USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 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 5 ASN : amide:sc= 0.415 K(o=1.1,f=-0.41) USER MOD Set 1.2: A 6 HIS : no HE2:sc= -0.735 K(o=1.1,f=-3.3!) USER MOD Set 1.3: A 13 THR OG1 : rot 69:sc= 1.38 USER MOD Single : A 1 ARG N :NH3+ -153:sc= 0.459! (180deg=-3.1!) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 THR OG1 : rot 76:sc= 0.264 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00498 X(o=-0.005,f=0.041) USER MOD Single : A 21 SER OG : rot -77:sc= 0.732 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= 1.76! (180deg=-0.979) USER MOD Single : A 25 ASN : amide:sc= -3.55! C(o=-3.5!,f=-4.9!) USER MOD Single : A 28 THR OG1 : rot -107:sc= 1.22 USER MOD Single : A 31 ASN : amide:sc=-0.00013 X(o=-0.00013,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= -2.37! (180deg=-3.09!) USER MOD Single : A 58 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.771 24.357 67.603 1.00 0.00 N ATOM 2 CA ARG A 1 39.335 24.211 67.083 1.00 0.00 C ATOM 3 C ARG A 1 39.331 24.668 65.587 1.00 0.00 C ATOM 4 O ARG A 1 40.389 24.978 65.046 1.00 0.00 O ATOM 5 CB ARG A 1 38.351 25.013 67.950 1.00 0.00 C ATOM 6 CG ARG A 1 38.119 24.406 69.354 1.00 0.00 C ATOM 7 CD ARG A 1 36.901 25.027 70.100 1.00 0.00 C ATOM 8 NE ARG A 1 37.081 25.537 71.484 1.00 0.00 N ATOM 9 CZ ARG A 1 38.001 26.370 71.959 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.985 26.821 71.233 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.913 26.756 73.207 1.00 0.00 N ATOM 0 H1 ARG A 1 40.931 23.679 68.376 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.441 24.166 66.831 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.916 25.325 67.956 1.00 0.00 H new ATOM 0 HA ARG A 1 39.001 23.175 67.144 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.725 26.031 68.062 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.395 25.080 67.431 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.967 23.331 69.257 1.00 0.00 H new ATOM 0 HG3 ARG A 1 39.016 24.548 69.956 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.530 25.852 69.492 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.114 24.273 70.128 1.00 0.00 H new ATOM 0 HE ARG A 1 36.402 25.200 72.166 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.072 26.536 70.258 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.668 27.459 71.640 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.150 26.418 73.793 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.608 27.395 73.593 1.00 0.00 H new ATOM 27 N ILE A 2 38.115 24.646 64.912 1.00 0.00 N ATOM 28 CA ILE A 2 38.035 24.967 63.462 1.00 0.00 C ATOM 29 C ILE A 2 37.643 26.468 63.247 1.00 0.00 C ATOM 30 O ILE A 2 36.648 26.966 63.773 1.00 0.00 O ATOM 31 CB ILE A 2 37.022 24.146 62.607 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.315 22.622 62.633 1.00 0.00 C ATOM 33 CG2 ILE A 2 36.971 24.625 61.128 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.413 21.794 63.560 1.00 0.00 C ATOM 0 H ILE A 2 37.221 24.416 65.347 1.00 0.00 H new ATOM 0 HA ILE A 2 39.038 24.711 63.119 1.00 0.00 H new ATOM 0 HB ILE A 2 36.052 24.323 63.071 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.220 22.233 61.619 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.352 22.474 62.935 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.251 24.022 60.575 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.669 25.672 61.095 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.957 24.518 60.677 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.700 20.744 63.504 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.524 22.147 64.585 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.374 21.903 63.249 1.00 0.00 H new ATOM 46 N CYS A 3 38.444 27.185 62.367 1.00 0.00 N ATOM 47 CA CYS A 3 38.025 28.495 61.864 1.00 0.00 C ATOM 48 C CYS A 3 38.435 28.599 60.350 1.00 0.00 C ATOM 49 O CYS A 3 39.353 27.926 59.885 1.00 0.00 O ATOM 50 CB CYS A 3 38.526 29.707 62.667 1.00 0.00 C ATOM 51 SG CYS A 3 38.357 29.375 64.453 1.00 0.00 S ATOM 0 H CYS A 3 39.348 26.864 62.020 1.00 0.00 H new ATOM 0 HA CYS A 3 36.943 28.545 61.985 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.568 29.911 62.423 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.955 30.595 62.397 1.00 0.00 H new ATOM 56 N TYR A 4 37.704 29.474 59.562 1.00 0.00 N ATOM 57 CA TYR A 4 37.818 29.394 58.089 1.00 0.00 C ATOM 58 C TYR A 4 38.863 30.392 57.489 1.00 0.00 C ATOM 59 O TYR A 4 39.083 31.462 58.050 1.00 0.00 O ATOM 60 CB TYR A 4 36.427 29.676 57.489 1.00 0.00 C ATOM 61 CG TYR A 4 35.316 28.914 58.200 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.352 27.529 58.354 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.231 29.586 58.760 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.326 26.828 58.967 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.187 28.907 59.369 1.00 0.00 C ATOM 66 CZ TYR A 4 33.199 27.510 59.433 1.00 0.00 C ATOM 67 OH TYR A 4 32.127 26.824 59.962 1.00 0.00 O ATOM 0 H TYR A 4 37.073 30.193 59.915 1.00 0.00 H new ATOM 0 HA TYR A 4 38.174 28.396 57.835 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.222 