 19.881 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 9 11.961 21.080 -14.653 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.368 22.229 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.033 23.204 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.460 21.632 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.888 20.916 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.105 23.856 -11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.834 22.652 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.538 23.626 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.819 23.982 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.419 22.250 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.876 21.597 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.667 21.315 -10.760 1.00 0.00 H new ATOM 150 N GLN A 10 14.792 21.437 -16.297 1.00 0.00 N ATOM 151 CA GLN A 10 15.294 21.679 -17.645 1.00 0.00 C ATOM 152 C GLN A 10 14.477 20.895 -18.672 1.00 0.00 C ATOM 153 O GLN A 10 13.928 21.489 -19.600 1.00 0.00 O ATOM 154 CB GLN A 10 16.786 21.317 -17.747 1.00 0.00 C ATOM 155 CG GLN A 10 17.705 22.466 -17.318 1.00 0.00 C ATOM 156 CD GLN A 10 17.576 23.709 -18.195 1.00 0.00 C ATOM 157 OE1 GLN A 10 17.582 24.825 -17.687 1.00 0.00 O ATOM 158 NE2 GLN A 10 17.450 23.555 -19.512 1.00 0.00 N ATOM 0 H GLN A 10 15.499 21.091 -15.648 1.00 0.00 H new ATOM 0 HA GLN A 10 15.188 22.742 -17.861 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.987 20.445 -17.125 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.018 21.036 -18.774 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.480 22.734 -16.286 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.739 22.121 -17.340 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.447 22.619 -19.918 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.357 24.373 -20.114 1.00 0.00 H new ATOM 167 N GLU A 11 14.378 19.571 -18.511 1.00 0.00 N ATOM 168 CA GLU A 11 13.603 18.746 -19.432 1.00 0.00 C ATOM 169 C GLU A 11 12.170 19.278 -19.568 1.00 0.00 C ATOM 170 O GLU A 11 11.667 19.452 -20.676 1.00 0.00 O ATOM 171 CB GLU A 11 13.606 17.276 -18.980 1.00 0.00 C ATOM 172 CG GLU A 11 15.005 16.638 -18.991 1.00 0.00 C ATOM 173 CD GLU A 11 15.644 16.636 -20.375 1.00 0.00 C ATOM 174 OE1 GLU A 11 14.965 16.161 -21.311 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.797 17.109 -20.472 1.00 0.00 O ATOM 0 H GLU A 11 14.824 19.053 -17.754 1.00 0.00 H new ATOM 0 HA GLU A 11 14.073 18.797 -20.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.193 17.212 -17.973 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.947 16.702 -19.632 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.651 17.178 -18.299 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.934 15.613 -18.627 1.00 0.00 H new ATOM 182 N ILE A 12 11.516 19.550 -18.437 1.00 0.00 N ATOM 183 CA ILE A 12 10.150 20.054 -18.389 1.00 0.00 C ATOM 184 C ILE A 12 10.046 21.386 -19.145 1.00 0.00 C ATOM 185 O ILE A 12 9.140 21.553 -19.959 1.00 0.00 O ATOM 186 CB ILE A 12 9.677 20.134 -16.922 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.539 18.707 -16.351 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.331 20.862 -16.792 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.427 18.677 -14.823 1.00 0.00 C ATOM 0 H ILE A 12 11.932 19.422 -17.514 1.00 0.00 H new ATOM 0 HA ILE A 12 9.475 19.367 -18.898 1.00 0.00 H new ATOM 0 HB ILE A 12 10.421 20.701 -16.363 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.657 18.233 -16.783 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.401 18.115 -16.657 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.035 20.896 -15.743 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.428 21.878 -17.174 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.572 20.330 -17.366 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.333 17.645 -14.485 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.320 19.122 -14.384 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.549 19.242 -14.511 1.00 0.00 H new ATOM 201 N ARG A 13 10.960 22.328 -18.900 1.00 0.00 N ATOM 202 CA ARG A 13 10.997 23.607 -19.604 1.00 0.00 C ATOM 203 C ARG A 13 11.151 23.388 -21.109 1.00 0.00 C ATOM 204 O ARG A 13 10.373 23.922 -21.897 1.00 0.00 O ATOM 205 CB ARG A 13 12.119 24.488 -19.033 1.00 0.00 C ATOM 206 CG ARG A 13 12.346 25.798 -19.806 1.00 0.00 C ATOM 207 CD ARG A 13 11.089 26.670 -19.941 1.00 0.00 C ATOM 208 NE ARG A 13 10.496 26.988 -18.636 1.00 0.00 N ATOM 209 CZ ARG A 13 10.921 27.941 -17.795 1.00 0.00 C ATOM 210 NH1 ARG A 13 11.975 28.704 -18.100 1.00 0.00 N ATOM 211 NH2 ARG A 13 10.277 28.118 -16.640 1.00 0.00 N ATOM 0 H ARG A 13 11.698 22.222 -18.204 1.00 0.00 H new ATOM 0 HA ARG A 13 10.053 24.129 -19.451 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.886 24.727 -17.995 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.047 23.917 -19.028 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.123 26.374 -19.304 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.719 25.560 -20.802 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.344 27.595 -20.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.353 26.152 -20.557 1.00 0.00 H new ATOM 0 HE ARG A 13 9.690 26.435 -18.344 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.467 28.565 -18.983 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.287 29.426 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.474 27.532 -16.409 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.587 28.839 -15.988 1.00 0.00 H new ATOM 225 N GLU A 14 12.146 22.599 -21.515 1.00 0.00 N ATOM 226 CA GLU A 14 12.412 22.314 -22.919 1.00 0.00 C ATOM 227 C GLU A 14 11.161 21.726 -23.590 1.00 0.00 C ATOM 228 O GLU A 14 10.707 22.226 -24.621 1.00 0.00 O ATOM 229 CB GLU A 14 13.631 21.383 -23.010 1.00 0.00 C ATOM 230 CG GLU A 14 14.915 22.116 -22.575 1.00 0.00 C ATOM 231 CD GLU A 14 16.054 21.156 -22.235 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.167 20.131 -22.939 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.801 21.474 -21.281 1.00 0.00 O ATOM 0 H GLU A 14 12.792 22.139 -20.873 1.00 0.00 H new ATOM 0 HA GLU A 14 12.647 23.231 -23.460 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.474 20.509 -22.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.742 21.021 -24.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.235 22.785 -23.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.697 22.738 -21.706 1.00 0.00 H new ATOM 240 N ALA A 15 10.586 20.685 -22.982 1.00 0.00 N ATOM 241 CA ALA A 15 9.359 20.059 -23.459 1.00 0.00 C ATOM 242 C ALA A 15 8.231 21.087 -23.568 1.00 0.00 C ATOM 243 O ALA A 15 7.592 21.197 -24.610 1.00 0.00 O ATOM 244 CB ALA A 15 8.971 18.907 -22.528 1.00 0.00 C ATOM 0 H ALA A 15 10.965 20.253 -22.139 1.00 0.00 H new ATOM 0 HA ALA A 15 9.531 19.656 -24.