USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.508 K(o=0.56,f=-2.1!) USER MOD Set 2.2: A 13 THR OG1 : rot -46:sc= 0.0554 USER MOD Single : A 1 ARG N :NH3+ 144:sc= 1.35 (180deg=0.997) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00721 USER MOD Single : A 5 ASN : amide:sc=-0.00719 K(o=-0.0072,f=-1.9!) USER MOD Single : A 9 THR OG1 : rot 77:sc= 0.0196 USER MOD Single : A 10 LYS NZ :NH3+ -130:sc= 1.73 (180deg=0.108!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= -0.668! (180deg=-3.65!) USER MOD Single : A 25 ASN :FLIP amide:sc= -4.01! C(o=-4.7!,f=-4!) USER MOD Single : A 28 THR OG1 : rot -119:sc= 1.11 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 12:sc= 0.3 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 2.15 (180deg=2.07) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.122 22.923 66.218 1.00 0.00 N ATOM 2 CA ARG A 1 38.918 23.761 65.756 1.00 0.00 C ATOM 3 C ARG A 1 39.309 24.414 64.397 1.00 0.00 C ATOM 4 O ARG A 1 40.465 24.274 64.006 1.00 0.00 O ATOM 5 CB ARG A 1 38.555 24.810 66.812 1.00 0.00 C ATOM 6 CG ARG A 1 39.419 26.088 66.889 1.00 0.00 C ATOM 7 CD ARG A 1 38.731 27.205 67.704 1.00 0.00 C ATOM 8 NE ARG A 1 38.261 26.980 69.094 1.00 0.00 N ATOM 9 CZ ARG A 1 38.738 26.183 70.037 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.812 25.465 69.854 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.070 26.040 71.155 1.00 0.00 N ATOM 0 H1 ARG A 1 40.205 22.976 67.253 1.00 0.00 H new ATOM 0 H2 ARG A 1 39.986 21.932 65.932 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.990 23.293 65.782 1.00 0.00 H new ATOM 0 HA ARG A 1 38.032 23.140 65.626 1.00 0.00 H new ATOM 0 HB2 ARG A 1 37.523 25.114 66.640 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.586 24.326 67.788 1.00 0.00 H new ATOM 0 HG2 ARG A 1 40.381 25.848 67.343 1.00 0.00 H new ATOM 0 HG3 ARG A 1 39.623 26.448 65.881 1.00 0.00 H new ATOM 0 HD2 ARG A 1 39.425 28.045 67.737 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.865 27.530 67.127 1.00 0.00 H new ATOM 0 HE ARG A 1 37.442 27.525 69.365 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.309 25.508 68.964 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.155 24.860 70.601 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.192 26.540 71.292 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.428 25.428 71.888 1.00 0.00 H new ATOM 27 N ILE A 2 38.368 25.149 63.691 1.00 0.00 N ATOM 28 CA ILE A 2 38.691 25.627 62.331 1.00 0.00 C ATOM 29 C ILE A 2 38.044 27.040 62.089 1.00 0.00 C ATOM 30 O ILE A 2 36.875 27.272 62.395 1.00 0.00 O ATOM 31 CB ILE A 2 38.189 24.684 61.193 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.428 23.173 61.479 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.783 25.056 59.816 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.935 22.206 60.387 1.00 0.00 C ATOM 0 H ILE A 2 37.441 25.399 64.035 1.00 0.00 H new ATOM 0 HA ILE A 2 39.780 25.661 62.288 1.00 0.00 H new ATOM 0 HB ILE A 2 37.111 24.842 61.166 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.496 23.013 61.626 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.935 22.916 62.417 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.403 24.370 59.059 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.496 26.076 59.559 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.870 24.985 59.857 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.150 21.180 60.685 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.860 22.327 60.252 1.00 0.00 H new ATOM 0 HD13 ILE A 2 38.445 22.426 59.449 1.00 0.00 H new ATOM 46 N CYS A 3 38.851 28.007 61.499 1.00 0.00 N ATOM 47 CA CYS A 3 38.277 29.253 60.952 1.00 0.00 C ATOM 48 C CYS A 3 38.979 29.502 59.544 1.00 0.00 C ATOM 49 O CYS A 3 40.130 29.119 59.339 1.00 0.00 O ATOM 50 CB CYS A 3 38.386 30.537 61.799 1.00 0.00 C ATOM 51 SG CYS A 3 37.422 30.720 63.353 1.00 0.00 S ATOM 0 H CYS A 3 39.864 27.928 61.405 1.00 0.00 H new ATOM 0 HA CYS A 3 37.202 29.079 60.909 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.438 30.663 62.057 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.114 31.372 61.153 1.00 0.00 H new ATOM 56 N TYR A 4 38.269 30.189 58.555 1.00 0.00 N ATOM 57 CA TYR A 4 38.716 30.058 57.140 1.00 0.00 C ATOM 58 C TYR A 4 39.691 31.193 56.658 1.00 0.00 C ATOM 59 O TYR A 4 39.444 32.382 56.852 1.00 0.00 O ATOM 60 CB TYR A 4 37.476 30.063 56.228 1.00 0.00 C ATOM 61 CG TYR A 4 36.350 29.167 56.731 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.568 27.954 57.386 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.029 29.589 56.606 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.527 27.187 57.878 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.968 28.841 57.090 1.00 0.00 C ATOM 66 CZ TYR A 4 34.196 27.608 57.708 1.00 0.00 C ATOM 67 OH TYR A 4 33.186 26.803 58.141 1.00 0.00 O ATOM 0 H TYR A 4 37.456 30.785 58.713 1.00 0.00 H new ATOM 0 HA TYR A 4 39.274 29.123 57.082 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.105 31.084 56.138 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.768 29.740 55.229 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.581 27.603 57.513 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.825 30.530 56.116 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.737 26.262 58.394 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.959 29.213 56.989 1.00 0.00 H new ATOM 0 HH TYR A 4 32.324 27.231 57.955 1.00 0.00 H new ATOM 77 N ASN A 5 40.807 30.795 55.921 1.00 0.00 N ATOM 78 CA ASN A 5 41.878 31.762 55.577 1.00 0.00 C ATOM 79 C ASN A 5 42.199 31.801 54.052 1.00 0.00 C ATOM 80 O ASN A 5 43.114 32.517 53.641 1.00 0.00 O ATOM 81 CB ASN A 5 43.203 31.472 56.332 1.00 0.00 C ATOM 82 CG ASN A 5 43.931 30.260 55.738 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.366 29.292 55.267 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.280 30.342 55.776 1.00 0.00 N ATOM 0 H ASN A 5 40.962 29.847 55.578 1.00 0.00 H new ATOM 0 HA ASN A 5 41.477 32.728 55.886 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.851 32.347 56.283 