USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 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= -1.31 K(o=-1.3,f=-2.8) USER MOD Single : A 1 HIS N :NH3+ 147:sc= 0.0315 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 37:sc= 0.122 USER MOD Single : A 10 TYR OH : rot 21:sc= 0.663 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 13 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.112 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -119:sc= -11.6! (180deg=-15.2!) 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 80:sc= -0.53 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= -2.01 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.768 K(o=-0.77,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= -0.0428 X(o=-0.043,f=-0.2) USER MOD Single : A 58 MET CE :methyl -161:sc= 0 (180deg=-0.494) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.246 (180deg=-1.72!) USER MOD Single : A 60 LYS NZ :NH3+ 132:sc= -0.205 (180deg=-0.381) 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 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 10.950 -40.791 2.036 1.00 0.00 N ATOM 2 CA HIS A 1 10.077 -40.064 3.002 1.00 0.00 C ATOM 3 C HIS A 1 8.697 -39.814 2.384 1.00 0.00 C ATOM 4 O HIS A 1 8.565 -39.633 1.190 1.00 0.00 O ATOM 5 CB HIS A 1 10.795 -38.741 3.265 1.00 0.00 C ATOM 6 CG HIS A 1 10.063 -37.978 4.335 1.00 0.00 C ATOM 7 ND1 HIS A 1 8.847 -37.357 4.098 1.00 0.00 N ATOM 8 CD2 HIS A 1 10.361 -37.729 5.652 1.00 0.00 C ATOM 9 CE1 HIS A 1 8.462 -36.767 5.244 1.00 0.00 C ATOM 10 NE2 HIS A 1 9.349 -36.964 6.224 1.00 0.00 N ATOM 0 H1 HIS A 1 11.937 -40.489 2.165 1.00 0.00 H new ATOM 0 H2 HIS A 1 10.876 -41.815 2.204 1.00 0.00 H new ATOM 0 H3 HIS A 1 10.647 -40.577 1.065 1.00 0.00 H new ATOM 0 HA HIS A 1 9.915 -40.629 3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 1 11.823 -38.928 3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 1 10.841 -38.151 2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 1 11.246 -38.074 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 1 7.548 -36.203 5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 1 9.296 -36.626 7.185 1.00 0.00 H new ATOM 20 N PHE A 2 7.671 -39.802 3.190 1.00 0.00 N ATOM 21 CA PHE A 2 6.300 -39.564 2.652 1.00 0.00 C ATOM 22 C PHE A 2 5.373 -39.090 3.774 1.00 0.00 C ATOM 23 O PHE A 2 5.039 -39.837 4.672 1.00 0.00 O ATOM 24 CB PHE A 2 5.840 -40.921 2.117 1.00 0.00 C ATOM 25 CG PHE A 2 5.176 -40.739 0.773 1.00 0.00 C ATOM 26 CD1 PHE A 2 3.852 -40.288 0.700 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.883 -41.026 -0.401 1.00 0.00 C ATOM 28 CE1 PHE A 2 3.236 -40.124 -0.545 1.00 0.00 C ATOM 29 CE2 PHE A 2 5.266 -40.861 -1.647 1.00 0.00 C ATOM 30 CZ PHE A 2 3.943 -40.411 -1.720 1.00 0.00 C ATOM 0 H PHE A 2 7.722 -39.947 4.198 1.00 0.00 H new ATOM 0 HA PHE A 2 6.287 -38.797 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 2 6.692 -41.594 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.144 -41.382 2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.306 -40.067 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.904 -41.374 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 2 2.215 -39.776 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.812 -41.081 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.467 -40.285 -2.681 1.00 0.00 H new ATOM 40 N ALA A 3 4.957 -37.853 3.734 1.00 0.00 N ATOM 41 CA ALA A 3 4.055 -37.339 4.805 1.00 0.00 C ATOM 42 C ALA A 3 3.137 -36.244 4.252 1.00 0.00 C ATOM 43 O ALA A 3 3.338 -35.741 3.164 1.00 0.00 O ATOM 44 CB ALA A 3 4.995 -36.767 5.866 1.00 0.00 C ATOM 0 H ALA A 3 5.201 -37.178 3.009 1.00 0.00 H new ATOM 0 HA ALA A 3 3.406 -38.117 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.409 -36.366 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.651 -37.556 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.596 -35.970 5.428 1.00 0.00 H new ATOM 50 N ALA A 4 2.132 -35.871 4.998 1.00 0.00 N ATOM 51 CA ALA A 4 1.198 -34.808 4.523 1.00 0.00 C ATOM 52 C ALA A 4 0.583 -34.072 5.719 1.00 0.00 C ATOM 53 O ALA A 4 0.263 -34.669 6.728 1.00 0.00 O ATOM 54 CB ALA A 4 0.118 -35.552 3.737 1.00 0.00 C ATOM 0 H ALA A 4 1.917 -36.257 5.917 1.00 0.00 H new ATOM 0 HA ALA A 4 1.701 -34.058 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.610 -34.837 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.576 -36.086 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.383 -36.264 4.392 1.00 0.00 H new ATOM 60 N ASP A 5 0.417 -32.781 5.613 1.00 0.00 N ATOM 61 CA ASP A 5 -0.176 -32.008 6.745 1.00 0.00 C ATOM 62 C ASP A 5 -1.453 -31.297 6.287 1.00 0.00 C ATOM 63 O ASP A 5 -1.482 -30.659 5.253 1.00 0.00 O ATOM 64 CB ASP A 5 0.896 -30.987 7.130 1.00 0.00 C ATOM 65 CG ASP A 5 2.196 -31.719 7.472 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.655 -32.488 6.644 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.708 -31.496 8.556 1.00 0.00 O ATOM 0 H ASP A 5 0.666 -32.228 4.793 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.451 -32.648 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.063 -30.291 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.562 -30.397 7.984 1.00 0.00 H new ATOM 72 N CYS A 6 -2.511 -31.400 7.047 1.00 0.00 N ATOM 73 CA CYS A 6 -3.782 -30.728 6.650 1.00 0.00 C ATOM 74 C CYS A 6 -4.573 -30.304 7.890 1.00 0.00 C ATOM 75 O CYS A 6 -4.748 -31.067 8.819 1.00 0.00 O ATOM 76 CB CYS A 6 -4.557 -31.777 5.856 1.00 0.00 C ATOM 77 SG CYS A 6 -3.558 -32.329 4.450 1.00 0.00 S ATOM 0 H CYS A 6 -2.550 -31.920 7.924 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.601 -29.825 6.066 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.803 -32.624 6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.500 -31.359 5.504 1.00 0.00 H new ATOM 82 N CYS A 7 -5.051 -29.092 7.908 1.00 0.00 N ATOM 83 CA CYS A 7 -5.833 -28.611 9.084 1.00 0.00 C ATOM 84 C CYS A 7 -7.336 -28.741 8.818 1.00 0.00 C ATOM 85 O CYS A 7 -7.791 -28.617 7.698 1.00 0.00 O ATOM 86 CB CYS A 7 -5.444 -27.140 9.240 1.00 0.00 C ATOM 87 SG CYS A 7 -4.555 -26.916 10.801 1.00 0.00 S ATOM 0 H CYS A 7 -4.934 -28.411 7.158 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.621 -29.190 9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.818 -26.827 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.335 -26.513 9.223 1.00 0.00 H new ATOM 92 N THR A 8 -8.113 -28.975 9.841 1.00 0.00 N ATOM 93 CA THR A 8 -9.586 -29.093 9.647 1.00 0.00 C ATOM 94 C THR A 8 -10.251 -27.759 9.991 1.00 0.00 C ATOM 95 O THR A 8 -11.372 -27.488 9.610 1.00 0.00 O ATOM 96 CB THR A 8 -10.035 -30.188 10.617 1.00 0.00 C ATOM 97 OG1 THR A 8 -11.434 -30.394 10.482 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.717 -29.767 12.052 1.00 0.00 C ATOM 0 H THR A 8 -7.791 -29.089 10.802 1.00 0.00 H new ATOM 0 HA THR A 8 -9.856 -29.338 8.620 1.00 0.00 H new ATOM 0 HB THR A 8 -9.506 -31.113 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.723 -31.096 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.038 -30.549 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.643 -29.611 12.156 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.243 -28.841 12.284 1.00 0.00 H new ATOM 106 N SER A 9 -9.549 -26.920 10.705 1.00 0.00 N ATOM 107 CA SER A 9 -10.106 -25.589 11.080 1.00 0.00 C ATOM 108 C SER A 9 -9.030 -24.517 10.895 1.00 0.00 C ATOM 109 O SER A 9 -7.892 -24.698 11.281 1.00 0.00 O ATOM 110 CB SER A 9 -10.488 -25.718 12.555 1.00 0.00 C ATOM 111 OG SER A 9 -9.374 -26.206 13.290 1.00 0.00 O ATOM 0 H SER A 9 -8.605 -27.102 11.047 1.00 0.00 H new ATOM 0 HA SER A 9 -10.961 -25.303 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.801 -24.750 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.335 -26.395 12.665 1.00 0.00 H new ATOM 0 HG SER A 9 -8.549 -25.817 12.931 1.00 0.00 H new ATOM 117 N TYR A 10 -9.371 -23.408 10.300 1.00 0.00 N ATOM 118 CA TYR A 10 -8.353 -22.339 10.087 1.00 0.00 C ATOM 119 C TYR A 10 -8.319 -21.374 11.274 1.00 0.00 C ATOM 120 O TYR A 10 -8.838 -21.653 12.337 1.00 0.00 O ATOM 121 CB TYR A 10 -8.796 -21.615 8.814 1.00 0.00 C ATOM 122 CG TYR A 10 -8.687 -22.550 7.629 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.635 -23.476 7.552 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.641 -22.492 6.607 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.542 -24.339 6.454 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.546 -23.355 5.509 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.497 -24.280 5.433 1.00 0.00 C ATOM 128 OH TYR A 10 -8.405 -25.132 4.351 1.00 0.00 O ATOM 0 H TYR A 10 -10.306 -23.195 9.953 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.347 -22.749 9.