USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=19 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= -0.453 X(o=-0.45,f=-0.15) 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 USER MOD Single : A 10 TYR OH : rot 27:sc= 0.328 USER MOD Single : A 12 SER OG : rot 180:sc= 0.117 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0709 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -143:sc= -13.5! (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 30:sc= -0.0848 USER MOD Single : A 26 THR OG1 : rot 81:sc= 0 USER MOD Single : A 27 SER OG : rot -150:sc= -1.05 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 120:sc= -2.12 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.0836 (180deg=-0.73) USER MOD Single : A 44 GLN : amide:sc=-0.00372 X(o=-0.0037,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= -0.0029 X(o=-0.0029,f=-0.16) USER MOD Single : A 58 MET CE :methyl 165:sc= -2.13! (180deg=-3.09!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -57:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.242 -37.124 7.322 1.00 0.00 N ATOM 2 CA HIS A 1 10.453 -38.309 7.765 1.00 0.00 C ATOM 3 C HIS A 1 9.013 -37.897 8.081 1.00 0.00 C ATOM 4 O HIS A 1 8.496 -38.172 9.146 1.00 0.00 O ATOM 5 CB HIS A 1 11.159 -38.803 9.028 1.00 0.00 C ATOM 6 CG HIS A 1 11.480 -40.266 8.884 1.00 0.00 C ATOM 7 ND1 HIS A 1 11.499 -41.129 9.968 1.00 0.00 N ATOM 8 CD2 HIS A 1 11.795 -41.033 7.789 1.00 0.00 C ATOM 9 CE1 HIS A 1 11.816 -42.353 9.507 1.00 0.00 C ATOM 10 NE2 HIS A 1 12.007 -42.350 8.185 1.00 0.00 N ATOM 0 H1 HIS A 1 12.218 -37.416 7.110 1.00 0.00 H new ATOM 0 H2 HIS A 1 10.809 -36.718 6.468 1.00 0.00 H new ATOM 0 H3 HIS A 1 11.251 -36.410 8.078 1.00 0.00 H new ATOM 0 HA HIS A 1 10.401 -39.082 6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 1 12.074 -38.234 9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 1 10.523 -38.643 9.899 1.00 0.00 H new ATOM 0 HD2 HIS A 1 11.867 -40.669 6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 1 11.905 -43.231 10.130 1.00 0.00 H new ATOM 0 HE2 HIS A 1 12.255 -43.143 7.593 1.00 0.00 H new ATOM 20 N PHE A 2 8.362 -37.237 7.163 1.00 0.00 N ATOM 21 CA PHE A 2 6.956 -36.805 7.408 1.00 0.00 C ATOM 22 C PHE A 2 6.090 -37.095 6.181 1.00 0.00 C ATOM 23 O PHE A 2 6.495 -37.792 5.272 1.00 0.00 O ATOM 24 CB PHE A 2 7.043 -35.299 7.653 1.00 0.00 C ATOM 25 CG PHE A 2 7.437 -34.607 6.371 1.00 0.00 C ATOM 26 CD1 PHE A 2 8.768 -34.637 5.940 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.470 -33.938 5.611 1.00 0.00 C ATOM 28 CE1 PHE A 2 9.133 -33.998 4.750 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.835 -33.298 4.421 1.00 0.00 C ATOM 30 CZ PHE A 2 8.167 -33.328 3.990 1.00 0.00 C ATOM 0 H PHE A 2 8.743 -36.978 6.253 1.00 0.00 H new ATOM 0 HA PHE A 2 6.504 -37.332 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 2 6.083 -34.920 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.774 -35.088 8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.514 -35.154 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.443 -33.916 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.160 -34.022 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.089 -32.781 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.449 -32.834 3.072 1.00 0.00 H new ATOM 40 N ALA A 3 4.899 -36.563 6.148 1.00 0.00 N ATOM 41 CA ALA A 3 4.005 -36.805 4.980 1.00 0.00 C ATOM 42 C ALA A 3 3.230 -35.530 4.633 1.00 0.00 C ATOM 43 O ALA A 3 3.455 -34.481 5.203 1.00 0.00 O ATOM 44 CB ALA A 3 3.050 -37.909 5.434 1.00 0.00 C ATOM 0 H ALA A 3 4.506 -35.971 6.880 1.00 0.00 H new ATOM 0 HA ALA A 3 4.560 -37.090 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.357 -38.145 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.621 -38.800 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.490 -37.570 6.305 1.00 0.00 H new ATOM 50 N ALA A 4 2.321 -35.611 3.700 1.00 0.00 N ATOM 51 CA ALA A 4 1.535 -34.403 3.316 1.00 0.00 C ATOM 52 C ALA A 4 0.755 -33.868 4.521 1.00 0.00 C ATOM 53 O ALA A 4 0.076 -34.605 5.208 1.00 0.00 O ATOM 54 CB ALA A 4 0.576 -34.886 2.228 1.00 0.00 C ATOM 0 H ALA A 4 2.088 -36.461 3.187 1.00 0.00 H new ATOM 0 HA ALA A 4 2.173 -33.590 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.041 -34.053 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.148 -35.278 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.064 -35.672 2.630 1.00 0.00 H new ATOM 60 N ASP A 5 0.845 -32.592 4.781 1.00 0.00 N ATOM 61 CA ASP A 5 0.105 -32.013 5.940 1.00 0.00 C ATOM 62 C ASP A 5 -1.244 -31.453 5.480 1.00 0.00 C ATOM 63 O ASP A 5 -1.440 -31.155 4.318 1.00 0.00 O ATOM 64 CB ASP A 5 0.998 -30.888 6.466 1.00 0.00 C ATOM 65 CG ASP A 5 2.254 -31.487 7.103 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.149 -31.992 8.209 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.298 -31.429 6.476 1.00 0.00 O ATOM 0 H ASP A 5 1.398 -31.926 4.242 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.103 -32.759 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.275 -30.218 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.455 -30.291 7.199 1.00 0.00 H new ATOM 72 N CYS A 6 -2.172 -31.304 6.384 1.00 0.00 N ATOM 73 CA CYS A 6 -3.506 -30.759 6.004 1.00 0.00 C ATOM 74 C CYS A 6 -4.081 -29.942 7.162 1.00 0.00 C ATOM 75 O CYS A 6 -3.791 -30.196 8.314 1.00 0.00 O ATOM 76 CB CYS A 6 -4.377 -31.985 5.729 1.00 0.00 C ATOM 77 SG CYS A 6 -3.763 -32.849 4.262 1.00 0.00 S ATOM 0 H CYS A 6 -2.064 -31.536 7.371 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.453 -30.100 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.363 -32.654 6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.413 -31.681 5.578 1.00 0.00 H new ATOM 82 N CYS A 7 -4.890 -28.962 6.871 1.00 0.00 N ATOM 83 CA CYS A 7 -5.473 -28.136 7.962 1.00 0.00 C ATOM 84 C CYS A 7 -6.810 -28.724 8.418 1.00 0.00 C ATOM 85 O CYS A 7 -7.629 -29.129 7.617 1.00 0.00 O ATOM 86 CB CYS A 7 -5.688 -26.757 7.343 1.00 0.00 C ATOM 87 SG CYS A 7 -4.325 -25.658 7.807 1.00 0.00 S ATOM 0 H CYS A 7 -5.172 -28.698 5.927 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.825 -28.098 8.837 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.747 -26.840 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.636 -26.339 7.683 1.00 0.00 H new ATOM 92 N THR A 8 -7.039 -28.758 9.699 1.00 0.00 N ATOM 93 CA THR A 8 -8.327 -29.301 10.216 1.00 0.00 C ATOM 94 C THR A 8 -9.265 -28.140 10.551 1.00 0.00 C ATOM 95 O THR A 8 -10.452 -28.315 10.743 1.00 0.00 O ATOM 96 CB THR A 8 -7.950 -30.077 11.480 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.081 -30.804 11.943 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.488 -29.100 12.562 1.00 0.00 C ATOM 0 H THR A 8 -6.389 -28.432 10.414 1.00 0.00 H new ATOM 0 HA THR A 8 -8.841 -29.937 9.495 1.00 0.00 H new ATOM 0 HB THR A 8 -7.141 -30.771 11.253 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.841 -31.303 12.