USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.845! USER MOD Single : A 10 TYR OH : rot 10:sc= 0.0228 USER MOD Single : A 12 SER OG : rot 180:sc= 0.109 USER MOD Single : A 13 GLN : amide:sc= 0.0084 X(o=0.0084,f=0) USER MOD Single : A 14 SER OG : rot -73:sc= 0.674 USER MOD Single : A 18 SER OG : rot -19:sc= 0.793! USER MOD Single : A 20 MET CE :methyl -147:sc= -11! (180deg=-16.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 79:sc= -0.178 USER MOD Single : A 27 SER OG : rot -110:sc= -0.203 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= 0.0444 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -102:sc= -0.363 (180deg=-4.46!) USER MOD Single : A 44 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 58 MET CE :methyl -137:sc= -4.61! (180deg=-5.79!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 135:sc= -0.347 (180deg=-1.32!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.049 -41.446 -4.474 1.00 0.00 N ATOM 2 CA HIS A 1 -0.371 -40.180 -4.068 1.00 0.00 C ATOM 3 C HIS A 1 0.068 -40.264 -2.602 1.00 0.00 C ATOM 4 O HIS A 1 -0.124 -41.267 -1.944 1.00 0.00 O ATOM 5 CB HIS A 1 -1.428 -39.090 -4.251 1.00 0.00 C ATOM 6 CG HIS A 1 -0.949 -38.092 -5.270 1.00 0.00 C ATOM 7 ND1 HIS A 1 -1.101 -38.295 -6.634 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.321 -36.877 -5.140 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.576 -37.227 -7.264 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.086 -36.334 -6.400 1.00 0.00 N ATOM 0 H1 HIS A 1 -1.343 -41.379 -5.469 1.00 0.00 H new ATOM 0 H2 HIS A 1 -0.392 -42.244 -4.360 1.00 0.00 H new ATOM 0 H3 HIS A 1 -1.886 -41.599 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 1 0.525 -39.982 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -2.370 -39.533 -4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -1.620 -38.592 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.051 -36.414 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.554 -37.107 -8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 1 0.364 -35.445 -6.617 1.00 0.00 H new ATOM 20 N PHE A 2 0.654 -39.217 -2.088 1.00 0.00 N ATOM 21 CA PHE A 2 1.103 -39.236 -0.667 1.00 0.00 C ATOM 22 C PHE A 2 1.011 -37.831 -0.066 1.00 0.00 C ATOM 23 O PHE A 2 1.586 -36.890 -0.576 1.00 0.00 O ATOM 24 CB PHE A 2 2.557 -39.705 -0.718 1.00 0.00 C ATOM 25 CG PHE A 2 3.072 -39.912 0.687 1.00 0.00 C ATOM 26 CD1 PHE A 2 3.384 -38.807 1.488 1.00 0.00 C ATOM 27 CD2 PHE A 2 3.236 -41.208 1.188 1.00 0.00 C ATOM 28 CE1 PHE A 2 3.862 -38.999 2.790 1.00 0.00 C ATOM 29 CE2 PHE A 2 3.714 -41.401 2.490 1.00 0.00 C ATOM 30 CZ PHE A 2 4.026 -40.297 3.291 1.00 0.00 C ATOM 0 H PHE A 2 0.841 -38.349 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 2 0.487 -39.887 -0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.630 -40.634 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.170 -38.967 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.256 -37.807 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.994 -42.060 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.104 -38.147 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.842 -42.402 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.393 -40.446 4.296 1.00 0.00 H new ATOM 40 N ALA A 3 0.292 -37.681 1.012 1.00 0.00 N ATOM 41 CA ALA A 3 0.165 -36.335 1.641 1.00 0.00 C ATOM 42 C ALA A 3 1.144 -36.199 2.810 1.00 0.00 C ATOM 43 O ALA A 3 1.853 -37.126 3.150 1.00 0.00 O ATOM 44 CB ALA A 3 -1.279 -36.267 2.142 1.00 0.00 C ATOM 0 H ALA A 3 -0.213 -38.431 1.485 1.00 0.00 H new ATOM 0 HA ALA A 3 0.394 -35.531 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.453 -35.303 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.962 -36.384 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.452 -37.066 2.863 1.00 0.00 H new ATOM 50 N ALA A 4 1.186 -35.050 3.428 1.00 0.00 N ATOM 51 CA ALA A 4 2.117 -34.853 4.576 1.00 0.00 C ATOM 52 C ALA A 4 1.457 -33.968 5.637 1.00 0.00 C ATOM 53 O ALA A 4 1.165 -34.406 6.732 1.00 0.00 O ATOM 54 CB ALA A 4 3.339 -34.156 3.979 1.00 0.00 C ATOM 0 H ALA A 4 0.616 -34.239 3.188 1.00 0.00 H new ATOM 0 HA ALA A 4 2.383 -35.791 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.074 -33.975 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.779 -34.789 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.037 -33.206 3.539 1.00 0.00 H new ATOM 60 N ASP A 5 1.219 -32.725 5.318 1.00 0.00 N ATOM 61 CA ASP A 5 0.574 -31.811 6.305 1.00 0.00 C ATOM 62 C ASP A 5 -0.794 -31.362 5.786 1.00 0.00 C ATOM 63 O ASP A 5 -0.986 -31.172 4.602 1.00 0.00 O ATOM 64 CB ASP A 5 1.522 -30.617 6.421 1.00 0.00 C ATOM 65 CG ASP A 5 2.961 -31.116 6.568 1.00 0.00 C ATOM 66 OD1 ASP A 5 3.538 -31.504 5.565 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.461 -31.102 7.680 1.00 0.00 O ATOM 0 H ASP A 5 1.443 -32.302 4.417 1.00 0.00 H new ATOM 0 HA ASP A 5 0.409 -32.292 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.435 -29.983 5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.249 -30.005 7.281 1.00 0.00 H new ATOM 72 N CYS A 6 -1.745 -31.190 6.662 1.00 0.00 N ATOM 73 CA CYS A 6 -3.098 -30.753 6.214 1.00 0.00 C ATOM 74 C CYS A 6 -3.751 -29.874 7.283 1.00 0.00 C ATOM 75 O CYS A 6 -3.491 -30.017 8.461 1.00 0.00 O ATOM 76 CB CYS A 6 -3.892 -32.048 6.027 1.00 0.00 C ATOM 77 SG CYS A 6 -3.474 -32.787 4.428 1.00 0.00 S ATOM 0 H CYS A 6 -1.645 -31.333 7.667 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.058 -30.163 5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.665 -32.746 6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.961 -31.842 6.076 1.00 0.00 H new ATOM 82 N CYS A 7 -4.597 -28.965 6.882 1.00 0.00 N ATOM 83 CA CYS A 7 -5.264 -28.079 7.874 1.00 0.00 C ATOM 84 C CYS A 7 -6.582 -28.704 8.337 1.00 0.00 C ATOM 85 O CYS A 7 -7.350 -29.215 7.546 1.00 0.00 O ATOM 86 CB CYS A 7 -5.537 -26.779 7.120 1.00 0.00 C ATOM 87 SG CYS A 7 -4.226 -25.576 7.461 1.00 0.00 S ATOM 0 H CYS A 7 -4.854 -28.798 5.909 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.652 -27.921 8.762 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.592 -26.975 6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.503 -26.371 7.420 1.00 0.00 H new ATOM 92 N THR A 8 -6.857 -28.650 9.608 1.00 0.00 N ATOM 93 CA THR A 8 -8.134 -29.224 10.121 1.00 0.00 C ATOM 94 C THR A 8 -9.145 -28.093 10.325 1.00 0.00 C ATOM 95 O THR A 8 -10.334 -28.315 10.441 1.00 0.00 O ATOM 96 CB THR A 8 -7.774 -29.878 11.454 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.906 -30.574 11.958 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.347 -28.803 12.455 1.00 0.00 C ATOM 0 H THR A 8 -6.253 -28.233 10.317 1.00 0.00 H new ATOM 0 HA THR A 8 -8.581 -29.944 9.436 1.00 0.00 H new ATOM 0 HB THR A 8 -6.952 -30.578 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.677 -30.996 12.812 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.091 -29.272 13.405 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.479 -28.269 12.