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.823 -21.267 8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.176 -20.733 8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.898 -23.523 8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.452 -21.781 6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.732 -25.051 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.282 -23.308 4.720 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.854 -25.906 4.590 1.00 0.00 H new ATOM 138 N ILE A 11 -7.697 -20.245 11.095 1.00 0.00 N ATOM 139 CA ILE A 11 -7.600 -19.246 12.197 1.00 0.00 C ATOM 140 C ILE A 11 -8.933 -18.517 12.382 1.00 0.00 C ATOM 141 O ILE A 11 -9.902 -18.787 11.701 1.00 0.00 O ATOM 142 CB ILE A 11 -6.522 -18.270 11.724 1.00 0.00 C ATOM 143 CG1 ILE A 11 -7.088 -17.436 10.563 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.290 -19.056 11.262 1.00 0.00 C ATOM 145 CD1 ILE A 11 -5.957 -16.935 9.658 1.00 0.00 C ATOM 0 H ILE A 11 -7.246 -19.967 10.223 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.361 -19.705 13.156 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.229 -17.607 12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.786 -18.038 9.982 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.649 -16.588 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.521 -18.361 10.925 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.905 -19.649 12.091 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.567 -19.717 10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.377 -16.347 8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.274 -16.314 10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.414 -17.787 9.249 1.00 0.00 H new ATOM 157 N SER A 12 -8.985 -17.586 13.297 1.00 0.00 N ATOM 158 CA SER A 12 -10.246 -16.829 13.528 1.00 0.00 C ATOM 159 C SER A 12 -10.112 -15.409 12.969 1.00 0.00 C ATOM 160 O SER A 12 -11.037 -14.622 13.012 1.00 0.00 O ATOM 161 CB SER A 12 -10.408 -16.791 15.046 1.00 0.00 C ATOM 162 OG SER A 12 -9.178 -17.132 15.667 1.00 0.00 O ATOM 0 H SER A 12 -8.204 -17.317 13.896 1.00 0.00 H new ATOM 0 HA SER A 12 -11.104 -17.288 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.723 -15.797 15.363 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.188 -17.487 15.356 1.00 0.00 H new ATOM 0 HG SER A 12 -9.285 -17.105 16.641 1.00 0.00 H new ATOM 168 N GLN A 13 -8.963 -15.079 12.444 1.00 0.00 N ATOM 169 CA GLN A 13 -8.760 -13.713 11.881 1.00 0.00 C ATOM 170 C GLN A 13 -7.583 -13.719 10.900 1.00 0.00 C ATOM 171 O GLN A 13 -6.867 -14.691 10.787 1.00 0.00 O ATOM 172 CB GLN A 13 -8.449 -12.824 13.089 1.00 0.00 C ATOM 173 CG GLN A 13 -7.439 -13.526 14.001 1.00 0.00 C ATOM 174 CD GLN A 13 -6.721 -12.483 14.861 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.557 -11.352 14.451 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.284 -12.817 16.045 1.00 0.00 N ATOM 0 H GLN A 13 -8.155 -15.698 12.381 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.632 -13.358 11.332 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.048 -11.867 12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.364 -12.611 13.641 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.948 -14.250 14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.716 -14.080 13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.421 -13.767 16.390 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.805 -12.128 16.625 1.00 0.00 H new ATOM 185 N SER A 14 -7.382 -12.642 10.190 1.00 0.00 N ATOM 186 CA SER A 14 -6.252 -12.585 9.213 1.00 0.00 C ATOM 187 C SER A 14 -5.012 -13.281 9.785 1.00 0.00 C ATOM 188 O SER A 14 -4.777 -13.268 10.977 1.00 0.00 O ATOM 189 CB SER A 14 -5.983 -11.095 9.008 1.00 0.00 C ATOM 190 OG SER A 14 -7.218 -10.396 8.945 1.00 0.00 O ATOM 0 H SER A 14 -7.951 -11.797 10.243 1.00 0.00 H new ATOM 0 HA SER A 14 -6.492 -13.091 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.375 -10.708 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.417 -10.940 8.089 1.00 0.00 H new ATOM 0 HG SER A 14 -7.046 -9.440 8.815 1.00 0.00 H new ATOM 196 N ILE A 15 -4.220 -13.892 8.946 1.00 0.00 N ATOM 197 CA ILE A 15 -2.999 -14.592 9.443 1.00 0.00 C ATOM 198 C ILE A 15 -1.945 -13.574 9.888 1.00 0.00 C ATOM 199 O ILE A 15 -1.770 -12.546 9.264 1.00 0.00 O ATOM 200 CB ILE A 15 -2.484 -15.393 8.247 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.415 -16.581 7.984 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.068 -15.900 8.543 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.212 -17.645 9.065 1.00 0.00 C ATOM 0 H ILE A 15 -4.365 -13.937 7.937 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.215 -15.227 10.302 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.461 -14.754 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.453 -16.248 7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.211 -17.004 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.700 -16.471 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.408 -15.051 8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.087 -16.538 9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.876 -18.488 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.177 -17.987 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.438 -17.219 10.042 1.00 0.00 H new ATOM 215 N PRO A 16 -1.275 -13.905 10.956 1.00 0.00 N ATOM 216 CA PRO A 16 -0.218 -13.022 11.499 1.00 0.00 C ATOM 217 C PRO A 16 1.074 -13.182 10.692 1.00 0.00 C ATOM 218 O PRO A 16 1.943 -13.953 11.048 1.00 0.00 O ATOM 219 CB PRO A 16 -0.019 -13.536 12.918 1.00 0.00 C ATOM 220 CG PRO A 16 -0.448 -14.970 12.878 1.00 0.00 C ATOM 221 CD PRO A 16 -1.443 -15.122 11.754 1.00 0.00 C ATOM 0 HA PRO A 16 -0.483 -11.965 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.022 -13.445 13.228 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.615 -12.966 13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.411 -15.622 12.718 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.897 -15.261 13.828 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.243 -16.016 11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.461 -15.212 12.133 1.00 0.00 H new ATOM 229 N CYS A 17 1.214 -12.460 9.616 1.00 0.00 N ATOM 230 CA CYS A 17 2.463 -12.579 8.806 1.00 0.00 C ATOM 231 C CYS A 17 3.667 -12.176 9.664 1.00 0.00 C ATOM 232 O CYS A 17 4.780 -12.621 9.451 1.00 0.00 O ATOM 233 CB CYS A 17 2.303 -11.595 7.641 1.00 0.00 C ATOM 234 SG CYS A 17 0.673 -11.764 6.869 1.00 0.00 S ATOM 0 H CYS A 17 0.525 -11.797 9.262 1.00 0.00 H new ATOM 0 HA CYS A 17 2.623 -13.597 8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.435 -10.575 8.001 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.081 -11.774 6.899 1.00 0.00 H new ATOM 239 N SER A 18 3.442 -11.329 10.635 1.00 