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.991 31.291 57.386 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.848 29.581 55.404 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.730 31.165 56.177 1.00 0.00 H new ATOM 91 N HIS A 6 41.418 31.057 53.188 1.00 0.00 N ATOM 92 CA HIS A 6 41.779 30.755 51.820 1.00 0.00 C ATOM 93 C HIS A 6 41.678 31.984 50.869 1.00 0.00 C ATOM 94 O HIS A 6 42.375 32.068 49.868 1.00 0.00 O ATOM 95 CB HIS A 6 42.965 29.740 51.684 1.00 0.00 C ATOM 96 CG HIS A 6 44.333 30.239 51.293 1.00 0.00 C ATOM 97 ND1 HIS A 6 45.088 31.156 52.039 1.00 0.00 N ATOM 98 CD2 HIS A 6 45.188 29.801 50.322 1.00 0.00 C ATOM 99 CE1 HIS A 6 46.327 31.274 51.567 1.00 0.00 C ATOM 100 NE2 HIS A 6 46.401 30.447 50.511 1.00 0.00 N ATOM 0 H HIS A 6 40.518 30.663 53.462 1.00 0.00 H new ATOM 0 HA HIS A 6 40.997 30.136 51.381 1.00 0.00 H new ATOM 0 HB2 HIS A 6 43.066 29.227 52.641 1.00 0.00 H new ATOM 0 HB3 HIS A 6 42.670 28.990 50.950 1.00 0.00 H new ATOM 0 HD1 HIS A 6 44.731 31.670 52.845 1.00 0.00 H new ATOM 0 HD2 HIS A 6 44.961 29.083 49.548 1.00 0.00 H new ATOM 0 HE1 HIS A 6 47.113 31.906 51.954 1.00 0.00 H new ATOM 109 N LEU A 7 40.666 32.880 51.171 1.00 0.00 N ATOM 110 CA LEU A 7 40.234 34.049 50.412 1.00 0.00 C ATOM 111 C LEU A 7 41.331 35.148 50.144 1.00 0.00 C ATOM 112 O LEU A 7 42.533 34.954 50.292 1.00 0.00 O ATOM 113 CB LEU A 7 39.020 34.629 51.207 1.00 0.00 C ATOM 114 CG LEU A 7 37.638 34.063 50.810 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.572 34.529 51.814 1.00 0.00 C ATOM 116 CD2 LEU A 7 37.235 34.529 49.401 1.00 0.00 C ATOM 0 H LEU A 7 40.111 32.766 52.019 1.00 0.00 H new ATOM 0 HA LEU A 7 39.980 33.734 49.400 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.179 34.441 52.269 1.00 0.00 H new ATOM 0 HB3 LEU A 7 39.003 35.711 51.073 1.00 0.00 H new ATOM 0 HG LEU A 7 37.707 32.975 50.817 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.601 34.126 51.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.832 34.174 52.811 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.526 35.618 51.817 1.00 0.00 H new ATOM 0 HD21 LEU A 7 36.259 34.116 49.147 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.186 35.618 49.378 1.00 0.00 H new ATOM 0 HD23 LEU A 7 37.974 34.184 48.678 1.00 0.00 H new ATOM 128 N GLY A 8 40.826 36.322 49.602 1.00 0.00 N ATOM 129 CA GLY A 8 41.650 37.483 49.275 1.00 0.00 C ATOM 130 C GLY A 8 42.390 37.324 47.926 1.00 0.00 C ATOM 131 O GLY A 8 43.516 37.810 47.834 1.00 0.00 O ATOM 0 H GLY A 8 39.836 36.455 49.393 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.021 38.372 49.238 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.379 37.642 50.069 1.00 0.00 H new ATOM 135 N THR A 9 41.715 36.715 46.870 1.00 0.00 N ATOM 136 CA THR A 9 42.181 36.413 45.484 1.00 0.00 C ATOM 137 C THR A 9 42.732 34.959 45.412 1.00 0.00 C ATOM 138 O THR A 9 42.577 34.265 44.410 1.00 0.00 O ATOM 139 CB THR A 9 43.275 37.368 44.959 1.00 0.00 C ATOM 140 OG1 THR A 9 42.910 38.750 45.027 1.00 0.00 O ATOM 141 CG2 THR A 9 43.738 37.138 43.516 1.00 0.00 C ATOM 0 H THR A 9 40.752 36.405 46.998 1.00 0.00 H new ATOM 0 HA THR A 9 41.304 36.546 44.850 1.00 0.00 H new ATOM 0 HB THR A 9 44.090 37.125 45.641 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.990 39.064 45.952 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.506 37.867 43.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.146 36.132 43.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.891 37.251 42.840 1.00 0.00 H new ATOM 149 N LYS A 10 43.441 34.524 46.518 1.00 0.00 N ATOM 150 CA LYS A 10 44.025 33.187 46.634 1.00 0.00 C ATOM 151 C LYS A 10 42.879 32.090 46.655 1.00 0.00 C ATOM 152 O LYS A 10 41.732 32.379 46.995 1.00 0.00 O ATOM 153 CB LYS A 10 44.872 33.091 47.932 1.00 0.00 C ATOM 154 CG LYS A 10 46.065 34.066 48.170 1.00 0.00 C ATOM 155 CD LYS A 10 45.652 35.545 48.346 1.00 0.00 C ATOM 156 CE LYS A 10 46.640 36.444 49.093 1.00 0.00 C ATOM 157 NZ LYS A 10 46.041 37.861 49.195 1.00 0.00 N ATOM 0 H LYS A 10 43.607 35.111 47.336 1.00 0.00 H new ATOM 0 HA LYS A 10 44.669 33.008 45.773 1.00 0.00 H new ATOM 0 HB2 LYS A 10 44.188 33.208 48.772 1.00 0.00 H new ATOM 0 HB3 LYS A 10 45.269 32.077 47.983 1.00 0.00 H new ATOM 0 HG2 LYS A 10 46.610 33.745 49.058 1.00 0.00 H new ATOM 0 HG3 LYS A 10 46.754 33.991 47.329 1.00 0.00 H new ATOM 0 HD2 LYS A 10 45.482 35.972 47.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.699 35.573 48.874 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.836 36.044 50.088 1.00 0.00 H new ATOM 0 HE3 LYS A 10 47.595 36.474 48.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 46.744 38.559 48.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.194 37.924 48.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 45.780 38.057 50.182 1.00 0.00 H new ATOM 171 N PRO A 11 43.229 30.778 46.315 1.00 0.00 N ATOM 172 CA PRO A 11 42.180 29.737 46.221 1.00 0.00 C ATOM 173 C PRO A 11 41.644 29.239 47.607 1.00 0.00 C ATOM 174 O PRO A 11 42.355 29.279 48.606 1.00 0.00 O ATOM 175 CB PRO A 11 42.857 28.537 45.507 1.00 0.00 C ATOM 176 CG PRO A 11 44.353 28.795 45.746 1.00 0.00 C ATOM 177 CD PRO A 11 44.423 30.317 45.614 1.00 0.00 C ATOM 0 HA PRO A 11 41.319 30.153 45.698 1.00 0.00 H new ATOM 0 HB2 PRO A 11 42.539 27.584 45.929 1.00 0.00 H new ATOM 0 HB3 PRO A 11 42.616 28.511 44.444 1.00 0.00 H new ATOM 0 HG2 PRO A 11 44.677 28.453 46.729 1.00 0.00 H new ATOM 0 HG3 PRO A 11 44.979 28.290 45.011 1.00 0.00 H new ATOM 0 HD2 PRO A 11 45.332 30.717 46.064 1.00 0.00 H new ATOM 0 HD3 PRO A 11 44.420 30.629 44.570 1.00 0.00 H new ATOM 185 N PRO A 12 40.390 28.626 47.614 1.00 0.00 N ATOM 186 CA PRO A 12 39.764 28.119 48.852 1.00 0.00 C ATOM 187 C PRO A 12 40.645 27.122 49.683 1.00 0.00 C ATOM 188 O PRO A 12 41.306 26.224 49.167 1.00 0.00 O ATOM 189 CB PRO A 12 38.480 27.431 48.362 1.00 0.00 C ATOM 190 CG PRO A 12 38.031 28.412 47.270 1.00 0.00 C ATOM 191 CD PRO A 12 39.360 28.739 46.573 1.00 0.00 C ATOM 0 HA PRO A 12 39.597 28.941 49.549 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.670 26.432 47.969 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.739 27.326 49.