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.167 -28.101 12.606 1.00 0.00 H new ATOM 106 N SER A 9 -8.667 -26.881 10.361 1.00 0.00 N ATOM 107 CA SER A 9 -9.572 -25.713 10.547 1.00 0.00 C ATOM 108 C SER A 9 -8.863 -24.444 10.068 1.00 0.00 C ATOM 109 O SER A 9 -7.982 -24.497 9.233 1.00 0.00 O ATOM 110 CB SER A 9 -9.839 -25.649 12.051 1.00 0.00 C ATOM 111 OG SER A 9 -8.984 -24.682 12.643 1.00 0.00 O ATOM 0 H SER A 9 -7.678 -26.648 10.269 1.00 0.00 H new ATOM 0 HA SER A 9 -10.500 -25.803 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.882 -25.390 12.235 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.669 -26.626 12.503 1.00 0.00 H new ATOM 0 HG SER A 9 -9.156 -24.639 13.607 1.00 0.00 H new ATOM 117 N TYR A 10 -9.227 -23.306 10.589 1.00 0.00 N ATOM 118 CA TYR A 10 -8.555 -22.048 10.153 1.00 0.00 C ATOM 119 C TYR A 10 -8.543 -21.027 11.294 1.00 0.00 C ATOM 120 O TYR A 10 -9.396 -21.036 12.160 1.00 0.00 O ATOM 121 CB TYR A 10 -9.384 -21.545 8.969 1.00 0.00 C ATOM 122 CG TYR A 10 -9.370 -22.589 7.878 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.172 -22.901 7.223 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.552 -23.252 7.527 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.157 -23.874 6.217 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.536 -24.227 6.522 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.338 -24.538 5.868 1.00 0.00 C ATOM 128 OH TYR A 10 -9.322 -25.499 4.877 1.00 0.00 O ATOM 0 H TYR A 10 -9.956 -23.191 11.293 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.514 -22.209 9.874 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.408 -21.345 9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.976 -20.606 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.260 -22.391 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.476 -23.011 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.234 -24.112 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.448 -24.739 6.252 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.395 -25.701 4.632 1.00 0.00 H new ATOM 138 N ILE A 11 -7.578 -20.150 11.299 1.00 0.00 N ATOM 139 CA ILE A 11 -7.498 -19.128 12.379 1.00 0.00 C ATOM 140 C ILE A 11 -8.837 -18.394 12.498 1.00 0.00 C ATOM 141 O ILE A 11 -9.754 -18.631 11.736 1.00 0.00 O ATOM 142 CB ILE A 11 -6.380 -18.165 11.951 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.868 -17.278 10.802 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.144 -18.953 11.503 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.022 -18.110 9.527 1.00 0.00 C ATOM 0 H ILE A 11 -6.838 -20.097 10.598 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.287 -19.569 13.353 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.113 -17.539 12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.822 -16.820 11.065 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.161 -16.466 10.633 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.359 -18.259 11.202 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.787 -19.569 12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.406 -19.592 10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.369 -17.471 8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.060 -18.546 9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.747 -18.906 9.697 1.00 0.00 H new ATOM 157 N SER A 12 -8.965 -17.512 13.452 1.00 0.00 N ATOM 158 CA SER A 12 -10.253 -16.778 13.618 1.00 0.00 C ATOM 159 C SER A 12 -10.159 -15.376 13.008 1.00 0.00 C ATOM 160 O SER A 12 -11.101 -14.610 13.042 1.00 0.00 O ATOM 161 CB SER A 12 -10.474 -16.691 15.130 1.00 0.00 C ATOM 162 OG SER A 12 -9.272 -17.018 15.812 1.00 0.00 O ATOM 0 H SER A 12 -8.236 -17.268 14.122 1.00 0.00 H new ATOM 0 HA SER A 12 -11.076 -17.284 13.113 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.795 -15.686 15.402 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.270 -17.372 15.430 1.00 0.00 H new ATOM 0 HG SER A 12 -9.418 -16.959 16.779 1.00 0.00 H new ATOM 168 N GLN A 13 -9.033 -15.036 12.448 1.00 0.00 N ATOM 169 CA GLN A 13 -8.884 -13.685 11.833 1.00 0.00 C ATOM 170 C GLN A 13 -7.784 -13.710 10.772 1.00 0.00 C ATOM 171 O GLN A 13 -7.254 -14.750 10.443 1.00 0.00 O ATOM 172 CB GLN A 13 -8.490 -12.764 12.989 1.00 0.00 C ATOM 173 CG GLN A 13 -7.237 -13.314 13.673 1.00 0.00 C ATOM 174 CD GLN A 13 -6.399 -12.154 14.212 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.891 -11.326 14.952 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.143 -12.058 13.870 1.00 0.00 N ATOM 0 H GLN A 13 -8.209 -15.634 12.389 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.797 -13.352 11.340 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.302 -11.756 12.618 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.308 -12.693 13.706 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.518 -13.983 14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.652 -13.901 12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.729 -12.753 13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.575 -11.288 14.224 1.00 0.00 H new ATOM 185 N SER A 14 -7.431 -12.576 10.235 1.00 0.00 N ATOM 186 CA SER A 14 -6.357 -12.553 9.202 1.00 0.00 C ATOM 187 C SER A 14 -5.099 -13.227 9.753 1.00 0.00 C ATOM 188 O SER A 14 -4.828 -13.176 10.937 1.00 0.00 O ATOM 189 CB SER A 14 -6.101 -11.071 8.925 1.00 0.00 C ATOM 190 OG SER A 14 -7.261 -10.489 8.350 1.00 0.00 O ATOM 0 H SER A 14 -7.837 -11.669 10.464 1.00 0.00 H new ATOM 0 HA SER A 14 -6.637 -13.087 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.844 -10.556 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.252 -10.958 8.251 1.00 0.00 H new ATOM 0 HG SER A 14 -7.352 -10.789 7.421 1.00 0.00 H new ATOM 196 N ILE A 15 -4.328 -13.861 8.913 1.00 0.00 N ATOM 197 CA ILE A 15 -3.094 -14.535 9.409 1.00 0.00 C ATOM 198 C ILE A 15 -2.055 -13.488 9.818 1.00 0.00 C ATOM 199 O ILE A 15 -1.844 -12.516 9.120 1.00 0.00 O ATOM 200 CB ILE A 15 -2.575 -15.352 8.227 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.485 -16.560 7.996 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.155 -15.837 8.532 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.397 -17.504 9.196 1.00 0.00 C ATOM 0 H ILE A 15 -4.497 -13.942 7.910 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.292 -15.159 10.280 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.567 -14.730 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.514 -16.231 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.189 -17.083 7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.781 -16.421 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.504 -14.978 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.167 -16.458 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.046 -18.364 9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.368 -17.843 9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.714 -16.978 10.097 1.00 0.00 H new ATOM 215 N PRO A 16 -1.435 -13.729 10.938 1.00 0.00 N ATOM 216 CA PRO A 16 -0.401 -12.801 11.450 1.00 0.00 C ATOM 217 C PRO A 16 0.911 -13.008 10.694 1.00 0.00 C ATOM 218 O PRO A 16 1.761 -13.763 11.115 1.00 0.00 O ATOM 219 CB PRO A 16 -0.243 -13.211 12.909 1.00 0.00 C ATOM 220 CG PRO A 16 -0.666 -14.647 12.957 1.00 0.00 C ATOM 221 CD PRO A 16 -1.638 -14.877 11.827 1.00 0.00 C ATOM 0 HA PRO A 16 -0.670 -11.751 11.331 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.788 -13.092 13.243 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.862 -12.595 13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.198 -15.304 12.858 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.132 -14.876 13.915 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.437 -15.818 11.314 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.665 -14.924 12.189 1.00 0.00 H new ATOM 229 N CYS A 17 1.085 -12.344 9.586 1.00 0.00 N ATOM 230 CA CYS A 17 2.355 -12.511 8.818 1.00 0.00 C ATOM 231 C CYS A 17 3.537 -12.085 9.697 1.00 0.00 C ATOM 232 O CYS A 17 4.642 -12.575 9.559 1.00 0.00 O ATOM 233 CB CYS A 17 2.242 -11.581 7.603 1.00 0.00 C ATOM 234 SG CYS A 17 0.627 -11.764 6.800 1.00 0.00 S ATOM 0 H CYS A 17 0.410 -11.697 9.179 1.00 0.00 H new ATOM 0 HA CYS A 17 2.514 -13.545 8.511 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.382 -10.547 7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.035 -11.808 6.891 1.00 0.00 H new ATOM 239 N SER A 18 3.301 -11.174 10.607 1.00 0.00 N ATOM 240 CA SER A 18 4.395 -10.695 11.508 1.00 0.00 C ATOM 241 C SER A 18 4.800 -11.772 12.522 1.00 0.00 C ATOM 242 O SER A 18 5.579 -11.525 13.420 1.00 0.00 O ATOM 243 CB SER A 18 3.804 -9.484 12.230 1.00 0.00 C ATOM 244 OG SER A 18 4.672 -9.089 13.281 1.00 0.00 O ATOM 0 H SER A 18 2.392 -10.739 10.766 1.00 0.00 H new ATOM 0 HA SER A 18 5.297 -10.452 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.666 -8.661 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.820 -9.730 12.630 1.00 0.00 H new ATOM 0 HG SER A 18 5.275 -9.829 13.503 1.00 0.00 H new ATOM 250 N LEU A 19 4.285 -12.962 12.391 1.00 0.00 N ATOM 251 CA LEU A 19 4.648 -14.039 13.346 1.00 0.00 C ATOM 252 C LEU A 19 4.895 -15.338 12.580 1.00 0.00 C ATOM 253 O LEU A 19 4.722 -16.422 13.101 1.00 0.00 O ATOM 254 CB LEU A 19 3.437 -14.179 14.268 1.00 0.00 C ATOM 255 CG LEU A 19 3.641 -13.311 15.512 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.619 -12.172 15.510 1.00 0.00 C ATOM 257 CD2 LEU A 19 3.452 -14.165 16.767 1.00 0.00 C ATOM 0 H LEU A 19 3.627 -13.234 11.661 1.00 0.00 H new ATOM 0 HA LEU A 19 5.555 -13.815 13.