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.053 18.442 -22.888 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.771 18.167 -22.512 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.812 19.291 -21.520 1.00 0.00 H new ATOM 250 N PHE A 16 8.002 21.850 -22.493 1.00 0.00 N ATOM 251 CA PHE A 16 7.001 22.907 -22.443 1.00 0.00 C ATOM 252 C PHE A 16 7.161 23.825 -23.652 1.00 0.00 C ATOM 253 O PHE A 16 6.239 23.961 -24.453 1.00 0.00 O ATOM 254 CB PHE A 16 7.109 23.695 -21.128 1.00 0.00 C ATOM 255 CG PHE A 16 6.115 24.831 -20.982 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.815 24.569 -20.515 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.482 26.150 -21.314 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.887 25.613 -20.373 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.550 27.194 -21.184 1.00 0.00 C ATOM 260 CZ PHE A 16 4.254 26.926 -20.710 1.00 0.00 C ATOM 0 H PHE A 16 8.520 21.743 -21.621 1.00 0.00 H new ATOM 0 HA PHE A 16 6.008 22.459 -22.477 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.975 23.005 -20.295 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.117 24.101 -21.046 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.528 23.558 -20.264 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.480 26.359 -21.669 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.893 25.407 -20.005 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.830 28.203 -21.449 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.540 27.730 -20.605 1.00 0.00 H new ATOM 270 N ASP A 17 8.345 24.424 -23.793 1.00 0.00 N ATOM 271 CA ASP A 17 8.663 25.345 -24.874 1.00 0.00 C ATOM 272 C ASP A 17 8.347 24.706 -26.222 1.00 0.00 C ATOM 273 O ASP A 17 7.652 25.308 -27.038 1.00 0.00 O ATOM 274 CB ASP A 17 10.140 25.766 -24.811 1.00 0.00 C ATOM 275 CG ASP A 17 10.506 26.553 -23.555 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.599 27.194 -22.981 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.703 26.511 -23.195 1.00 0.00 O ATOM 0 H ASP A 17 9.120 24.277 -23.146 1.00 0.00 H new ATOM 0 HA ASP A 17 8.049 26.238 -24.759 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.764 24.874 -24.864 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.373 26.371 -25.688 1.00 0.00 H new ATOM 282 N LEU A 18 8.852 23.490 -26.457 1.00 0.00 N ATOM 283 CA LEU A 18 8.614 22.781 -27.707 1.00 0.00 C ATOM 284 C LEU A 18 7.118 22.630 -27.976 1.00 0.00 C ATOM 285 O LEU A 18 6.653 22.979 -29.057 1.00 0.00 O ATOM 286 CB LEU A 18 9.335 21.427 -27.710 1.00 0.00 C ATOM 287 CG LEU A 18 9.062 20.652 -29.016 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.356 20.083 -29.593 1.00 0.00 C ATOM 289 CD2 LEU A 18 8.065 19.509 -28.791 1.00 0.00 C ATOM 0 H LEU A 18 9.430 22.979 -25.790 1.00 0.00 H new ATOM 0 HA LEU A 18 9.029 23.374 -28.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.408 21.583 -27.594 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.005 20.834 -26.857 1.00 0.00 H new ATOM 0 HG LEU A 18 8.632 21.360 -29.724 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.137 19.541 -30.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.048 20.898 -29.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.808 19.403 -28.871 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.895 18.984 -29.731 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.469 18.814 -28.055 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.121 19.916 -28.427 1.00 0.00 H new ATOM 301 N PHE A 19 6.362 22.095 -27.013 1.00 0.00 N ATOM 302 CA PHE A 19 4.930 21.898 -27.187 1.00 0.00 C ATOM 303 C PHE A 19 4.228 23.232 -27.444 1.00 0.00 C ATOM 304 O PHE A 19 3.320 23.318 -28.272 1.00 0.00 O ATOM 305 CB PHE A 19 4.324 21.236 -25.943 1.00 0.00 C ATOM 306 CG PHE A 19 4.835 19.852 -25.579 1.00 0.00 C ATOM 307 CD1 PHE A 19 5.053 18.877 -26.572 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.900 19.481 -24.221 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.393 17.563 -26.212 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.191 18.154 -23.862 1.00 0.00 C ATOM 311 CZ PHE A 19 5.461 17.198 -24.857 1.00 0.00 C ATOM 0 H PHE A 19 6.722 21.793 -26.108 1.00 0.00 H new ATOM 0 HA PHE A 19 4.784 21.247 -28.049 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.495 21.895 -25.092 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.245 21.172 -26.085 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.958 19.141 -27.615 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.725 20.220 -23.453 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.603 16.831 -26.978 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.207 17.868 -22.821 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.720 16.187 -24.581 1.00 0.00 H new ATOM 321 N ASP A 20 4.638 24.279 -26.725 1.00 0.00 N ATOM 322 CA ASP A 20 3.976 25.574 -26.698 1.00 0.00 C ATOM 323 C ASP A 20 4.275 26.414 -27.947 1.00 0.00 C ATOM 324 O ASP A 20 4.469 27.624 -27.847 1.00 0.00 O ATOM 325 CB ASP A 20 4.446 26.315 -25.441 1.00 0.00 C ATOM 326 CG ASP A 20 3.549 27.475 -25.053 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.463 27.594 -25.653 1.00 0.00 O ATOM 328 OD2 ASP A 20 3.964 28.225 -24.144 1.00 0.00 O ATOM 0 H ASP A 20 5.465 24.242 -26.129 1.00 0.00 H new ATOM 0 HA ASP A 20 2.898 25.416 -26.684 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.496 25.611 -24.611 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.457 26.687 -25.605 1.00 0.00 H new ATOM 333 N THR A 21 4.304 25.776 -29.117 1.00 0.00 N ATOM 334 CA THR A 21 4.669 26.363 -30.396 1.00 0.00 C ATOM 335 C THR A 21 4.024 27.741 -30.591 1.00 0.00 C ATOM 336 O THR A 21 4.699 28.768 -30.640 1.00 0.00 O ATOM 337 CB THR A 21 4.236 25.392 -31.510 1.00 0.00 C ATOM 338 OG1 THR A 21 2.883 25.004 -31.322 1.00 0.00 O ATOM 339 CG2 THR A 21 5.096 24.124 -31.545 1.00 0.00 C ATOM 0 H THR A 21 4.061 24.789 -29.197 1.00 0.00 H new ATOM 0 HA THR A 21 5.748 26.517 -30.429 1.00 0.00 H new ATOM 0 HB THR A 21 4.361 25.924 -32.453 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.617 24.388 -32.036 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.751 23.472 -32.347 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.137 24.395 -31.721 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.013 23.602 -30.592 1.00 0.00 H new ATOM 377 N GLY A 25 4.154 30.961 -24.399 1.00 0.00 N ATOM 378 CA GLY A 25 3.915 31.559 -23.100 1.00 0.00 C ATOM 379 C GLY A 25 3.073 30.600 -22.268 1.00 0.00 C ATOM 380 O GLY A 25 3.448 30.248 -21.151 1.00 0.00 O ATOM 0 HA2 GLY A 25 4.861 31.764 -22.599 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.401 32.513 -23.212 1.00 0.00 H new ATOM 384 N THR A 26 1.938 30.169 -22.826 1.00 0.00 N ATOM 385 CA THR A 26 1.018 29.253 -22.164 1.00 0.00 C ATOM 386 C THR A 26 0.524 28.202 -23.167 1.00 0.00 C ATOM 387 O THR A 26 0.109 28.546 -24.271 1.00 0.00 O ATOM 388 CB THR A 26 -0.125 30.032 -21.493 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.921 30.710 -22.440 1.00 0.00 O ATOM 390 CG2 THR A 26 0.365 31.088 -20.499 1.00 0.00 C ATOM 0 H THR A 26 1.634 30.451 -23.758 1.00 0.00 H new ATOM 0 HA THR A 26 1.534 28.718 -21.366 1.00 0.00 H new ATOM 0 HB THR A 26 -0.699 29.269 -20.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.030 31.645 -22.