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.220 -29.654 13.462 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.620 -28.545 12.205 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.294 -28.403 12.792 1.00 0.00 H new ATOM 106 N SER A 9 -8.730 -26.952 10.612 1.00 0.00 N ATOM 107 CA SER A 9 -9.563 -25.757 10.923 1.00 0.00 C ATOM 108 C SER A 9 -8.723 -24.493 10.730 1.00 0.00 C ATOM 109 O SER A 9 -7.539 -24.479 11.006 1.00 0.00 O ATOM 110 CB SER A 9 -9.969 -25.920 12.389 1.00 0.00 C ATOM 111 OG SER A 9 -8.808 -25.906 13.207 1.00 0.00 O ATOM 0 H SER A 9 -7.741 -26.757 10.458 1.00 0.00 H new ATOM 0 HA SER A 9 -10.437 -25.671 10.277 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.643 -25.115 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.511 -26.856 12.525 1.00 0.00 H new ATOM 0 HG SER A 9 -9.068 -26.009 14.146 1.00 0.00 H new ATOM 117 N TYR A 10 -9.314 -23.435 10.251 1.00 0.00 N ATOM 118 CA TYR A 10 -8.530 -22.185 10.038 1.00 0.00 C ATOM 119 C TYR A 10 -8.567 -21.317 11.297 1.00 0.00 C ATOM 120 O TYR A 10 -9.422 -21.472 12.146 1.00 0.00 O ATOM 121 CB TYR A 10 -9.212 -21.486 8.861 1.00 0.00 C ATOM 122 CG TYR A 10 -9.218 -22.418 7.673 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.007 -22.821 7.097 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.430 -22.883 7.150 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.008 -23.687 5.997 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.432 -23.750 6.051 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.221 -24.153 5.474 1.00 0.00 C ATOM 128 OH TYR A 10 -9.222 -25.008 4.391 1.00 0.00 O ATOM 0 H TYR A 10 -10.301 -23.380 9.999 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.478 -22.381 9.831 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.232 -21.209 9.127 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.685 -20.564 8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.072 -22.464 7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.364 -22.573 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.074 -23.996 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.368 -24.108 5.648 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.385 -25.517 4.375 1.00 0.00 H new ATOM 138 N ILE A 11 -7.638 -20.410 11.427 1.00 0.00 N ATOM 139 CA ILE A 11 -7.611 -19.540 12.638 1.00 0.00 C ATOM 140 C ILE A 11 -8.959 -18.829 12.795 1.00 0.00 C ATOM 141 O ILE A 11 -9.776 -18.826 11.896 1.00 0.00 O ATOM 142 CB ILE A 11 -6.477 -18.526 12.404 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.956 -17.419 11.461 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.258 -19.223 11.790 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.204 -18.004 10.070 1.00 0.00 C ATOM 0 H ILE A 11 -6.897 -20.233 10.748 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.440 -20.111 13.550 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.195 -18.093 13.363 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.871 -16.970 11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.210 -16.626 11.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.464 -18.494 11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.905 -20.001 12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.537 -19.671 10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.545 -17.215 9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.279 -18.433 9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.965 -18.781 10.133 1.00 0.00 H new ATOM 157 N SER A 12 -9.201 -18.229 13.928 1.00 0.00 N ATOM 158 CA SER A 12 -10.500 -17.525 14.132 1.00 0.00 C ATOM 159 C SER A 12 -10.325 -16.019 13.923 1.00 0.00 C ATOM 160 O SER A 12 -11.259 -15.252 14.046 1.00 0.00 O ATOM 161 CB SER A 12 -10.897 -17.823 15.579 1.00 0.00 C ATOM 162 OG SER A 12 -9.784 -18.348 16.286 1.00 0.00 O ATOM 0 H SER A 12 -8.558 -18.195 14.719 1.00 0.00 H new ATOM 0 HA SER A 12 -11.261 -17.858 13.426 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.250 -16.913 16.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.721 -18.536 15.600 1.00 0.00 H new ATOM 0 HG SER A 12 -10.044 -18.535 17.212 1.00 0.00 H new ATOM 168 N GLN A 13 -9.135 -15.593 13.607 1.00 0.00 N ATOM 169 CA GLN A 13 -8.897 -14.138 13.388 1.00 0.00 C ATOM 170 C GLN A 13 -7.859 -13.940 12.283 1.00 0.00 C ATOM 171 O GLN A 13 -7.418 -14.883 11.656 1.00 0.00 O ATOM 172 CB GLN A 13 -8.367 -13.618 14.724 1.00 0.00 C ATOM 173 CG GLN A 13 -6.952 -14.153 14.956 1.00 0.00 C ATOM 174 CD GLN A 13 -6.452 -13.694 16.328 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.228 -13.261 17.157 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.179 -13.771 16.604 1.00 0.00 N ATOM 0 H GLN A 13 -8.316 -16.189 13.491 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.799 -13.611 13.077 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.360 -12.528 14.725 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.024 -13.933 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.950 -15.242 14.902 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.283 -13.793 14.174 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.527 -14.134 15.908 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.835 -13.468 17.515 1.00 0.00 H new ATOM 185 N SER A 14 -7.463 -12.723 12.039 1.00 0.00 N ATOM 186 CA SER A 14 -6.451 -12.473 10.975 1.00 0.00 C ATOM 187 C SER A 14 -5.225 -13.364 11.193 1.00 0.00 C ATOM 188 O SER A 14 -4.882 -13.701 12.309 1.00 0.00 O ATOM 189 CB SER A 14 -6.075 -10.999 11.126 1.00 0.00 C ATOM 190 OG SER A 14 -6.191 -10.617 12.489 1.00 0.00 O ATOM 0 H SER A 14 -7.795 -11.892 12.529 1.00 0.00 H new ATOM 0 HA SER A 14 -6.834 -12.697 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.055 -10.835 10.777 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.726 -10.381 10.508 1.00 0.00 H new ATOM 0 HG SER A 14 -5.948 -9.672 12.586 1.00 0.00 H new ATOM 196 N ILE A 15 -4.561 -13.742 10.137 1.00 0.00 N ATOM 197 CA ILE A 15 -3.354 -14.605 10.281 1.00 0.00 C ATOM 198 C ILE A 15 -2.215 -13.786 10.895 1.00 0.00 C ATOM 199 O ILE A 15 -2.069 -12.617 10.600 1.00 0.00 O ATOM 200 CB ILE A 15 -3.015 -15.032 8.844 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.929 -16.190 8.434 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.547 -15.475 8.742 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.531 -17.456 9.197 1.00 0.00 C ATOM 0 H ILE A 15 -4.802 -13.491 9.178 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.513 -15.466 10.930 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.168 -14.182 8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.968 -15.938 8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.855 -16.362 7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.327 -15.773 7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.897 -14.648 9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.374 -16.319 9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.183 -18.278 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.497 -17.712 8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.628 -17.281 10.268 1.00 0.00 H new ATOM 215 N PRO A 16 -1.450 -14.431 11.736 1.00 0.00 N ATOM 216 CA PRO A 16 -0.306 -13.761 12.401 1.00 0.00 C ATOM 217 C PRO A 16 0.896 -13.716 11.453 1.00 0.00 C ATOM 218 O PRO A 16 1.941 -14.262 11.737 1.00 0.00 O ATOM 219 CB PRO A 16 -0.007 -14.667 13.588 1.00 0.00 C ATOM 220 CG PRO A 16 -0.504 -16.022 13.184 1.00 0.00 C ATOM 221 CD PRO A 16 -1.587 -15.830 12.149 1.00 0.00 C ATOM 0 HA PRO A 16 -0.518 -12.732 12.692 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.060 -14.689 13.808 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.511 -14.315 14.488 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.310 -16.621 12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.894 -16.559 14.049 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.456 -16.508 11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.575 -16.027 12.566 1.00 0.00 H new ATOM 229 N CYS A 17 0.751 -13.076 10.328 1.00 0.00 N ATOM 230 CA CYS A 17 1.875 -13.001 9.351 1.00 0.00 C ATOM 231 C CYS A 17 3.060 -12.239 9.951 1.00 0.00 C ATOM 232 O CYS A 17 4.191 -12.399 9.534 1.00 0.00 O ATOM 233 CB CYS A 17 1.300 -12.248 8.147 1.00 0.00 C ATOM 234 SG CYS A 17 -0.303 -12.964 7.694 1.00 0.00 S ATOM 0 H CYS A 17 -0.103 -12.598 10.040 1.00 0.00 H new ATOM 0 HA CYS A 17 2.248 -13.988 9.077 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.183 -11.191 8.388 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.988 -12.309 7.304 1.00 0.00 H new ATOM 