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.531 -13.876 13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.305 -15.222 14.557 1.00 0.00 H new ATOM 0 HG LEU A 19 4.649 -12.896 15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.763 -11.553 16.395 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.754 -11.564 14.616 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.611 -12.587 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.597 -13.547 17.653 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.444 -14.581 16.776 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.179 -14.977 16.768 1.00 0.00 H new ATOM 269 N MET A 20 5.304 -15.236 11.344 1.00 0.00 N ATOM 270 CA MET A 20 5.569 -16.469 10.550 1.00 0.00 C ATOM 271 C MET A 20 6.810 -16.274 9.681 1.00 0.00 C ATOM 272 O MET A 20 7.020 -15.227 9.100 1.00 0.00 O ATOM 273 CB MET A 20 4.340 -16.690 9.651 1.00 0.00 C ATOM 274 CG MET A 20 3.064 -16.152 10.308 1.00 0.00 C ATOM 275 SD MET A 20 2.544 -17.261 11.640 1.00 0.00 S ATOM 276 CE MET A 20 0.763 -17.161 11.333 1.00 0.00 C ATOM 0 H MET A 20 5.465 -14.357 10.852 1.00 0.00 H new ATOM 0 HA MET A 20 5.742 -17.324 11.204 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.494 -16.195 8.692 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.224 -17.754 9.445 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.242 -15.152 10.704 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.271 -16.064 9.565 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.226 -17.243 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.528 -16.206 10.864 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.461 -17.974 10.672 1.00 0.00 H new ATOM 286 N LYS A 21 7.636 -17.277 9.591 1.00 0.00 N ATOM 287 CA LYS A 21 8.868 -17.160 8.763 1.00 0.00 C ATOM 288 C LYS A 21 8.605 -17.664 7.340 1.00 0.00 C ATOM 289 O LYS A 21 9.139 -17.141 6.381 1.00 0.00 O ATOM 290 CB LYS A 21 9.894 -18.047 9.468 1.00 0.00 C ATOM 291 CG LYS A 21 11.065 -18.324 8.524 1.00 0.00 C ATOM 292 CD LYS A 21 12.318 -18.622 9.348 1.00 0.00 C ATOM 293 CE LYS A 21 13.405 -17.602 9.009 1.00 0.00 C ATOM 294 NZ LYS A 21 14.025 -18.111 7.753 1.00 0.00 N ATOM 0 H LYS A 21 7.511 -18.176 10.057 1.00 0.00 H new ATOM 0 HA LYS A 21 9.210 -16.129 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.252 -17.558 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.430 -18.985 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.833 -19.169 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.237 -17.464 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.085 -18.581 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.673 -19.631 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.983 -16.607 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.140 -17.526 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.783 -17.465 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.423 -19.057 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.302 -18.167 7.007 1.00 0.00 H new ATOM 308 N SER A 22 7.789 -18.674 7.191 1.00 0.00 N ATOM 309 CA SER A 22 7.504 -19.203 5.825 1.00 0.00 C ATOM 310 C SER A 22 6.059 -19.710 5.742 1.00 0.00 C ATOM 311 O SER A 22 5.305 -19.621 6.687 1.00 0.00 O ATOM 312 CB SER A 22 8.489 -20.357 5.635 1.00 0.00 C ATOM 313 OG SER A 22 9.189 -20.185 4.412 1.00 0.00 O ATOM 0 H SER A 22 7.309 -19.154 7.953 1.00 0.00 H new ATOM 0 HA SER A 22 7.616 -18.440 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.192 -20.390 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.956 -21.308 5.631 1.00 0.00 H new ATOM 0 HG SER A 22 9.822 -20.923 4.291 1.00 0.00 H new ATOM 319 N TYR A 23 5.674 -20.242 4.613 1.00 0.00 N ATOM 320 CA TYR A 23 4.283 -20.764 4.462 1.00 0.00 C ATOM 321 C TYR A 23 4.280 -21.925 3.464 1.00 0.00 C ATOM 322 O TYR A 23 5.103 -21.982 2.572 1.00 0.00 O ATOM 323 CB TYR A 23 3.468 -19.585 3.925 1.00 0.00 C ATOM 324 CG TYR A 23 3.844 -19.326 2.484 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.317 -20.131 1.466 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.721 -18.283 2.166 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.669 -19.891 0.131 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.072 -18.043 0.833 1.00 0.00 C ATOM 329 CZ TYR A 23 4.546 -18.846 -0.185 1.00 0.00 C ATOM 330 OH TYR A 23 4.893 -18.609 -1.500 1.00 0.00 O ATOM 0 H TYR A 23 6.264 -20.338 3.786 1.00 0.00 H new ATOM 0 HA TYR A 23 3.871 -21.140 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.402 -19.802 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.656 -18.696 4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.640 -20.936 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.128 -17.662 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.264 -20.512 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.749 -17.238 0.590 1.00 0.00 H new ATOM 0 HH TYR A 23 5.508 -17.848 -1.544 1.00 0.00 H new ATOM 340 N PHE A 24 3.370 -22.852 3.596 1.00 0.00 N ATOM 341 CA PHE A 24 3.350 -23.995 2.637 1.00 0.00 C ATOM 342 C PHE A 24 1.920 -24.493 2.412 1.00 0.00 C ATOM 343 O PHE A 24 1.088 -24.449 3.295 1.00 0.00 O ATOM 344 CB PHE A 24 4.219 -25.080 3.285 1.00 0.00 C ATOM 345 CG PHE A 24 3.421 -25.858 4.312 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.506 -26.836 3.898 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.607 -25.607 5.678 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.778 -27.560 4.850 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.878 -26.333 6.629 1.00 0.00 C ATOM 350 CZ PHE A 24 1.964 -27.310 6.214 1.00 0.00 C ATOM 0 H PHE A 24 2.648 -22.869 4.316 1.00 0.00 H new ATOM 0 HA PHE A 24 3.729 -23.710 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.595 -25.758 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.087 -24.623 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.363 -27.031 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.312 -24.854 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.072 -28.312 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.021 -26.139 7.682 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.403 -27.870 6.947 1.00 0.00 H new ATOM 360 N GLU A 25 1.636 -24.969 1.231 1.00 0.00 N ATOM 361 CA GLU A 25 0.268 -25.477 0.939 1.00 0.00 C ATOM 362 C GLU A 25 0.201 -26.978 1.224 1.00 0.00 C ATOM 363 O GLU A 25 1.140 -27.708 0.978 1.00 0.00 O ATOM 364 CB GLU A 25 0.049 -25.200 -0.549 1.00 0.00 C ATOM 365 CG GLU A 25 0.250 -23.708 -0.826 1.00 0.00 C ATOM 366 CD GLU A 25 0.241 -23.463 -2.335 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.726 -24.318 -3.058 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.251 -22.424 -2.745 1.00 0.00 O ATOM 0 H GLU