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.491 31.601 -20.061 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.941 30.605 -19.710 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.995 31.811 -21.017 1.00 0.00 H new ATOM 398 N ILE A 27 0.580 26.917 -22.799 1.00 0.00 N ATOM 399 CA ILE A 27 0.209 25.816 -23.682 1.00 0.00 C ATOM 400 C ILE A 27 -1.311 25.790 -23.810 1.00 0.00 C ATOM 401 O ILE A 27 -2.000 25.480 -22.842 1.00 0.00 O ATOM 402 CB ILE A 27 0.766 24.487 -23.129 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.281 24.460 -23.360 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.145 23.243 -23.783 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.943 23.192 -22.823 1.00 0.00 C ATOM 0 H ILE A 27 0.886 26.615 -21.874 1.00 0.00 H new ATOM 0 HA ILE A 27 0.639 25.955 -24.674 1.00 0.00 H new ATOM 0 HB ILE A 27 0.513 24.449 -22.070 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.482 24.544 -24.428 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.732 25.329 -22.881 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.583 22.345 -23.346 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.932 23.241 -23.613 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.343 23.258 -24.855 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.015 23.231 -23.016 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.770 23.118 -21.749 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.517 22.321 -23.320 1.00 0.00 H new ATOM 417 N ASP A 28 -1.846 26.096 -24.992 1.00 0.00 N ATOM 418 CA ASP A 28 -3.269 25.949 -25.258 1.00 0.00 C ATOM 419 C ASP A 28 -3.677 24.479 -25.132 1.00 0.00 C ATOM 420 O ASP A 28 -2.895 23.595 -25.484 1.00 0.00 O ATOM 421 CB ASP A 28 -3.594 26.494 -26.654 1.00 0.00 C ATOM 422 CG ASP A 28 -5.091 26.427 -26.935 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.530 25.359 -27.417 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.774 27.430 -26.643 1.00 0.00 O ATOM 0 H ASP A 28 -1.307 26.449 -25.783 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.837 26.522 -24.525 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.252 27.526 -26.734 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.054 25.920 -27.407 1.00 0.00 H new ATOM 429 N ALA A 29 -4.906 24.216 -24.674 1.00 0.00 N ATOM 430 CA ALA A 29 -5.501 22.882 -24.648 1.00 0.00 C ATOM 431 C ALA A 29 -5.120 22.028 -25.870 1.00 0.00 C ATOM 432 O ALA A 29 -4.699 20.884 -25.720 1.00 0.00 O ATOM 433 CB ALA A 29 -7.022 23.015 -24.535 1.00 0.00 C ATOM 0 H ALA A 29 -5.523 24.940 -24.305 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.102 22.358 -23.779 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.473 22.023 -24.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.274 23.547 -23.617 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.403 23.570 -25.392 1.00 0.00 H new ATOM 439 N LYS A 30 -5.235 22.588 -27.080 1.00 0.00 N ATOM 440 CA LYS A 30 -4.868 21.903 -28.315 1.00 0.00 C ATOM 441 C LYS A 30 -3.395 21.481 -28.305 1.00 0.00 C ATOM 442 O LYS A 30 -3.065 20.344 -28.639 1.00 0.00 O ATOM 443 CB LYS A 30 -5.158 22.811 -29.517 1.00 0.00 C ATOM 444 CG LYS A 30 -6.655 23.118 -29.656 1.00 0.00 C ATOM 445 CD LYS A 30 -6.886 24.079 -30.828 1.00 0.00 C ATOM 446 CE LYS A 30 -8.375 24.415 -30.958 1.00 0.00 C ATOM 447 NZ LYS A 30 -8.620 25.340 -32.078 1.00 0.00 N ATOM 0 H LYS A 30 -5.588 23.534 -27.226 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.468 20.997 -28.395 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.605 23.744 -29.409 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.800 22.332 -30.428 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.211 22.194 -29.817 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.031 23.559 -28.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.312 24.993 -30.675 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.526 23.628 -31.753 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.945 23.498 -31.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.731 24.862 -30.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.637 25.548 -32.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.095 26.223 -31.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.302 24.902 -32.966 1.00 0.00 H new ATOM 461 N GLU A 31 -2.498 22.389 -27.915 1.00 0.00 N ATOM 462 CA GLU A 31 -1.077 22.092 -27.815 1.00 0.00 C ATOM 463 C GLU A 31 -0.853 20.989 -26.774 1.00 0.00 C ATOM 464 O GLU A 31 -0.041 20.092 -26.993 1.00 0.00 O ATOM 465 CB GLU A 31 -0.284 23.366 -27.488 1.00 0.00 C ATOM 466 CG GLU A 31 -0.308 24.382 -28.639 1.00 0.00 C ATOM 467 CD GLU A 31 0.312 25.716 -28.230 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.186 26.290 -27.237 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.263 26.150 -28.918 1.00 0.00 O ATOM 0 H GLU A 31 -2.740 23.347 -27.661 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.711 21.726 -28.774 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.697 23.827 -26.591 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.749 23.100 -27.263 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.233 23.976 -29.494 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.337 24.543 -28.961 1.00 0.00 H new ATOM 476 N LEU A 32 -1.583 21.022 -25.652 1.00 0.00 N ATOM 477 CA LEU A 32 -1.496 19.941 -24.673 1.00 0.00 C ATOM 478 C LEU A 32 -1.963 18.619 -25.290 1.00 0.00 C ATOM 479 O LEU A 32 -1.335 17.587 -25.078 1.00 0.00 O ATOM 480 CB LEU A 32 -2.275 20.250 -23.383 1.00 0.00 C ATOM 481 CG LEU A 32 -1.688 19.491 -22.174 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.388 20.120 -21.647 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.726 19.446 -21.046 1.00 0.00 C ATOM 0 H LEU A 32 -2.228 21.773 -25.406 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.447 19.847 -24.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.249 21.322 -23.189 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.322 19.975 -23.514 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.444 18.485 -22.515 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.023 19.543 -20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.363 20.118 -22.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.581 21.146 -21.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.312 18.910 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.983 20.462 -20.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.622 18.934 -21.396 1.00 0.00 H new ATOM 495 N LYS A 33 -3.061 18.623 -26.050 1.00 0.00 N ATOM 496 CA LYS A 33 -3.537 17.430 -26.739 1.00 0.00 C ATOM 497 C LYS A 33 -2.457 16.889 -27.683 1.00 0.00 C ATOM 498 O LYS A 33 -2.153 15.698 -27.651 1.00 0.00 O ATOM 499 CB LYS A 33 -4.871 17.731 -27.433 1.00 0.00 C ATOM 500 CG LYS A 33 -5.486 16.491 -28.097 1.00 0.00 C ATOM 501 CD LYS A 33 -6.815 16.871 -28.767 1.00 0.00 C ATOM 502 CE LYS A 33 -7.507 15.661 -29.406 1.00 0.00 C ATOM 503 NZ LYS A 33 -6.701 15.068 -30.488 1.00 0.00 N ATOM 0 H LYS A 33 -3.639 19.450 -26.202 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.731 16.633 -26.022 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.573 18.133 -26.703 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.718 18.503 -28.187 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.798 16.083 -28.837 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.652 15.712 -27.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.479 17.318 -28.027 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.632 17.628 -29.530 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.697 14.907 -28.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.476 15.965 -29.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.255 14.331 -30.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.440 15.807 -31.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.838 14.647 -30.088 1.00 0.00 H new ATOM 517 N VAL A 34 -1.853 17.756 -28.501 1.00 0.00 N ATOM 518 CA VAL A 34 -0.725 17.368 -29.347 1.00 0.00 C ATOM 519 C VAL A 34 0.395 16.759 -28.494 1.00 0.00 C ATOM 520 O VAL A 34 0.907 15.688 -28.817 1.00 0.00 O ATOM 521 CB VAL A 34 -0.238 18.571 -30.177 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.092 18.276 -30.886 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.283 18.945 -31.235 1.00 0.00 C ATOM 0 H VAL A 34 -2.129 18.734 -28.594 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.050 16.601 -30.051 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.089 19.398 -29.482 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.400 19.150 -31.