0.00 N ATOM 240 CA SER A 18 4.556 -10.866 11.517 1.00 0.00 C ATOM 241 C SER A 18 5.110 -12.010 12.374 1.00 0.00 C ATOM 242 O SER A 18 6.012 -11.817 13.165 1.00 0.00 O ATOM 243 CB SER A 18 3.928 -9.794 12.408 1.00 0.00 C ATOM 244 OG SER A 18 4.886 -8.782 12.678 1.00 0.00 O ATOM 0 H SER A 18 2.528 -10.935 10.857 1.00 0.00 H new ATOM 0 HA SER A 18 5.397 -10.491 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.056 -9.362 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.581 -10.239 13.340 1.00 0.00 H new ATOM 0 HG SER A 18 4.483 -8.094 13.248 1.00 0.00 H new ATOM 250 N LEU A 19 4.589 -13.196 12.229 1.00 0.00 N ATOM 251 CA LEU A 19 5.104 -14.331 13.043 1.00 0.00 C ATOM 252 C LEU A 19 5.243 -15.581 12.174 1.00 0.00 C ATOM 253 O LEU A 19 5.029 -16.688 12.629 1.00 0.00 O ATOM 254 CB LEU A 19 4.054 -14.548 14.133 1.00 0.00 C ATOM 255 CG LEU A 19 4.485 -13.817 15.406 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.420 -12.787 15.785 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.648 -14.824 16.546 1.00 0.00 C ATOM 0 H LEU A 19 3.832 -13.428 11.585 1.00 0.00 H new ATOM 0 HA LEU A 19 6.088 -14.125 13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.085 -14.178 13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.937 -15.613 14.334 1.00 0.00 H new ATOM 0 HG LEU A 19 5.435 -13.313 15.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.725 -12.265 16.692 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.304 -12.068 14.974 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.470 -13.293 15.960 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.955 -14.301 17.452 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.699 -15.330 16.723 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.406 -15.559 16.276 1.00 0.00 H new ATOM 269 N MET A 20 5.601 -15.420 10.927 1.00 0.00 N ATOM 270 CA MET A 20 5.748 -16.618 10.048 1.00 0.00 C ATOM 271 C MET A 20 6.995 -16.494 9.171 1.00 0.00 C ATOM 272 O MET A 20 7.233 -15.483 8.542 1.00 0.00 O ATOM 273 CB MET A 20 4.499 -16.651 9.165 1.00 0.00 C ATOM 274 CG MET A 20 3.252 -16.268 9.970 1.00 0.00 C ATOM 275 SD MET A 20 2.674 -17.698 10.915 1.00 0.00 S ATOM 276 CE MET A 20 0.904 -17.420 10.674 1.00 0.00 C ATOM 0 H MET A 20 5.796 -14.523 10.483 1.00 0.00 H new ATOM 0 HA MET A 20 5.853 -17.527 10.640 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.622 -15.964 8.328 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.373 -17.648 8.743 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.482 -15.443 10.644 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.466 -15.922 9.299 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.425 -17.268 11.641 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.756 -16.537 10.053 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.463 -18.287 10.182 1.00 0.00 H new ATOM 286 N LYS A 21 7.786 -17.527 9.129 1.00 0.00 N ATOM 287 CA LYS A 21 9.023 -17.502 8.300 1.00 0.00 C ATOM 288 C LYS A 21 8.793 -18.208 6.958 1.00 0.00 C ATOM 289 O LYS A 21 9.340 -17.819 5.945 1.00 0.00 O ATOM 290 CB LYS A 21 10.063 -18.255 9.131 1.00 0.00 C ATOM 291 CG LYS A 21 11.257 -18.620 8.245 1.00 0.00 C ATOM 292 CD LYS A 21 11.807 -17.355 7.584 1.00 0.00 C ATOM 293 CE LYS A 21 13.279 -17.570 7.222 1.00 0.00 C ATOM 294 NZ LYS A 21 13.529 -16.671 6.056 1.00 0.00 N ATOM 0 H LYS A 21 7.628 -18.397 9.638 1.00 0.00 H new ATOM 0 HA LYS A 21 9.338 -16.486 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.392 -17.638 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.622 -19.157 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.034 -19.098 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.952 -19.338 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.231 -17.119 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.707 -16.505 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.931 -17.320 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.474 -18.611 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.519 -16.764 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.899 -16.936 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.343 -15.686 6.331 1.00 0.00 H new ATOM 308 N SER A 22 7.999 -19.251 6.936 1.00 0.00 N ATOM 309 CA SER A 22 7.765 -19.970 5.647 1.00 0.00 C ATOM 310 C SER A 22 6.421 -20.704 5.661 1.00 0.00 C ATOM 311 O SER A 22 6.192 -21.586 6.463 1.00 0.00 O ATOM 312 CB SER A 22 8.915 -20.971 5.544 1.00 0.00 C ATOM 313 OG SER A 22 8.839 -21.655 4.301 1.00 0.00 O ATOM 0 H SER A 22 7.508 -19.631 7.745 1.00 0.00 H new ATOM 0 HA SER A 22 7.732 -19.283 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.870 -20.453 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.865 -21.684 6.367 1.00 0.00 H new ATOM 0 HG SER A 22 9.578 -22.296 4.234 1.00 0.00 H new ATOM 319 N TYR A 23 5.536 -20.350 4.769 1.00 0.00 N ATOM 320 CA TYR A 23 4.207 -21.027 4.714 1.00 0.00 C ATOM 321 C TYR A 23 4.244 -22.166 3.689 1.00 0.00 C ATOM 322 O TYR A 23 5.128 -22.233 2.859 1.00 0.00 O ATOM 323 CB TYR A 23 3.236 -19.939 4.260 1.00 0.00 C ATOM 324 CG TYR A 23 3.529 -19.582 2.821 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.083 -20.418 1.789 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.250 -18.421 2.519 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.357 -20.090 0.456 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.524 -18.094 1.185 1.00 0.00 C ATOM 329 CZ TYR A 23 4.077 -18.928 0.153 1.00 0.00 C ATOM 330 OH TYR A 23 4.348 -18.607 -1.162 1.00 0.00 O ATOM 0 H TYR A 23 5.676 -19.618 4.073 1.00 0.00 H new ATOM 0 HA TYR A 23 3.920 -21.463 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.208 -20.288 4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.336 -19.058 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.528 -21.315 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.595 -17.777 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.013 -20.734 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.080 -17.198 0.952 1.00 0.00 H new ATOM 0 HH TYR A 23 4.855 -17.769 -1.196 1.00 0.00 H new ATOM 340 N PHE A 24 3.289 -23.058 3.730 1.00 0.00 N ATOM 341 CA PHE A 24 3.284 -24.175 2.743 1.00 0.00 C ATOM 342 C PHE A 24 1.848 -24.621 2.455 1.00 0.00 C ATOM 343 O PHE A 24 0.991 -24.583 3.314 1.00 0.00 O ATOM 344 CB PHE A 24 4.090 -25.301 3.400 1.00 0.00 C ATOM 345 CG PHE A 24 3.240 -26.036 4.412 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.333 -27.017 3.987 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.365 -25.741 5.774 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.554 -27.703 4.926 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.584 -26.427 6.714 1.00 0.00 C ATOM 350 CZ PHE A 24 1.679 -27.409 6.290 1.00 0.00 C ATOM 0 H PHE A 24 2.519 -23.061 4.399 1.00 0.00 H new ATOM 0 HA PHE A 24 3.717 -23.882 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.443 -25.996 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.973 -24.888 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.235 -27.243 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.063 -24.985 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.856 -28.459 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.680 -26.199 7.765 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.078 -27.939 7.014 1.00 0.00 H new ATOM 360 N GLU A 25 1.581 -25.048 1.251 1.00 0.00 N ATOM 361 CA GLU A 25 0.202 -25.499 0.912 1.00 0.00 C ATOM 362 C GLU A 25 0.074 -27.004 1.156 1.00 0.00 C ATOM 363 O GLU A 25 0.968 -27.769 0.855 1.00 0.00 O ATOM 364 CB GLU A 25 0.032 -25.178 -0.574 1.00 0.00 C ATOM 365 CG GLU A 25 0.146 -23.668 -0.785 1.00 0.00 C ATOM 366 CD GLU A 25 -0.939 -23.209 -1.760 1.00 0.00 C ATOM 367 OE1 GLU A 25 -2.097 -23.496 -1.506 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.594 -22.578 -2.746 1.00 0.00 O ATOM 0 H GLU A 25 2.257 -25.104 0.489 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.558 -25.009 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.792 -25.696 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.937 -25.533 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.039 -23.147 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.132 -23.418 -1.176 1.00 0.00 H new ATOM 375 N THR A 26 -1.029 -27.435 1.703 1.00 0.00 N ATOM 376 CA THR A 26 -1.204 -28.891 1.969 1.00 0.00 C ATOM 377 C THR A 26 -1.249 -29.667 0.650 1.00 0.00 C ATOM 378 O THR A 26 -1.473 -29.107 -0.404 1.00 0.00 O ATOM 379 CB THR A 26 -2.541 -29.003 2.705 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.587 -28.564 1.850 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.508 -28.135 3.963 1.00 0.00 C ATOM 0 H THR A 26 -1.814 -26.844 1.977 1.00 0.00 H new ATOM 0 HA THR A 26 -0.383 -29.306 2.553 1.00 0.00 H new ATOM 0 HB THR A 26 -2.715 -30.041 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.821 -29.281 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.461 -28.216 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.705 -28.474 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.335 -27.096 3.684 1.00 0.00 H new ATOM 389 N SER A 27 -1.037 -30.954 0.702 1.00 0.00 N ATOM 390 CA SER A 27 -1.069 -31.766 -0.549 1.00 0.00 C ATOM 391 C SER A 27 -2.503 -31.874 -1.074 1.00 0.00 C ATOM 392 O SER A 27 -3.448 -31.946 -0.314 1.00 0.00 O ATOM 393 CB SER A 27 -0.543 -33.141 -0.139 1.00 0.00 C ATOM 394 OG SER A 27 0.607 -32.984 0.681 1.00 0.00 O ATOM 0 H SER A 27 -0.843 -31.478 1.555 1.00 0.00 H new ATOM 0 HA SER A 27 -0.473 -31.322 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.314 -33.691 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.294 -33.726 -1.025 1.00 0.00 H new ATOM 0 HG SER A 27 0.943 -33.866 0.945 1.00 0.00 H new ATOM 400 N SER A 28 -2.674 -31.886 -2.368 1.00 0.00 N ATOM 401 CA SER A 28 -4.047 -31.991 -2.939 1.00 0.00 C ATOM 402 C SER A 28 -4.642 -33.368 -2.639 1.00 0.00 C ATOM 403 O SER A 28 -5.806 -33.622 -2.880 1.00 0.00 O ATOM 404 CB SER A 28 -3.866 -31.800 -4.445 1.00 0.00 C ATOM 405 OG SER A 28 -5.139 -31.700 -5.068 1.00 0.00 O ATOM 0 H SER A 28 -1.922 -31.828 -3.055 1.00 0.00 H new ATOM 0 HA SER A 28 -4.728 -31.253 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.282 -30.900 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.309 -32.638 -4.864 1.00 0.00 H new ATOM 0 HG SER A 28 -5.022 -31.576 -6.033 1.00 0.00 H new ATOM 411 N GLU A 29 -3.850 -34.257 -2.113 1.00 0.00 N ATOM 412 CA GLU A 29 -4.362 -35.621 -1.792 1.00 0.00 C ATOM 413 C GLU A 29 -5.259 -35.573 -0.552 1.00 0.00 C ATOM 414 O GLU A 29 -6.038 -36.471 -0.302 1.00 0.00 O ATOM 415 CB GLU A 29 -3.111 -36.457 -1.517 1.00 0.00 C ATOM 416 CG GLU A 29 -3.412 -37.932 -1.787 1.00 0.00 C ATOM 417 CD GLU A 29 -3.219 -38.228 -3.276 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.736 -37.471 -4.083 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.560 -39.207 -3.584 1.00 0.00 O ATOM 0 H GLU A 29 -2.867 -34.100 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.963 -36.038 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.290 -36.121 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.792 -36.324 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.753 -38.564 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.434 -38.166 -1.488 1.00 0.00 H new ATOM 426 N CYS A 30 -5.154 -34.531 0.227 1.00 0.00 N ATOM 427 CA CYS A 30 -5.999 -34.426 1.452 1.00 0.00 C ATOM 428 C CYS A 30 -7.449 -34.113 1.076 1.00 0.00 C ATOM 429 O CYS A 30 -7.717 -33.391 0.136 1.00 0.00 O ATOM 430 CB CYS A 30 -5.397 -33.271 2.250 1.00 0.00 C ATOM 431 SG CYS A 30 -4.563 -33.918 3.718 1.00 0.00 S ATOM 0 H CYS A 30 -4.520 -33.748 0.069 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.013 -35.356 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.690 -32.718 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.180 -32.571 2.543 1.00 0.00 H new ATOM 436 N SER A 31 -8.388 -34.647 1.811 1.00 0.00 N ATOM 437 CA SER A 31 -9.822 -34.375 1.505 1.00 0.00 C ATOM 438 C SER A 31 -10.123 -32.882 1.652 1.00 0.00 C ATOM 439 O SER A 31 -11.167 -32.404 1.257 1.00 0.00 O ATOM 440 CB SER A 31 -10.608 -35.185 2.536 1.00 0.00 C ATOM 441 OG SER A 31 -9.973 -36.438 2.738 1.00 0.00 O ATOM 0 H SER A 31 -8.224 -35.260 2.610 1.00 0.00 H new ATOM 0 HA SER A 31 -10.084 -34.651 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.665 -34.638 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.631 -35.335 2.193 1.00 0.00 H new ATOM 0 HG SER A 31 -10.476 -36.957 3.400 1.00 0.00 H new ATOM 447 N LYS A 32 -9.212 -32.147 2.219 1.00 0.00 N ATOM 448 CA LYS A 32 -9.432 -30.683 2.400 1.00 0.00 C ATOM 449 C LYS A 32 -8.093 -29.942 2.351 1.00 0.00 C ATOM 450 O LYS A 32 -7.211 -30.205 3.144 1.00 0.00 O ATOM 451 CB LYS A 32 -10.068 -30.548 3.783 1.00 0.00 C ATOM 452 CG LYS A 32 -11.057 -29.380 3.779 1.00 0.00 C ATOM 453 CD LYS A 32 -11.779 -29.319 5.126 1.00 0.00 C ATOM 454 CE LYS A 32 -13.072 -30.133 5.051 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.697 -29.979 6.394 1.00 0.00 N ATOM 0 H LYS A 32 -8.319 -32.496 2.568 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.062 -30.258 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.581 -31.472 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.297 -30.382 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.530 -28.444 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.779 -29.504 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.135 -29.711 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.003 -28.284 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.728 -29.761 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.868 -31.180 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.591 -30.509 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.052 -30.347 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.885 -28.973 6.576 1.00 0.00 H new ATOM 469 N PRO A 33 -7.985 -29.039 1.415 1.00 0.00 N ATOM 470 CA PRO A 33 -6.738 -28.253 1.260 1.00 0.00 C ATOM 471 C PRO A 33 -6.606 -27.226 2.388 1.00 0.00 C ATOM 472 O PRO A 33 -7.382 -27.213 3.323 1.00 0.00 O ATOM 473 CB PRO A 33 -6.915 -27.561 -0.087 1.00 0.00 C ATOM 474 CG PRO A 33 -8.395 -27.487 -0.294 1.00 0.00 C ATOM 475 CD PRO A 33 -9.003 -28.664 0.426 1.00 0.00 C ATOM 0 HA PRO A 33 -5.838 -28.867 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.467 -26.567 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.433 -28.124 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.792 -26.550 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.637 -27.518 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.945 -28.396 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.216 -29.485 -0.259 1.00 0.00 H new ATOM 483 N GLY A 34 -5.627 -26.370 2.307 1.00 0.00 N ATOM 484 CA GLY A 34 -5.441 -25.347 3.372 1.00 0.00 C ATOM 485 C GLY A 34 -3.979 -24.897 3.389 1.00 0.00 C ATOM 486 O GLY A 34 -3.078 -25.677 3.154 1.00 0.00 O ATOM 0 H GLY A 34 -4.947 -26.335 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.094 -24.494 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.718 -25.760 4.342 1.00 0.00 H new ATOM 490 N VAL A 35 -3.735 -23.648 3.669 1.00 0.00 N ATOM 491 CA VAL A 35 -2.330 -23.154 3.707 1.00 0.00 C ATOM 492 C VAL A 35 -1.886 -22.994 5.161 1.00 0.00 C ATOM 493 O VAL A 35 -2.432 -22.202 5.901 1.00 0.00 O ATOM 494 CB VAL A 35 -2.370 -21.800 2.988 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.197 -20.926 3.446 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.271 -22.027 1.479 1.00 0.00 C ATOM 0 H VAL A 35 -4.447 -22.947 3.873 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.625 -23.836 3.232 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.306 -21.296 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.235 -19.967 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.264 -20.762 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.257 -21.427 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.299 -21.067 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.335 -22.535 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.108 -22.641 1.148 1.00 0.00 H new ATOM 506 N ILE A 36 -0.902 -23.740 5.580 1.00 0.00 N ATOM 507 CA ILE A 36 -0.441 -23.616 6.989 1.00 0.00 C ATOM 508 C ILE A 36 0.843 -22.793 7.040 1.00 0.00 C ATOM 509 O ILE A 36 1.776 -23.034 6.305 1.00 0.00 O ATOM 510 CB ILE A 36 -0.194 -25.052 7.463 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.522 -25.679 7.894 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.777 -25.050 8.651 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.251 -26.968 8.674 1.00 0.00 C ATOM 0 H ILE A 36 -0.401 -24.424 5.013 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.169 -23.111 7.624 1.00 0.00 H new ATOM 0 HB ILE A 36 0.239 -25.630 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.083 -24.978 8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.136 -25.893 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.948 -26.074 8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.724 -24.604 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.350 -24.470 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.197 -27.414 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.708 -27.669 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.654 -26.740 9.557 1.00 0.00 H new ATOM 525 N PHE A 37 0.900 -21.824 7.904 1.00 0.00 N ATOM 526 CA PHE A 37 2.132 -20.992 7.991 1.00 0.00 C ATOM 527 C PHE A 37 3.084 -21.566 9.040 1.00 0.00 C ATOM 528 O PHE A 37 2.676 -21.952 10.117 1.00 0.00 O ATOM 529 CB PHE A 37 1.648 -19.606 8.416 1.00 0.00 C ATOM 530 CG PHE A 37 0.870 -18.970 7.288 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.478 -19.294 7.097 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.496 -18.052 6.436 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.200 -18.701 6.054 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.776 -17.459 5.394 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.573 -17.784 5.203 1.00 0.00 C ATOM 0 H PHE A 37 0.153 -21.571 8.551 1.00 0.00 H new ATOM 0 HA PHE A 37 2.675 -20.963 7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.020 -19.686 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.499 -18.979 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.962 -20.002 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.536 -17.802 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.240 -18.951 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.260 -16.751 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.130 -17.327 4.398 1.00 0.00 H new ATOM 545 N LEU A 38 4.353 -21.609 8.746 1.00 0.00 N ATOM 546 CA LEU A 38 5.320 -22.138 9.744 1.00 0.00 C ATOM 547 C LEU A 38 5.998 -20.958 10.431 1.00 0.00 C ATOM 548 O LEU A 38 6.577 -20.109 9.788 1.00 0.00 O ATOM 549 CB LEU A 38 6.325 -22.960 8.937 1.00 0.00 C ATOM 550 CG LEU A 38 6.475 -24.344 9.572 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.527 -25.405 8.471 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.765 -24.391 10.390 1.00 0.00 C ATOM 0 H LEU A 38 4.760 -21.302 7.862 1.00 0.00 H new ATOM 0 HA LEU A 38 4.854 -22.749 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.988 -23.056 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.289 -22.453 8.912 1.00 0.00 H new ATOM 0 HG LEU A 38 5.625 -24.540 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.634 -26.392 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.607 -25.370 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.378 -25.210 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.873 -25.377 10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.617 -24.196 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.727 -23.634 11.173 1.00 0.00 H new ATOM 564 N THR A 39 5.906 -20.879 11.728 1.00 0.00 N ATOM 565 CA THR A 39 6.518 -19.726 12.447 1.00 0.00 C ATOM 566 C THR A 39 7.960 -20.030 12.841 1.00 0.00 C ATOM 567 O THR A 39 8.322 -21.158 13.108 1.00 0.00 O ATOM 568 CB THR A 39 5.656 -19.538 13.699 1.00 0.00 C ATOM 569 OG1 THR A 39 5.980 -20.544 14.651 1.00 0.00 O ATOM 570 CG2 THR A 39 4.177 -19.645 13.328 1.00 0.00 C ATOM 0 H THR A 39 5.434 -21.561 12.322 1.00 0.00 H new ATOM 0 HA THR A 39 6.548 -18.832 11.824 1.00 0.00 H new ATOM 0 HB THR A 39 5.849 -18.554 14.126 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.150 -20.128 15.522 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.567 -19.511 14.221 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.928 -18.874 12.599 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.980 -20.627 12.898 1.00 0.00 H new ATOM 578 N LYS A 40 8.783 -19.022 12.880 1.00 0.00 N ATOM 579 CA LYS A 40 10.208 -19.232 13.259 1.00 0.00 C ATOM 580 C LYS A 40 10.296 -19.709 14.714 1.00 0.00 C ATOM 581 O LYS A 40 11.202 -20.426 15.089 1.00 0.00 O ATOM 582 CB LYS A 40 10.865 -17.859 13.101 1.00 0.00 C ATOM 583 CG LYS A 40 12.161 -18.000 12.302 1.00 0.00 C ATOM 584 CD LYS A 40 13.120 -16.871 12.686 1.00 0.00 C ATOM 585 CE LYS A 40 14.533 -17.218 12.215 1.00 0.00 C ATOM 586 NZ LYS A 40 15.311 -15.958 12.382 1.00 0.00 N ATOM 0 H LYS A 40 8.530 -18.057 12.665 1.00 0.00 H new ATOM 0 HA LYS A 40 10.697 -19.988 12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.185 -17.175 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.075 -17.430 14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.622 -18.967 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.948 -17.964 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.795 -15.934 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.111 -16.724 13.766 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.960 -18.028 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.534 -17.548 11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.294 -16.114 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.885 -15.207 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.298 -15.672 13.382 1.00 0.00 H new ATOM 600 N LYS A 41 9.360 -19.313 15.535 1.00 0.00 N ATOM 601 CA LYS A 41 9.388 -19.739 16.965 1.00 0.00 C ATOM 602 C LYS A 41 9.075 -21.233 17.084 1.00 0.00 C ATOM 603 O LYS A 41 9.221 -21.827 18.135 1.00 0.00 O ATOM 604 CB LYS A 41 8.303 -18.906 17.648 1.00 0.00 C ATOM 605 CG LYS A 41 8.782 -18.483 19.039 1.00 0.00 C ATOM 606 CD LYS A 41 8.703 -19.678 19.991 1.00 0.00 C ATOM 607 CE LYS A 41 8.187 -19.210 21.354 1.00 0.00 C ATOM 608 NZ LYS A 41 7.338 -20.333 21.850 1.00 0.00 N ATOM 0 H LYS A 41 8.577 -18.713 15.277 1.00 0.00 H new ATOM 0 HA LYS A 41 10.367 -19.586 17.420 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.074 -18.026 17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.383 -19.485 17.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.806 -18.114 18.986 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.167 -17.665 19.414 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.040 -20.440 19.581 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.686 -20.136 20.100 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.010 -19.005 22.039 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.611 -18.289 21.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.947 -20.087 22.