A 25 2.295 -25.028 0.454 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.495 -24.999 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.746 -25.789 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.956 -25.503 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.540 -23.129 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.194 -23.372 -0.398 1.00 0.00 H new ATOM 375 N THR A 26 -0.897 -27.444 1.744 1.00 0.00 N ATOM 376 CA THR A 26 -1.015 -28.897 2.047 1.00 0.00 C ATOM 377 C THR A 26 -1.142 -29.699 0.751 1.00 0.00 C ATOM 378 O THR A 26 -1.210 -29.146 -0.329 1.00 0.00 O ATOM 379 CB THR A 26 -2.289 -29.025 2.884 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.404 -28.590 2.117 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.166 -28.161 4.141 1.00 0.00 C ATOM 0 H THR A 26 -1.718 -26.883 1.973 1.00 0.00 H new ATOM 0 HA THR A 26 -0.141 -29.281 2.573 1.00 0.00 H new ATOM 0 HB THR A 26 -2.430 -30.066 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.670 -29.299 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.074 -28.253 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.311 -28.494 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.025 -27.119 3.854 1.00 0.00 H new ATOM 389 N SER A 27 -1.172 -30.999 0.848 1.00 0.00 N ATOM 390 CA SER A 27 -1.294 -31.837 -0.378 1.00 0.00 C ATOM 391 C SER A 27 -2.750 -31.880 -0.848 1.00 0.00 C ATOM 392 O SER A 27 -3.666 -31.961 -0.054 1.00 0.00 O ATOM 393 CB SER A 27 -0.830 -33.228 0.051 1.00 0.00 C ATOM 394 OG SER A 27 0.419 -33.125 0.720 1.00 0.00 O ATOM 0 H SER A 27 -1.117 -31.518 1.724 1.00 0.00 H new ATOM 0 HA SER A 27 -0.705 -31.445 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.570 -33.683 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.736 -33.876 -0.820 1.00 0.00 H new ATOM 0 HG SER A 27 1.123 -33.512 0.159 1.00 0.00 H new ATOM 400 N SER A 28 -2.969 -31.830 -2.133 1.00 0.00 N ATOM 401 CA SER A 28 -4.367 -31.871 -2.653 1.00 0.00 C ATOM 402 C SER A 28 -4.985 -33.247 -2.395 1.00 0.00 C ATOM 403 O SER A 28 -6.159 -33.466 -2.623 1.00 0.00 O ATOM 404 CB SER A 28 -4.242 -31.610 -4.153 1.00 0.00 C ATOM 405 OG SER A 28 -4.004 -30.227 -4.375 1.00 0.00 O ATOM 0 H SER A 28 -2.242 -31.763 -2.845 1.00 0.00 H new ATOM 0 HA SER A 28 -5.010 -31.138 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.427 -32.202 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.154 -31.920 -4.664 1.00 0.00 H new ATOM 0 HG SER A 28 -3.922 -30.059 -5.337 1.00 0.00 H new ATOM 411 N GLU A 29 -4.203 -34.173 -1.918 1.00 0.00 N ATOM 412 CA GLU A 29 -4.739 -35.537 -1.643 1.00 0.00 C ATOM 413 C GLU A 29 -5.639 -35.507 -0.406 1.00 0.00 C ATOM 414 O GLU A 29 -6.459 -36.380 -0.201 1.00 0.00 O ATOM 415 CB GLU A 29 -3.506 -36.401 -1.386 1.00 0.00 C ATOM 416 CG GLU A 29 -3.941 -37.759 -0.833 1.00 0.00 C ATOM 417 CD GLU A 29 -2.719 -38.666 -0.685 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.011 -38.516 0.297 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.511 -39.492 -1.557 1.00 0.00 O ATOM 0 H GLU A 29 -3.214 -34.045 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.341 -35.920 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.944 -36.536 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.842 -35.904 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.430 -37.630 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.669 -38.219 -1.501 1.00 0.00 H new ATOM 426 N CYS A 30 -5.495 -34.505 0.417 1.00 0.00 N ATOM 427 CA CYS A 30 -6.346 -34.417 1.640 1.00 0.00 C ATOM 428 C CYS A 30 -7.783 -34.064 1.253 1.00 0.00 C ATOM 429 O CYS A 30 -8.027 -33.440 0.239 1.00 0.00 O ATOM 430 CB CYS A 30 -5.726 -33.295 2.473 1.00 0.00 C ATOM 431 SG CYS A 30 -5.052 -33.980 4.006 1.00 0.00 S ATOM 0 H CYS A 30 -4.826 -33.744 0.297 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.384 -35.358 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.937 -32.800 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.478 -32.539 2.700 1.00 0.00 H new ATOM 436 N SER A 31 -8.737 -34.458 2.049 1.00 0.00 N ATOM 437 CA SER A 31 -10.155 -34.141 1.719 1.00 0.00 C ATOM 438 C SER A 31 -10.347 -32.628 1.628 1.00 0.00 C ATOM 439 O SER A 31 -11.311 -32.142 1.072 1.00 0.00 O ATOM 440 CB SER A 31 -10.972 -34.720 2.873 1.00 0.00 C ATOM 441 OG SER A 31 -12.287 -34.187 2.839 1.00 0.00 O ATOM 0 H SER A 31 -8.597 -34.984 2.911 1.00 0.00 H new ATOM 0 HA SER A 31 -10.460 -34.558 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.007 -35.807 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.496 -34.481 3.824 1.00 0.00 H new ATOM 0 HG SER A 31 -12.810 -34.560 3.579 1.00 0.00 H new ATOM 447 N LYS A 32 -9.427 -31.886 2.167 1.00 0.00 N ATOM 448 CA LYS A 32 -9.535 -30.400 2.117 1.00 0.00 C ATOM 449 C LYS A 32 -8.140 -29.770 2.184 1.00 0.00 C ATOM 450 O LYS A 32 -7.371 -30.064 3.077 1.00 0.00 O ATOM 451 CB LYS A 32 -10.358 -30.018 3.347 1.00 0.00 C ATOM 452 CG LYS A 32 -9.578 -30.366 4.616 1.00 0.00 C ATOM 453 CD LYS A 32 -10.464 -30.127 5.840 1.00 0.00 C ATOM 454 CE LYS A 32 -10.720 -31.456 6.552 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.205 -31.567 6.632 1.00 0.00 N ATOM 0 H LYS A 32 -8.599 -32.243 2.643 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.999 -30.049 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.585 -28.952 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.311 -30.547 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.256 -31.407 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.677 -29.756 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.981 -29.425 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.409 -29.677 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.290 -32.291 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.269 -31.466 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.462 -32.455 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.585 -30.762 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.606 -31.561 5.672 1.00 0.00 H new ATOM 469 N PRO A 33 -7.860 -28.922 1.230 1.00 0.00 N ATOM 470 CA PRO A 33 -6.540 -28.245 1.180 1.00 0.00 C ATOM 471 C PRO A 33 -6.437 -27.188 2.282 1.00 0.00 C ATOM 472 O PRO A 33 -7.281 -27.099 3.152 1.00 0.00 O ATOM 473 CB PRO A 33 -6.523 -27.597 -0.201 1.00 0.00 C ATOM 474 CG PRO A 33 -7.964 -27.415 -0.560 1.00 0.00 C ATOM 475 CD PRO A 33 -8.731 -28.518 0.122 1.00 0.00 C ATOM 0 HA PRO A 33 -5.703 -28.926 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.997 -26.642 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.012 -28.229 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.322 -26.438 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.101 -27.461 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.699 -28.168 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.925 -29.348 -0.557 1.00 0.00 H new ATOM 483 N GLY A 34 -5.408 -26.386 2.253 1.00 0.00 N ATOM 484 CA GLY A 34 -5.248 -25.338 3.296 1.00 0.00 C ATOM 485 C GLY A 34 -3.793 -24.867 3.321 1.00 0.00 C ATOM 486 O GLY A 34 -2.880 -25.633 3.091 1.00 0.00 O ATOM 0 H GLY A 34 -4.670 -26.413 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.911 -24.498 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.531 -25.733 4.272 1.00 0.00 H new ATOM 490 N VAL A 35 -3.568 -23.614 3.604 1.00 0.00 N ATOM 491 CA VAL A 35 -2.169 -23.099 3.645 1.00 0.00 C ATOM 492 C VAL A 35 -1.720 -22.941 5.098 1.00 0.00 C ATOM 493 O VAL A 35 -2.274 -22.162 5.846 1.00 0.00 O ATOM 494 CB VAL A 35 -2.232 -21.738 2.951 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.941 -20.965 3.229 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.389 -21.938 1.442 1.00 0.00 C ATOM 0 H VAL A 35 -4.291 -22.924 3.809 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.460 -23.770 3.160 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.084 -21.176 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.984 -19.994 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.828 -20.820 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.090 -21.529 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.434 -20.967 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.538 -22.501 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.308 -22.489 1.242 1.00 0.00 H new ATOM 506 N ILE A 36 -0.721 -23.673 5.511 1.00 0.00 N ATOM 507 CA ILE A 36 -0.256 -23.551 6.922 1.00 0.00 C ATOM 508 C ILE A 36 1.003 -22.693 6.985 1.00 0.00 C ATOM 509 O ILE A 36 1.942 -22.896 6.245 1.00 0.00 O ATOM 510 CB ILE A 36 0.044 -24.979 7.379 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.265 -25.699 7.699 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.927 -24.947 8.632 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.967 -26.998 8.450 1.00 0.00 C ATOM 0 H ILE A 36 -0.210 -24.345 4.938 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.002 -23.075 7.559 1.00 0.00 H new ATOM 0 HB ILE A 36 0.566 -25.508 6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.906 -25.057 8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.807 -25.916 6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.138 -25.967 8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.863 -24.437 8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.408 -24.415 9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.902 -27.510 8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.342 -27.641 7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.444 -26.770 9.378 1.00 0.00 H new ATOM 525 N PHE A 37 1.037 -21.743 7.872 1.00 0.00 N ATOM 526 CA PHE A 37 2.247 -20.883 7.979 1.00 0.00 C ATOM 527 C PHE A 37 3.186 -21.439 9.051 1.00 0.00 C ATOM 528 O PHE A 37 2.767 -21.790 10.134 1.00 0.00 O ATOM 529 CB PHE A 37 1.731 -19.501 8.386 1.00 0.00 C ATOM 530 CG PHE A 37 1.051 -18.837 7.211 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.291 -19.120 6.928 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.760 -17.935 6.406 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.923 -18.502 5.841 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.128 -17.318 5.321 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.214 -17.601 5.038 1.00 0.00 C ATOM 0 H PHE A 37 0.285 -21.524 8.525 1.00 0.00 H new ATOM 0 HA PHE A 37 2.807 -20.843 7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.031 -19.595 9.216 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.558 -18.883 8.735 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.839 -19.815 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.795 -17.716 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.958 -18.721 5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.675 -16.623 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.702 -17.124 4.201 1.00 0.00 H new ATOM 545 N LEU A 38 4.454 -21.512 8.769 1.00 0.00 N ATOM 546 CA LEU A 38 5.405 -22.033 9.786 1.00 0.00 C ATOM 547 C LEU A 38 6.080 -20.854 10.480 1.00 0.00 C ATOM 548 O LEU A 38 6.710 -20.033 9.847 1.00 0.00 O ATOM 549 CB LEU A 38 6.423 -22.858 9.001 1.00 0.00 C ATOM 550 CG LEU A 38 6.533 -24.253 9.622 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.523 -25.310 8.516 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.838 -24.354 10.415 1.00 0.00 C ATOM 0 H LEU A 38 4.873 -21.234 7.881 1.00 0.00 H new ATOM 0 HA LEU A 38 4.920 -22.636 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.118 -22.935 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.395 -22.365 9.013 1.00 0.00 H new ATOM 0 HG LEU A 38 5.687 -24.422 10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.601 -26.302 8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.593 -25.237 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.367 -25.144 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.919 -25.347 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.683 -24.185 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.843 -23.603 11.205 1.00 0.00 H new ATOM 564 N THR A 39 5.934 -20.746 11.770 1.00 0.00 N ATOM 565 CA THR A 39 6.549 -19.594 12.485 1.00 0.00 C ATOM 566 C THR A 39 7.956 -19.941 12.959 1.00 0.00 C ATOM 567 O THR A 39 8.348 -21.090 13.008 1.00 0.00 O ATOM 568 CB THR A 39 5.632 -19.310 13.681 1.00 0.00 C ATOM 569 OG1 THR A 39 5.966 -20.181 14.749 1.00 0.00 O ATOM 570 CG2 THR A 39 4.169 -19.523 13.285 1.00 0.00 C ATOM 0 H THR A 39 5.419 -21.401 12.358 1.00 0.00 H new ATOM 0 HA THR A 39 6.643 -18.724 11.835 1.00 0.00 H new ATOM 0 HB THR A 39 5.767 -18.275 13.996 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.083 -19.661 15.571 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.527 -19.319 14.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.911 -18.848 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.026 -20.554 12.962 1.00 0.00 H new ATOM 578 N LYS A 40 8.718 -18.944 13.298 1.00 0.00 N ATOM 579 CA LYS A 40 10.113 -19.190 13.764 1.00 0.00 C ATOM 580 C LYS A 40 10.111 -19.995 15.067 1.00 0.00 C ATOM 581 O LYS A 40 11.000 -20.784 15.320 1.00 0.00 O ATOM 582 CB LYS A 40 10.695 -17.797 14.004 1.00 0.00 C ATOM 583 CG LYS A 40 11.843 -17.545 13.026 1.00 0.00 C ATOM 584 CD LYS A 40 12.364 -16.119 13.213 1.00 0.00 C ATOM 585 CE LYS A 40 13.818 -16.041 12.748 1.00 0.00 C ATOM 586 NZ LYS A 40 14.616 -15.937 14.003 1.00 0.00 N ATOM 0 H LYS A 40 8.437 -17.964 13.273 1.00 0.00 H new ATOM 0 HA LYS A 40 10.692 -19.763 13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.921 -17.041 13.874 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.053 -17.713 15.030 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.645 -18.263 13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.501 -17.688 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.751 -15.419 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.290 -15.828 14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.097 -16.925 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.981 -15.177 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.627 -15.879 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.333 -15.083 14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.445 -16.776 14.593 1.00 0.00 H new ATOM 600 N LYS A 41 9.125 -19.798 15.899 1.00 0.00 N ATOM 601 CA LYS A 41 9.079 -20.550 17.187 1.00 0.00 C ATOM 602 C LYS A 41 8.772 -22.030 16.937 1.00 0.00 C ATOM 603 O LYS A 41 8.763 -22.835 17.846 1.00 0.00 O ATOM 604 CB LYS A 41 7.959 -19.891 17.991 1.00 0.00 C ATOM 605 CG LYS A 41 8.563 -19.168 19.198 1.00 0.00 C ATOM 606 CD LYS A 41 7.447 -18.744 20.153 1.00 0.00 C ATOM 607 CE LYS A 41 6.957 -17.343 19.779 1.00 0.00 C ATOM 608 NZ LYS A 41 5.935 -17.559 18.712 1.00 0.00 N ATOM 0 H LYS A 41 8.351 -19.151 15.744 1.00 0.00 H new ATOM 0 HA LYS A 41 10.032 -20.517 17.715 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.413 -19.185 17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.243 -20.643 18.323 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.266 -19.823 19.712 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.124 -18.294 18.868 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.622 -19.454 20.103 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.811 -18.751 21.180 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.525 -16.833 20.641 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.777 -16.722 19.