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.311 27.961 46.587 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.559 29.301 47.688 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.553 28.047 45.753 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.342 29.742 46.146 1.00 0.00 H new ATOM 199 N THR A 13 40.594 27.314 51.061 1.00 0.00 N ATOM 200 CA THR A 13 41.342 26.523 52.051 1.00 0.00 C ATOM 201 C THR A 13 41.111 27.170 53.481 1.00 0.00 C ATOM 202 O THR A 13 40.685 28.319 53.637 1.00 0.00 O ATOM 203 CB THR A 13 42.891 26.267 51.900 1.00 0.00 C ATOM 204 OG1 THR A 13 43.513 26.785 50.725 1.00 0.00 O ATOM 205 CG2 THR A 13 43.270 24.782 52.035 1.00 0.00 C ATOM 0 H THR A 13 40.017 28.038 51.488 1.00 0.00 H new ATOM 0 HA THR A 13 40.926 25.530 51.882 1.00 0.00 H new ATOM 0 HB THR A 13 43.284 26.843 52.738 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.963 26.572 49.943 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.348 24.670 51.922 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.968 24.417 53.017 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.762 24.205 51.262 1.00 0.00 H new ATOM 213 N THR A 14 41.451 26.366 54.556 1.00 0.00 N ATOM 214 CA THR A 14 41.102 26.796 55.909 1.00 0.00 C ATOM 215 C THR A 14 42.246 26.585 56.929 1.00 0.00 C ATOM 216 O THR A 14 43.099 25.712 56.781 1.00 0.00 O ATOM 217 CB THR A 14 39.844 26.050 56.377 1.00 0.00 C ATOM 218 OG1 THR A 14 40.022 24.649 56.608 1.00 0.00 O ATOM 219 CG2 THR A 14 38.704 26.198 55.348 1.00 0.00 C ATOM 0 H THR A 14 41.938 25.472 54.490 1.00 0.00 H new ATOM 0 HA THR A 14 40.916 27.869 55.864 1.00 0.00 H new ATOM 0 HB THR A 14 39.603 26.518 57.331 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.174 24.256 56.904 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.823 25.661 55.701 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.460 27.253 55.224 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.022 25.784 54.391 1.00 0.00 H new ATOM 227 N GLU A 15 42.212 27.426 58.028 1.00 0.00 N ATOM 228 CA GLU A 15 43.255 27.357 59.055 1.00 0.00 C ATOM 229 C GLU A 15 42.681 26.360 60.110 1.00 0.00 C ATOM 230 O GLU A 15 41.892 26.689 60.997 1.00 0.00 O ATOM 231 CB GLU A 15 43.662 28.732 59.615 1.00 0.00 C ATOM 232 CG GLU A 15 45.019 28.698 60.349 1.00 0.00 C ATOM 233 CD GLU A 15 45.505 30.080 60.766 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.965 31.135 60.525 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.646 29.999 61.451 1.00 0.00 O ATOM 0 H GLU A 15 41.489 28.126 58.197 1.00 0.00 H new ATOM 0 HA GLU A 15 44.207 27.005 58.659 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.713 29.452 58.798 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.891 29.083 60.301 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.932 28.067 61.234 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.765 28.237 59.701 1.00 0.00 H new ATOM 243 N THR A 16 43.123 25.056 59.941 1.00 0.00 N ATOM 244 CA THR A 16 42.698 23.920 60.783 1.00 0.00 C ATOM 245 C THR A 16 43.748 23.909 61.943 1.00 0.00 C ATOM 246 O THR A 16 44.906 23.526 61.784 1.00 0.00 O ATOM 247 CB THR A 16 42.646 22.563 60.032 1.00 0.00 C ATOM 248 OG1 THR A 16 41.717 22.669 58.945 1.00 0.00 O ATOM 249 CG2 THR A 16 42.247 21.405 60.959 1.00 0.00 C ATOM 0 H THR A 16 43.783 24.790 59.211 1.00 0.00 H new ATOM 0 HA THR A 16 41.672 24.044 61.130 1.00 0.00 H new ATOM 0 HB THR A 16 43.645 22.341 59.656 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.679 21.816 58.463 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.224 20.475 60.390 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.974 21.318 61.767 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.260 21.599 61.379 1.00 0.00 H new ATOM 257 N CYS A 17 43.293 24.366 63.169 1.00 0.00 N ATOM 258 CA CYS A 17 44.188 24.673 64.294 1.00 0.00 C ATOM 259 C CYS A 17 43.817 23.893 65.602 1.00 0.00 C ATOM 260 O CYS A 17 42.662 23.535 65.842 1.00 0.00 O ATOM 261 CB CYS A 17 44.073 26.173 64.568 1.00 0.00 C ATOM 262 SG CYS A 17 45.543 27.003 65.231 1.00 0.00 S ATOM 0 H CYS A 17 42.306 24.521 63.376 1.00 0.00 H new ATOM 0 HA CYS A 17 45.199 24.372 64.021 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.796 26.667 63.637 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.252 26.328 65.268 1.00 0.00 H new ATOM 267 N GLN A 18 44.852 23.713 66.501 1.00 0.00 N ATOM 268 CA GLN A 18 44.670 23.085 67.815 1.00 0.00 C ATOM 269 C GLN A 18 44.534 24.159 68.960 1.00 0.00 C ATOM 270 O GLN A 18 44.389 23.754 70.113 1.00 0.00 O ATOM 271 CB GLN A 18 45.770 22.058 68.181 1.00 0.00 C ATOM 272 CG GLN A 18 45.919 20.852 67.221 1.00 0.00 C ATOM 273 CD GLN A 18 46.413 19.614 67.976 1.00 0.00 C ATOM 274 OE1 GLN A 18 45.657 18.769 68.418 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.754 19.516 68.117 1.00 0.00 N ATOM 0 H GLN A 18 45.812 24.003 66.314 1.00 0.00 H new ATOM 0 HA GLN A 18 43.737 22.528 67.731 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.726 22.580 68.228 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.565 21.677 69.182 1.00 0.00 H new ATOM 0 HG2 GLN A 18 44.961 20.637 66.748 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.619 21.101 66.423 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.361 20.241 67.735 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.158 18.717 68.605 1.00 0.00 H new ATOM 284 N GLU A 19 44.542 25.527 68.692 1.00 0.00 N ATOM 285 CA GLU A 19 44.563 26.514 69.788 1.00 0.00 C ATOM 286 C GLU A 19 43.126 27.014 70.200 1.00 0.00 C ATOM 287 O GLU A 19 42.180 26.987 69.418 1.00 0.00 O ATOM 288 CB GLU A 19 45.439 27.730 69.407 1.00 0.00 C ATOM 289 CG GLU A 19 46.868 27.437 68.881 1.00 0.00 C ATOM 290 CD GLU A 19 47.726 26.713 69.907 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.990 25.526 69.905 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.202 27.554 70.826 1.00 0.00 O ATOM 0 H GLU A 19 44.534 25.930 67.755 1.00 0.00 H new ATOM 0 HA GLU A 19 44.988 26.000 70.650 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.909 28.302 68.645 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.527 28.371 70.284 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.802 26.834 67.