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.559 -20.501 21.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.915 -21.194 21.933 1.00 0.00 H new ATOM 622 N GLY A 42 8.650 -21.843 16.017 1.00 0.00 N ATOM 623 CA GLY A 42 8.331 -23.300 16.064 1.00 0.00 C ATOM 624 C GLY A 42 6.823 -23.495 16.254 1.00 0.00 C ATOM 625 O GLY A 42 6.379 -24.043 17.243 1.00 0.00 O ATOM 0 H GLY A 42 8.508 -21.397 15.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.656 -23.783 15.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.874 -23.774 16.881 1.00 0.00 H new ATOM 629 N ARG A 43 6.033 -23.057 15.311 1.00 0.00 N ATOM 630 CA ARG A 43 4.555 -23.223 15.434 1.00 0.00 C ATOM 631 C ARG A 43 3.926 -23.361 14.044 1.00 0.00 C ATOM 632 O ARG A 43 4.601 -23.280 13.039 1.00 0.00 O ATOM 633 CB ARG A 43 4.065 -21.945 16.117 1.00 0.00 C ATOM 634 CG ARG A 43 2.911 -22.281 17.065 1.00 0.00 C ATOM 635 CD ARG A 43 2.954 -21.342 18.271 1.00 0.00 C ATOM 636 NE ARG A 43 2.787 -19.977 17.698 1.00 0.00 N ATOM 637 CZ ARG A 43 2.871 -18.927 18.468 1.00 0.00 C ATOM 638 NH1 ARG A 43 3.173 -19.062 19.731 1.00 0.00 N ATOM 639 NH2 ARG A 43 2.651 -17.738 17.976 1.00 0.00 N ATOM 0 H ARG A 43 6.347 -22.591 14.460 1.00 0.00 H new ATOM 0 HA ARG A 43 4.285 -24.115 16.000 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.881 -21.481 16.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.736 -21.224 15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.958 -22.180 16.546 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.986 -23.317 17.394 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.159 -21.573 18.980 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.898 -21.432 18.809 1.00 0.00 H new ATOM 0 HE ARG A 43 2.606 -19.863 16.701 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.344 -19.990 20.118 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.238 -18.239 20.331 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.414 -17.630 16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.717 -16.917 18.578 1.00 0.00 H new ATOM 653 N GLN A 44 2.638 -23.564 13.974 1.00 0.00 N ATOM 654 CA GLN A 44 1.981 -23.698 12.641 1.00 0.00 C ATOM 655 C GLN A 44 0.545 -23.175 12.691 1.00 0.00 C ATOM 656 O GLN A 44 -0.218 -23.497 13.581 1.00 0.00 O ATOM 657 CB GLN A 44 1.984 -25.192 12.325 1.00 0.00 C ATOM 658 CG GLN A 44 3.346 -25.796 12.674 1.00 0.00 C ATOM 659 CD GLN A 44 3.458 -27.200 12.072 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.542 -27.737 11.958 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.379 -27.824 11.680 1.00 0.00 N ATOM 0 H GLN A 44 2.015 -23.643 14.777 1.00 0.00 H new ATOM 0 HA GLN A 44 2.506 -23.120 11.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.199 -25.694 12.890 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.767 -25.349 11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.145 -25.161 12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.467 -25.843 13.756 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.468 -27.376 11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.448 -28.760 11.279 1.00 0.00 H new ATOM 670 N VAL A 45 0.169 -22.384 11.727 1.00 0.00 N ATOM 671 CA VAL A 45 -1.222 -21.848 11.692 1.00 0.00 C ATOM 672 C VAL A 45 -1.961 -22.448 10.495 1.00 0.00 C ATOM 673 O VAL A 45 -1.363 -23.077 9.647 1.00 0.00 O ATOM 674 CB VAL A 45 -1.066 -20.336 11.530 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.425 -19.660 11.718 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.084 -19.811 12.579 1.00 0.00 C ATOM 0 H VAL A 45 0.767 -22.083 10.957 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.793 -22.094 12.587 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.686 -20.114 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.314 -18.582 11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.124 -20.035 10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.806 -19.881 12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.028 -18.733 12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.464 -20.033 13.576 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.884 -20.293 12.444 1.00 0.00 H new ATOM 686 N CYS A 46 -3.249 -22.261 10.414 1.00 0.00 N ATOM 687 CA CYS A 46 -4.010 -22.834 9.263 1.00 0.00 C ATOM 688 C CYS A 46 -5.020 -21.815 8.743 1.00 0.00 C ATOM 689 O CYS A 46 -5.890 -21.372 9.462 1.00 0.00 O ATOM 690 CB CYS A 46 -4.732 -24.055 9.836 1.00 0.00 C ATOM 691 SG CYS A 46 -3.523 -25.198 10.544 1.00 0.00 S ATOM 0 H CYS A 46 -3.807 -21.739 11.090 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.361 -23.097 8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.444 -23.743 10.600 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.303 -24.553 9.053 1.00 0.00 H new ATOM 696 N ALA A 47 -4.910 -21.433 7.501 1.00 0.00 N ATOM 697 CA ALA A 47 -5.866 -20.432 6.947 1.00 0.00 C ATOM 698 C ALA A 47 -6.428 -20.901 5.604 1.00 0.00 C ATOM 699 O ALA A 47 -5.866 -21.751 4.942 1.00 0.00 O ATOM 700 CB ALA A 47 -5.039 -19.162 6.758 1.00 0.00 C ATOM 0 H ALA A 47 -4.203 -21.769 6.847 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.720 -20.279 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.672 -18.373 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.635 -18.844 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.219 -19.361 6.068 1.00 0.00 H new ATOM 706 N LYS A 48 -7.535 -20.343 5.196 1.00 0.00 N ATOM 707 CA LYS A 48 -8.140 -20.742 3.894 1.00 0.00 C ATOM 708 C LYS A 48 -7.103 -20.629 2.776 1.00 0.00 C ATOM 709 O LYS A 48 -5.973 -20.246 3.011 1.00 0.00 O ATOM 710 CB LYS A 48 -9.277 -19.745 3.668 1.00 0.00 C ATOM 711 CG LYS A 48 -10.620 -20.471 3.757 1.00 0.00 C ATOM 712 CD LYS A 48 -11.367 -20.007 5.008 1.00 0.00 C ATOM 713 CE LYS A 48 -11.768 -18.538 4.847 1.00 0.00 C ATOM 714 NZ LYS A 48 -11.713 -17.971 6.225 1.00 0.00 N ATOM 0 H LYS A 48 -8.048 -19.626 5.710 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.493 -21.773 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.231 -18.951 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.171 -19.273 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.216 -20.267 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.461 -21.549 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.253 -20.622 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.735 -20.128 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.087 -18.014 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.767 -18.446 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.976 -16.965 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.377 -18.485 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.748 -18.067 6.602 1.00 0.00 H new ATOM 728 N PRO A 49 -7.528 -20.967 1.591 1.00 0.00 N ATOM 729 CA PRO A 49 -6.632 -20.902 0.412 1.00 0.00 C ATOM 730 C PRO A 49 -6.410 -19.446 -0.006 1.00 0.00 C ATOM 731 O PRO A 49 -5.308 -19.039 -0.316 1.00 0.00 O ATOM 732 CB PRO A 49 -7.402 -21.663 -0.664 1.00 0.00 C ATOM 733 CG PRO A 49 -8.839 -21.558 -0.260 1.00 0.00 C ATOM 734 CD PRO A 49 -8.873 -21.437 1.242 1.00 0.00 C ATOM 0 HA PRO A 49 -5.643 -21.321 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.236 -21.228 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.082 -22.704 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.307 -20.691 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.396 -22.436 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.639 -20.733 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.097 -22.393 1.714 1.00 0.00 H new ATOM 742 N SER A 50 -7.451 -18.659 -0.012 1.00 0.00 N ATOM 743 CA SER A 50 -7.306 -17.228 -0.407 1.00 0.00 C ATOM 744 C SER A 50 -7.876 -16.320 0.686 1.00 0.00 C ATOM 745 O SER A 50 -8.486 -15.306 0.409 