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.352 -17.347 17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.617 -18.549 18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.122 -16.932 18.878 1.00 0.00 H new ATOM 622 N GLY A 42 8.526 -22.393 15.710 1.00 0.00 N ATOM 623 CA GLY A 42 8.226 -23.822 15.399 1.00 0.00 C ATOM 624 C GLY A 42 6.716 -24.060 15.471 1.00 0.00 C ATOM 625 O GLY A 42 6.258 -25.183 15.540 1.00 0.00 O ATOM 0 H GLY A 42 8.519 -21.764 14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.596 -24.073 14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.741 -24.474 16.105 1.00 0.00 H new ATOM 629 N ARG A 43 5.939 -23.014 15.453 1.00 0.00 N ATOM 630 CA ARG A 43 4.459 -23.178 15.519 1.00 0.00 C ATOM 631 C ARG A 43 3.881 -23.280 14.105 1.00 0.00 C ATOM 632 O ARG A 43 4.578 -23.093 13.129 1.00 0.00 O ATOM 633 CB ARG A 43 3.952 -21.917 16.217 1.00 0.00 C ATOM 634 CG ARG A 43 3.181 -22.306 17.480 1.00 0.00 C ATOM 635 CD ARG A 43 2.220 -21.176 17.861 1.00 0.00 C ATOM 636 NE ARG A 43 3.071 -19.955 17.923 1.00 0.00 N ATOM 637 CZ ARG A 43 2.663 -18.909 18.590 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.660 -18.202 18.147 1.00 0.00 N ATOM 639 NH2 ARG A 43 3.260 -18.571 19.701 1.00 0.00 N ATOM 0 H ARG A 43 6.265 -22.049 15.395 1.00 0.00 H new ATOM 0 HA ARG A 43 4.164 -24.082 16.051 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.790 -21.270 16.475 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.307 -21.351 15.545 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.625 -23.228 17.310 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.875 -22.498 18.298 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.426 -21.067 17.123 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.740 -21.372 18.820 1.00 0.00 H new ATOM 0 HE ARG A 43 3.972 -19.936 17.445 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.194 -18.466 17.279 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.342 -17.385 18.669 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.044 -19.124 20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.942 -17.754 20.223 1.00 0.00 H new ATOM 653 N GLN A 44 2.614 -23.569 13.983 1.00 0.00 N ATOM 654 CA GLN A 44 2.004 -23.673 12.625 1.00 0.00 C ATOM 655 C GLN A 44 0.582 -23.107 12.636 1.00 0.00 C ATOM 656 O GLN A 44 -0.209 -23.395 13.513 1.00 0.00 O ATOM 657 CB GLN A 44 1.974 -25.170 12.300 1.00 0.00 C ATOM 658 CG GLN A 44 3.334 -25.800 12.615 1.00 0.00 C ATOM 659 CD GLN A 44 3.653 -26.868 11.569 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.801 -28.030 11.894 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.769 -26.521 10.316 1.00 0.00 N ATOM 0 H GLN A 44 1.976 -23.737 14.761 1.00 0.00 H new ATOM 0 HA GLN A 44 2.571 -23.109 11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.193 -25.661 12.880 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.730 -25.318 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.110 -25.035 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.320 -26.243 13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.645 -25.546 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.984 -27.225 9.610 1.00 0.00 H new ATOM 670 N VAL A 45 0.253 -22.308 11.659 1.00 0.00 N ATOM 671 CA VAL A 45 -1.114 -21.722 11.592 1.00 0.00 C ATOM 672 C VAL A 45 -1.884 -22.365 10.438 1.00 0.00 C ATOM 673 O VAL A 45 -1.306 -23.017 9.590 1.00 0.00 O ATOM 674 CB VAL A 45 -0.895 -20.231 11.333 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.239 -19.564 11.036 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.267 -19.584 12.570 1.00 0.00 C ATOM 0 H VAL A 45 0.877 -22.035 10.900 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.691 -21.889 12.502 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.229 -20.104 10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.085 -18.501 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.687 -20.024 10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.905 -19.691 11.890 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.111 -18.521 12.385 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.933 -19.710 13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.690 -20.060 12.783 1.00 0.00 H new ATOM 686 N CYS A 46 -3.177 -22.189 10.390 1.00 0.00 N ATOM 687 CA CYS A 46 -3.968 -22.805 9.282 1.00 0.00 C ATOM 688 C CYS A 46 -4.912 -21.767 8.676 1.00 0.00 C ATOM 689 O CYS A 46 -5.776 -21.247 9.341 1.00 0.00 O ATOM 690 CB CYS A 46 -4.771 -23.927 9.945 1.00 0.00 C ATOM 691 SG CYS A 46 -4.080 -25.535 9.475 1.00 0.00 S ATOM 0 H CYS A 46 -3.719 -21.649 11.065 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.334 -23.176 8.477 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.747 -23.813 11.029 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.816 -23.867 9.642 1.00 0.00 H new ATOM 696 N ALA A 47 -4.754 -21.454 7.422 1.00 0.00 N ATOM 697 CA ALA A 47 -5.650 -20.439 6.798 1.00 0.00 C ATOM 698 C ALA A 47 -6.388 -21.029 5.595 1.00 0.00 C ATOM 699 O ALA A 47 -5.984 -22.026 5.030 1.00 0.00 O ATOM 700 CB ALA A 47 -4.718 -19.314 6.350 1.00 0.00 C ATOM 0 H ALA A 47 -4.048 -21.853 6.804 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.415 -20.092 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.302 -18.524 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.193 -18.910 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.993 -19.705 5.636 1.00 0.00 H new ATOM 706 N LYS A 48 -7.468 -20.412 5.203 1.00 0.00 N ATOM 707 CA LYS A 48 -8.239 -20.920 4.033 1.00 0.00 C ATOM 708 C LYS A 48 -7.450 -20.682 2.743 1.00 0.00 C ATOM 709 O LYS A 48 -6.369 -20.126 2.772 1.00 0.00 O ATOM 710 CB LYS A 48 -9.532 -20.102 4.032 1.00 0.00 C ATOM 711 CG LYS A 48 -10.702 -20.997 4.449 1.00 0.00 C ATOM 712 CD LYS A 48 -11.570 -20.260 5.472 1.00 0.00 C ATOM 713 CE LYS A 48 -12.824 -21.086 5.764 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.681 -20.198 6.599 1.00 0.00 N ATOM 0 H LYS A 48 -7.851 -19.576 5.643 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.434 -21.991 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.442 -19.259 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.712 -19.688 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.298 -21.265 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.328 -21.927 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.008 -20.095 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.849 -19.278 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.332 -21.373 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.577 -22.007 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.562 -20.694 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.174 -19.947 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.906 -19.333 6.068 1.00 0.00 H new ATOM 728 N PRO A 49 -8.020 -21.110 1.650 1.00 0.00 N ATOM 729 CA PRO A 49 -7.359 -20.937 0.331 1.00 0.00 C ATOM 730 C PRO A 49 -7.355 -19.461 -0.077 1.00 0.00 C ATOM 731 O PRO A 49 -6.427 -18.983 -0.699 1.00 0.00 O ATOM 732 CB PRO A 49 -8.225 -21.767 -0.614 1.00 0.00 C ATOM 733 CG PRO A 49 -9.566 -21.827 0.047 1.00 0.00 C ATOM 734 CD PRO A 49 -9.318 -21.785 1.533 1.00 0.00 C ATOM 0 HA PRO A 49 -6.315 -21.251 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.290 -21.305 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.810 -22.765 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.189 -20.989 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.095 -22.739 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.103 -21.237 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.289 -22.786 1.963 1.00 0.00 H new ATOM 742 N SER A 50 -8.381 -18.733 0.272 1.00 0.00 N ATOM 743 CA SER A 50 -8.429 -17.289 -0.096 1.00 0.00 C ATOM 744 C SER A 50 -8.691 -16.431 1.146 1.00 0.00 C ATOM 745 O SER A 50 -9.406 -15.451 1.094 1.00 0.00 O ATOM 746 CB SER A 50 -9.589 -17.168 -1.084 1.00 0.00 C ATOM 747 OG SER A 50 -9.094 -17.275 -2.411 1.00 0.00 O ATOM 0 H SER A 50 -9.187 -19.075 0.795 1.00 0.00 H new ATOM 0 HA SER A 50 -7.489 -16.944 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.325 -17.950 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.097 -16.213 -0.950 1.00 0.00 H new ATOM 0 HG SER A 50 -9.838 -17.199 -3.045 1.00 0.00 H new ATOM 753 N GLY A 51 -8.117 -16.791 2.261 1.00 0.00 N ATOM 754 CA GLY A 51 -8.334 -15.993 3.501 1.00 0.00 C ATOM 755 C GLY A 51 -7.836 -14.564 3.280 1.00 0.00 C ATOM 756 O GLY A 51 -6.826 -14.350 2.640 1.00 0.00 O ATOM 0 H GLY A 51 -7.508 -17.602 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.393 -15.985 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.804 -16.449 4.337 1.00 0.00 H new ATOM 760 N PRO A 52 -8.568 -13.628 3.822 1.00 0.00 N ATOM 761 CA PRO A 52 -8.201 -12.198 3.682 1.00 0.00 C ATOM 762 C PRO A 52 -6.953 -11.885 4.510 1.00 0.00 C ATOM 763 O PRO A 52 -7.030 -11.629 5.696 1.00 0.00 O ATOM 764 CB PRO A 52 -9.421 -11.459 4.226 1.00 0.00 C ATOM 765 CG PRO A 52 -10.077 -12.433 5.153 1.00 0.00 C ATOM 766 CD PRO A 52 -9.792 -13.811 4.611 1.00 0.00 C ATOM 0 HA PRO A 52 -7.962 -11.913 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.131 -10.548 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.095 -11.163 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.686 -12.327 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.151 -12.253 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.647 -14.535 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.614 -14.177 3.996 1.00 0.00 H new ATOM 774 N GLY A 53 -5.803 -11.909 3.894 1.00 0.00 N ATOM 775 CA GLY A 53 -4.550 -11.617 4.643 1.00 0.00 C ATOM 776 C GLY A 53 -3.580 -12.790 4.485 1.00 0.00 C ATOM 777 O GLY A 53 -2.380 -12.634 4.596 1.00 0.00 O ATOM 0 H GLY A 53 -5.678 -12.118 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.094 -10.701 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.773 -11.454 5.697 1.00 0.00 H new ATOM 781 N VAL A 54 -4.088 -13.963 4.219 1.00 0.00 N ATOM 782 CA VAL A 54 -3.189 -15.141 4.049 1.00 0.00 C ATOM 783 C VAL A 54 -2.233 -14.899 2.886 1.00 0.00 C ATOM 784 O VAL A 54 -1.060 -15.211 2.958 1.00 0.00 O ATOM 785 CB VAL A 54 -4.119 -16.313 3.739 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.281 -17.553 3.414 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.011 -16.600 4.949 1.00 0.00 C ATOM 0 H VAL A 54 -5.084 -14.157 4.112 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.582 -15.330 4.934 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.746 -16.061 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.942 -18.391 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.650 -17.349 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.653 -17.802 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.672 -17.436 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.389 -16.851 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.608 -15.717 5.179 1.00 0.00 H new ATOM 797 N GLN A 55 -2.718 -14.336 1.819 1.00 0.00 N ATOM 798 CA GLN A 55 -1.822 -14.069 0.663 1.00 0.00 C ATOM 799 C GLN A 55 -0.823 -12.984 1.052 1.00 0.00 C ATOM 800 O GLN A 55 0.263 -12.904 0.516 1.00 0.00 O ATOM 801 CB GLN A 55 -2.741 -13.594 -0.462 1.00 0.00 C ATOM 802 CG GLN A 55 -2.258 -14.178 -1.791 1.00 0.00 C ATOM 803 CD GLN A 55 -2.566 -15.676 -1.833 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.625 -16.103 -1.417 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.677 -16.500 -2.318 1.00 0.00 N ATOM 0 H GLN A 55 -3.689 -14.050 1.696 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.251 -14.945 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.767 -13.907 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.743 -12.505 -0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.749 -13.672 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.187 -14.013 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.788 -16.143 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.872 -17.501 -2.347 1.00 0.00 H new ATOM 814 N ASP A 56 -1.175 -12.162 2.003 1.00 0.00 N ATOM 815 CA ASP A 56 -0.234 -11.102 2.450 1.00 0.00 C ATOM 816 C ASP A 56 0.950 -11.760 3.160 1.00 0.00 C ATOM 817 O ASP A 56 2.094 -11.393 2.960 1.00 0.00 O ATOM 818 CB ASP A 56 -1.034 -10.232 3.419 1.00 0.00 C ATOM 819 CG ASP A 56 -0.154 -9.087 3.925 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.340 -8.337 3.099 1.00 0.00 O ATOM 821 OD2 ASP A 56 0.013 -8.981 5.129 1.00 0.00 O ATOM 0 H ASP A 56 -2.072 -12.180 2.488 1.00 0.00 H new ATOM 0 HA ASP A 56 0.161 -10.508 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.917 -9.833 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.385 -10.833 4.258 1.00 0.00 H new ATOM 826 N CYS A 57 0.685 -12.752 3.974 1.00 0.00 N ATOM 827 CA CYS A 57 1.800 -13.442 4.675 1.00 0.00 C ATOM 828 C CYS A 57 2.705 -14.109 3.642 1.00 0.00 C ATOM 829 O CYS A 57 3.913 -14.001 3.694 1.00 0.00 O ATOM 830 CB CYS A 57 1.135 -14.506 5.554 1.00 0.00 C ATOM 831 SG CYS A 57 0.219 -13.736 6.918 1.00 0.00 S ATOM 0 H CYS A 57 -0.249 -13.108 4.179 1.00 0.00 H new ATOM 0 HA CYS A 57 2.408 -12.756 5.265 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.458 -15.111 4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.893 -15.179 5.954 1.00 0.00 H new ATOM 836 N MET A 58 2.123 -14.794 2.696 1.00 0.00 N ATOM 837 CA MET A 58 2.949 -15.465 1.654 1.00 0.00 C ATOM 838 C MET A 58 3.588 -14.422 0.737 1.00 0.00 C ATOM 839 O MET A 58 4.583 -14.680 0.090 1.00 0.00 O ATOM 840 CB MET A 58 1.979 -16.342 0.864 1.00 0.00 C ATOM 841 CG MET A 58 1.179 -17.235 1.819 1.00 0.00 C ATOM 842 SD MET A 58 -0.221 -17.964 0.931 1.00 0.00 S ATOM 843 CE MET A 58 0.710 -18.599 -0.486 1.00 0.00 C ATOM 0 H MET A 58 1.115 -14.918 2.600 1.00 0.00 H new ATOM 0 HA MET A 58 3.758 -16.051 2.091 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.300 -15.716 0.284 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.530 -16.958 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.818 -18.021 2.220 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.822 -16.651 2.667 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.161 -18.392 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.685 -18.113 -0.529 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.846 -19.675 -0.379 1.00 0.00 H new ATOM 853 N LYS A 59 3.029 -13.243 0.678 1.00 0.00 N ATOM 854 CA LYS A 59 3.621 -12.193 -0.197 1.00 0.00 C ATOM 855 C LYS A 59 5.003 -11.823 0.333 1.00 0.00 C ATOM 856 O LYS A 59 5.971 -11.777 -0.401 1.00 0.00 O ATOM 857 CB LYS A 59 2.668 -11.000 -0.101 1.00 0.00 C ATOM 858 CG LYS A 59 2.869 -10.090 -1.315 1.00 0.00 C ATOM 859 CD LYS A 59 1.506 -9.707 -1.898 1.00 0.00 C ATOM 860 CE LYS A 59 1.477 -8.204 -2.185 1.00 0.00 C ATOM 861 NZ LYS A 59 2.198 -8.049 -3.481 1.00 0.00 N ATOM 0 H LYS A 59 2.195 -12.964 1.194 1.00 0.00 H new ATOM 0 HA LYS A 59 3.740 -12.521 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.636 -11.347 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.854 -10.445 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.417 -9.194 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.469 -10.599 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.321 -10.267 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.713 -9.970 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.454 -7.834 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.966 -7.640 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.221 -7.044 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.171 -8.403 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.706 -8.591 -4.219 1.00 0.00 H new ATOM 875 N LYS A 60 5.103 -11.573 1.608 1.00 0.00 N ATOM 876 CA LYS A 60 