239 N SER A 18 2.808 -11.411 10.928 1.00 0.00 N ATOM 240 CA SER A 18 3.914 -10.626 11.554 1.00 0.00 C ATOM 241 C SER A 18 4.865 -11.528 12.352 1.00 0.00 C ATOM 242 O SER A 18 5.791 -11.053 12.979 1.00 0.00 O ATOM 243 CB SER A 18 3.213 -9.636 12.485 1.00 0.00 C ATOM 244 OG SER A 18 3.366 -8.320 11.975 1.00 0.00 O ATOM 0 H SER A 18 1.882 -11.243 11.322 1.00 0.00 H new ATOM 0 HA SER A 18 4.528 -10.132 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.155 -9.885 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.636 -9.701 13.488 1.00 0.00 H new ATOM 0 HG SER A 18 2.916 -7.684 12.570 1.00 0.00 H new ATOM 250 N LEU A 19 4.658 -12.817 12.342 1.00 0.00 N ATOM 251 CA LEU A 19 5.570 -13.711 13.109 1.00 0.00 C ATOM 252 C LEU A 19 5.849 -14.996 12.324 1.00 0.00 C ATOM 253 O LEU A 19 6.434 -15.929 12.838 1.00 0.00 O ATOM 254 CB LEU A 19 4.816 -14.026 14.401 1.00 0.00 C ATOM 255 CG LEU A 19 5.477 -13.291 15.569 1.00 0.00 C ATOM 256 CD1 LEU A 19 4.670 -12.035 15.901 1.00 0.00 C ATOM 257 CD2 LEU A 19 5.517 -14.210 16.791 1.00 0.00 C ATOM 0 H LEU A 19 3.904 -13.286 11.841 1.00 0.00 H new ATOM 0 HA LEU A 19 6.537 -13.245 13.300 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.773 -13.722 14.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.820 -15.100 14.584 1.00 0.00 H new ATOM 0 HG LEU A 19 6.493 -13.008 15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.140 -11.510 16.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.640 -11.381 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.654 -12.318 16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.988 -13.688 17.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.501 -14.492 17.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.091 -15.106 16.554 1.00 0.00 H new ATOM 269 N MET A 20 5.437 -15.058 11.086 1.00 0.00 N ATOM 270 CA MET A 20 5.691 -16.296 10.291 1.00 0.00 C ATOM 271 C MET A 20 6.964 -16.140 9.455 1.00 0.00 C ATOM 272 O MET A 20 7.179 -15.131 8.814 1.00 0.00 O ATOM 273 CB MET A 20 4.477 -16.464 9.371 1.00 0.00 C ATOM 274 CG MET A 20 3.179 -16.228 10.150 1.00 0.00 C ATOM 275 SD MET A 20 2.556 -17.801 10.792 1.00 0.00 S ATOM 276 CE MET A 20 0.794 -17.443 10.581 1.00 0.00 C ATOM 0 H MET A 20 4.941 -14.314 10.595 1.00 0.00 H new ATOM 0 HA MET A 20 5.829 -17.162 10.938 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.543 -15.762 8.540 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.474 -17.466 8.942 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.358 -15.535 10.972 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.433 -15.768 9.502 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.234 -17.869 11.413 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.642 -16.364 10.557 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.443 -17.880 9.646 1.00 0.00 H new ATOM 286 N LYS A 21 7.802 -17.138 9.451 1.00 0.00 N ATOM 287 CA LYS A 21 9.054 -17.058 8.649 1.00 0.00 C ATOM 288 C LYS A 21 8.824 -17.657 7.257 1.00 0.00 C ATOM 289 O LYS A 21 9.491 -17.308 6.304 1.00 0.00 O ATOM 290 CB LYS A 21 10.079 -17.884 9.428 1.00 0.00 C ATOM 291 CG LYS A 21 9.761 -19.373 9.271 1.00 0.00 C ATOM 292 CD LYS A 21 10.548 -20.175 10.308 1.00 0.00 C ATOM 293 CE LYS A 21 11.504 -21.131 9.593 1.00 0.00 C ATOM 294 NZ LYS A 21 10.769 -22.426 9.527 1.00 0.00 N ATOM 0 H LYS A 21 7.674 -18.007 9.969 1.00 0.00 H new ATOM 0 HA LYS A 21 9.389 -16.031 8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.084 -17.675 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.060 -17.606 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.692 -19.543 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.018 -19.707 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.108 -19.501 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.864 -20.736 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.755 -20.767 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.441 -21.236 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.359 -23.136 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.549 -22.750 10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.885 -22.297 8.995 1.00 0.00 H new ATOM 308 N SER A 22 7.885 -18.559 7.134 1.00 0.00 N ATOM 309 CA SER A 22 7.618 -19.177 5.803 1.00 0.00 C ATOM 310 C SER A 22 6.167 -19.660 5.726 1.00 0.00 C ATOM 311 O SER A 22 5.416 -19.544 6.671 1.00 0.00 O ATOM 312 CB SER A 22 8.582 -20.361 5.719 1.00 0.00 C ATOM 313 OG SER A 22 9.064 -20.487 4.389 1.00 0.00 O ATOM 0 H SER A 22 7.294 -18.893 7.895 1.00 0.00 H new ATOM 0 HA SER A 22 7.762 -18.473 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.415 -20.215 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.076 -21.278 6.022 1.00 0.00 H new ATOM 0 HG SER A 22 9.683 -21.245 4.336 1.00 0.00 H new ATOM 319 N TYR A 23 5.770 -20.200 4.607 1.00 0.00 N ATOM 320 CA TYR A 23 4.370 -20.700 4.464 1.00 0.00 C ATOM 321 C TYR A 23 4.345 -21.874 3.478 1.00 0.00 C ATOM 322 O TYR A 23 5.182 -21.967 2.602 1.00 0.00 O ATOM 323 CB TYR A 23 3.575 -19.510 3.924 1.00 0.00 C ATOM 324 CG TYR A 23 3.904 -19.300 2.466 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.218 -20.021 1.480 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.898 -18.386 2.100 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.527 -19.825 0.129 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.206 -18.190 0.749 1.00 0.00 C ATOM 329 CZ TYR A 23 4.521 -18.909 -0.237 1.00 0.00 C ATOM 330 OH TYR A 23 4.824 -18.717 -1.569 1.00 0.00 O ATOM 0 H TYR A 23 6.356 -20.318 3.781 1.00 0.00 H new ATOM 0 HA TYR A 23 3.951 -21.062 5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.507 -19.689 4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.813 -18.612 4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.451 -20.727 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.428 -17.831 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.999 -20.381 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.973 -17.484 0.467 1.00 0.00 H new ATOM 0 HH TYR A 23 4.025 -18.877 -2.113 1.00 0.00 H new ATOM 340 N PHE A 24 3.403 -22.772 3.600 1.00 0.00 N ATOM 341 CA PHE A 24 3.368 -23.921 2.647 1.00 0.00 C ATOM 342 C PHE A 24 1.929 -24.373 2.385 1.00 0.00 C ATOM 343 O PHE A 24 1.094 -24.373 3.267 1.00 0.00 O ATOM 344 CB PHE A 24 4.182 -25.033 3.323 1.00 0.00 C ATOM 345 CG PHE A 24 3.319 -25.804 4.300 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.381 -26.735 3.829 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.463 -25.593 5.677 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.589 -27.450 4.735 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.670 -26.309 6.582 1.00 0.00 C ATOM 350 CZ PHE A 24 1.733 -27.237 6.111 1.00 0.00 C ATOM 0 H PHE A 24 2.667 -22.762 4.306 1.00 0.00 H new ATOM 0 HA PHE A 24 3.782 -23.653 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.580 -25.710 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.035 -24.601 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.270 -26.900 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.186 -24.878 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.867 -28.166 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.781 -26.145 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.121 -27.789 6.810 1.00 0.00 H new ATOM 360 N GLU A 25 1.643 -24.772 1.176 1.00 0.00 N ATOM 361 CA GLU A 25 0.268 -25.240 0.847 1.00 0.00 C ATOM 362 C GLU A 25 0.180 -26.753 1.053 1.00 0.00 C ATOM 363 O GLU A 25 1.128 -27.476 0.816 1.00 0.00 O ATOM 364 CB GLU A 25 0.069 -24.886 -0.626 1.00 0.00 C ATOM 365 CG GLU A 25 0.954 -25.787 -1.490 1.00 0.00 C ATOM 366 CD GLU A 25 1.598 -24.957 -2.601 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.864 -24.328 -3.345 