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.856 18.042 -30.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.966 17.427 -31.558 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.926 19.797 -31.814 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.447 18.097 -31.900 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.220 19.208 -30.744 1.00 0.00 H new ATOM 533 N ALA A 35 0.771 17.423 -27.398 1.00 0.00 N ATOM 534 CA ALA A 35 1.785 16.920 -26.484 1.00 0.00 C ATOM 535 C ALA A 35 1.436 15.507 -26.017 1.00 0.00 C ATOM 536 O ALA A 35 2.257 14.599 -26.095 1.00 0.00 O ATOM 537 CB ALA A 35 1.938 17.866 -25.291 1.00 0.00 C ATOM 0 H ALA A 35 0.378 18.324 -27.124 1.00 0.00 H new ATOM 0 HA ALA A 35 2.738 16.874 -27.011 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.700 17.478 -24.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.236 18.853 -25.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.988 17.942 -24.762 1.00 0.00 H new ATOM 543 N MET A 36 0.208 15.310 -25.547 1.00 0.00 N ATOM 544 CA MET A 36 -0.275 14.021 -25.087 1.00 0.00 C ATOM 545 C MET A 36 -0.223 12.975 -26.204 1.00 0.00 C ATOM 546 O MET A 36 0.228 11.856 -25.966 1.00 0.00 O ATOM 547 CB MET A 36 -1.642 14.203 -24.417 1.00 0.00 C ATOM 548 CG MET A 36 -1.418 14.819 -23.027 1.00 0.00 C ATOM 549 SD MET A 36 -2.888 15.063 -22.006 1.00 0.00 S ATOM 550 CE MET A 36 -3.734 16.300 -23.002 1.00 0.00 C ATOM 0 H MET A 36 -0.486 16.054 -25.476 1.00 0.00 H new ATOM 0 HA MET A 36 0.385 13.614 -24.321 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.278 14.850 -25.021 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.153 13.244 -24.330 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.724 14.181 -22.479 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.929 15.784 -23.157 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.598 16.678 -22.456 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.052 17.123 -23.217 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.065 15.850 -23.938 1.00 0.00 H new ATOM 560 N ARG A 37 -0.613 13.323 -27.432 1.00 0.00 N ATOM 561 CA ARG A 37 -0.407 12.427 -28.566 1.00 0.00 C ATOM 562 C ARG A 37 1.075 12.072 -28.726 1.00 0.00 C ATOM 563 O ARG A 37 1.409 10.897 -28.858 1.00 0.00 O ATOM 564 CB ARG A 37 -0.993 13.015 -29.855 1.00 0.00 C ATOM 565 CG ARG A 37 -2.529 13.041 -29.859 1.00 0.00 C ATOM 566 CD ARG A 37 -3.156 11.640 -29.830 1.00 0.00 C ATOM 567 NE ARG A 37 -2.660 10.803 -30.933 1.00 0.00 N ATOM 568 CZ ARG A 37 -2.175 9.552 -30.858 1.00 0.00 C ATOM 569 NH1 ARG A 37 -2.098 8.876 -29.704 1.00 0.00 N ATOM 570 NH2 ARG A 37 -1.756 8.963 -31.983 1.00 0.00 N ATOM 0 H ARG A 37 -1.067 14.207 -27.663 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.944 11.501 -28.362 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.618 14.030 -29.988 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.643 12.431 -30.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.879 13.607 -28.996 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.875 13.569 -30.748 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.931 11.159 -28.878 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.241 11.725 -29.896 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.687 11.221 -31.863 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.415 9.310 -28.837 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.723 7.928 -29.693 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.809 9.463 -32.871 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.384 8.014 -31.954 1.00 0.00 H new ATOM 584 N ALA A 38 1.976 13.057 -28.669 1.00 0.00 N ATOM 585 CA ALA A 38 3.414 12.795 -28.718 1.00 0.00 C ATOM 586 C ALA A 38 3.856 11.867 -27.576 1.00 0.00 C ATOM 587 O ALA A 38 4.690 10.987 -27.780 1.00 0.00 O ATOM 588 CB ALA A 38 4.201 14.109 -28.720 1.00 0.00 C ATOM 0 H ALA A 38 1.733 14.044 -28.589 1.00 0.00 H new ATOM 0 HA ALA A 38 3.633 12.274 -29.650 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.269 13.893 -28.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.920 14.700 -29.592 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.975 14.670 -27.813 1.00 0.00 H new ATOM 594 N LEU A 39 3.276 12.036 -26.384 1.00 0.00 N ATOM 595 CA LEU A 39 3.490 11.166 -25.229 1.00 0.00 C ATOM 596 C LEU A 39 2.792 9.801 -25.383 1.00 0.00 C ATOM 597 O LEU A 39 2.880 8.970 -24.482 1.00 0.00 O ATOM 598 CB LEU A 39 3.003 11.869 -23.950 1.00 0.00 C ATOM 599 CG LEU A 39 3.767 13.157 -23.586 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.937 14.015 -22.617 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.118 12.824 -22.940 1.00 0.00 C ATOM 0 H LEU A 39 2.629 12.801 -26.193 1.00 0.00 H new ATOM 0 HA LEU A 39 4.560 10.972 -25.160 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.947 12.111 -24.066 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.080 11.170 -23.117 1.00 0.00 H new ATOM 0 HG LEU A 39 3.942 13.715 -24.506 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.489 14.921 -22.369 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.991 14.284 -23.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.741 13.449 -21.706 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.640 13.748 -22.691 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.954 12.244 -22.032 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.721 12.243 -23.637 1.00 0.00 H new ATOM 613 N GLY A 40 2.095 9.552 -26.495 1.00 0.00 N ATOM 614 CA GLY A 40 1.461 8.275 -26.795 1.00 0.00 C ATOM 615 C GLY A 40 0.142 8.072 -26.048 1.00 0.00 C ATOM 616 O GLY A 40 -0.319 6.942 -25.911 1.00 0.00 O ATOM 0 H GLY A 40 1.956 10.251 -27.225 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.278 8.210 -27.868 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.146 7.467 -26.538 1.00 0.00 H new ATOM 620 N PHE A 41 -0.484 9.152 -25.575 1.00 0.00 N ATOM 621 CA PHE A 41 -1.767 9.075 -24.888 1.00 0.00 C ATOM 622 C PHE A 41 -2.887 8.872 -25.907 1.00 0.00 C ATOM 623 O PHE A 41 -2.744 9.215 -27.082 1.00 0.00 O ATOM 624 CB PHE A 41 -2.062 10.384 -24.142 1.00 0.00 C ATOM 625 CG PHE A 41 -1.312 10.678 -22.849 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.010 10.194 -22.612 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.925 11.507 -21.887 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.670 10.538 -21.431 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.246 11.845 -20.702 1.00 0.00 C ATOM 630 CZ PHE A 41 0.054 11.366 -20.476 1.00 0.00 C ATOM 0 H PHE A 41 -0.114 10.099 -25.659 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.719 8.243 -24.185 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.868 11.207 -24.830 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.128 10.402 -23.916 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.467 9.556 -23.341 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.922 11.885 -22.061 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.669 10.165 -21.