6.427 -11.224 2.192 1.00 0.00 C ATOM 877 C LYS A 60 7.344 -12.451 2.175 1.00 0.00 C ATOM 878 O LYS A 60 8.547 -12.334 2.051 1.00 0.00 O ATOM 879 CB LYS A 60 6.131 -10.794 3.629 1.00 0.00 C ATOM 880 CG LYS A 60 6.818 -9.456 3.911 1.00 0.00 C ATOM 881 CD LYS A 60 8.322 -9.679 4.080 1.00 0.00 C ATOM 882 CE LYS A 60 9.056 -8.344 3.930 1.00 0.00 C ATOM 883 NZ LYS A 60 10.291 -8.493 4.751 1.00 0.00 N ATOM 0 H LYS A 60 4.327 -11.595 2.270 1.00 0.00 H new ATOM 0 HA LYS A 60 6.932 -10.437 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.055 -10.702 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.486 -11.552 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.633 -8.761 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.403 -9.005 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.529 -10.112 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.681 -10.389 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.297 -8.140 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.444 -7.514 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.850 -7.617 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.030 -8.680 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.856 -9.286 4.387 1.00 0.00 H new ATOM 897 N LEU A 61 6.788 -13.629 2.303 1.00 0.00 N ATOM 898 CA LEU A 61 7.636 -14.855 2.297 1.00 0.00 C ATOM 899 C LEU A 61 8.063 -15.205 0.868 1.00 0.00 C ATOM 900 O LEU A 61 8.717 -16.201 0.631 1.00 0.00 O ATOM 901 CB LEU A 61 6.751 -15.952 2.890 1.00 0.00 C ATOM 902 CG LEU A 61 6.422 -15.598 4.344 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.776 -16.800 5.036 1.00 0.00 C ATOM 904 CD2 LEU A 61 7.709 -15.217 5.078 1.00 0.00 C ATOM 0 H LEU A 61 5.787 -13.793 2.411 1.00 0.00 H new ATOM 0 HA LEU A 61 8.555 -14.724 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.833 -16.050 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.262 -16.914 2.843 1.00 0.00 H new ATOM 0 HG LEU A 61 5.728 -14.758 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.544 -16.543 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.858 -17.070 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.465 -17.644 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.477 -14.965 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.403 -16.057 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.166 -14.357 4.589 1.00 0.00 H new ATOM 916 N LYS A 62 7.698 -14.392 -0.086 1.00 0.00 N ATOM 917 CA LYS A 62 8.085 -14.678 -1.497 1.00 0.00 C ATOM 918 C LYS A 62 9.229 -13.759 -1.931 1.00 0.00 C ATOM 919 O LYS A 62 9.061 -12.559 -2.019 1.00 0.00 O ATOM 920 CB LYS A 62 6.828 -14.388 -2.318 1.00 0.00 C ATOM 921 CG LYS A 62 6.657 -15.467 -3.388 1.00 0.00 C ATOM 922 CD LYS A 62 5.170 -15.791 -3.551 1.00 0.00 C ATOM 923 CE LYS A 62 4.455 -14.593 -4.178 1.00 0.00 C ATOM 924 NZ LYS A 62 5.027 -14.481 -5.550 1.00 0.00 N ATOM 0 H LYS A 62 7.149 -13.543 0.050 1.00 0.00 H new ATOM 0 HA LYS A 62 8.433 -15.702 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.954 -14.364 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.905 -13.406 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.072 -15.124 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.207 -16.365 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.045 -16.673 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.729 -16.025 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.377 -14.749 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.628 -13.684 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.259 -14.328 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.688 -13.679 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.534 -15.358 -5.788 1.00 0.00 H new ATOM 938 N PRO A 63 10.361 -14.356 -2.190 1.00 0.00 N ATOM 939 CA PRO A 63 11.550 -13.580 -2.622 1.00 0.00 C ATOM 940 C PRO A 63 11.358 -13.056 -4.047 1.00 0.00 C ATOM 941 O PRO A 63 11.048 -13.800 -4.957 1.00 0.00 O ATOM 942 CB PRO A 63 12.684 -14.600 -2.565 1.00 0.00 C ATOM 943 CG PRO A 63 12.014 -15.929 -2.716 1.00 0.00 C ATOM 944 CD PRO A 63 10.641 -15.795 -2.109 1.00 0.00 C ATOM 0 HA PRO A 63 11.739 -12.705 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.409 -14.430 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.226 -14.536 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.946 -16.211 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.585 -16.709 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.902 -16.378 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.623 -16.149 -1.078 1.00 0.00 H new ATOM 952 N TYR A 64 11.540 -11.780 -4.248 1.00 0.00 N ATOM 953 CA TYR A 64 11.368 -11.208 -5.614 1.00 0.00 C ATOM 954 C TYR A 64 12.709 -10.695 -6.144 1.00 0.00 C ATOM 955 O TYR A 64 12.761 -9.813 -6.979 1.00 0.00 O ATOM 956 CB TYR A 64 10.383 -10.053 -5.437 1.00 0.00 C ATOM 957 CG TYR A 64 9.091 -10.378 -6.148 1.00 0.00 C ATOM 958 CD1 TYR A 64 8.562 -11.671 -6.079 1.00 0.00 C ATOM 959 CD2 TYR A 64 8.424 -9.386 -6.875 1.00 0.00 C ATOM 960 CE1 TYR A 64 7.364 -11.974 -6.738 1.00 0.00 C ATOM 961 CE2 TYR A 64 7.226 -9.687 -7.533 1.00 0.00 C ATOM 962 CZ TYR A 64 6.696 -10.981 -7.464 1.00 0.00 C ATOM 963 OH TYR A 64 5.515 -11.277 -8.113 1.00 0.00 O ATOM 0 H TYR A 64 11.800 -11.108 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 64 11.006 -11.946 -6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 64 10.194 -9.882 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.809 -9.133 -5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.078 -12.436 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.834 -8.388 -6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.956 -12.973 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.711 -8.921 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 64 5.182 -10.476 -8.568 1.00 0.00 H new ATOM 973 N SER A 65 13.796 -11.239 -5.666 1.00 0.00 N ATOM 974 CA SER A 65 15.131 -10.778 -6.145 1.00 0.00 C ATOM 975 C SER A 65 16.232 -11.712 -5.637 1.00 0.00 C ATOM 976 O SER A 65 16.058 -12.423 -4.667 1.00 0.00 O ATOM 977 CB SER A 65 15.300 -9.378 -5.555 1.00 0.00 C ATOM 978 OG SER A 65 15.387 -9.467 -4.141 1.00 0.00 O ATOM 0 H SER A 65 13.817 -11.981 -4.966 1.00 0.00 H new ATOM 0 HA SER A 65 15.199 -10.774 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.198 -8.909 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.457 -8.748 -5.839 1.00 0.00 H new ATOM 0 HG SER A 65 15.497 -8.570 -3.763 1.00 0.00 H new ATOM 984 N ILE A 66 17.364 -11.718 -6.286 1.00 0.00 N ATOM 985 CA ILE A 66 18.476 -12.607 -5.840 1.00 0.00 C ATOM 986 C ILE A 66 19.153 -12.024 -4.597 1.00 0.00 C ATOM 987 O ILE A 66 19.157 -10.811 -4.463 1.00 0.00 O ATOM 988 CB ILE A 66 19.452 -12.641 -7.018 1.00 0.00 C ATOM 989 CG1 ILE A 66 18.731 -13.163 -8.263 1.00 0.00 C ATOM 990 CG2 ILE A 66 20.624 -13.565 -6.683 1.00 0.00 C ATOM 991 CD1 ILE A 66 18.590 -12.031 -9.282 1.00 0.00 C ATOM 992 OXT ILE A 66 19.657 -12.799 -3.802 1.00 0.00 O ATOM 0 H ILE A 66 17.568 -11.146 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 66 18.126 -13.604 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 66 19.826 -11.635 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 66 19.289 -13.992 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 66 17.748 -13.548 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.319 -13.589 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 66 21.138 -13.194 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.251 -14.571 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 66 18.077 -12.402 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 66 18.014 -11.216 -8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 66 19.579 -11.667 -9.561 1.00 0.00 H new TER 1004 ILE A 66