1.00 0.00 O ATOM 368 OE2 GLU A 25 2.815 -24.964 -2.689 1.00 0.00 O ATOM 0 H GLU A 25 2.305 -24.794 0.400 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.494 -24.781 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.978 -25.012 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.320 -23.839 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.725 -26.253 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.360 -26.592 -1.921 1.00 0.00 H new ATOM 375 N THR A 26 -0.943 -27.240 1.498 1.00 0.00 N ATOM 376 CA THR A 26 -1.075 -28.708 1.723 1.00 0.00 C ATOM 377 C THR A 26 -1.221 -29.441 0.387 1.00 0.00 C ATOM 378 O THR A 26 -1.058 -28.866 -0.671 1.00 0.00 O ATOM 379 CB THR A 26 -2.341 -28.871 2.565 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.458 -28.361 1.849 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.183 -28.106 3.880 1.00 0.00 C ATOM 0 H THR A 26 -1.773 -26.689 1.715 1.00 0.00 H new ATOM 0 HA THR A 26 -0.199 -29.127 2.219 1.00 0.00 H new ATOM 0 HB THR A 26 -2.500 -29.928 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.767 -29.031 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.086 -28.223 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.329 -28.500 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.022 -27.049 3.669 1.00 0.00 H new ATOM 389 N SER A 27 -1.527 -30.708 0.430 1.00 0.00 N ATOM 390 CA SER A 27 -1.682 -31.483 -0.833 1.00 0.00 C ATOM 391 C SER A 27 -3.158 -31.558 -1.231 1.00 0.00 C ATOM 392 O SER A 27 -4.032 -31.670 -0.394 1.00 0.00 O ATOM 393 CB SER A 27 -1.146 -32.876 -0.507 1.00 0.00 C ATOM 394 OG SER A 27 0.138 -32.762 0.089 1.00 0.00 O ATOM 0 H SER A 27 -1.677 -31.241 1.287 1.00 0.00 H new ATOM 0 HA SER A 27 -1.151 -31.024 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.828 -33.391 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.085 -33.476 -1.415 1.00 0.00 H new ATOM 0 HG SER A 27 0.671 -33.555 -0.128 1.00 0.00 H new ATOM 400 N SER A 28 -3.443 -31.501 -2.503 1.00 0.00 N ATOM 401 CA SER A 28 -4.863 -31.572 -2.954 1.00 0.00 C ATOM 402 C SER A 28 -5.432 -32.971 -2.703 1.00 0.00 C ATOM 403 O SER A 28 -6.601 -33.224 -2.916 1.00 0.00 O ATOM 404 CB SER A 28 -4.821 -31.269 -4.451 1.00 0.00 C ATOM 405 OG SER A 28 -5.956 -30.494 -4.809 1.00 0.00 O ATOM 0 H SER A 28 -2.755 -31.408 -3.250 1.00 0.00 H new ATOM 0 HA SER A 28 -5.501 -30.871 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.906 -30.730 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.807 -32.198 -5.021 1.00 0.00 H new ATOM 0 HG SER A 28 -5.929 -30.298 -5.769 1.00 0.00 H new ATOM 411 N GLU A 29 -4.615 -33.880 -2.251 1.00 0.00 N ATOM 412 CA GLU A 29 -5.110 -35.261 -1.987 1.00 0.00 C ATOM 413 C GLU A 29 -6.006 -35.268 -0.746 1.00 0.00 C ATOM 414 O GLU A 29 -6.860 -36.118 -0.590 1.00 0.00 O ATOM 415 CB GLU A 29 -3.852 -36.095 -1.745 1.00 0.00 C ATOM 416 CG GLU A 29 -4.165 -37.572 -1.991 1.00 0.00 C ATOM 417 CD GLU A 29 -4.632 -38.218 -0.685 1.00 0.00 C ATOM 418 OE1 GLU A 29 -4.587 -37.549 0.334 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.028 -39.372 -0.727 1.00 0.00 O ATOM 0 H GLU A 29 -3.626 -33.728 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.704 -35.653 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.052 -35.766 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.499 -35.952 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.937 -37.669 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.280 -38.085 -2.367 1.00 0.00 H new ATOM 426 N CYS A 30 -5.820 -34.325 0.136 1.00 0.00 N ATOM 427 CA CYS A 30 -6.665 -34.277 1.364 1.00 0.00 C ATOM 428 C CYS A 30 -8.090 -33.846 1.004 1.00 0.00 C ATOM 429 O CYS A 30 -8.306 -33.110 0.063 1.00 0.00 O ATOM 430 CB CYS A 30 -6.000 -33.233 2.262 1.00 0.00 C ATOM 431 SG CYS A 30 -5.295 -34.048 3.716 1.00 0.00 S ATOM 0 H CYS A 30 -5.121 -33.586 0.060 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.739 -35.247 1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.219 -32.709 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.730 -32.485 2.570 1.00 0.00 H new ATOM 436 N SER A 31 -9.063 -34.301 1.745 1.00 0.00 N ATOM 437 CA SER A 31 -10.473 -33.918 1.442 1.00 0.00 C ATOM 438 C SER A 31 -10.653 -32.404 1.568 1.00 0.00 C ATOM 439 O SER A 31 -11.653 -31.849 1.157 1.00 0.00 O ATOM 440 CB SER A 31 -11.318 -34.650 2.484 1.00 0.00 C ATOM 441 OG SER A 31 -12.570 -35.004 1.914 1.00 0.00 O ATOM 0 H SER A 31 -8.944 -34.921 2.546 1.00 0.00 H new ATOM 0 HA SER A 31 -10.761 -34.185 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.797 -35.544 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.470 -34.014 3.356 1.00 0.00 H new ATOM 0 HG SER A 31 -13.112 -35.475 2.581 1.00 0.00 H new ATOM 447 N LYS A 32 -9.690 -31.736 2.131 1.00 0.00 N ATOM 448 CA LYS A 32 -9.792 -30.256 2.286 1.00 0.00 C ATOM 449 C LYS A 32 -8.392 -29.635 2.288 1.00 0.00 C ATOM 450 O LYS A 32 -7.586 -29.926 3.150 1.00 0.00 O ATOM 451 CB LYS A 32 -10.481 -30.040 3.636 1.00 0.00 C ATOM 452 CG LYS A 32 -9.886 -30.992 4.677 1.00 0.00 C ATOM 453 CD LYS A 32 -10.469 -30.671 6.056 1.00 0.00 C ATOM 454 CE LYS A 32 -11.722 -31.518 6.291 1.00 0.00 C ATOM 455 NZ LYS A 32 -11.521 -32.131 7.635 1.00 0.00 N ATOM 0 H LYS A 32 -8.831 -32.150 2.493 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.348 -29.791 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.354 -29.007 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.553 -30.214 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.107 -32.025 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.801 -30.893 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.730 -30.873 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.716 -29.611 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.624 -30.906 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.834 -32.281 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.339 -32.728 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.659 -32.713 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.424 -31.380 8.348 1.00 0.00 H new ATOM 469 N PRO A 33 -8.146 -28.801 1.312 1.00 0.00 N ATOM 470 CA PRO A 33 -6.825 -28.137 1.195 1.00 0.00 C ATOM 471 C PRO A 33 -6.657 -27.074 2.282 1.00 0.00 C ATOM 472 O PRO A 33 -7.464 -26.956 3.182 1.00 0.00 O ATOM 473 CB PRO A 33 -6.866 -27.497 -0.190 1.00 0.00 C ATOM 474 CG PRO A 33 -8.320 -27.305 -0.482 1.00 0.00 C ATOM 475 CD PRO A 33 -9.064 -28.400 0.239 1.00 0.00 C ATOM 0 HA PRO A 33 -5.990 -28.826 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.332 -26.547 -0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.395 -28.137 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.655 -26.324 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.507 -27.353 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.013 -28.043 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.291 -29.234 -0.425 1.00 0.00 H new ATOM 483 N GLY A 34 -5.609 -26.302 2.205 1.00 0.00 N ATOM 484 CA GLY A 34 -5.377 -25.247 3.228 1.00 0.00 C ATOM 485 C GLY A 34 -3.884 -24.921 3.279 1.00 0.00 C ATOM 486 O GLY A 34 -3.050 -25.758 3.006 1.00 0.00 O ATOM 0 H GLY A 34 -4.900 -26.358 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.949 -24.352 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.721 -25.588 4.204 1.00 0.00 H new ATOM 490 N VAL A 35 -3.539 -23.714 3.628 1.00 0.00 N ATOM 491 CA VAL A 35 -2.095 -23.345 3.694 1.00 0.00 C ATOM 492 C VAL A 35 -1.703 -23.048 5.142 1.00 0.00 C ATOM 493 O VAL A 35 -2.349 -22.277 5.824 1.00 0.00 O ATOM 494 CB VAL A 35 -1.945 -22.096 2.811 1.00 0.00 C ATOM 495 CG1 VAL A 35 -3.162 -21.184 2.982 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.679 -21.331 3.207 1.00 0.00 C ATOM 0 H VAL A 35 -4.191 -22.968 3.870 