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.725 12.473 -19.966 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.580 11.633 -19.571 1.00 0.00 H new ATOM 640 N GLU A 42 -4.031 8.385 -25.421 1.00 0.00 N ATOM 641 CA GLU A 42 -5.287 8.323 -26.150 1.00 0.00 C ATOM 642 C GLU A 42 -6.185 9.406 -25.534 1.00 0.00 C ATOM 643 O GLU A 42 -6.588 9.240 -24.384 1.00 0.00 O ATOM 644 CB GLU A 42 -5.892 6.922 -25.982 1.00 0.00 C ATOM 645 CG GLU A 42 -7.185 6.758 -26.793 1.00 0.00 C ATOM 646 CD GLU A 42 -7.784 5.369 -26.594 1.00 0.00 C ATOM 647 OE1 GLU A 42 -8.580 5.229 -25.640 1.00 0.00 O ATOM 648 OE2 GLU A 42 -7.428 4.475 -27.393 1.00 0.00 O ATOM 0 H GLU A 42 -4.104 8.011 -24.475 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.166 8.497 -27.219 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.167 6.173 -26.299 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.099 6.740 -24.927 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.907 7.516 -26.490 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.978 6.920 -27.851 1.00 0.00 H new ATOM 655 N PRO A 43 -6.457 10.525 -26.229 1.00 0.00 N ATOM 656 CA PRO A 43 -7.312 11.604 -25.752 1.00 0.00 C ATOM 657 C PRO A 43 -8.736 11.184 -25.356 1.00 0.00 C ATOM 658 O PRO A 43 -9.705 11.462 -26.062 1.00 0.00 O ATOM 659 CB PRO A 43 -7.303 12.655 -26.867 1.00 0.00 C ATOM 660 CG PRO A 43 -5.909 12.492 -27.461 1.00 0.00 C ATOM 661 CD PRO A 43 -5.691 10.980 -27.378 1.00 0.00 C ATOM 0 HA PRO A 43 -6.918 11.991 -24.812 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.083 12.470 -27.605 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.464 13.661 -26.478 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.860 12.854 -28.488 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.159 13.042 -26.893 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.027 10.487 -28.290 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.633 10.745 -27.259 1.00 0.00 H new ATOM 669 N LYS A 44 -8.873 10.570 -24.180 1.00 0.00 N ATOM 670 CA LYS A 44 -10.142 10.286 -23.532 1.00 0.00 C ATOM 671 C LYS A 44 -10.811 11.611 -23.151 1.00 0.00 C ATOM 672 O LYS A 44 -10.718 12.049 -22.008 1.00 0.00 O ATOM 673 CB LYS A 44 -9.884 9.407 -22.299 1.00 0.00 C ATOM 674 CG LYS A 44 -9.431 7.978 -22.630 1.00 0.00 C ATOM 675 CD LYS A 44 -10.444 7.154 -23.442 1.00 0.00 C ATOM 676 CE LYS A 44 -11.865 7.158 -22.861 1.00 0.00 C ATOM 677 NZ LYS A 44 -11.887 6.742 -21.447 1.00 0.00 N ATOM 0 H LYS A 44 -8.071 10.248 -23.638 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.811 9.746 -24.202 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.124 9.883 -21.680 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.796 9.359 -21.704 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.495 8.028 -23.186 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.220 7.453 -21.698 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.478 7.542 -24.460 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.092 6.124 -23.505 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.290 8.158 -22.951 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.497 6.489 -23.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.662 6.065 -21.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.982 6.291 -21.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.033 7.575 -20.842 1.00 0.00 H new ATOM 691 N LYS A 45 -11.457 12.253 -24.129 1.00 0.00 N ATOM 692 CA LYS A 45 -12.001 13.606 -24.087 1.00 0.00 C ATOM 693 C LYS A 45 -12.499 14.064 -22.710 1.00 0.00 C ATOM 694 O LYS A 45 -12.094 15.121 -22.232 1.00 0.00 O ATOM 695 CB LYS A 45 -13.053 13.773 -25.197 1.00 0.00 C ATOM 696 CG LYS A 45 -14.224 12.780 -25.115 1.00 0.00 C ATOM 697 CD LYS A 45 -15.172 12.898 -26.317 1.00 0.00 C ATOM 698 CE LYS A 45 -14.544 12.380 -27.619 1.00 0.00 C ATOM 699 NZ LYS A 45 -15.528 12.360 -28.716 1.00 0.00 N ATOM 0 H LYS A 45 -11.623 11.807 -25.031 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.171 14.286 -24.279 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.449 14.788 -25.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.564 13.661 -26.165 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.833 11.764 -25.062 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.783 12.955 -24.196 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.085 12.339 -26.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.460 13.941 -26.447 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.701 13.013 -27.895 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.151 11.376 -27.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.075 12.006 -29.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.321 11.737 -28.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.884 13.323 -28.881 1.00 0.00 H new ATOM 713 N GLU A 46 -13.366 13.290 -22.056 1.00 0.00 N ATOM 714 CA GLU A 46 -13.906 13.651 -20.751 1.00 0.00 C ATOM 715 C GLU A 46 -12.799 13.726 -19.688 1.00 0.00 C ATOM 716 O GLU A 46 -12.732 14.676 -18.909 1.00 0.00 O ATOM 717 CB GLU A 46 -15.064 12.711 -20.366 1.00 0.00 C ATOM 718 CG GLU A 46 -14.692 11.275 -19.951 1.00 0.00 C ATOM 719 CD GLU A 46 -13.919 10.480 -21.002 1.00 0.00 C ATOM 720 OE1 GLU A 46 -14.196 10.681 -22.206 1.00 0.00 O ATOM 721 OE2 GLU A 46 -13.045 9.695 -20.581 1.00 0.00 O ATOM 0 H GLU A 46 -13.710 12.400 -22.416 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.327 14.655 -20.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.613 13.170 -19.544 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.748 12.652 -21.213 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.096 11.319 -19.039 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.607 10.734 -19.708 1.00 0.00 H new ATOM 728 N GLU A 47 -11.915 12.728 -19.673 1.00 0.00 N ATOM 729 CA GLU A 47 -10.794 12.668 -18.752 1.00 0.00 C ATOM 730 C GLU A 47 -9.829 13.812 -19.063 1.00 0.00 C ATOM 731 O GLU A 47 -9.362 14.490 -18.153 1.00 0.00 O ATOM 732 CB GLU A 47 -10.119 11.295 -18.864 1.00 0.00 C ATOM 733 CG GLU A 47 -9.055 11.087 -17.779 1.00 0.00 C ATOM 734 CD GLU A 47 -8.452 9.689 -17.865 1.00 0.00 C ATOM 735 OE1 GLU A 47 -7.925 9.364 -18.951 1.00 0.00 O ATOM 736 OE2 GLU A 47 -8.535 8.967 -16.847 1.00 0.00 O ATOM 0 H GLU A 47 -11.963 11.933 -20.310 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.132 12.787 -17.723 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.874 10.513 -18.786 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.658 11.197 -19.847 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.268 11.833 -17.888 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.500 11.235 -16.795 1.00 0.00 H new ATOM 743 N ILE A 48 -9.555 14.046 -20.349 1.00 0.00 N ATOM 744 CA ILE A 48 -8.742 15.170 -20.797 1.00 0.00 C ATOM 745 C ILE A 48 -9.334 16.483 -20.274 1.00 0.00 C ATOM 746 O ILE A 48 -8.608 17.306 -19.725 1.00 0.00 O ATOM 747 CB ILE A 48 -8.613 15.159 -22.332 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.846 13.924 -22.839 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.964 16.448 -22.853 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.327 14.028 -22.666 1.00 0.00 C ATOM 0 H ILE A 48 -9.894 13.456 -21.109 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.735 15.078 -20.390 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.627 15.104 -22.729 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.204 13.042 -22.308 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.073 13.774 -23.895 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.889 16.404 -23.940 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.574 17.304 -22.565 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.967 16.552 -22.425 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.855 13.122 -23.045 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.956 14.890 -23.220 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.088 14.146 -21.609 1.00 0.00 H new ATOM 762 N LYS A 49 -10.643 16.693 -20.430 1.00 0.00 N ATOM 763 CA LYS A 49 -11.295 17.896 -19.933 1.00 0.00 C ATOM 764 C LYS A 49 -11.118 18.026 -18.418 1.00 0.00 C ATOM 765 O LYS A 49 -10.715 19.088 -17.942 1.00 0.00 O ATOM 766 CB LYS A 49 -12.775 17.915 -20.336 1.00 0.00 C ATOM 767 CG LYS A 49 -12.975 18.109 -21.847 1.00 0.00 C ATOM 768 CD LYS A 49 -13.304 19.560 -22.237 1.00 0.00 C ATOM 769 CE LYS A 49 -12.200 20.575 -21.913 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.944 20.272 -22.625 1.00 0.00 N ATOM 0 H LYS A 49 -11.270 16.040 -20.899 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.818 18.762 -20.391 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.243 16.980 -20.029 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.283 18.717 -19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.071 17.796 -22.369 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.780 17.458 -22.186 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.511 19.597 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.218 19.861 -21.725 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.537 21.576 -22.183 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.016 20.580 -20.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.196 20.059 -21.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.087 19.450 -23.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.662 21.094 -23.197 1.00 0.00 H new ATOM 784 N LYS A 50 -11.409 16.961 -17.662 1.00 0.00 N ATOM 785 CA LYS A 50 -11.223 16.972 -16.215 1.00 0.00 C ATOM 786 C LYS A 50 -9.781 17.355 -15.861 1.00 0.00 C ATOM 787 O LYS A 50 -9.562 18.332 -15.148 1.00 0.00 O ATOM 788 CB LYS A 50 -11.612 15.616 -15.610 1.00 0.00 C ATOM 789 CG LYS A 50 -13.121 15.333 -15.676 1.00 0.00 C ATOM 790 CD LYS A 50 -13.913 16.150 -14.645 1.00 0.00 C ATOM 791 CE LYS A 50 -15.391 15.746 -14.669 1.00 0.00 C ATOM 792 NZ LYS A 50 -16.175 16.519 -13.688 1.00 0.00 N ATOM 0 H LYS A 50 -11.774 16.083 -18.032 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.881 17.726 -15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.077 14.825 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.288 15.583 -14.570 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.488 15.562 -16.677 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.297 14.271 -15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.501 15.989 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.816 17.214 -14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.797 15.905 -15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.483 14.682 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.171 16.223 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.801 16.348 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.106 17.533 -13.910 1.00 0.00 H new ATOM 806 N MET A 51 -8.806 16.612 -16.393 1.00 0.00 N ATOM 807 CA MET A 51 -7.385 16.857 -16.231 1.00 0.00 C ATOM 808 C MET A 51 -7.070 18.332 -16.493 1.00 0.00 C ATOM 809 O MET A 51 -6.604 19.036 -15.599 1.00 0.00 O ATOM 810 CB MET A 51 -6.641 15.915 -17.190 1.00 0.00 C ATOM 811 CG MET A 51 -5.144 16.194 -17.287 1.00 0.00 C ATOM 812 SD MET A 51 -4.282 15.132 -18.472 1.00 0.00 S ATOM 813 CE MET A 51 -2.641 15.880 -18.420 1.00 0.00 C ATOM 0 H MET A 51 -9.001 15.793 -16.969 1.00 0.00 H new ATOM 0 HA MET A 51 -7.060 16.653 -15.211 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.789 14.886 -16.862 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.082 16.000 -18.183 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.995 17.236 -17.571 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.695 16.064 -16.302 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.976 15.345 -19.098 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.707 16.924 -18.726 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.247 15.824 -17.405 1.00 0.00 H new ATOM 823 N ILE A 52 -7.324 18.798 -17.718 1.00 0.00 N ATOM 824 CA ILE A 52 -7.052 20.170 -18.118 1.00 0.00 C ATOM 825 C ILE A 52 -7.660 21.130 -17.101 1.00 0.00 C ATOM 826 O ILE A 52 -6.962 22.017 -16.625 1.00 0.00 O ATOM 827 CB ILE A 52 -7.533 20.424 -19.562 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.566 19.716 -20.530 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.603 21.925 -19.894 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.005 19.793 -21.995 1.00 0.00 C ATOM 0 H ILE A 52 -7.727 18.226 -18.461 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.977 20.349 -18.125 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.543 20.027 -19.666 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.576 20.160 -20.432 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.476 18.669 -20.240 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.946 22.055 -20.920 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.299 22.416 -19.214 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.614 22.369 -19.783 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.278 19.274 -22.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.982 19.323 -22.107 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.068 20.837 -22.302 1.00 0.00 H new ATOM 842 N SER A 53 -8.929 20.949 -16.733 1.00 0.00 N ATOM 843 CA SER A 53 -9.577 21.824 -15.766 1.00 0.00 C ATOM 844 C SER A 53 -8.837 21.829 -14.426 1.00 0.00 C ATOM 845 O SER A 53 -8.530 22.893 -13.896 1.00 0.00 O ATOM 846 CB SER A 53 -11.046 21.430 -15.593 1.00 0.00 C ATOM 847 OG SER A 53 -11.701 21.423 -16.847 1.00 0.00 O ATOM 0 H SER A 53 -9.525 20.203 -17.092 1.00 0.00 H new ATOM 0 HA SER A 53 -9.540 22.843 -16.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.114 20.444 -15.134 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.541 22.130 -14.920 1.00 0.00 H new ATOM 0 HG SER A 53 -11.457 20.611 -17.339 1.00 0.00 H new ATOM 853 N GLU A 54 -8.537 20.646 -13.882 1.00 0.00 N ATOM 854 CA GLU A 54 -7.825 20.515 -12.618 1.00 0.00 C ATOM 855 C GLU A 54 -6.476 21.239 -12.669 1.00 0.00 C ATOM 856 O GLU A 54 -6.114 21.932 -11.721 1.00 0.00 O ATOM 857 CB GLU A 54 -7.649 19.033 -12.265 1.00 0.00 C ATOM 858 CG GLU A 54 -8.987 18.386 -11.880 1.00 0.00 C ATOM 859 CD GLU A 54 -8.837 16.880 -11.695 1.00 0.00 C ATOM 860 OE1 GLU A 54 -8.938 16.168 -12.717 1.00 0.00 O ATOM 861 OE2 GLU A 54 -8.615 16.470 -10.534 1.00 0.00 O ATOM 0 H GLU A 54 -8.784 19.754 -14.310 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.417 20.987 -11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.218 18.504 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.945 18.935 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.358 18.833 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.728 18.588 -12.653 1.00 0.00 H new ATOM 868 N ILE A 55 -5.724 21.071 -13.758 1.00 0.00 N ATOM 869 CA ILE A 55 -4.432 21.732 -13.914 1.00 0.00 C ATOM 870 C ILE A 55 -4.610 23.238 -14.162 1.00 0.00 C ATOM 871 O ILE A 55 -3.787 24.043 -13.721 1.00 0.00 O ATOM 872 CB ILE A 55 -3.627 21.043 -15.032 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.396 19.543 -14.761 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.275 21.733 -15.253 