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.350 28.375 68.605 1.00 0.00 H new ATOM 300 N ASP A 20 43.069 27.550 71.478 1.00 0.00 N ATOM 301 CA ASP A 20 41.900 27.930 72.289 1.00 0.00 C ATOM 302 C ASP A 20 40.800 28.763 71.532 1.00 0.00 C ATOM 303 O ASP A 20 39.609 28.610 71.804 1.00 0.00 O ATOM 304 CB ASP A 20 41.361 26.872 73.274 1.00 0.00 C ATOM 305 CG ASP A 20 40.783 25.543 72.737 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.468 24.938 71.910 1.00 0.00 O ATOM 307 OD2 ASP A 20 39.669 25.234 73.173 1.00 0.00 O ATOM 0 H ASP A 20 43.933 27.733 71.989 1.00 0.00 H new ATOM 0 HA ASP A 20 42.343 28.652 72.974 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.173 26.621 73.957 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.581 27.349 73.868 1.00 0.00 H new ATOM 312 N SER A 21 41.218 29.779 70.690 1.00 0.00 N ATOM 313 CA SER A 21 40.263 30.707 70.073 1.00 0.00 C ATOM 314 C SER A 21 40.618 31.050 68.596 1.00 0.00 C ATOM 315 O SER A 21 41.772 31.016 68.165 1.00 0.00 O ATOM 316 CB SER A 21 40.176 32.055 70.855 1.00 0.00 C ATOM 317 OG SER A 21 39.510 31.956 72.109 1.00 0.00 O ATOM 0 H SER A 21 42.193 29.951 70.444 1.00 0.00 H new ATOM 0 HA SER A 21 39.308 30.183 70.104 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.185 32.433 71.020 1.00 0.00 H new ATOM 0 HB3 SER A 21 39.658 32.789 70.237 1.00 0.00 H new ATOM 0 HG SER A 21 39.495 32.835 72.542 1.00 0.00 H new ATOM 323 N CYS A 22 39.534 31.434 67.821 1.00 0.00 N ATOM 324 CA CYS A 22 39.744 31.898 66.457 1.00 0.00 C ATOM 325 C CYS A 22 38.841 33.126 66.105 1.00 0.00 C ATOM 326 O CYS A 22 37.739 33.318 66.614 1.00 0.00 O ATOM 327 CB CYS A 22 39.768 30.750 65.402 1.00 0.00 C ATOM 328 SG CYS A 22 38.331 29.744 64.891 1.00 0.00 S ATOM 0 H CYS A 22 38.562 31.421 68.131 1.00 0.00 H new ATOM 0 HA CYS A 22 40.761 32.287 66.406 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.157 31.197 64.487 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.517 30.040 65.754 1.00 0.00 H new ATOM 333 N TYR A 23 39.420 34.003 65.202 1.00 0.00 N ATOM 334 CA TYR A 23 38.942 35.375 64.975 1.00 0.00 C ATOM 335 C TYR A 23 38.453 35.692 63.539 1.00 0.00 C ATOM 336 O TYR A 23 38.713 34.957 62.589 1.00 0.00 O ATOM 337 CB TYR A 23 40.112 36.372 65.311 1.00 0.00 C ATOM 338 CG TYR A 23 41.327 36.219 64.415 1.00 0.00 C ATOM 339 CD1 TYR A 23 41.373 36.784 63.142 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.456 35.520 64.839 1.00 0.00 C ATOM 341 CE1 TYR A 23 42.481 36.661 62.316 1.00 0.00 C ATOM 342 CE2 TYR A 23 43.576 35.390 64.033 1.00 0.00 C ATOM 343 CZ TYR A 23 43.603 35.952 62.748 1.00 0.00 C ATOM 344 OH TYR A 23 44.714 35.767 61.979 1.00 0.00 O ATOM 0 H TYR A 23 40.225 33.754 64.627 1.00 0.00 H new ATOM 0 HA TYR A 23 38.071 35.485 65.621 1.00 0.00 H new ATOM 0 HB2 TYR A 23 39.740 37.393 65.231 1.00 0.00 H new ATOM 0 HB3 TYR A 23 40.416 36.224 66.347 1.00 0.00 H new ATOM 0 HD1 TYR A 23 40.516 37.337 62.786 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.458 35.068 65.820 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.475 37.115 61.336 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.437 34.850 64.398 1.00 0.00 H new ATOM 0 HH TYR A 23 45.375 35.244 62.479 1.00 0.00 H new ATOM 354 N LYS A 24 37.755 36.885 63.443 1.00 0.00 N ATOM 355 CA LYS A 24 37.137 37.389 62.206 1.00 0.00 C ATOM 356 C LYS A 24 37.808 38.782 61.919 1.00 0.00 C ATOM 357 O LYS A 24 37.635 39.767 62.634 1.00 0.00 O ATOM 358 CB LYS A 24 35.608 37.501 62.333 1.00 0.00 C ATOM 359 CG LYS A 24 34.910 36.291 62.993 1.00 0.00 C ATOM 360 CD LYS A 24 35.079 34.945 62.261 1.00 0.00 C ATOM 361 CE LYS A 24 34.853 33.733 63.190 1.00 0.00 C ATOM 362 NZ LYS A 24 33.868 32.730 62.604 1.00 0.00 N ATOM 0 H LYS A 24 37.620 37.507 64.240 1.00 0.00 H new ATOM 0 HA LYS A 24 37.302 36.700 61.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.372 38.395 62.911 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.187 37.644 61.338 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.292 36.183 64.008 1.00 0.00 H new ATOM 0 HG3 LYS A 24 33.845 36.509 63.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.376 34.897 61.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.081 34.890 61.835 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.806 33.237 63.375 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.483 34.081 64.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.305 32.308 63.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.235 33.215 61.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.390 31.981 62.105 1.00 0.00 H new ATOM 376 N ASN A 25 38.587 38.842 60.783 1.00 0.00 N ATOM 377 CA ASN A 25 39.419 39.982 60.352 1.00 0.00 C ATOM 378 C ASN A 25 38.723 40.423 59.011 1.00 0.00 C ATOM 379 O ASN A 25 38.652 39.687 58.027 1.00 0.00 O ATOM 380 CB ASN A 25 40.864 39.540 60.215 1.00 0.00 C ATOM 381 CG ASN A 25 41.831 40.695 60.262 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.036 41.287 59.077 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 42.355 41.094 61.283 1.00 0.00 N flip ATOM 0 H ASN A 25 38.641 38.059 60.132 1.00 0.00 H new ATOM 0 HA ASN A 25 39.476 40.820 61.047 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.103 38.839 61.014 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.989 39.005 59.274 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.176 40.619 62.