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.445 -24.149 3.347 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.872 -22.408 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.047 -20.302 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.064 -21.722 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.243 -20.878 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.577 -20.446 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.749 -21.028 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.191 -21.974 3.073 1.00 0.00 H new ATOM 506 N ILE A 36 -0.652 -23.656 5.619 1.00 0.00 N ATOM 507 CA ILE A 36 -0.228 -23.408 7.024 1.00 0.00 C ATOM 508 C ILE A 36 1.061 -22.586 7.050 1.00 0.00 C ATOM 509 O ILE A 36 2.014 -22.885 6.359 1.00 0.00 O ATOM 510 CB ILE A 36 -0.002 -24.801 7.625 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.349 -25.393 8.044 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.913 -24.697 8.851 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.121 -26.622 8.928 1.00 0.00 C ATOM 0 H ILE A 36 -0.070 -24.312 5.098 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.970 -22.843 7.587 1.00 0.00 H new ATOM 0 HB ILE A 36 0.468 -25.444 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.932 -24.648 8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.926 -25.670 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.070 -25.690 9.273 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.872 -24.273 8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.448 -24.054 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.083 -27.041 9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.555 -27.370 8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.562 -26.332 9.818 1.00 0.00 H new ATOM 525 N PHE A 37 1.102 -21.559 7.850 1.00 0.00 N ATOM 526 CA PHE A 37 2.336 -20.731 7.924 1.00 0.00 C ATOM 527 C PHE A 37 3.251 -21.274 9.025 1.00 0.00 C ATOM 528 O PHE A 37 2.804 -21.611 10.103 1.00 0.00 O ATOM 529 CB PHE A 37 1.865 -19.322 8.292 1.00 0.00 C ATOM 530 CG PHE A 37 1.038 -18.728 7.175 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.273 -19.168 6.960 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.580 -17.722 6.365 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.041 -18.603 5.934 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.814 -17.160 5.339 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.497 -17.599 5.124 1.00 0.00 C ATOM 0 H PHE A 37 0.337 -21.258 8.454 1.00 0.00 H new ATOM 0 HA PHE A 37 2.892 -20.741 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.276 -19.358 9.208 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.727 -18.685 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.692 -19.943 7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.591 -17.380 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.053 -18.942 5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.234 -16.387 4.713 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.089 -17.163 4.333 1.00 0.00 H new ATOM 545 N LEU A 38 4.526 -21.346 8.772 1.00 0.00 N ATOM 546 CA LEU A 38 5.461 -21.850 9.814 1.00 0.00 C ATOM 547 C LEU A 38 6.089 -20.658 10.534 1.00 0.00 C ATOM 548 O LEU A 38 6.677 -19.793 9.918 1.00 0.00 O ATOM 549 CB LEU A 38 6.524 -22.641 9.051 1.00 0.00 C ATOM 550 CG LEU A 38 6.474 -24.109 9.479 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.774 -24.215 10.975 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.081 -24.675 9.197 1.00 0.00 C ATOM 0 H LEU A 38 4.961 -21.078 7.889 1.00 0.00 H new ATOM 0 HA LEU A 38 4.969 -22.470 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.353 -22.558 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.513 -22.227 9.249 1.00 0.00 H new ATOM 0 HG LEU A 38 7.217 -24.676 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.738 -25.261 11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.766 -23.812 11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.031 -23.648 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.045 -25.721 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.338 -24.108 9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.867 -24.600 8.131 1.00 0.00 H new ATOM 564 N THR A 39 5.953 -20.594 11.829 1.00 0.00 N ATOM 565 CA THR A 39 6.526 -19.442 12.581 1.00 0.00 C ATOM 566 C THR A 39 7.956 -19.749 13.025 1.00 0.00 C ATOM 567 O THR A 39 8.295 -20.874 13.336 1.00 0.00 O ATOM 568 CB THR A 39 5.617 -19.269 13.800 1.00 0.00 C ATOM 569 OG1 THR A 39 5.932 -20.262 14.766 1.00 0.00 O ATOM 570 CG2 THR A 39 4.152 -19.412 13.380 1.00 0.00 C ATOM 0 H THR A 39 5.470 -21.289 12.399 1.00 0.00 H new ATOM 0 HA THR A 39 6.571 -18.540 11.971 1.00 0.00 H new ATOM 0 HB THR A 39 5.772 -18.278 14.228 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.216 -19.830 15.598 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.510 -19.288 14.252 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.910 -18.650 12.639 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.992 -20.400 12.949 1.00 0.00 H new ATOM 578 N LYS A 40 8.795 -18.752 13.057 1.00 0.00 N ATOM 579 CA LYS A 40 10.207 -18.979 13.482 1.00 0.00 C ATOM 580 C LYS A 40 10.255 -19.397 14.955 1.00 0.00 C ATOM 581 O LYS A 40 11.148 -20.102 15.381 1.00 0.00 O ATOM 582 CB LYS A 40 10.901 -17.631 13.285 1.00 0.00 C ATOM 583 CG LYS A 40 12.355 -17.733 13.751 1.00 0.00 C ATOM 584 CD LYS A 40 13.265 -17.020 12.748 1.00 0.00 C ATOM 585 CE LYS A 40 14.631 -16.768 13.389 1.00 0.00 C ATOM 586 NZ LYS A 40 15.029 -15.411 12.920 1.00 0.00 N ATOM 0 H LYS A 40 8.566 -17.790 12.808 1.00 0.00 H new ATOM 0 HA LYS A 40 10.688 -19.773 12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.864 -17.341 12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.381 -16.856 13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.464 -17.285 14.739 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.646 -18.779 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.379 -17.626 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.816 -16.076 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.571 -16.808 14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.357 -17.521 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.958 -15.165 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.084 -15.405 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.323 -14.715 13.233 1.00 0.00 H new ATOM 600 N LYS A 41 9.301 -18.967 15.737 1.00 0.00 N ATOM 601 CA LYS A 41 9.296 -19.341 17.182 1.00 0.00 C ATOM 602 C LYS A 41 8.986 -20.831 17.344 1.00 0.00 C ATOM 603 O LYS A 41 9.034 -21.371 18.431 1.00 0.00 O ATOM 604 CB LYS A 41 8.194 -18.489 17.810 1.00 0.00 C ATOM 605 CG LYS A 41 8.801 -17.578 18.880 1.00 0.00 C ATOM 606 CD LYS A 41 7.842 -16.423 19.171 1.00 0.00 C ATOM 607 CE LYS A 41 6.716 -16.912 20.083 1.00 0.00 C ATOM 608 NZ LYS A 41 7.345 -17.047 21.427 1.00 0.00 N ATOM 0 H LYS A 41 8.526 -18.374 15.439 1.00 0.00 H new ATOM 0 HA LYS A 41 10.262 -19.167 17.656 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.701 -17.890 17.044 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.432 -19.130 18.253 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.990 -18.146 19.791 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.761 -17.190 18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.379 -15.602 19.646 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.428 -16.037 18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.888 -16.204 20.103 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.313 -17.864 19.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.624 -16.908 22.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.759 -17.996 21.