30.745 57.544 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.429 29.406 56.433 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.208 26.984 57.983 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.203 30.665 58.718 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.397 25.757 59.084 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.362 29.458 59.795 1.00 0.00 H new ATOM 0 HH TYR A 4 32.443 25.995 60.379 1.00 0.00 H new ATOM 77 N ASN A 5 39.494 30.066 56.292 1.00 0.00 N ATOM 78 CA ASN A 5 40.565 30.949 55.783 1.00 0.00 C ATOM 79 C ASN A 5 40.435 31.190 54.259 1.00 0.00 C ATOM 80 O ASN A 5 41.437 31.441 53.590 1.00 0.00 O ATOM 81 CB ASN A 5 41.981 30.449 56.146 1.00 0.00 C ATOM 82 CG ASN A 5 42.387 29.201 55.367 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.632 28.293 55.070 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.697 29.169 55.040 1.00 0.00 N ATOM 0 H ASN A 5 39.281 29.252 55.716 1.00 0.00 H new ATOM 0 HA ASN A 5 40.430 31.905 56.289 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.702 31.243 55.952 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.023 30.234 57.214 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.076 28.370 54.532 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.307 29.944 55.301 1.00 0.00 H new ATOM 91 N HIS A 6 39.159 31.209 53.726 1.00 0.00 N ATOM 92 CA HIS A 6 38.903 31.297 52.302 1.00 0.00 C ATOM 93 C HIS A 6 39.005 32.787 51.794 1.00 0.00 C ATOM 94 O HIS A 6 39.765 33.607 52.302 1.00 0.00 O ATOM 95 CB HIS A 6 39.602 30.164 51.449 1.00 0.00 C ATOM 96 CG HIS A 6 40.972 30.415 50.895 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.876 29.367 50.634 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.625 31.520 50.427 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.997 29.796 50.063 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.851 31.120 49.915 1.00 0.00 N ATOM 0 H HIS A 6 38.313 31.163 54.295 1.00 0.00 H new ATOM 0 HA HIS A 6 37.860 31.042 52.117 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.657 29.270 52.070 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.945 29.930 50.611 1.00 0.00 H new ATOM 0 HD1 HIS A 6 41.691 28.389 50.858 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.251 32.533 50.451 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.851 29.200 49.777 1.00 0.00 H new ATOM 109 N LEU A 7 38.132 33.137 50.779 1.00 0.00 N ATOM 110 CA LEU A 7 37.950 34.492 50.269 1.00 0.00 C ATOM 111 C LEU A 7 39.230 35.131 49.612 1.00 0.00 C ATOM 112 O LEU A 7 40.256 34.486 49.422 1.00 0.00 O ATOM 113 CB LEU A 7 37.274 35.393 51.334 1.00 0.00 C ATOM 114 CG LEU A 7 35.794 35.040 51.625 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.262 35.840 52.822 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.908 35.296 50.393 1.00 0.00 C ATOM 0 H LEU A 7 37.542 32.452 50.307 1.00 0.00 H new ATOM 0 HA LEU A 7 37.266 34.412 49.424 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.840 35.324 52.263 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.329 36.430 51.003 1.00 0.00 H new ATOM 0 HG LEU A 7 35.756 33.978 51.867 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.221 35.573 53.004 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.856 35.610 53.706 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.331 36.906 52.606 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.875 35.039 50.628 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.966 36.348 50.116 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.255 34.682 49.562 1.00 0.00 H new ATOM 128 N GLY A 8 39.058 36.428 49.143 1.00 0.00 N ATOM 129 CA GLY A 8 40.133 37.244 48.574 1.00 0.00 C ATOM 130 C GLY A 8 40.980 36.458 47.552 1.00 0.00 C ATOM 131 O GLY A 8 42.188 36.401 47.764 1.00 0.00 O ATOM 0 H GLY A 8 38.157 36.906 49.164 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.704 38.121 48.090 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.777 37.605 49.376 1.00 0.00 H new ATOM 135 N THR A 9 40.353 35.960 46.411 1.00 0.00 N ATOM 136 CA THR A 9 40.957 35.248 45.237 1.00 0.00 C ATOM 137 C THR A 9 40.419 33.793 45.147 1.00 0.00 C ATOM 138 O THR A 9 40.141 33.326 44.043 1.00 0.00 O ATOM 139 CB THR A 9 42.508 35.208 45.195 1.00 0.00 C ATOM 140 OG1 THR A 9 43.081 36.513 45.055 1.00 0.00 O ATOM 141 CG2 THR A 9 43.166 34.390 44.076 1.00 0.00 C ATOM 0 H THR A 9 39.345 36.061 46.296 1.00 0.00 H new ATOM 0 HA THR A 9 40.649 35.847 44.380 1.00 0.00 H new ATOM 0 HB THR A 9 42.712 34.725 46.151 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.037 36.983 45.914 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.250 34.452 44.170 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.854 33.349 44.155 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.862 34.788 43.108 1.00 0.00 H new ATOM 149 N LYS A 10 40.282 33.069 46.317 1.00 0.00 N ATOM 150 CA LYS A 10 39.851 31.652 46.293 1.00 0.00 C ATOM 151 C LYS A 10 38.864 31.399 47.502 1.00 0.00 C ATOM 152 O LYS A 10 39.311 31.306 48.636 1.00 0.00 O ATOM 153 CB LYS A 10 41.029 30.644 46.342 1.00 0.00 C ATOM 154 CG LYS A 10 41.825 30.561 45.022 1.00 0.00 C ATOM 155 CD LYS A 10 43.122 29.734 45.112 1.00 0.00 C ATOM 156 CE LYS A 10 43.972 29.889 43.845 1.00 0.00 C ATOM 157 NZ LYS A 10 45.231 29.014 43.884 1.00 0.00 N ATOM 0 H LYS A 10 40.461 33.444 47.248 1.00 0.00 H new ATOM 0 HA LYS A 10 39.351 31.480 45.340 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.706 30.928 47.148 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.640 29.655 46.585 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.185 30.128 44.253 1.00 0.00 H new ATOM 0 HG3 LYS A 10 42.074 31.571 44.698 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.699 30.052 45.980 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.876 28.683 45.261 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.374 29.624 42.