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.974 41.904 61.256 1.00 0.00 H new ATOM 390 N ILE A 26 38.186 41.709 59.020 1.00 0.00 N ATOM 391 CA ILE A 26 37.020 42.067 58.161 1.00 0.00 C ATOM 392 C ILE A 26 37.286 43.122 57.021 1.00 0.00 C ATOM 393 O ILE A 26 36.528 43.233 56.062 1.00 0.00 O ATOM 394 CB ILE A 26 35.866 42.552 59.094 1.00 0.00 C ATOM 395 CG1 ILE A 26 35.838 44.066 59.464 1.00 0.00 C ATOM 396 CG2 ILE A 26 35.723 41.706 60.387 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.791 44.570 60.564 1.00 0.00 C ATOM 0 H ILE A 26 38.540 42.473 59.596 1.00 0.00 H new ATOM 0 HA ILE A 26 36.762 41.162 57.611 1.00 0.00 H new ATOM 0 HB ILE A 26 35.004 42.394 58.446 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.049 44.633 58.557 1.00 0.00 H new ATOM 0 HG13 ILE A 26 34.821 44.315 59.767 1.00 0.00 H new ATOM 0 HG21 ILE A 26 34.903 42.097 60.989 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.516 40.669 60.122 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.649 41.756 60.959 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.651 45.642 60.704 1.00 0.00 H new ATOM 0 HD12 ILE A 26 36.575 44.051 61.498 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.822 44.374 60.270 1.00 0.00 H new ATOM 409 N TRP A 27 38.388 43.917 57.210 1.00 0.00 N ATOM 410 CA TRP A 27 39.025 45.025 56.490 1.00 0.00 C ATOM 411 C TRP A 27 40.098 44.449 55.459 1.00 0.00 C ATOM 412 O TRP A 27 39.747 43.910 54.415 1.00 0.00 O ATOM 413 CB TRP A 27 39.671 45.974 57.572 1.00 0.00 C ATOM 414 CG TRP A 27 40.251 45.273 58.783 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.560 43.897 58.891 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.442 45.743 60.078 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.798 43.489 60.168 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.774 44.663 60.902 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.303 47.019 60.669 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.002 44.746 62.235 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.540 47.148 62.029 1.00 0.00 C ATOM 422 CH2 TRP A 27 40.894 46.023 62.806 1.00 0.00 C ATOM 0 H TRP A 27 38.942 43.736 58.047 1.00 0.00 H new ATOM 0 HA TRP A 27 38.307 45.596 55.902 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.461 46.556 57.096 1.00 0.00 H new ATOM 0 HB3 TRP A 27 38.914 46.681 57.910 1.00 0.00 H new ATOM 0 HD1 TRP A 27 40.603 43.233 58.041 1.00 0.00 H new ATOM 0 HE1 TRP A 27 40.957 42.540 60.505 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.019 47.875 60.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.253 43.877 62.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.453 48.117 62.498 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.086 46.148 63.861 1.00 0.00 H new ATOM 433 N THR A 28 41.449 44.601 55.774 1.00 0.00 N ATOM 434 CA THR A 28 42.596 44.093 55.002 1.00 0.00 C ATOM 435 C THR A 28 43.018 45.004 53.775 1.00 0.00 C ATOM 436 O THR A 28 42.232 45.792 53.257 1.00 0.00 O ATOM 437 CB THR A 28 42.532 42.610 54.526 1.00 0.00 C ATOM 438 OG1 THR A 28 43.853 42.186 54.212 1.00 0.00 O ATOM 439 CG2 THR A 28 41.863 41.595 55.470 1.00 0.00 C ATOM 0 H THR A 28 41.745 45.105 56.610 1.00 0.00 H new ATOM 0 HA THR A 28 43.365 44.137 55.773 1.00 0.00 H new ATOM 0 HB THR A 28 41.869 42.618 53.661 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.900 41.937 53.265 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.887 40.605 55.016 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.399 41.572 56.419 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.828 41.888 55.645 1.00 0.00 H new ATOM 447 N PHE A 29 44.332 44.850 53.327 1.00 0.00 N ATOM 448 CA PHE A 29 44.836 45.483 52.107 1.00 0.00 C ATOM 449 C PHE A 29 44.289 44.693 50.881 1.00 0.00 C ATOM 450 O PHE A 29 43.800 45.308 49.934 1.00 0.00 O ATOM 451 CB PHE A 29 46.365 45.619 51.986 1.00 0.00 C ATOM 452 CG PHE A 29 46.957 46.612 52.971 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.984 47.981 52.681 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.540 46.187 54.169 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.579 48.898 53.549 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.140 47.090 55.048 1.00 0.00 C ATOM 457 CZ PHE A 29 48.168 48.455 54.739 1.00 0.00 C ATOM 0 H PHE A 29 45.028 44.288 53.817 1.00 0.00 H new ATOM 0 HA PHE A 29 44.477 46.511 52.146 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.824 44.643 52.144 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.617 45.929 50.972 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.534 48.336 51.765 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.526 45.137 54.420 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.585 49.949 53.302 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.583 46.735 55.967 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.638 49.158 55.411 1.00 0.00 H new ATOM 467 N ASP A 30 44.390 43.309 50.911 1.00 0.00 N ATOM 468 CA ASP A 30 43.732 42.407 49.965 1.00 0.00 C ATOM 469 C ASP A 30 42.235 42.361 50.459 1.00 0.00 C ATOM 470 O ASP A 30 41.769 41.340 50.943 1.00 0.00 O ATOM 471 CB ASP A 30 44.424 41.026 49.853 1.00 0.00 C ATOM 472 CG ASP A 30 44.586 40.152 51.129 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.706 40.761 52.192 1.00 0.00 O ATOM 474 OD2 ASP A 30 44.622 38.928 50.947 1.00 0.00 O ATOM 0 H ASP A 30 44.943 42.816 51.612 1.00 0.00 H new ATOM 0 HA ASP A 30 43.793 42.760 48.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 43.868 40.439 49.122 1.00 0.00 H new ATOM 0 HB3 ASP A 30 45.419 41.190 49.440 1.00 0.00 H new ATOM 479 N ASN A 31 41.511 43.544 50.318 1.00 0.00 N ATOM 480 CA ASN A 31 40.192 43.905 50.891 1.00 0.00 C ATOM 481 C ASN A 31 39.243 42.648 50.892 1.00 0.00 C ATOM 482 O ASN A 31 38.797 42.183 49.844 1.00 0.00 O ATOM 483 CB ASN A 31 39.579 45.064 50.103 1.00 0.00 C ATOM 484 CG ASN A 31 38.367 45.623 50.828 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.218 45.354 50.530 1.00 0.00 O ATOM 486 ND2 ASN A 31 38.664 46.472 51.838 1.00 0.00 N ATOM 0 H ASN A 31 41.884 44.308 49.755 1.00 0.00 H new ATOM 0 HA ASN A 31 40.322 44.230 51.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.322 45.850 49.966 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.289 44.722 49.109 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.914 46.908 52.375 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.638 46.677 52.063 1.00 0.00 H new ATOM 493 N ILE A 32 38.871 42.130 52.142 1.00 0.00 N ATOM 494 CA ILE A 32 38.139 40.868 52.218 1.00 0.00 C ATOM 495 C ILE A 32 37.810 40.426 53.697 1.00 0.00 C ATOM 496 O ILE A 32 38.423 40.896 54.653 1.00 0.00 O ATOM 497 CB ILE A 32 38.985 39.702 51.618 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.250 38.426 51.181 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.138 39.305 52.557 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.179 38.649 50.101 1.00 0.00 C ATOM 0 H ILE A 32 39.073 42.571 53.039 1.00 0.00 H new ATOM 0 HA ILE A 32 37.217 41.048 51.665 1.00 0.00 H new ATOM 0 HB ILE A 32 39.340 40.149 50.689 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.982 37.710 50.