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.092 -16.331 21.534 1.00 0.00 H new ATOM 622 N GLY A 42 8.674 -21.497 16.269 1.00 0.00 N ATOM 623 CA GLY A 42 8.366 -22.953 16.356 1.00 0.00 C ATOM 624 C GLY A 42 6.857 -23.155 16.519 1.00 0.00 C ATOM 625 O GLY A 42 6.399 -23.692 17.508 1.00 0.00 O ATOM 0 H GLY A 42 8.619 -21.097 15.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.715 -23.462 15.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.895 -23.396 17.200 1.00 0.00 H new ATOM 629 N ARG A 43 6.081 -22.732 15.558 1.00 0.00 N ATOM 630 CA ARG A 43 4.605 -22.906 15.662 1.00 0.00 C ATOM 631 C ARG A 43 3.991 -23.059 14.268 1.00 0.00 C ATOM 632 O ARG A 43 4.676 -22.989 13.267 1.00 0.00 O ATOM 633 CB ARG A 43 4.103 -21.629 16.332 1.00 0.00 C ATOM 634 CG ARG A 43 2.970 -21.976 17.298 1.00 0.00 C ATOM 635 CD ARG A 43 3.497 -21.959 18.734 1.00 0.00 C ATOM 636 NE ARG A 43 2.394 -21.360 19.536 1.00 0.00 N ATOM 637 CZ ARG A 43 1.916 -21.999 20.569 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.515 -21.913 21.725 1.00 0.00 N ATOM 639 NH2 ARG A 43 0.837 -22.724 20.445 1.00 0.00 N ATOM 0 H ARG A 43 6.406 -22.274 14.706 1.00 0.00 H new ATOM 0 HA ARG A 43 4.333 -23.797 16.228 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.917 -21.142 16.869 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.751 -20.924 15.579 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.155 -21.260 17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.564 -22.959 17.060 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.737 -22.965 19.080 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.410 -21.369 18.814 1.00 0.00 H new ATOM 0 HE ARG A 43 2.012 -20.450 19.278 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.357 -21.346 21.822 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.141 -22.413 22.532 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.368 -22.791 19.541 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.463 -23.224 21.252 1.00 0.00 H new ATOM 653 N GLN A 44 2.705 -23.273 14.194 1.00 0.00 N ATOM 654 CA GLN A 44 2.053 -23.434 12.863 1.00 0.00 C ATOM 655 C GLN A 44 0.634 -22.859 12.888 1.00 0.00 C ATOM 656 O GLN A 44 -0.099 -23.026 13.843 1.00 0.00 O ATOM 657 CB GLN A 44 2.010 -24.944 12.631 1.00 0.00 C ATOM 658 CG GLN A 44 1.406 -25.629 13.859 1.00 0.00 C ATOM 659 CD GLN A 44 0.719 -26.927 13.433 1.00 0.00 C ATOM 660 OE1 GLN A 44 -0.420 -27.168 13.781 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.368 -27.780 12.689 1.00 0.00 N ATOM 0 H GLN A 44 2.079 -23.343 14.996 1.00 0.00 H new ATOM 0 HA GLN A 44 2.592 -22.909 12.074 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.416 -25.170 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.015 -25.324 12.446 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.186 -25.841 14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.688 -24.966 14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.324 -27.578 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.919 -28.649 12.400 1.00 0.00 H new ATOM 670 N VAL A 45 0.240 -22.187 11.841 1.00 0.00 N ATOM 671 CA VAL A 45 -1.133 -21.607 11.796 1.00 0.00 C ATOM 672 C VAL A 45 -1.900 -22.181 10.603 1.00 0.00 C ATOM 673 O VAL A 45 -1.330 -22.453 9.567 1.00 0.00 O ATOM 674 CB VAL A 45 -0.923 -20.102 11.626 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.235 -19.450 11.184 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.476 -19.499 12.959 1.00 0.00 C ATOM 0 H VAL A 45 0.810 -22.014 11.013 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.712 -21.836 12.691 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.158 -19.923 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.085 -18.377 11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.554 -19.881 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.001 -19.626 11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.325 -18.426 12.841 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.242 -19.677 13.714 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.458 -19.964 13.274 1.00 0.00 H new ATOM 686 N CYS A 46 -3.184 -22.368 10.737 1.00 0.00 N ATOM 687 CA CYS A 46 -3.974 -22.925 9.599 1.00 0.00 C ATOM 688 C CYS A 46 -4.763 -21.808 8.916 1.00 0.00 C ATOM 689 O CYS A 46 -5.447 -21.043 9.560 1.00 0.00 O ATOM 690 CB CYS A 46 -4.922 -23.945 10.233 1.00 0.00 C ATOM 691 SG CYS A 46 -4.372 -25.622 9.827 1.00 0.00 S ATOM 0 H CYS A 46 -3.720 -22.161 11.580 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.341 -23.381 8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.945 -23.811 11.315 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.938 -23.787 9.870 1.00 0.00 H new ATOM 696 N ALA A 47 -4.680 -21.703 7.619 1.00 0.00 N ATOM 697 CA ALA A 47 -5.438 -20.628 6.920 1.00 0.00 C ATOM 698 C ALA A 47 -6.093 -21.178 5.654 1.00 0.00 C ATOM 699 O ALA A 47 -5.678 -22.183 5.111 1.00 0.00 O ATOM 700 CB ALA A 47 -4.401 -19.564 6.569 1.00 0.00 C ATOM 0 H ALA A 47 -4.124 -22.310 7.016 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.237 -20.223 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.888 -18.738 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.935 -19.194 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.638 -19.999 5.923 1.00 0.00 H new ATOM 706 N LYS A 48 -7.114 -20.524 5.178 1.00 0.00 N ATOM 707 CA LYS A 48 -7.798 -21.004 3.945 1.00 0.00 C ATOM 708 C LYS A 48 -6.862 -20.882 2.739 1.00 0.00 C ATOM 709 O LYS A 48 -5.754 -20.399 2.858 1.00 0.00 O ATOM 710 CB LYS A 48 -9.009 -20.085 3.780 1.00 0.00 C ATOM 711 CG LYS A 48 -10.288 -20.879 4.048 1.00 0.00 C ATOM 712 CD LYS A 48 -10.867 -20.469 5.403 1.00 0.00 C ATOM 713 CE LYS A 48 -11.289 -18.998 5.354 1.00 0.00 C ATOM 714 NZ LYS A 48 -12.622 -18.958 6.022 1.00 0.00 N ATOM 0 H LYS A 48 -7.505 -19.677 5.589 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.089 -22.052 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.938 -19.244 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.030 -19.670 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.016 -20.694 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.074 -21.948 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.724 -21.096 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.126 -20.620 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.569 -18.363 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.351 -18.639 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.978 -17.981 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.288 -19.566 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.530 -19.299 7.000 1.00 0.00 H new ATOM 728 N PRO A 49 -7.347 -21.329 1.614 1.00 0.00 N ATOM 729 CA PRO A 49 -6.550 -21.276 0.364 1.00 0.00 C ATOM 730 C PRO A 49 -6.492 -19.840 -0.166 1.00 0.00 C ATOM 731 O PRO A 49 -5.486 -19.398 -0.683 1.00 0.00 O ATOM 732 CB PRO A 49 -7.326 -22.175 -0.592 1.00 0.00 C ATOM 733 CG PRO A 49 -8.735 -22.159 -0.085 1.00 0.00 C ATOM 734 CD PRO A 49 -8.672 -21.923 1.403 1.00 0.00 C ATOM 0 HA PRO A 49 -5.517 -21.596 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.271 -21.803 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.921 -23.187 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.311 -21.374 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.233 -23.103 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.466 -21.254 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.785 -22.853 1.960 1.00 0.00 H new ATOM 742 N SER A 50 -7.566 -19.110 -0.038 1.00 0.00 N ATOM 743 CA SER A 50 -7.578 -17.703 -0.531 1.00 0.00 C ATOM 744 C SER A 50 -8.025 -16.758 0.588 1.00 0.00 C ATOM 745 O SER A 50 -8.764 -15.820 0.364 1.00 0.00 O ATOM 746 CB SER A 50 -8.588 -17.696 -1.679 1.00 0.00 C ATOM 747 OG SER A 