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.261 30.934 43.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.776 29.150 43.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.816 29.283 44.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.957 28.014 43.969 1.00 0.00 H new ATOM 171 N PRO A 11 37.504 31.166 47.254 1.00 0.00 N ATOM 172 CA PRO A 11 36.537 30.990 48.371 1.00 0.00 C ATOM 173 C PRO A 11 36.356 29.635 49.189 1.00 0.00 C ATOM 174 O PRO A 11 35.711 29.752 50.233 1.00 0.00 O ATOM 175 CB PRO A 11 35.163 31.340 47.764 1.00 0.00 C ATOM 176 CG PRO A 11 35.513 32.387 46.704 1.00 0.00 C ATOM 177 CD PRO A 11 36.821 31.836 46.136 1.00 0.00 C ATOM 0 HA PRO A 11 36.975 31.614 49.150 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.681 30.466 47.325 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.480 31.738 48.514 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.739 32.470 45.941 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.642 33.379 47.137 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.628 31.137 45.322 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.437 32.638 45.728 1.00 0.00 H new ATOM 185 N PRO A 12 36.982 28.424 48.877 1.00 0.00 N ATOM 186 CA PRO A 12 36.586 27.191 49.615 1.00 0.00 C ATOM 187 C PRO A 12 37.283 26.645 50.912 1.00 0.00 C ATOM 188 O PRO A 12 36.622 25.853 51.589 1.00 0.00 O ATOM 189 CB PRO A 12 36.866 26.045 48.607 1.00 0.00 C ATOM 190 CG PRO A 12 36.818 26.679 47.213 1.00 0.00 C ATOM 191 CD PRO A 12 37.232 28.130 47.466 1.00 0.00 C ATOM 0 HA PRO A 12 35.596 27.479 49.970 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.839 25.591 48.795 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.122 25.254 48.701 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.499 26.182 46.522 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.821 26.616 46.778 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.285 28.275 47.226 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.664 28.807 46.828 1.00 0.00 H new ATOM 199 N THR A 13 38.594 26.954 51.266 1.00 0.00 N ATOM 200 CA THR A 13 39.222 26.224 52.383 1.00 0.00 C ATOM 201 C THR A 13 38.968 26.734 53.830 1.00 0.00 C ATOM 202 O THR A 13 38.627 27.878 54.117 1.00 0.00 O ATOM 203 CB THR A 13 40.759 26.031 52.228 1.00 0.00 C ATOM 204 OG1 THR A 13 41.538 27.211 52.418 1.00 0.00 O ATOM 205 CG2 THR A 13 41.157 25.411 50.879 1.00 0.00 C ATOM 0 H THR A 13 39.178 27.657 50.813 1.00 0.00 H new ATOM 0 HA THR A 13 38.685 25.281 52.284 1.00 0.00 H new ATOM 0 HB THR A 13 40.989 25.341 53.040 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.506 27.476 53.361 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.241 25.303 50.834 1.00 0.00 H new ATOM 0 HG22 THR A 13 40.690 24.431 50.777 1.00 0.00 H new ATOM 0 HG23 THR A 13 40.823 26.058 50.068 1.00 0.00 H new ATOM 213 N THR A 14 39.261 25.748 54.746 1.00 0.00 N ATOM 214 CA THR A 14 39.007 25.802 56.176 1.00 0.00 C ATOM 215 C THR A 14 40.213 25.188 56.955 1.00 0.00 C ATOM 216 O THR A 14 40.964 24.365 56.430 1.00 0.00 O ATOM 217 CB THR A 14 37.692 25.072 56.474 1.00 0.00 C ATOM 218 OG1 THR A 14 37.836 23.666 56.244 1.00 0.00 O ATOM 219 CG2 THR A 14 36.551 25.663 55.603 1.00 0.00 C ATOM 0 H THR A 14 39.698 24.870 54.465 1.00 0.00 H new ATOM 0 HA THR A 14 38.905 26.835 56.507 1.00 0.00 H new ATOM 0 HB THR A 14 37.436 25.215 57.524 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.989 23.214 56.440 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.620 25.140 55.820 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.433 26.723 55.828 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.798 25.542 54.548 1.00 0.00 H new ATOM 227 N GLU A 15 40.392 25.631 58.253 1.00 0.00 N ATOM 228 CA GLU A 15 41.603 25.272 59.024 1.00 0.00 C ATOM 229 C GLU A 15 41.151 24.514 60.309 1.00 0.00 C ATOM 230 O GLU A 15 40.798 25.114 61.324 1.00 0.00 O ATOM 231 CB GLU A 15 42.482 26.490 59.380 1.00 0.00 C ATOM 232 CG GLU A 15 43.122 27.172 58.154 1.00 0.00 C ATOM 233 CD GLU A 15 44.000 28.343 58.578 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.707 29.184 59.415 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.152 28.369 57.916 1.00 0.00 O ATOM 0 H GLU A 15 39.726 26.217 58.756 1.00 0.00 H new ATOM 0 HA GLU A 15 42.232 24.636 58.401 1.00 0.00 H new ATOM 0 HB2 GLU A 15 41.876 27.220 59.916 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.271 26.171 60.