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.779 37.975 52.055 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.708 38.490 52.110 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.792 40.163 52.713 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.732 38.980 53.515 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.710 37.697 49.852 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.423 39.339 50.475 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.644 39.069 49.209 1.00 0.00 H new ATOM 512 N ILE A 33 36.844 39.428 53.846 1.00 0.00 N ATOM 513 CA ILE A 33 36.677 38.721 55.137 1.00 0.00 C ATOM 514 C ILE A 33 37.650 37.487 54.993 1.00 0.00 C ATOM 515 O ILE A 33 37.325 36.470 54.378 1.00 0.00 O ATOM 516 CB ILE A 33 35.277 38.206 55.520 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.104 39.208 55.420 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.299 37.529 56.912 1.00 0.00 C ATOM 519 CD1 ILE A 33 32.748 38.475 55.389 1.00 0.00 C ATOM 0 H ILE A 33 36.209 39.126 53.107 1.00 0.00 H new ATOM 0 HA ILE A 33 36.878 39.435 55.935 1.00 0.00 H new ATOM 0 HB ILE A 33 35.058 37.479 54.738 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.132 39.891 56.269 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.214 39.813 54.520 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.299 37.174 57.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 35.990 36.686 56.896 1.00 0.00 H new ATOM 0 HG23 ILE A 33 35.624 38.250 57.662 1.00 0.00 H new ATOM 0 HD11 ILE A 33 31.941 39.205 55.318 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.713 37.811 54.525 1.00 0.00 H new ATOM 0 HD13 ILE A 33 32.629 37.890 56.301 1.00 0.00 H new ATOM 531 N ARG A 34 38.892 37.578 55.593 1.00 0.00 N ATOM 532 CA ARG A 34 39.903 36.514 55.456 1.00 0.00 C ATOM 533 C ARG A 34 40.609 36.504 56.832 1.00 0.00 C ATOM 534 O ARG A 34 41.171 37.493 57.302 1.00 0.00 O ATOM 535 CB ARG A 34 40.917 36.718 54.334 1.00 0.00 C ATOM 536 CG ARG A 34 42.067 35.702 54.217 1.00 0.00 C ATOM 537 CD ARG A 34 43.137 36.197 53.223 1.00 0.00 C ATOM 538 NE ARG A 34 43.784 37.519 53.408 1.00 0.00 N ATOM 539 CZ ARG A 34 44.131 38.123 54.531 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.014 37.549 55.692 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.624 39.322 54.456 1.00 0.00 N ATOM 0 H ARG A 34 39.191 38.371 56.161 1.00 0.00 H new ATOM 0 HA ARG A 34 39.422 35.575 55.182 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.375 36.722 53.388 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.355 37.709 54.454 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.519 35.544 55.196 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.676 34.740 53.887 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.931 35.450 53.207 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.680 36.198 52.233 1.00 0.00 H new ATOM 0 HE ARG A 34 43.989 38.032 52.551 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.644 36.601 55.757 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.292 38.047 56.538 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.734 39.772 53.547 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.901 39.814 55.306 1.00 0.00 H new ATOM 555 N ARG A 35 40.578 35.287 57.500 1.00 0.00 N ATOM 556 CA ARG A 35 40.726 35.310 58.942 1.00 0.00 C ATOM 557 C ARG A 35 41.196 33.948 59.519 1.00 0.00 C ATOM 558 O ARG A 35 41.618 33.079 58.756 1.00 0.00 O ATOM 559 CB ARG A 35 39.411 35.923 59.497 1.00 0.00 C ATOM 560 CG ARG A 35 38.042 35.398 58.971 1.00 0.00 C ATOM 561 CD ARG A 35 37.655 33.936 59.232 1.00 0.00 C ATOM 562 NE ARG A 35 36.345 33.490 58.661 1.00 0.00 N ATOM 563 CZ ARG A 35 35.881 33.619 57.423 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.625 34.027 56.435 1.00 0.00 N ATOM 565 NH2 ARG A 35 34.626 33.326 57.209 1.00 0.00 N ATOM 0 H ARG A 35 40.460 34.369 57.071 1.00 0.00 H new ATOM 0 HA ARG A 35 41.546 35.944 59.279 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.419 35.790 60.579 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.445 36.996 59.308 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.262 36.026 59.400 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.021 35.556 57.893 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.440 33.296 58.830 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.633 33.774 60.310 1.00 0.00 H new ATOM 0 HE ARG A 35 35.720 33.020 59.316 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.604 34.262 56.597 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.228 34.112 55.499 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.037 33.010 57.980 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.235 33.413 56.271 1.00 0.00 H new ATOM 579 N GLY A 36 41.248 33.816 60.905 1.00 0.00 N ATOM 580 CA GLY A 36 41.977 32.615 61.320 1.00 0.00 C ATOM 581 C GLY A 36 42.243 32.337 62.808 1.00 0.00 C ATOM 582 O GLY A 36 41.637 32.908 63.702 1.00 0.00 O ATOM 0 H GLY A 36 40.857 34.428 61.621 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.434 31.757 60.925 1.00 0.00 H new ATOM 0 HA3 GLY A 36 42.945 32.638 60.819 1.00 0.00 H new ATOM 586 N CYS A 37 43.180 31.338 63.017 1.00 0.00 N ATOM 587 CA CYS A 37 43.568 30.824 64.337 1.00 0.00 C ATOM 588 C CYS A 37 44.490 31.880 65.040 1.00 0.00 C ATOM 589 O CYS A 37 45.588 32.188 64.574 1.00 0.00 O ATOM 590 CB CYS A 37 44.323 29.491 64.204 1.00 0.00 C ATOM 591 SG CYS A 37 44.524 28.701 65.829 1.00 0.00 S ATOM 0 H CYS A 37 43.674 30.882 62.250 1.00 0.00 H new ATOM 0 HA CYS A 37 42.669 30.651 64.