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.839 19.216 -13.370 1.00 0.00 C ATOM 0 H ILE A 55 -5.991 20.481 -14.546 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.864 21.637 -12.988 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.233 21.133 -15.934 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.341 19.016 -14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.708 19.155 -15.512 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.732 21.223 -16.048 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.439 22.773 -15.535 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.692 21.694 -14.333 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.710 18.138 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.876 19.709 -13.238 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.534 19.568 -12.608 1.00 0.00 H new ATOM 887 N ASP A 56 -5.668 23.636 -14.871 1.00 0.00 N ATOM 888 CA ASP A 56 -5.913 25.018 -15.251 1.00 0.00 C ATOM 889 C ASP A 56 -6.446 25.810 -14.055 1.00 0.00 C ATOM 890 O ASP A 56 -7.618 26.175 -14.005 1.00 0.00 O ATOM 891 CB ASP A 56 -6.875 25.055 -16.447 1.00 0.00 C ATOM 892 CG ASP A 56 -7.116 26.465 -16.973 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.507 27.407 -16.424 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.905 26.578 -17.938 1.00 0.00 O ATOM 0 H ASP A 56 -6.387 22.992 -15.200 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.980 25.491 -15.556 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.472 24.437 -17.250 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.828 24.615 -16.154 1.00 0.00 H new ATOM 899 N LYS A 57 -5.560 26.102 -13.103 1.00 0.00 N ATOM 900 CA LYS A 57 -5.863 26.941 -11.953 1.00 0.00 C ATOM 901 C LYS A 57 -6.378 28.318 -12.393 1.00 0.00 C ATOM 902 O LYS A 57 -7.334 28.835 -11.823 1.00 0.00 O ATOM 903 CB LYS A 57 -4.614 27.106 -11.067 1.00 0.00 C ATOM 904 CG LYS A 57 -3.878 25.804 -10.722 1.00 0.00 C ATOM 905 CD LYS A 57 -4.804 24.727 -10.144 1.00 0.00 C ATOM 906 CE LYS A 57 -3.982 23.509 -9.712 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.853 22.421 -9.238 1.00 0.00 N ATOM 0 H LYS A 57 -4.601 25.756 -13.113 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.647 26.450 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.917 27.775 -11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.909 27.594 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.396 25.417 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.087 26.020 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.353 25.127 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.543 24.432 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.380 23.158 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.290 23.796 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.268 21.642 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.470 22.776 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.437 22.075 -10.026 1.00 0.00 H new ATOM 951 N GLY A 61 -7.978 27.999 -20.340 1.00 0.00 N ATOM 952 CA GLY A 61 -7.888 27.378 -21.655 1.00 0.00 C ATOM 953 C GLY A 61 -6.435 27.152 -22.073 1.00 0.00 C ATOM 954 O GLY A 61 -6.163 26.272 -22.895 1.00 0.00 O ATOM 0 HA2 GLY A 61 -8.417 26.425 -21.645 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.385 28.010 -22.391 1.00 0.00 H new ATOM 958 N THR A 62 -5.505 27.925 -21.495 1.00 0.00 N ATOM 959 CA THR A 62 -4.082 27.685 -21.630 1.00 0.00 C ATOM 960 C THR A 62 -3.525 27.172 -20.300 1.00 0.00 C ATOM 961 O THR A 62 -4.156 27.334 -19.256 1.00 0.00 O ATOM 962 CB THR A 62 -3.360 28.937 -22.155 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.262 29.959 -21.181 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.040 29.523 -23.397 1.00 0.00 C ATOM 0 H THR A 62 -5.732 28.736 -20.920 1.00 0.00 H new ATOM 0 HA THR A 62 -3.904 26.910 -22.376 1.00 0.00 H new ATOM 0 HB THR A 62 -2.359 28.593 -22.415 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.545 30.579 -21.429 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.493 30.405 -23.729 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.047 28.779 -24.193 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.065 29.802 -23.153 1.00 0.00 H new ATOM 972 N ILE A 63 -2.362 26.524 -20.351 1.00 0.00 N ATOM 973 CA ILE A 63 -1.639 25.971 -19.221 1.00 0.00 C ATOM 974 C ILE A 63 -0.305 26.719 -19.142 1.00 0.00 C ATOM 975 O ILE A 63 0.559 26.556 -20.005 1.00 0.00 O ATOM 976 CB ILE A 63 -1.450 24.454 -19.416 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.775 23.704 -19.653 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.683 23.835 -18.240 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.787 23.815 -18.507 1.00 0.00 C ATOM 0 H ILE A 63 -1.877 26.365 -21.234 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.182 26.097 -18.285 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.857 24.338 -20.323 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.235 24.086 -20.564 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.555 22.650 -19.825 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.565 22.764 -18.406 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.300 24.300 -18.161 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.238 24.000 -17.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.688 23.257 -18.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.351 23.405 -17.596 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.042 24.863 -18.347 1.00 0.00 H new ATOM 991 N ASP A 64 -0.151 27.572 -18.129 1.00 0.00 N ATOM 992 CA ASP A 64 1.091 28.275 -17.845 1.00 0.00 C ATOM 993 C ASP A 64 2.152 27.291 -17.353 1.00 0.00 C ATOM 994 O ASP A 64 1.819 26.241 -16.804 1.00 0.00 O ATOM 995 CB ASP A 64 0.827 29.372 -16.804 1.00 0.00 C ATOM 996 CG ASP A 64 2.109 30.094 -16.398 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.495 31.025 -17.135 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.707 29.661 -15.387 1.00 0.00 O ATOM 0 H ASP A 64 -0.901 27.795 -17.474 1.00 0.00 H new ATOM 0 HA ASP A 64 1.466 28.742 -18.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.117 30.093 -17.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.364 28.931 -15.921 1.00 0.00 H new ATOM 1003 N PHE A 65 3.430 27.646 -17.517 1.00 0.00 N ATOM 1004 CA PHE A 65 4.548 26.840 -17.046 1.00 0.00 C ATOM 1005 C PHE A 65 4.342 26.350 -15.611 1.00 0.00 C ATOM 1006 O PHE A 65 4.542 25.173 -15.339 1.00 0.00 O ATOM 1007 CB PHE A 65 5.867 27.606 -17.170 1.00 0.00 C ATOM 1008 CG PHE A 65 7.038 26.810 -16.633 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.536 25.726 -17.379 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.459 26.988 -15.300 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.539 24.902 -16.841 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.448 26.150 -14.755 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.009 25.125 -15.537 1.00 0.00 C ATOM 0 H PHE A 65 3.714 28.507 -17.984 1.00 0.00 H new ATOM 0 HA PHE A 65 4.596 25.959 -17.686 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.046 27.853 -18.217 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.791 28.549 -16.629 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.147 25.527 -18.367 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.021 27.769 -14.696 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.949 24.096 -17.431 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.776 26.294 -13.736 