1.00 0.00 O ATOM 746 CB SER A 50 -8.114 -17.090 -1.698 1.00 0.00 C ATOM 747 OG SER A 50 -7.351 -17.582 -2.790 1.00 0.00 O ATOM 0 H SER A 50 -8.397 -18.945 0.240 1.00 0.00 H new ATOM 0 HA SER A 50 -6.264 -16.940 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.049 -17.644 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.376 -16.045 -1.865 1.00 0.00 H new ATOM 0 HG SER A 50 -7.870 -17.495 -3.617 1.00 0.00 H new ATOM 753 N GLY A 51 -7.684 -16.679 1.927 1.00 0.00 N ATOM 754 CA GLY A 51 -8.216 -15.839 3.038 1.00 0.00 C ATOM 755 C GLY A 51 -7.641 -14.426 2.931 1.00 0.00 C ATOM 756 O GLY A 51 -6.541 -14.236 2.449 1.00 0.00 O ATOM 0 H GLY A 51 -7.182 -17.517 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.304 -15.804 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.951 -16.279 3.999 1.00 0.00 H new ATOM 760 N PRO A 52 -8.409 -13.477 3.390 1.00 0.00 N ATOM 761 CA PRO A 52 -7.977 -12.059 3.351 1.00 0.00 C ATOM 762 C PRO A 52 -6.816 -11.837 4.321 1.00 0.00 C ATOM 763 O PRO A 52 -6.982 -11.875 5.525 1.00 0.00 O ATOM 764 CB PRO A 52 -9.221 -11.293 3.790 1.00 0.00 C ATOM 765 CG PRO A 52 -10.009 -12.278 4.593 1.00 0.00 C ATOM 766 CD PRO A 52 -9.740 -13.631 3.992 1.00 0.00 C ATOM 0 HA PRO A 52 -7.618 -11.740 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.958 -10.418 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.790 -10.936 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.710 -12.252 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.073 -12.043 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.751 -14.416 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.490 -13.896 3.247 1.00 0.00 H new ATOM 774 N GLY A 53 -5.640 -11.615 3.806 1.00 0.00 N ATOM 775 CA GLY A 53 -4.465 -11.402 4.693 1.00 0.00 C ATOM 776 C GLY A 53 -3.508 -12.586 4.544 1.00 0.00 C ATOM 777 O GLY A 53 -2.309 -12.449 4.672 1.00 0.00 O ATOM 0 H GLY A 53 -5.442 -11.572 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.959 -10.473 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.788 -11.307 5.730 1.00 0.00 H new ATOM 781 N VAL A 54 -4.033 -13.751 4.268 1.00 0.00 N ATOM 782 CA VAL A 54 -3.156 -14.945 4.103 1.00 0.00 C ATOM 783 C VAL A 54 -2.191 -14.725 2.942 1.00 0.00 C ATOM 784 O VAL A 54 -1.027 -15.065 3.015 1.00 0.00 O ATOM 785 CB VAL A 54 -4.110 -16.099 3.799 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.301 -17.352 3.457 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.986 -16.372 5.023 1.00 0.00 C ATOM 0 H VAL A 54 -5.031 -13.926 4.150 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.551 -15.143 4.988 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.744 -15.835 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.981 -18.176 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.678 -17.156 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.667 -17.618 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.667 -17.195 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.354 -16.637 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.562 -15.479 5.265 1.00 0.00 H new ATOM 797 N GLN A 55 -2.662 -14.149 1.872 1.00 0.00 N ATOM 798 CA GLN A 55 -1.761 -13.900 0.716 1.00 0.00 C ATOM 799 C GLN A 55 -0.726 -12.853 1.111 1.00 0.00 C ATOM 800 O GLN A 55 0.360 -12.804 0.573 1.00 0.00 O ATOM 801 CB GLN A 55 -2.668 -13.374 -0.398 1.00 0.00 C ATOM 802 CG GLN A 55 -2.490 -14.232 -1.654 1.00 0.00 C ATOM 803 CD GLN A 55 -1.451 -13.584 -2.571 1.00 0.00 C ATOM 804 OE1 GLN A 55 -1.572 -12.429 -2.926 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.426 -14.285 -2.973 1.00 0.00 N ATOM 0 H GLN A 55 -3.627 -13.842 1.749 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.223 -14.793 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.709 -13.397 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.425 -12.334 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.171 -15.237 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.441 -14.331 -2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.323 -15.255 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.272 -13.863 -3.585 1.00 0.00 H new ATOM 814 N ASP A 56 -1.050 -12.031 2.070 1.00 0.00 N ATOM 815 CA ASP A 56 -0.077 -11.006 2.526 1.00 0.00 C ATOM 816 C ASP A 56 1.072 -11.701 3.253 1.00 0.00 C ATOM 817 O ASP A 56 2.223 -11.342 3.108 1.00 0.00 O ATOM 818 CB ASP A 56 -0.860 -10.103 3.481 1.00 0.00 C ATOM 819 CG ASP A 56 -0.082 -8.807 3.716 1.00 0.00 C ATOM 820 OD1 ASP A 56 1.041 -8.890 4.184 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.622 -7.753 3.424 1.00 0.00 O ATOM 0 H ASP A 56 -1.947 -12.027 2.556 1.00 0.00 H new ATOM 0 HA ASP A 56 0.352 -10.431 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.841 -9.879 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.026 -10.616 4.428 1.00 0.00 H new ATOM 826 N CYS A 57 0.769 -12.714 4.026 1.00 0.00 N ATOM 827 CA CYS A 57 1.851 -13.442 4.744 1.00 0.00 C ATOM 828 C CYS A 57 2.768 -14.115 3.723 1.00 0.00 C ATOM 829 O CYS A 57 3.978 -14.036 3.810 1.00 0.00 O ATOM 830 CB CYS A 57 1.144 -14.500 5.595 1.00 0.00 C ATOM 831 SG CYS A 57 0.257 -13.734 6.979 1.00 0.00 S ATOM 0 H CYS A 57 -0.175 -13.064 4.188 1.00 0.00 H new ATOM 0 HA CYS A 57 2.459 -12.778 5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.444 -15.062 4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.875 -15.213 5.977 1.00 0.00 H new ATOM 836 N MET A 58 2.199 -14.776 2.749 1.00 0.00 N ATOM 837 CA MET A 58 3.043 -15.449 1.724 1.00 0.00 C ATOM 838 C MET A 58 3.730 -14.407 0.846 1.00 0.00 C ATOM 839 O MET A 58 4.782 -14.648 0.289 1.00 0.00 O ATOM 840 CB MET A 58 2.079 -16.294 0.899 1.00 0.00 C ATOM 841 CG MET A 58 1.144 -17.062 1.835 1.00 0.00 C ATOM 842 SD MET A 58 0.758 -18.677 1.116 1.00 0.00 S ATOM 843 CE MET A 58 0.058 -18.078 -0.441 1.00 0.00 C ATOM 0 H MET A 58 1.192 -14.877 2.621 1.00 0.00 H new ATOM 0 HA MET A 58 3.828 -16.058 2.173 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.499 -15.656 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.635 -16.990 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.614 -17.190 2.810 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.227 -16.495 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.546 -18.864 -0.894 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.566 -17.206 -0.247 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.865 -17.803 -1.121 1.00 0.00 H new ATOM 853 N LYS A 59 3.153 -13.243 0.727 1.00 0.00 N ATOM 854 CA LYS A 59 3.792 -12.190 -0.105 1.00 0.00 C ATOM 855 C LYS A 59 5.104 -11.783 0.556 1.00 0.00 C ATOM 856 O LYS A 59 6.096 -11.533 -0.097 1.00 0.00 O ATOM 857 CB LYS A 59 2.800 -11.027 -0.112 1.00 0.00 C ATOM 858 CG LYS A 59 3.321 -9.919 -1.028 1.00 0.00 C ATOM 859 CD LYS A 59 3.607 -8.666 -0.198 1.00 0.00 C ATOM 860 CE LYS A 59 4.031 -7.525 -1.125 1.00 0.00 C ATOM 861 NZ LYS A 59 2.875 -7.331 -2.046 1.00 0.00 N ATOM 0 H LYS A 59 2.272 -12.978 1.168 1.00 0.00 H new ATOM 0 HA LYS A 59 4.016 -12.518 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.824 -11.369 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.665 -10.644 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.228 -10.248 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.586 -9.696 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.719 -8.380 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.394 -8.870 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.244 -6.617 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.937 -7.779 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.840 -6.339 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.985 -7.949 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.992 -7.570 -1.551 1.00 0.00 H