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.779 28.824 63.535 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.301 29.665 63.755 1.00 0.00 H new ATOM 596 N GLY A 38 43.996 32.509 66.184 1.00 0.00 N ATOM 597 CA GLY A 38 44.910 33.393 66.905 1.00 0.00 C ATOM 598 C GLY A 38 44.204 33.757 68.233 1.00 0.00 C ATOM 599 O GLY A 38 44.132 32.977 69.177 1.00 0.00 O ATOM 0 H GLY A 38 43.056 32.412 66.568 1.00 0.00 H new ATOM 0 HA2 GLY A 38 45.862 32.897 67.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.127 34.288 66.322 1.00 0.00 H new ATOM 603 N CYS A 39 43.651 35.025 68.277 1.00 0.00 N ATOM 604 CA CYS A 39 42.855 35.506 69.410 1.00 0.00 C ATOM 605 C CYS A 39 43.732 36.234 70.476 1.00 0.00 C ATOM 606 O CYS A 39 43.369 37.283 71.004 1.00 0.00 O ATOM 607 CB CYS A 39 41.645 36.280 68.876 1.00 0.00 C ATOM 608 SG CYS A 39 40.581 36.998 70.156 1.00 0.00 S ATOM 0 H CYS A 39 43.758 35.709 67.528 1.00 0.00 H new ATOM 0 HA CYS A 39 42.446 34.671 69.979 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.000 37.080 68.227 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.046 35.611 68.258 1.00 0.00 H new ATOM 613 N PHE A 40 44.915 35.599 70.816 1.00 0.00 N ATOM 614 CA PHE A 40 45.728 36.021 71.969 1.00 0.00 C ATOM 615 C PHE A 40 46.756 37.083 71.423 1.00 0.00 C ATOM 616 O PHE A 40 47.918 36.767 71.177 1.00 0.00 O ATOM 617 CB PHE A 40 46.398 34.800 72.670 1.00 0.00 C ATOM 618 CG PHE A 40 45.618 33.494 72.546 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.405 33.249 73.201 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.117 32.491 71.705 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.713 32.050 73.014 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.439 31.294 71.506 1.00 0.00 C ATOM 623 CZ PHE A 40 44.231 31.068 72.166 1.00 0.00 C ATOM 0 H PHE A 40 45.300 34.808 70.301 1.00 0.00 H new ATOM 0 HA PHE A 40 45.119 36.476 72.750 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.393 34.656 72.249 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.530 35.031 73.727 1.00 0.00 H new ATOM 0 HD1 PHE A 40 43.997 34.000 73.862 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.056 32.652 71.196 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.777 31.882 73.525 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.845 30.543 70.844 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.699 30.139 72.022 1.00 0.00 H new ATOM 735 N GLY A 48 43.477 44.693 66.225 1.00 0.00 N ATOM 736 CA GLY A 48 42.864 43.496 66.789 1.00 0.00 C ATOM 737 C GLY A 48 41.449 43.207 66.173 1.00 0.00 C ATOM 738 O GLY A 48 40.496 43.944 66.421 1.00 0.00 O ATOM 0 HA2 GLY A 48 43.516 42.640 66.615 1.00 0.00 H new ATOM 0 HA3 GLY A 48 42.771 43.612 67.869 1.00 0.00 H new ATOM 742 N PRO A 49 41.303 42.065 65.391 1.00 0.00 N ATOM 743 CA PRO A 49 39.977 41.547 65.016 1.00 0.00 C ATOM 744 C PRO A 49 39.148 41.126 66.275 1.00 0.00 C ATOM 745 O PRO A 49 39.647 41.067 67.397 1.00 0.00 O ATOM 746 CB PRO A 49 40.290 40.258 64.218 1.00 0.00 C ATOM 747 CG PRO A 49 41.657 39.847 64.763 1.00 0.00 C ATOM 748 CD PRO A 49 42.336 41.205 64.824 1.00 0.00 C ATOM 0 HA PRO A 49 39.403 42.297 64.472 1.00 0.00 H new ATOM 0 HB2 PRO A 49 39.539 39.486 64.385 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.322 40.444 63.145 1.00 0.00 H new ATOM 0 HG2 PRO A 49 41.590 39.371 65.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.176 39.151 64.104 1.00 0.00 H new ATOM 0 HD2 PRO A 49 43.229 41.182 65.449 1.00 0.00 H new ATOM 0 HD3 PRO A 49 42.647 41.545 63.836 1.00 0.00 H new ATOM 756 N TYR A 50 37.826 40.795 66.020 1.00 0.00 N ATOM 757 CA TYR A 50 36.933 40.313 67.094 1.00 0.00 C ATOM 758 C TYR A 50 36.874 38.745 67.097 1.00 0.00 C ATOM 759 O TYR A 50 37.248 38.118 66.106 1.00 0.00 O ATOM 760 CB TYR A 50 35.481 40.906 67.067 1.00 0.00 C ATOM 761 CG TYR A 50 34.632 40.329 65.961 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.669 40.835 64.665 1.00 0.00 C ATOM 763 CD2 TYR A 50 33.765 39.267 66.214 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.857 40.326 63.661 1.00 0.00 C ATOM 765 CE2 TYR A 50 32.960 38.730 65.224 1.00 0.00 C ATOM 766 CZ TYR A 50 32.979 39.271 63.931 1.00 0.00 C ATOM 767 OH TYR A 50 32.154 38.741 62.975 1.00 0.00 O ATOM 0 H TYR A 50 37.388 40.858 65.101 1.00 0.00 H new ATOM 0 HA TYR A 50 37.380 40.680 68.018 1.00 0.00 H new ATOM 0 HB2 TYR A 50 34.998 40.716 68.026 1.00 0.00 H new ATOM 0 HB3 TYR A 50 35.538 41.988 66.948 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.346 41.644 64.435 1.00 0.00 H new ATOM 0 HD2 TYR A 50 33.720 38.852 67.210 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.903 40.746 62.667 1.00 0.00 H new ATOM 0 HE2 TYR A 50 32.316 37.893 65.448 1.00 0.00 H new ATOM 0 HH TYR A 50 31.624 38.015 63.366 1.00 0.00 H new ATOM 777 N CYS A 51 36.382 38.115 68.244 1.00 0.00 N ATOM 778 CA CYS A 51 36.671 36.684 68.396 1.00 0.00 C ATOM 779 C CYS A 51 35.630 35.785 69.137 1.00 0.00 C ATOM 780 O CYS A 51 34.747 36.251 69.851 1.00 0.00 O ATOM 781 CB CYS A 51 37.967 36.564 69.222 1.00 0.00 C ATOM 782 SG CYS A 51 39.274 37.734 68.746 1.00 0.00 S ATOM 0 H CYS A 51 35.840 38.553 68.989 1.00 0.00 H new ATOM 0 HA CYS A 51 36.696 36.320 67.369 1.00 0.00 H new ATOM 0 HB2 CYS A 51 37.727 36.715 70.275 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.352 35.549 69.125 1.00 0.00 H new ATOM 787 N CYS A 52 35.858 34.429 68.968 1.00 0.00 N ATOM 788 CA CYS A 52 35.090 33.364 69.614 1.00 0.00 C ATOM 789 C CYS A 52 36.038 32.262 70.205 1.00 0.00 C ATOM 790 O CYS A 52 37.141 32.051 69.703 1.00 0.00 O ATOM 791 CB CYS A 52 34.188 32.673 68.605 1.00 0.00 C ATOM 792 SG CYS A 52 32.816 31.768 69.378 1.00 0.00 S ATOM 0 H CYS A 52 36.599 34.073 68.364 1.00 0.00 H new ATOM 0 HA CYS A 52 34.507 33.831 70.408 1.00 0.00 H new ATOM 0 HB2 CYS A 52 33.784 33.417 67.919 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.783 31.980 68.010 1.00 0.00 H new ATOM 797 N GLU A 53 35.516 31.462 71.207 1.00 0.00 N ATOM 798 CA GLU A 53 36.317 30.390 71.853 1.00 0.00 C ATOM 799 C GLU A 53 35.697 28.986 71.538 1.00 0.00 C ATOM 800 O GLU A 53 35.720 28.070 72.358 1.00 0.00 O ATOM 