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.801 24.510 -15.135 1.00 0.00 H new ATOM 1023 N GLU A 66 3.934 27.225 -14.687 1.00 0.00 N ATOM 1024 CA GLU A 66 3.715 26.829 -13.300 1.00 0.00 C ATOM 1025 C GLU A 66 2.668 25.710 -13.212 1.00 0.00 C ATOM 1026 O GLU A 66 2.845 24.731 -12.488 1.00 0.00 O ATOM 1027 CB GLU A 66 3.303 28.047 -12.464 1.00 0.00 C ATOM 1028 CG GLU A 66 4.416 29.102 -12.416 1.00 0.00 C ATOM 1029 CD GLU A 66 4.023 30.284 -11.534 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.290 31.156 -12.047 1.00 0.00 O ATOM 1031 OE2 GLU A 66 4.455 30.286 -10.361 1.00 0.00 O ATOM 0 H GLU A 66 3.750 28.210 -14.878 1.00 0.00 H new ATOM 0 HA GLU A 66 4.648 26.437 -12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.400 28.489 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.059 27.728 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.332 28.650 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.630 29.454 -13.425 1.00 0.00 H new ATOM 1038 N GLU A 67 1.575 25.845 -13.964 1.00 0.00 N ATOM 1039 CA GLU A 67 0.511 24.853 -13.998 1.00 0.00 C ATOM 1040 C GLU A 67 1.044 23.543 -14.600 1.00 0.00 C ATOM 1041 O GLU A 67 0.791 22.461 -14.072 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.691 25.417 -14.772 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.272 26.681 -14.112 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.375 27.323 -14.953 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.125 27.522 -16.160 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.440 27.646 -14.382 1.00 0.00 O ATOM 0 H GLU A 67 1.407 26.650 -14.567 1.00 0.00 H new ATOM 0 HA GLU A 67 0.168 24.626 -12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.386 25.650 -15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.468 24.655 -14.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.670 26.425 -13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.473 27.405 -13.953 1.00 0.00 H new ATOM 1053 N PHE A 68 1.823 23.638 -15.680 1.00 0.00 N ATOM 1054 CA PHE A 68 2.458 22.481 -16.303 1.00 0.00 C ATOM 1055 C PHE A 68 3.359 21.756 -15.296 1.00 0.00 C ATOM 1056 O PHE A 68 3.274 20.542 -15.118 1.00 0.00 O ATOM 1057 CB PHE A 68 3.240 22.942 -17.537 1.00 0.00 C ATOM 1058 CG PHE A 68 3.782 21.822 -18.402 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.914 21.130 -19.267 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.170 21.607 -18.484 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.433 20.235 -20.219 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.689 20.726 -19.450 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.821 20.043 -20.317 1.00 0.00 C ATOM 0 H PHE A 68 2.030 24.522 -16.146 1.00 0.00 H new ATOM 0 HA PHE A 68 1.697 21.769 -16.622 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.591 23.571 -18.146 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.073 23.565 -17.210 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.848 21.287 -19.199 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.837 22.118 -17.805 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.765 19.696 -20.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.756 20.575 -19.525 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.221 19.369 -21.060 1.00 0.00 H new ATOM 1073 N LEU A 69 4.214 22.509 -14.603 1.00 0.00 N ATOM 1074 CA LEU A 69 5.066 21.985 -13.551 1.00 0.00 C ATOM 1075 C LEU A 69 4.212 21.337 -12.459 1.00 0.00 C ATOM 1076 O LEU A 69 4.552 20.260 -11.980 1.00 0.00 O ATOM 1077 CB LEU A 69 5.986 23.095 -13.024 1.00 0.00 C ATOM 1078 CG LEU A 69 7.019 22.576 -12.007 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.315 23.385 -12.121 1.00 0.00 C ATOM 1080 CD2 LEU A 69 6.502 22.678 -10.565 1.00 0.00 C ATOM 0 H LEU A 69 4.331 23.510 -14.763 1.00 0.00 H new ATOM 0 HA LEU A 69 5.713 21.201 -13.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.508 23.558 -13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.381 23.872 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 69 7.201 21.526 -12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.041 23.012 -11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.720 23.284 -13.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.107 24.436 -11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.261 22.302 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.284 23.720 -10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.593 22.085 -10.462 1.00 0.00 H new ATOM 1092 N THR A 70 3.098 21.960 -12.067 1.00 0.00 N ATOM 1093 CA THR A 70 2.179 21.356 -11.107 1.00 0.00 C ATOM 1094 C THR A 70 1.702 19.987 -11.615 1.00 0.00 C ATOM 1095 O THR A 70 1.748 19.008 -10.873 1.00 0.00 O ATOM 1096 CB THR A 70 1.015 22.307 -10.785 1.00 0.00 C ATOM 1097 OG1 THR A 70 1.521 23.554 -10.357 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.136 21.754 -9.660 1.00 0.00 C ATOM 0 H THR A 70 2.813 22.881 -12.401 1.00 0.00 H new ATOM 0 HA THR A 70 2.707 21.186 -10.169 1.00 0.00 H new ATOM 0 HB THR A 70 0.422 22.413 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.897 24.035 -11.124 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.677 22.451 -9.458 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.278 20.791 -9.961 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.736 21.625 -8.759 1.00 0.00 H new ATOM 1106 N MET A 71 1.280 19.900 -12.881 1.00 0.00 N ATOM 1107 CA MET A 71 0.906 18.631 -13.498 1.00 0.00 C ATOM 1108 C MET A 71 2.053 17.619 -13.392 1.00 0.00 C ATOM 1109 O MET A 71 1.843 16.485 -12.958 1.00 0.00 O ATOM 1110 CB MET A 71 0.441 18.875 -14.942 1.00 0.00 C ATOM 1111 CG MET A 71 -0.173 17.638 -15.617 1.00 0.00 C ATOM 1112 SD MET A 71 0.962 16.365 -16.234 1.00 0.00 S ATOM 1113 CE MET A 71 1.850 17.276 -17.519 1.00 0.00 C ATOM 0 H MET A 71 1.190 20.705 -13.501 1.00 0.00 H new ATOM 0 HA MET A 71 0.066 18.190 -12.962 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.293 19.680 -14.945 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.290 19.216 -15.534 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.849 17.167 -14.903 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.781 17.980 -16.455 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.383 16.574 -18.160 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.140 17.847 -18.117 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.563 17.957 -17.055 1.00 0.00 H new ATOM 1123 N MET A 72 3.276 18.030 -13.746 1.00 0.00 N ATOM 1124 CA MET A 72 4.441 17.159 -13.639 1.00 0.00 C ATOM 1125 C MET A 72 4.609 16.671 -12.199 1.00 0.00 C ATOM 1126 O MET A 72 4.782 15.478 -11.968 1.00 0.00 O ATOM 1127 CB MET A 72 5.700 17.878 -14.140 1.00 0.00 C ATOM 1128 CG MET A 72 5.650 18.130 -15.650 1.00 0.00 C ATOM 1129 SD MET A 72 5.870 16.654 -16.674 1.00 0.00 S ATOM 1130 CE MET A 72 5.768 17.393 -18.316 1.00 0.00 C ATOM 0 H MET A 72 3.480 18.961 -14.109 1.00 0.00 H new ATOM 0 HA MET A 72 4.287 16.285 -14.272 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.808 18.828 -13.617 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.579 17.280 -13.900 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.691 18.586 -15.896 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.423 18.853 -15.909 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.938 16.626 -19.071 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.779 17.830 -18.458 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.525 18.171 -18.413 1.00 0.00 H new