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.719 26.447 57.600 1.00 0.00 H new ATOM 0 HG3 GLU A 15 42.341 27.524 57.480 1.00 0.00 H new ATOM 243 N THR A 16 41.186 23.123 60.244 1.00 0.00 N ATOM 244 CA THR A 16 40.983 22.308 61.455 1.00 0.00 C ATOM 245 C THR A 16 42.375 22.380 62.175 1.00 0.00 C ATOM 246 O THR A 16 43.400 21.933 61.658 1.00 0.00 O ATOM 247 CB THR A 16 40.470 20.856 61.226 1.00 0.00 C ATOM 248 OG1 THR A 16 39.914 20.390 62.457 1.00 0.00 O ATOM 249 CG2 THR A 16 41.524 19.849 60.742 1.00 0.00 C ATOM 0 H THR A 16 41.348 22.589 59.390 1.00 0.00 H new ATOM 0 HA THR A 16 40.163 22.701 62.056 1.00 0.00 H new ATOM 0 HB THR A 16 39.740 20.913 60.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.581 19.476 62.340 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.061 18.870 60.615 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.935 20.182 59.789 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.325 19.778 61.478 1.00 0.00 H new ATOM 257 N CYS A 17 42.414 22.995 63.425 1.00 0.00 N ATOM 258 CA CYS A 17 43.717 23.399 63.976 1.00 0.00 C ATOM 259 C CYS A 17 43.845 23.147 65.513 1.00 0.00 C ATOM 260 O CYS A 17 42.905 23.251 66.300 1.00 0.00 O ATOM 261 CB CYS A 17 43.907 24.873 63.656 1.00 0.00 C ATOM 262 SG CYS A 17 45.565 25.579 63.806 1.00 0.00 S ATOM 0 H CYS A 17 41.603 23.197 64.010 1.00 0.00 H new ATOM 0 HA CYS A 17 44.495 22.787 63.519 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.568 25.037 62.633 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.244 25.442 64.307 1.00 0.00 H new ATOM 267 N GLN A 18 45.139 22.852 65.894 1.00 0.00 N ATOM 268 CA GLN A 18 45.603 22.495 67.237 1.00 0.00 C ATOM 269 C GLN A 18 46.157 23.729 68.041 1.00 0.00 C ATOM 270 O GLN A 18 46.871 23.572 69.030 1.00 0.00 O ATOM 271 CB GLN A 18 46.531 21.242 67.219 1.00 0.00 C ATOM 272 CG GLN A 18 47.582 21.069 66.090 1.00 0.00 C ATOM 273 CD GLN A 18 48.580 22.224 65.996 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.121 22.737 66.958 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.847 22.625 64.733 1.00 0.00 N ATOM 0 H GLN A 18 45.904 22.865 65.219 1.00 0.00 H new ATOM 0 HA GLN A 18 44.732 22.185 67.814 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.068 21.223 68.167 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.887 20.363 67.200 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.129 20.141 66.254 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.064 20.969 65.136 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.378 22.177 63.946 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.517 23.376 64.567 1.00 0.00 H new ATOM 284 N GLU A 19 45.734 24.983 67.641 1.00 0.00 N ATOM 285 CA GLU A 19 45.966 26.239 68.363 1.00 0.00 C ATOM 286 C GLU A 19 44.563 26.524 69.010 1.00 0.00 C ATOM 287 O GLU A 19 43.566 26.666 68.302 1.00 0.00 O ATOM 288 CB GLU A 19 46.357 27.411 67.432 1.00 0.00 C ATOM 289 CG GLU A 19 47.831 27.486 66.972 1.00 0.00 C ATOM 290 CD GLU A 19 48.352 26.146 66.463 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.064 25.629 65.403 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.205 25.599 67.330 1.00 0.00 O ATOM 0 H GLU A 19 45.209 25.122 66.778 1.00 0.00 H new ATOM 0 HA GLU A 19 46.792 26.153 69.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.728 27.361 66.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.114 28.343 67.942 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.925 28.232 66.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.451 27.821 67.803 1.00 0.00 H new ATOM 300 N ASP A 20 44.505 26.642 70.392 1.00 0.00 N ATOM 301 CA ASP A 20 43.289 26.762 71.206 1.00 0.00 C ATOM 302 C ASP A 20 42.427 28.065 70.958 1.00 0.00 C ATOM 303 O ASP A 20 41.465 28.296 71.700 1.00 0.00 O ATOM 304 CB ASP A 20 42.438 25.487 71.361 1.00 0.00 C ATOM 305 CG ASP A 20 41.645 25.044 70.111 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.995 25.929 69.537 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.697 23.848 69.808 1.00 0.00 O ATOM 0 H ASP A 20 45.351 26.653 70.961 1.00 0.00 H new ATOM 0 HA ASP A 20 43.725 26.901 72.195 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.095 24.670 71.658 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.733 25.642 72.178 1.00 0.00 H new ATOM 312 N SER A 21 42.799 28.973 69.984 1.00 0.00 N ATOM 313 CA SER A 21 42.038 30.178 69.701 1.00 0.00 C ATOM 314 C SER A 21 42.268 30.572 68.218 1.00 0.00 C ATOM 315 O SER A 21 43.257 30.199 67.577 1.00 0.00 O ATOM 316 CB SER A 21 42.420 31.392 70.569 1.00 0.00 C ATOM 317 OG SER A 21 43.690 31.961 70.272 1.00 0.00 O ATOM 0 H SER A 21 43.628 28.861 69.400 1.00 0.00 H new ATOM 0 HA SER A 21 40.999 29.938 69.924 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.656 32.161 70.450 1.00 0.00 H new ATOM 0 HB3 SER A 21 42.409 31.090 71.616 1.00 0.00 H new ATOM 0 HG SER A 21 44.397 31.403 70.659 1.00 0.00 H new ATOM 323 N CYS A 22 41.297 31.389 67.687 1.00 0.00 N ATOM 324 CA CYS A 22 41.424 31.843 66.317 1.00 0.00 C ATOM 325 C CYS A 22 40.997 33.322 66.172 1.00 0.00 C ATOM 326 O CYS A 22 40.361 33.908 67.047 1.00 0.00 O ATOM 327 CB CYS A 22 40.667 30.891 65.356 1.00 0.00 C ATOM 328 SG CYS A 22 38.880 