50 -8.076 -18.455 -2.765 1.00 0.00 O ATOM 0 H SER A 50 -8.437 -19.427 0.387 1.00 0.00 H new ATOM 0 HA SER A 50 -6.593 -17.367 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.537 -18.114 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.785 -16.672 -1.998 1.00 0.00 H new ATOM 0 HG SER A 50 -8.724 -18.452 -3.500 1.00 0.00 H new ATOM 753 N GLY A 51 -7.584 -17.002 1.792 1.00 0.00 N ATOM 754 CA GLY A 51 -7.984 -16.123 2.928 1.00 0.00 C ATOM 755 C GLY A 51 -7.599 -14.674 2.621 1.00 0.00 C ATOM 756 O GLY A 51 -6.636 -14.420 1.925 1.00 0.00 O ATOM 0 H GLY A 51 -6.963 -17.773 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.059 -16.196 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.495 -16.453 3.845 1.00 0.00 H new ATOM 760 N PRO A 52 -8.371 -13.770 3.160 1.00 0.00 N ATOM 761 CA PRO A 52 -8.118 -12.323 2.948 1.00 0.00 C ATOM 762 C PRO A 52 -6.836 -11.897 3.666 1.00 0.00 C ATOM 763 O PRO A 52 -6.813 -11.726 4.869 1.00 0.00 O ATOM 764 CB PRO A 52 -9.343 -11.652 3.564 1.00 0.00 C ATOM 765 CG PRO A 52 -9.854 -12.639 4.564 1.00 0.00 C ATOM 766 CD PRO A 52 -9.540 -14.006 4.016 1.00 0.00 C ATOM 0 HA PRO A 52 -7.979 -12.058 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.080 -10.707 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.095 -11.430 2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.378 -12.491 5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.927 -12.519 4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.318 -14.717 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.377 -14.414 3.449 1.00 0.00 H new ATOM 774 N GLY A 53 -5.768 -11.730 2.937 1.00 0.00 N ATOM 775 CA GLY A 53 -4.487 -11.322 3.575 1.00 0.00 C ATOM 776 C GLY A 53 -3.557 -12.534 3.661 1.00 0.00 C ATOM 777 O GLY A 53 -2.355 -12.398 3.746 1.00 0.00 O ATOM 0 H GLY A 53 -5.728 -11.859 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.016 -10.528 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.675 -10.922 4.571 1.00 0.00 H new ATOM 781 N VAL A 54 -4.107 -13.718 3.635 1.00 0.00 N ATOM 782 CA VAL A 54 -3.254 -14.941 3.710 1.00 0.00 C ATOM 783 C VAL A 54 -2.325 -15.004 2.499 1.00 0.00 C ATOM 784 O VAL A 54 -1.162 -15.335 2.616 1.00 0.00 O ATOM 785 CB VAL A 54 -4.245 -16.109 3.709 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.514 -17.422 3.409 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.915 -16.205 5.080 1.00 0.00 C ATOM 0 H VAL A 54 -5.110 -13.892 3.565 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.615 -14.957 4.593 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.997 -15.937 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.229 -18.245 3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.037 -17.358 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.755 -17.598 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.621 -17.035 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.156 -16.371 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.446 -15.277 5.291 1.00 0.00 H new ATOM 797 N GLN A 55 -2.822 -14.686 1.338 1.00 0.00 N ATOM 798 CA GLN A 55 -1.949 -14.728 0.135 1.00 0.00 C ATOM 799 C GLN A 55 -0.917 -13.609 0.224 1.00 0.00 C ATOM 800 O GLN A 55 0.193 -13.737 -0.248 1.00 0.00 O ATOM 801 CB GLN A 55 -2.885 -14.513 -1.054 1.00 0.00 C ATOM 802 CG GLN A 55 -3.043 -15.826 -1.824 1.00 0.00 C ATOM 803 CD GLN A 55 -2.238 -15.755 -3.122 1.00 0.00 C ATOM 804 OE1 GLN A 55 -2.431 -14.862 -3.923 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.336 -16.666 -3.366 1.00 0.00 N ATOM 0 H GLN A 55 -3.787 -14.401 1.171 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.405 -15.668 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.857 -14.164 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.485 -13.740 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.698 -16.661 -1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.095 -16.006 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.174 -17.416 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.793 -16.628 -4.229 1.00 0.00 H new ATOM 814 N ASP A 56 -1.270 -12.518 0.843 1.00 0.00 N ATOM 815 CA ASP A 56 -0.298 -11.402 0.983 1.00 0.00 C ATOM 816 C ASP A 56 0.817 -11.827 1.937 1.00 0.00 C ATOM 817 O ASP A 56 1.968 -11.480 1.760 1.00 0.00 O ATOM 818 CB ASP A 56 -1.101 -10.240 1.568 1.00 0.00 C ATOM 819 CG ASP A 56 -0.292 -8.947 1.448 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.878 -9.033 1.111 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.856 -7.894 1.694 1.00 0.00 O ATOM 0 H ASP A 56 -2.187 -12.352 1.257 1.00 0.00 H new ATOM 0 HA ASP A 56 0.167 -11.124 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.049 -10.138 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.337 -10.438 2.614 1.00 0.00 H new ATOM 826 N CYS A 57 0.485 -12.591 2.945 1.00 0.00 N ATOM 827 CA CYS A 57 1.525 -13.051 3.901 1.00 0.00 C ATOM 828 C CYS A 57 2.493 -13.994 3.187 1.00 0.00 C ATOM 829 O CYS A 57 3.696 -13.894 3.332 1.00 0.00 O ATOM 830 CB CYS A 57 0.749 -13.782 4.993 1.00 0.00 C ATOM 831 SG CYS A 57 -0.460 -12.648 5.713 1.00 0.00 S ATOM 0 H CYS A 57 -0.462 -12.914 3.144 1.00 0.00 H new ATOM 0 HA CYS A 57 2.121 -12.236 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.246 -14.655 4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.431 -14.143 5.762 1.00 0.00 H new ATOM 836 N MET A 58 1.977 -14.905 2.406 1.00 0.00 N ATOM 837 CA MET A 58 2.873 -15.843 1.678 1.00 0.00 C ATOM 838 C MET A 58 3.636 -15.095 0.584 1.00 0.00 C ATOM 839 O MET A 58 4.740 -15.457 0.227 1.00 0.00 O ATOM 840 CB MET A 58 1.951 -16.888 1.059 1.00 0.00 C ATOM 841 CG MET A 58 1.008 -17.449 2.128 1.00 0.00 C ATOM 842 SD MET A 58 -0.604 -17.802 1.384 1.00 0.00 S ATOM 843 CE MET A 58 -0.105 -19.268 0.449 1.00 0.00 C ATOM 0 H MET A 58 0.979 -15.038 2.243 1.00 0.00 H new ATOM 0 HA MET A 58 3.612 -16.297 2.338 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.373 -16.442 0.249 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.541 -17.694 0.623 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.429 -18.358 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.896 -16.733 2.942 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.992 -19.810 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.476 -18.964 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.503 -19.914 1.083 1.00 0.00 H new ATOM 853 N LYS A 59 3.061 -14.051 0.050 1.00 0.00 N ATOM 854 CA LYS A 59 3.765 -13.284 -1.014 1.00 0.00 C ATOM 855 C LYS A 59 4.990 -12.603 -0.411 1.00 0.00 C ATOM 856 O LYS A 59 6.075 -12.649 -0.956 1.00 0.00 O ATOM 857 CB LYS A 59 2.752 -12.246 -1.498 1.00 0.00 C ATOM 858 CG LYS A 59 2.856 -12.101 -3.018 1.00 0.00 C ATOM 859 CD LYS A 59 2.179 -13.295 -3.694 1.00 0.00 C ATOM 860 CE LYS A 59 2.797 -13.518 -5.075 1.00 0.00 C ATOM 861 NZ LYS A 59 1.661 -13.379 -6.030 1.00 0.00 N ATOM 0 H LYS A 59 2.138 -13.698 0.304 1.00 0.00 H new ATOM 0 HA LYS A 59 4.109 -13.914 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.743 -12.550 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.941 -11.286 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.383 -11.173 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.903 -12.046 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.299 -14.189 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.108 -13.114 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.578 -12.786 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.256 -14.504 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.005 -13.519 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.936 -14.093 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.248 -12.428 -5.942 1.00 0.00 H new ATOM 875 N LYS A 60 4.823 -11.981 0.722 1.00 0.00 N ATOM 876 CA