801 CB GLU A 53 36.534 30.647 73.367 1.00 0.00 C ATOM 802 CG GLU A 53 35.261 30.892 74.208 1.00 0.00 C ATOM 803 CD GLU A 53 35.590 30.862 75.700 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.773 29.858 76.362 1.00 0.00 O ATOM 805 OE2 GLU A 53 35.637 32.087 76.222 1.00 0.00 O ATOM 0 H GLU A 53 34.565 31.549 71.566 1.00 0.00 H new ATOM 0 HA GLU A 53 37.319 30.401 71.424 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.062 29.791 73.787 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.189 31.511 73.477 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.825 31.856 73.945 1.00 0.00 H new ATOM 0 HG3 GLU A 53 34.515 30.131 73.979 1.00 0.00 H new ATOM 813 N SER A 54 35.225 28.804 70.250 1.00 0.00 N ATOM 814 CA SER A 54 34.640 27.547 69.785 1.00 0.00 C ATOM 815 C SER A 54 34.785 27.388 68.233 1.00 0.00 C ATOM 816 O SER A 54 35.216 28.291 67.521 1.00 0.00 O ATOM 817 CB SER A 54 33.152 27.327 70.213 1.00 0.00 C ATOM 818 OG SER A 54 32.980 27.041 71.599 1.00 0.00 O ATOM 0 H SER A 54 35.252 29.533 69.537 1.00 0.00 H new ATOM 0 HA SER A 54 35.217 26.770 70.287 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.578 28.219 69.963 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.735 26.506 69.629 1.00 0.00 H new ATOM 0 HG SER A 54 33.815 27.226 72.077 1.00 0.00 H new ATOM 824 N ASP A 55 34.428 26.140 67.755 1.00 0.00 N ATOM 825 CA ASP A 55 34.608 25.715 66.366 1.00 0.00 C ATOM 826 C ASP A 55 33.614 26.531 65.440 1.00 0.00 C ATOM 827 O ASP A 55 32.397 26.345 65.433 1.00 0.00 O ATOM 828 CB ASP A 55 34.378 24.191 66.309 1.00 0.00 C ATOM 829 CG ASP A 55 34.746 23.633 64.918 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.886 23.927 64.544 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.860 23.002 64.337 1.00 0.00 O ATOM 0 H ASP A 55 34.010 25.422 68.346 1.00 0.00 H new ATOM 0 HA ASP A 55 35.614 25.920 65.999 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.979 23.699 67.074 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.335 23.968 66.531 1.00 0.00 H new ATOM 836 N LYS A 56 34.215 27.471 64.603 1.00 0.00 N ATOM 837 CA LYS A 56 33.595 28.391 63.649 1.00 0.00 C ATOM 838 C LYS A 56 32.908 29.579 64.422 1.00 0.00 C ATOM 839 O LYS A 56 33.379 30.714 64.360 1.00 0.00 O ATOM 840 CB LYS A 56 32.642 27.825 62.570 1.00 0.00 C ATOM 841 CG LYS A 56 33.306 26.782 61.643 1.00 0.00 C ATOM 842 CD LYS A 56 33.229 25.330 62.142 1.00 0.00 C ATOM 843 CE LYS A 56 31.821 24.699 62.305 1.00 0.00 C ATOM 844 NZ LYS A 56 31.687 24.203 63.752 1.00 0.00 N ATOM 0 H LYS A 56 35.229 27.584 64.608 1.00 0.00 H new ATOM 0 HA LYS A 56 34.444 28.716 63.048 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.782 27.368 63.060 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.263 28.648 61.964 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.836 26.839 60.661 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.354 27.050 61.511 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.798 24.707 61.452 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.733 25.279 63.107 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.047 25.432 62.080 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.690 23.873 61.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.743 23.790 63.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.412 23.481 63.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.816 25.001 64.406 1.00 0.00 H new ATOM 858 N CYS A 57 31.733 29.284 65.092 1.00 0.00 N ATOM 859 CA CYS A 57 30.845 30.181 65.846 1.00 0.00 C ATOM 860 C CYS A 57 29.981 31.058 64.878 1.00 0.00 C ATOM 861 O CYS A 57 28.774 31.175 65.078 1.00 0.00 O ATOM 862 CB CYS A 57 31.471 31.106 66.914 1.00 0.00 C ATOM 863 SG CYS A 57 32.584 30.224 68.038 1.00 0.00 S ATOM 0 H CYS A 57 31.377 28.328 65.103 1.00 0.00 H new ATOM 0 HA CYS A 57 30.251 29.468 66.418 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.021 31.906 66.418 1.00 0.00 H new ATOM 0 HB3 CYS A 57 30.676 31.577 67.492 1.00 0.00 H new ATOM 868 N ASN A 58 30.636 31.723 63.857 1.00 0.00 N ATOM 869 CA ASN A 58 29.965 32.629 62.927 1.00 0.00 C ATOM 870 C ASN A 58 30.909 32.674 61.682 1.00 0.00 C ATOM 871 O ASN A 58 31.617 33.652 61.454 1.00 0.00 O ATOM 872 CB ASN A 58 29.634 34.028 63.529 1.00 0.00 C ATOM 873 CG ASN A 58 30.728 34.526 64.471 1.00 0.00 C ATOM 874 OD1 ASN A 58 31.742 35.087 64.099 1.00 0.00 O ATOM 875 ND2 ASN A 58 30.487 34.289 65.780 1.00 0.00 N ATOM 0 H ASN A 58 31.636 31.626 63.682 1.00 0.00 H new ATOM 0 HA ASN A 58 28.970 32.271 62.663 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.499 34.746 62.720 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.689 33.974 64.069 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.164 34.583 66.484 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.628 33.817 66.063 1.00 0.00 H new ATOM 882 N LEU A 59 30.926 31.537 60.890 1.00 0.00 N ATOM 883 CA LEU A 59 31.794 31.310 59.720 1.00 0.00 C ATOM 884 C LEU A 59 33.328 31.461 60.202 1.00 0.00 C ATOM 885 O LEU A 59 34.013 32.345 59.681 1.00 0.00 O ATOM 886 CB LEU A 59 31.552 32.253 58.514 1.00 0.00 C ATOM 887 CG LEU A 59 30.208 32.543 57.803 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.441 33.651 56.757 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.578 31.330 57.105 1.00 0.00 C ATOM 890 OXT LEU A 59 33.689 30.719 61.122 1.00 0.00 O ATOM 0 H LEU A 59 30.309 30.746 61.075 1.00 0.00 H new ATOM 0 HA LEU A 59 31.555 30.312 59.354 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.925 33.227 58.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.220 31.895 57.731 1.00 0.00 H new ATOM 0 HG LEU A 59 29.505 32.842 58.581 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.504 33.870 56.244 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.801 34.551 57.255 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.182 33.316 56.031 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.641 31.627 56.635 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.262 30.952 56.345 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.384 30.548 57.839 1.00 0.00 H new