31.194 65.250 1.00 0.00 S ATOM 0 H CYS A 22 40.468 31.716 68.184 1.00 0.00 H new ATOM 0 HA CYS A 22 42.475 31.807 66.031 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.098 30.983 64.359 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.830 29.863 65.680 1.00 0.00 H new ATOM 333 N TYR A 23 41.418 33.932 65.015 1.00 0.00 N ATOM 334 CA TYR A 23 41.245 35.371 64.821 1.00 0.00 C ATOM 335 C TYR A 23 40.377 35.728 63.597 1.00 0.00 C ATOM 336 O TYR A 23 40.277 34.993 62.617 1.00 0.00 O ATOM 337 CB TYR A 23 42.620 36.099 64.662 1.00 0.00 C ATOM 338 CG TYR A 23 43.486 35.514 63.567 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.373 35.919 62.240 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.449 34.554 63.865 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.214 35.426 61.255 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.295 34.036 62.894 1.00 0.00 C ATOM 343 CZ TYR A 23 45.197 34.470 61.570 1.00 0.00 C ATOM 344 OH TYR A 23 45.998 33.998 60.575 1.00 0.00 O ATOM 0 H TYR A 23 41.864 33.446 64.237 1.00 0.00 H new ATOM 0 HA TYR A 23 40.732 35.710 65.721 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.442 37.153 64.450 1.00 0.00 H new ATOM 0 HB3 TYR A 23 43.160 36.050 65.607 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.611 36.635 61.971 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.541 34.202 64.882 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.114 35.778 60.239 1.00 0.00 H new ATOM 0 HE2 TYR A 23 46.032 33.294 63.163 1.00 0.00 H new ATOM 0 HH TYR A 23 46.629 33.345 60.945 1.00 0.00 H new ATOM 354 N LYS A 24 39.791 36.975 63.721 1.00 0.00 N ATOM 355 CA LYS A 24 39.007 37.651 62.692 1.00 0.00 C ATOM 356 C LYS A 24 39.960 38.818 62.212 1.00 0.00 C ATOM 357 O LYS A 24 40.255 39.781 62.919 1.00 0.00 O ATOM 358 CB LYS A 24 37.654 38.212 63.207 1.00 0.00 C ATOM 359 CG LYS A 24 36.429 38.075 62.275 1.00 0.00 C ATOM 360 CD LYS A 24 35.751 36.680 62.158 1.00 0.00 C ATOM 361 CE LYS A 24 35.708 35.855 63.457 1.00 0.00 C ATOM 362 NZ LYS A 24 34.751 34.662 63.321 1.00 0.00 N ATOM 0 H LYS A 24 39.872 37.526 64.575 1.00 0.00 H new ATOM 0 HA LYS A 24 38.717 36.962 61.899 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.419 37.715 64.148 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.791 39.270 63.431 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.674 38.786 62.610 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.735 38.382 61.275 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.730 36.820 61.803 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.277 36.102 61.398 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.709 35.497 63.698 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.389 36.489 64.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.118 33.858 63.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.812 34.927 63.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.674 34.392 62.320 1.00 0.00 H new ATOM 376 N ASN A 25 40.432 38.704 60.922 1.00 0.00 N ATOM 377 CA ASN A 25 41.321 39.671 60.249 1.00 0.00 C ATOM 378 C ASN A 25 40.434 40.194 59.046 1.00 0.00 C ATOM 379 O ASN A 25 40.027 39.415 58.184 1.00 0.00 O ATOM 380 CB ASN A 25 42.609 39.003 59.802 1.00 0.00 C ATOM 381 CG ASN A 25 43.632 40.047 59.426 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.459 40.483 60.203 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.515 40.510 58.166 1.00 0.00 N ATOM 0 H ASN A 25 40.189 37.914 60.325 1.00 0.00 H new ATOM 0 HA ASN A 25 41.656 40.488 60.888 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.998 38.373 60.602 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.413 38.351 58.950 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.133 41.251 57.836 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.809 40.119 57.543 1.00 0.00 H new ATOM 390 N ILE A 26 40.158 41.568 58.996 1.00 0.00 N ATOM 391 CA ILE A 26 38.926 42.062 58.308 1.00 0.00 C ATOM 392 C ILE A 26 39.058 43.269 57.305 1.00 0.00 C ATOM 393 O ILE A 26 38.226 43.433 56.415 1.00 0.00 O ATOM 394 CB ILE A 26 37.867 42.445 59.386 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.896 43.914 59.895 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.836 41.483 60.598 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.107 44.351 60.748 1.00 0.00 C ATOM 0 H ILE A 26 40.747 42.294 59.404 1.00 0.00 H new ATOM 0 HA ILE A 26 38.644 41.222 57.673 1.00 0.00 H new ATOM 0 HB ILE A 26 36.944 42.340 58.816 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.841 44.571 59.027 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.993 44.084 60.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.075 41.813 61.305 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.601 40.475 60.257 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.810 41.482 61.