LYS A 60 5.974 -11.307 1.378 1.00 0.00 C ATOM 877 C LYS A 60 6.967 -12.354 1.888 1.00 0.00 C ATOM 878 O LYS A 60 8.134 -12.074 2.078 1.00 0.00 O ATOM 879 CB LYS A 60 5.363 -10.531 2.546 1.00 0.00 C ATOM 880 CG LYS A 60 5.397 -9.033 2.237 1.00 0.00 C ATOM 881 CD LYS A 60 6.840 -8.530 2.319 1.00 0.00 C ATOM 882 CE LYS A 60 6.894 -7.066 1.877 1.00 0.00 C ATOM 883 NZ LYS A 60 8.298 -6.640 2.137 1.00 0.00 N ATOM 0 H LYS A 60 3.937 -11.911 1.222 1.00 0.00 H new ATOM 0 HA LYS A 60 6.519 -10.653 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.336 -10.855 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.916 -10.737 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.991 -8.846 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.770 -8.490 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.213 -8.628 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.485 -9.137 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.638 -6.962 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.186 -6.457 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.416 -5.645 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.511 -6.744 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.949 -7.233 1.584 1.00 0.00 H new ATOM 897 N LEU A 61 6.514 -13.561 2.117 1.00 0.00 N ATOM 898 CA LEU A 61 7.438 -14.617 2.620 1.00 0.00 C ATOM 899 C LEU A 61 8.337 -15.130 1.493 1.00 0.00 C ATOM 900 O LEU A 61 9.218 -15.938 1.709 1.00 0.00 O ATOM 901 CB LEU A 61 6.524 -15.732 3.126 1.00 0.00 C ATOM 902 CG LEU A 61 6.565 -15.787 4.658 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.525 -14.368 5.233 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.356 -16.574 5.169 1.00 0.00 C ATOM 0 H LEU A 61 5.548 -13.858 1.977 1.00 0.00 H new ATOM 0 HA LEU A 61 8.100 -14.242 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.503 -15.559 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.839 -16.689 2.711 1.00 0.00 H new ATOM 0 HG LEU A 61 7.486 -16.277 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.554 -14.416 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.385 -13.804 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.607 -13.873 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.382 -16.615 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.439 -16.082 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.385 -17.587 4.767 1.00 0.00 H new ATOM 916 N LYS A 62 8.123 -14.670 0.294 1.00 0.00 N ATOM 917 CA LYS A 62 8.968 -15.138 -0.842 1.00 0.00 C ATOM 918 C LYS A 62 9.756 -13.969 -1.439 1.00 0.00 C ATOM 919 O LYS A 62 9.201 -13.124 -2.113 1.00 0.00 O ATOM 920 CB LYS A 62 7.984 -15.697 -1.870 1.00 0.00 C ATOM 921 CG LYS A 62 8.761 -16.267 -3.059 1.00 0.00 C ATOM 922 CD LYS A 62 7.822 -16.422 -4.256 1.00 0.00 C ATOM 923 CE LYS A 62 6.762 -17.479 -3.939 1.00 0.00 C ATOM 924 NZ LYS A 62 5.737 -17.331 -5.012 1.00 0.00 N ATOM 0 H LYS A 62 7.402 -13.992 0.050 1.00 0.00 H new ATOM 0 HA LYS A 62 9.697 -15.884 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.370 -16.475 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.307 -14.912 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.589 -15.606 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.193 -17.232 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.344 -15.469 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.388 -16.713 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.191 -18.481 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.327 -17.318 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.976 -18.024 -4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.341 -16.370 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.178 -17.496 -5.939 1.00 0.00 H new ATOM 938 N PRO A 63 11.033 -13.967 -1.170 1.00 0.00 N ATOM 939 CA PRO A 63 11.918 -12.897 -1.688 1.00 0.00 C ATOM 940 C PRO A 63 12.151 -13.081 -3.190 1.00 0.00 C ATOM 941 O PRO A 63 12.891 -13.949 -3.611 1.00 0.00 O ATOM 942 CB PRO A 63 13.215 -13.096 -0.909 1.00 0.00 C ATOM 943 CG PRO A 63 13.208 -14.538 -0.508 1.00 0.00 C ATOM 944 CD PRO A 63 11.765 -14.951 -0.366 1.00 0.00 C ATOM 0 HA PRO A 63 11.502 -11.897 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.084 -12.861 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.256 -12.444 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.712 -15.149 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.743 -14.679 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.602 -15.965 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.445 -14.932 0.676 1.00 0.00 H new ATOM 952 N TYR A 64 11.526 -12.273 -4.002 1.00 0.00 N ATOM 953 CA TYR A 64 11.715 -12.406 -5.475 1.00 0.00 C ATOM 954 C TYR A 64 11.512 -11.052 -6.159 1.00 0.00 C ATOM 955 O TYR A 64 10.844 -10.950 -7.169 1.00 0.00 O ATOM 956 CB TYR A 64 10.647 -13.404 -5.925 1.00 0.00 C ATOM 957 CG TYR A 64 11.269 -14.414 -6.858 1.00 0.00 C ATOM 958 CD1 TYR A 64 11.516 -14.073 -8.194 1.00 0.00 C ATOM 959 CD2 TYR A 64 11.604 -15.689 -6.388 1.00 0.00 C ATOM 960 CE1 TYR A 64 12.096 -15.009 -9.059 1.00 0.00 C ATOM 961 CE2 TYR A 64 12.184 -16.624 -7.252 1.00 0.00 C ATOM 962 CZ TYR A 64 12.430 -16.284 -8.588 1.00 0.00 C ATOM 963 OH TYR A 64 13.003 -17.205 -9.440 1.00 0.00 O ATOM 0 H TYR A 64 10.894 -11.528 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 64 12.719 -12.743 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 64 10.216 -13.908 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.833 -12.881 -6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 64 11.259 -13.089 -8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 64 11.415 -15.951 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.286 -14.747 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 64 12.442 -17.608 -6.889 1.00 0.00 H new ATOM 0 HH TYR A 64 13.173 -18.039 -8.954 1.00 0.00 H new ATOM 973 N SER A 65 12.086 -10.013 -5.619 1.00 0.00 N ATOM 974 CA SER A 65 11.930 -8.667 -6.240 1.00 0.00 C ATOM 975 C SER A 65 13.167 -8.332 -7.076 1.00 0.00 C ATOM 976 O SER A 65 13.907 -7.417 -6.770 1.00 0.00 O ATOM 977 CB SER A 65 11.799 -7.699 -5.065 1.00 0.00 C ATOM 978 OG SER A 65 11.731 -6.368 -5.554 1.00 0.00 O ATOM 0 H SER A 65 12.657 -10.037 -4.774 1.00 0.00 H new ATOM 0 HA SER A 65 11.068 -8.614 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.905 -7.931 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.651 -7.808 -4.393 1.00 0.00 H new ATOM 0 HG SER A 65 12.523 -6.179 -6.099 1.00 0.00 H new ATOM 984 N ILE A 66 13.400 -9.069 -8.127 1.00 0.00 N ATOM 985 CA ILE A 66 14.592 -8.796 -8.979 1.00 0.00 C ATOM 986 C ILE A 66 14.515 -9.611 -10.274 1.00 0.00 C ATOM 987 O ILE A 66 13.416 -9.986 -10.649 1.00 0.00 O ATOM 988 CB ILE A 66 15.787 -9.241 -8.136 1.00 0.00 C ATOM 989 CG1 ILE A 66 17.085 -8.927 -8.883 1.00 0.00 C ATOM 990 CG2 ILE A 66 15.696 -10.747 -7.881 1.00 0.00 C ATOM 991 CD1 ILE A 66 18.203 -8.659 -7.872 1.00 0.00 C ATOM 992 OXT ILE A 66 15.555 -9.846 -10.866 1.00 0.00 O ATOM 0 H ILE A 66 12.817 -9.848 -8.433 1.00 0.00 H new ATOM 0 HA ILE A 66 14.663 -7.748 -9.269 1.00 0.00 H new ATOM 0 HB ILE A 66 15.779 -8.709 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 66 17.357 -9.762 -9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 66 16.946 -8.058 -9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 66 16.547 -11.066 -7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.772 -10.971 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 66 15.704 -11.278 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 66 19.128 -8.435 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 17.930 -7.810 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 66 18.348 -9.540 -7.247 1.00 0.00 H new TER 1004 ILE A 66