new ATOM 875 N LYS A 60 5.114 -11.738 1.858 1.00 0.00 N ATOM 876 CA LYS A 60 6.359 -11.375 2.583 1.00 0.00 C ATOM 877 C LYS A 60 7.383 -12.502 2.442 1.00 0.00 C ATOM 878 O LYS A 60 8.563 -12.265 2.283 1.00 0.00 O ATOM 879 CB LYS A 60 5.934 -11.216 4.043 1.00 0.00 C ATOM 880 CG LYS A 60 6.354 -9.835 4.549 1.00 0.00 C ATOM 881 CD LYS A 60 5.807 -8.760 3.608 1.00 0.00 C ATOM 882 CE LYS A 60 5.009 -7.735 4.416 1.00 0.00 C ATOM 883 NZ LYS A 60 3.688 -8.382 4.654 1.00 0.00 N ATOM 0 H LYS A 60 4.310 -11.938 2.452 1.00 0.00 H new ATOM 0 HA LYS A 60 6.821 -10.467 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.854 -11.335 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.393 -11.994 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.977 -9.676 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.441 -9.770 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.627 -8.268 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.171 -9.215 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.508 -7.497 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.898 -6.799 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.434 -8.293 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.963 -7.917 4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.744 -9.389 4.399 1.00 0.00 H new ATOM 897 N LEU A 61 6.939 -13.733 2.499 1.00 0.00 N ATOM 898 CA LEU A 61 7.893 -14.871 2.370 1.00 0.00 C ATOM 899 C LEU A 61 8.290 -15.073 0.905 1.00 0.00 C ATOM 900 O LEU A 61 9.017 -15.988 0.571 1.00 0.00 O ATOM 901 CB LEU A 61 7.133 -16.089 2.897 1.00 0.00 C ATOM 902 CG LEU A 61 6.635 -15.817 4.323 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.297 -17.145 5.002 1.00 0.00 C ATOM 904 CD2 LEU A 61 7.721 -15.100 5.131 1.00 0.00 C ATOM 0 H LEU A 61 5.962 -13.996 2.629 1.00 0.00 H new ATOM 0 HA LEU A 61 8.816 -14.698 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.289 -16.312 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.782 -16.965 2.890 1.00 0.00 H new ATOM 0 HG LEU A 61 5.747 -15.186 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.943 -16.956 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.519 -17.656 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.188 -17.771 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.358 -14.911 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.613 -15.725 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.966 -14.153 4.651 1.00 0.00 H new ATOM 916 N LYS A 62 7.820 -14.230 0.026 1.00 0.00 N ATOM 917 CA LYS A 62 8.175 -14.383 -1.415 1.00 0.00 C ATOM 918 C LYS A 62 8.299 -13.011 -2.082 1.00 0.00 C ATOM 919 O LYS A 62 7.320 -12.440 -2.520 1.00 0.00 O ATOM 920 CB LYS A 62 7.019 -15.176 -2.028 1.00 0.00 C ATOM 921 CG LYS A 62 7.575 -16.225 -2.996 1.00 0.00 C ATOM 922 CD LYS A 62 6.694 -16.288 -4.246 1.00 0.00 C ATOM 923 CE LYS A 62 7.217 -17.379 -5.184 1.00 0.00 C ATOM 924 NZ LYS A 62 6.037 -18.247 -5.460 1.00 0.00 N ATOM 0 H LYS A 62 7.207 -13.444 0.242 1.00 0.00 H new ATOM 0 HA LYS A 62 9.132 -14.887 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.440 -15.661 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.341 -14.503 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.599 -15.973 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.607 -17.201 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.662 -16.498 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.697 -15.324 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.616 -16.951 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.024 -17.946 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.316 -19.020 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.683 -18.646 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.288 -17.682 -5.908 1.00 0.00 H new ATOM 938 N PRO A 63 9.511 -12.528 -2.132 1.00 0.00 N ATOM 939 CA PRO A 63 9.782 -11.208 -2.752 1.00 0.00 C ATOM 940 C PRO A 63 9.698 -11.309 -4.278 1.00 0.00 C ATOM 941 O PRO A 63 10.694 -11.482 -4.953 1.00 0.00 O ATOM 942 CB PRO A 63 11.205 -10.890 -2.308 1.00 0.00 C ATOM 943 CG PRO A 63 11.835 -12.220 -2.032 1.00 0.00 C ATOM 944 CD PRO A 63 10.731 -13.162 -1.622 1.00 0.00 C ATOM 0 HA PRO A 63 9.067 -10.440 -2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.748 -10.350 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.209 -10.260 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.349 -12.593 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.581 -12.135 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.874 -14.154 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.694 -13.285 -0.540 1.00 0.00 H new ATOM 952 N TYR A 64 8.520 -11.201 -4.828 1.00 0.00 N ATOM 953 CA TYR A 64 8.380 -11.289 -6.310 1.00 0.00 C ATOM 954 C TYR A 64 6.981 -10.837 -6.736 1.00 0.00 C ATOM 955 O TYR A 64 6.396 -11.376 -7.654 1.00 0.00 O ATOM 956 CB TYR A 64 8.591 -12.767 -6.645 1.00 0.00 C ATOM 957 CG TYR A 64 9.875 -12.927 -7.425 1.00 0.00 C ATOM 958 CD1 TYR A 64 10.150 -12.078 -8.504 1.00 0.00 C ATOM 959 CD2 TYR A 64 10.792 -13.924 -7.067 1.00 0.00 C ATOM 960 CE1 TYR A 64 11.341 -12.226 -9.226 1.00 0.00 C ATOM 961 CE2 TYR A 64 11.983 -14.072 -7.789 1.00 0.00 C ATOM 962 CZ TYR A 64 12.257 -13.223 -8.869 1.00 0.00 C ATOM 963 OH TYR A 64 13.431 -13.368 -9.580 1.00 0.00 O ATOM 0 H TYR A 64 7.649 -11.056 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 64 9.094 -10.649 -6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.633 -13.356 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.750 -13.143 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.444 -11.309 -8.780 1.00 0.00 H new ATOM 0 HD2 TYR A 64 10.580 -14.578 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.553 -11.571 -10.058 1.00 0.00 H new ATOM 0 HE2 TYR A 64 12.690 -14.840 -7.513 1.00 0.00 H new ATOM 0 HH TYR A 64 13.954 -14.105 -9.201 1.00 0.00 H new ATOM 973 N SER A 65 6.439 -9.850 -6.076 1.00 0.00 N ATOM 974 CA SER A 65 5.081 -9.364 -6.446 1.00 0.00 C ATOM 975 C SER A 65 5.190 -8.159 -7.381 1.00 0.00 C ATOM 976 O SER A 65 5.214 -7.024 -6.948 1.00 0.00 O ATOM 977 CB SER A 65 4.430 -8.962 -5.123 1.00 0.00 C ATOM 978 OG SER A 65 4.880 -9.826 -4.091 1.00 0.00 O ATOM 0 H SER A 65 6.878 -9.360 -5.297 1.00 0.00 H new ATOM 0 HA SER A 65 4.499 -10.121 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.680 -7.929 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.345 -9.015 -5.209 1.00 0.00 H new ATOM 0 HG SER A 65 5.190 -9.292 -3.329 1.00 0.00 H new ATOM 984 N ILE A 66 5.259 -8.396 -8.663 1.00 0.00 N ATOM 985 CA ILE A 66 5.367 -7.265 -9.626 1.00 0.00 C ATOM 986 C ILE A 66 4.057 -7.106 -10.401 1.00 0.00 C ATOM 987 O ILE A 66 3.901 -7.778 -11.407 1.00 0.00 O ATOM 988 CB ILE A 66 6.507 -7.655 -10.569 1.00 0.00 C ATOM 989 CG1 ILE A 66 7.766 -7.956 -9.753 1.00 0.00 C ATOM 990 CG2 ILE A 66 6.789 -6.502 -11.534 1.00 0.00 C ATOM 991 CD1 ILE A 66 8.315 -6.655 -9.163 1.00 0.00 C ATOM 992 OXT ILE A 66 3.230 -6.316 -9.973 1.00 0.00 O ATOM 0 H ILE A 66 5.245 -9.325 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 66 5.559 -6.314 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 66 6.221 -8.541 -11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.535 -8.661 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.518 -8.427 -10.386 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.601 -6.780 -12.206 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.893 -6.288 -12.117 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.074 -5.615 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.212 -6.869 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.562 -5.965 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.563 -6.203 -8.516 1.00 0.00 H new TER 1004 ILE A 66