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.993 45.397 61.032 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.161 43.735 61.646 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.023 44.230 60.169 1.00 0.00 H new ATOM 409 N TRP A 27 40.086 44.150 57.545 1.00 0.00 N ATOM 410 CA TRP A 27 40.586 45.333 56.830 1.00 0.00 C ATOM 411 C TRP A 27 41.178 44.858 55.439 1.00 0.00 C ATOM 412 O TRP A 27 40.431 44.465 54.552 1.00 0.00 O ATOM 413 CB TRP A 27 41.675 46.040 57.730 1.00 0.00 C ATOM 414 CG TRP A 27 42.367 45.057 58.640 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.627 43.686 58.350 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.565 45.162 60.015 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.831 42.955 59.481 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.808 43.882 60.506 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.352 46.199 60.960 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.834 43.541 61.815 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.391 45.893 62.312 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.634 44.571 62.743 1.00 0.00 C ATOM 0 H TRP A 27 40.656 44.003 58.378 1.00 0.00 H new ATOM 0 HA TRP A 27 39.793 46.054 56.634 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.413 46.529 57.093 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.203 46.820 58.328 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.659 43.275 57.352 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.970 41.947 59.555 1.00 0.00 H new ATOM 0 HE3 TRP A 27 42.163 47.210 60.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.001 42.522 62.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.234 46.673 63.042 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.666 44.351 63.800 1.00 0.00 H new ATOM 433 N THR A 28 42.558 44.915 55.242 1.00 0.00 N ATOM 434 CA THR A 28 43.248 44.491 54.014 1.00 0.00 C ATOM 435 C THR A 28 43.161 45.581 52.868 1.00 0.00 C ATOM 436 O THR A 28 42.275 46.431 52.862 1.00 0.00 O ATOM 437 CB THR A 28 42.855 43.091 53.436 1.00 0.00 C ATOM 438 OG1 THR A 28 43.909 42.576 52.626 1.00 0.00 O ATOM 439 CG2 THR A 28 42.362 41.996 54.408 1.00 0.00 C ATOM 0 H THR A 28 43.197 45.264 55.956 1.00 0.00 H new ATOM 0 HA THR A 28 44.277 44.383 54.357 1.00 0.00 H new ATOM 0 HB THR A 28 41.959 43.325 52.862 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.650 42.625 51.682 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.132 41.089 53.848 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.140 41.782 55.140 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.466 42.343 54.922 1.00 0.00 H new ATOM 447 N PHE A 29 44.139 45.535 51.872 1.00 0.00 N ATOM 448 CA PHE A 29 44.045 46.404 50.686 1.00 0.00 C ATOM 449 C PHE A 29 42.786 45.942 49.894 1.00 0.00 C ATOM 450 O PHE A 29 41.913 46.740 49.557 1.00 0.00 O ATOM 451 CB PHE A 29 45.290 46.398 49.779 1.00 0.00 C ATOM 452 CG PHE A 29 45.166 47.334 48.587 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.499 46.932 47.425 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.755 48.603 48.591 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.404 47.765 46.309 1.00 0.00 C ATOM 456 CE2 PHE A 29 45.681 49.446 47.479 1.00 0.00 C ATOM 457 CZ PHE A 29 45.000 49.030 46.329 1.00 0.00 C ATOM 0 H PHE A 29 44.955 44.923 51.892 1.00 0.00 H new ATOM 0 HA PHE A 29 43.971 47.437 51.025 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.162 46.683 50.368 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.465 45.384 49.420 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.046 45.952 47.390 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.279 48.939 49.474 1.00 0.00 H new ATOM 0 HE1 PHE A 29 43.871 47.433 45.431 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.149 50.419 47.507 1.00 0.00 H new ATOM 0 HZ PHE A 29 44.936 49.678 45.468 1.00 0.00 H new ATOM 467 N ASP A 30 42.739 44.593 49.596 1.00 0.00 N ATOM 468 CA ASP A 30 41.629 43.881 48.984 1.00 0.00 C ATOM 469 C ASP A 30 40.620 43.681 50.167 1.00 0.00 C ATOM 470 O ASP A 30 40.633 42.660 50.844 1.00 0.00 O ATOM 471 CB ASP A 30 42.106 42.575 48.318 1.00 0.00 C ATOM 472 CG ASP A 30 42.817 41.504 49.198 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.558 41.929 50.091 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.575 40.327 48.904 1.00 0.00 O ATOM 0 H ASP A 30 43.526 43.976 49.798 1.00 0.00 H new ATOM 0 HA ASP A 30 41.154 44.417 48.162 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.238 42.102 47.858 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.787 42.845 47.511 1.00 0.00 H new ATOM 479 N ASN A 31 39.710 44.713 50.407 1.00 0.00 N ATOM 480 CA ASN A 31 38.883 44.762 51.625 1.00 0.00 C ATOM 481 C ASN A 31 38.134 43.387 51.788 1.00 0.00 C ATOM 482 O ASN A 31 37.217 43.072 51.028 1.00 0.00 O ATOM 483 CB ASN A 31 37.868 45.912 51.598 1.00 0.00 C ATOM 484 CG ASN A 31 37.254 46.044 52.987 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.804 46.633 53.900 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.049 45.452 53.138 1.00 0.00 N ATOM 0 H ASN A 31 39.557 45.492 49.767 1.00 0.00 H new ATOM 0 HA ASN A 31 39.543 44.942 52.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.357 46.843 51.309 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.092 45.716 50.857 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.571 45.490 54.038 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.617 44.967 52.352 1.00 0.00 H new ATOM 493 N ILE A 32 38.494 42.569 52.866 1.00 0.00 N ATOM 494 CA ILE A 32 37.896 41.242 52.964 1.00 0.00 C ATOM 495 C ILE A 32 38.203 40.536 54.325 1.00 0.00 C ATOM 496 O ILE A 32 39.189 40.822 55.002 1.00 0.00 O ATOM 497 CB ILE A 32 38.349 40.262 51.836 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.392 39.083 51.536 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.782 39.737 52.080 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.899 39.442 51.416 1.00 0.00 C ATOM 0 H ILE A 32 39.150 42.818 53.607 1.00 0.00 H new ATOM 0 HA ILE A 32 36.829 41.444 52.868 1.00 0.00 H new ATOM 0 HB ILE A 32 38.324 40.881 50.939 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.708 38.611 50.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.505 38.339 52.325 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.063 39.058 51.275 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.477 40.576 52.106 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.818 39.206 53.031 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.324 38.540 51.205 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.554 39.882 52.352 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.761 40.158 50.606 1.00 0.00 H new ATOM 512 N ILE A 33 37.317 39.530 54.686 1.00 0.00 N ATOM 513 CA ILE A 33 37.481 38.768 55.936 1.00 0.00 C ATOM 514 C ILE A 33 38.176 37.437 55.497 1.00 0.00 C ATOM 515 O ILE A 33 37.575 36.491 54.994 1.00 0.00 O ATOM 516 CB ILE A 33 36.227 38.551 56.796 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.673 39.845 57.448 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.512 37.553 57.938 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.138 40.968 56.544 1.00 0.00 C ATOM 0 H ILE A 33 36.510 39.254 54.126 1.00 0.00 H new ATOM 0 HA ILE A 33 38.076 39.353 56.637 1.00 0.00 H new ATOM 0 HB ILE A 33 35.480 38.170 56.100 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.868 39.554 58.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.467 40.269 58.063 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.610 37.415 58.534 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.819 36.596 57.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.309 37.943 58.571 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.790 41.797 57.161 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.934 41.315 55.885 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.310 40.589 55.945 1.00 0.00 H new ATOM 531 N ARG A 34 39.539 37.390 55.708 1.00 0.00 N ATOM 532 CA ARG A 34 40.401 36.281 55.271 1.00 0.00 C ATOM 533 C ARG A 34 41.346 36.107 56.489 1.00 0.00 C ATOM 534 O ARG A 34 42.224 36.916 56.784 1.00 0.00 O ATOM 535 CB ARG A 34 41.116 36.615 53.964 1.00 0.00 C ATOM 536 CG ARG A 34 42.188 35.622 53.485 1.00 0.00 C ATOM 537 CD ARG A 34 42.513 35.789 51.985 1.00 0.00 C ATOM 538 NE ARG A 34 43.086 37.035 51.422 1.00 0.00 N ATOM 539 CZ ARG A 34 43.416 38.180 52.003 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.794 38.244 53.252 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.378 39.278 51.303 1.00 0.00 N ATOM 0 H ARG A 34 40.049 38.132 56.188 1.00 0.00 H new ATOM 0 HA ARG A 34 39.874 35.358 55.029 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.364 36.707 53.180 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.584 37.593 54.074 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.097 35.763 54.069 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.845 34.604 53.669 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.202 34.985 51.725 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.586 35.601 51.444 1.00 0.00 H new ATOM 0 HE ARG A 34 43.255 37.006 50.417 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.843 37.394 53.814 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.040 39.144 53.665 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.097 39.248 50.323 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.629 40.167 51.735 1.00 0.00 H new ATOM 555 N ARG A 35 41.089 34.973 57.244 1.00 0.00 N ATOM 556 CA ARG A 35 41.538 34.885 58.627 1.00 0.00 C ATOM 557 C ARG A 35 41.918 33.440 59.065 1.00 0.00 C ATOM 558 O ARG A 35 42.170 32.604 58.201 1.00 0.00 O ATOM 559 CB ARG A 35 40.500 35.665 59.464 1.00 0.00 C ATOM 560 CG ARG A 35 38.993 35.322 59.348 1.00 0.00 C ATOM 561 CD ARG A 35 38.491 34.007 59.966 1.00 0.00 C ATOM 562 NE ARG A 35 37.080 33.628 59.654 1.00 0.00 N ATOM 563 CZ ARG A 35 36.458 33.755 58.492 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.096 33.648 57.359 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.185 34.027 58.491 1.00 0.00 N ATOM 0 H ARG A 35 40.589 34.153 56.902 1.00 0.00 H new ATOM 0 HA ARG A 35 42.504 35.361 58.793 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.778 35.552 60.512 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.612 36.721 59.217 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.431 36.138 59.803 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.736 35.310 58.289 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.144 33.201 59.633 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.596 34.075 61.049 1.00 0.00 H new ATOM 0 HE ARG A 35 36.537 33.228 60.419 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.099 33.462 57.354 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.592 33.750 56.478 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.687 34.138 59.374 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.686 34.129 57.607 1.00 0.00 H new ATOM 579 N GLY A 36 42.058 33.170 60.426 1.00 0.00 N ATOM 580 CA GLY A 36 42.649 31.845 60.695 1.00 0.00 C ATOM 581 C GLY A 36 42.996 31.439 62.140 1.00 0.00 C ATOM 582 O GLY A 36 42.718 32.178 63.074 1.00 0.00 O ATOM 0 H GLY A 36 41.808 33.762 61.218 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.960 31.096 60.304 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.565 31.773 60.108 1.00 0.00 H new ATOM 586 N CYS A 37 43.629 30.208 62.292 1.00 0.00 N ATOM 587 CA CYS A 37 43.990 29.685 63.624 1.00 0.00 C ATOM 588 C CYS A 37 45.389 30.246 64.051 1.00 0.00 C ATOM 589 O CYS A 37 46.419 30.055 63.406 1.00 0.00 O ATOM 590 CB CYS A 37 43.993 28.131 63.763 1.00 0.00 C ATOM 591 SG CYS A 37 45.152 27.252 62.660 1.00 0.00 S ATOM 0 H CYS A 37 43.881 29.597 61.516 1.00 0.00 H new ATOM 0 HA CYS A 37 43.195 30.031 64.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.234 27.875 64.795 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.985 27.763 63.571 1.00 0.00 H new ATOM 596 N GLY A 38 45.393 31.033 65.198 1.00 0.00 N ATOM 597 CA GLY A 38 46.664 31.514 65.725 1.00 0.00 C ATOM 598 C GLY A 38 46.306 32.072 67.116 1.00 0.00 C ATOM 599 O GLY A 38 46.200 31.352 68.107 1.00 0.00 O ATOM 0 H GLY A 38 44.564 31.314 65.722 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.397 30.710 65.794 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.095 32.284 65.085 1.00 0.00 H new ATOM 603 N CYS A 39 46.051 33.434 67.153 1.00 0.00 N ATOM 604 CA CYS A 39 45.681 34.071 68.408 1.00 0.00 C ATOM 605 C CYS A 39 46.876 34.168 69.399 1.00 0.00 C ATOM 606 O CYS A 39 48.044 34.131 69.017 1.00 0.00 O ATOM 607 CB CYS A 39 45.002 35.434 68.184 1.00 0.00 C ATOM 608 SG CYS A 39 44.510 36.273 69.723 1.00 0.00 S ATOM 0 H CYS A 39 46.101 34.058 66.347 1.00 0.00 H new ATOM 0 HA CYS A 39 44.942 33.423 68.879 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.682 36.081 67.630 1.00 0.00 H new ATOM 0 HB3 CYS A 39 44.119 35.291 67.561 1.00 0.00 H new ATOM 613 N PHE A 40 46.522 34.314 70.727 1.00 0.00 N ATOM 614 CA PHE A 40 47.500 34.360 71.810 1.00 0.00 C ATOM 615 C PHE A 40 48.566 35.477 71.473 1.00 0.00 C ATOM 616 O PHE A 40 49.755 35.285 71.716 1.00 0.00 O ATOM 617 CB PHE A 40 48.107 32.976 72.159 1.00 0.00 C ATOM 618 CG PHE A 40 47.070 31.858 72.180 1.00 0.00 C ATOM 619 CD1 PHE A 40 46.070 31.780 73.157 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.064 30.887 71.169 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.108 30.773 73.128 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.113 29.871 71.127 1.00 0.00 C ATOM 623 CZ PHE A 40 45.147 29.800 72.132 1.00 0.00 C ATOM 0 H PHE A 40 45.556 34.400 71.042 1.00 0.00 H new ATOM 0 HA PHE A 40 46.997 34.636 72.737 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.882 32.732 71.432 1.00 0.00 H new ATOM 0 HB3 PHE A 40 48.591 33.033 73.134 1.00 0.00 H new ATOM 0 HD1 PHE A 40 46.044 32.515 73.948 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.820 30.928 70.399 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.331 30.747 73.878 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.123 29.146 70.326 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.431 28.992 72.137 1.00 0.00 H new ATOM 735 N GLY A 48 47.816 43.913 65.291 1.00 0.00 N ATOM 736 CA GLY A 48 47.249 42.592 65.632 1.00 0.00 C ATOM 737 C GLY A 48 45.759 42.474 65.160 1.00 0.00 C ATOM 738 O GLY A 48 44.995 43.436 65.231 1.00 0.00 O ATOM 0 HA2 GLY A 48 47.844 41.807 65.165 1.00 0.00 H new ATOM 0 HA3 GLY A 48 47.305 42.437 66.709 1.00 0.00 H new ATOM 742 N PRO A 49 45.342 41.230 64.700 1.00 0.00 N ATOM 743 CA PRO A 49 43.925 40.954 64.470 1.00 0.00 C ATOM 744 C PRO A 49 43.216 40.845 65.857 1.00 0.00 C ATOM 745 O PRO A 49 43.846 40.718 66.909 1.00 0.00 O ATOM 746 CB PRO A 49 43.924 39.592 63.765 1.00 0.00 C ATOM 747 CG PRO A 49 45.071 38.875 64.482 1.00 0.00 C ATOM 748 CD PRO A 49 46.119 39.990 64.615 1.00 0.00 C ATOM 0 HA PRO A 49 43.413 41.719 63.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.975 39.069 63.885 1.00 0.00 H new ATOM 0 HB3 PRO A 49 44.104 39.685 62.694 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.764 38.487 65.453 1.00 0.00 H new ATOM 0 HG3 PRO A 49 45.447 38.030 63.905 1.00 0.00 H new ATOM 0 HD2 PRO A 49 46.736 39.849 65.503 1.00 0.00 H new ATOM 0 HD3 PRO A 49 46.792 40.004 63.758 1.00 0.00 H new ATOM 756 N TYR A 50 41.835 40.904 65.824 1.00 0.00 N ATOM 757 CA TYR A 50 41.063 40.775 67.072 1.00 0.00 C ATOM 758 C TYR A 50 40.604 39.279 67.218 1.00 0.00 C ATOM 759 O TYR A 50 40.311 38.607 66.228 1.00 0.00 O ATOM 760 CB TYR A 50 39.877 41.791 67.224 1.00 0.00 C ATOM 761 CG TYR A 50 38.612 41.345 66.535 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.692 40.541 67.206 1.00 0.00 C ATOM 763 CD2 TYR A 50 38.301 41.741 65.238 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.504 40.137 66.617 1.00 0.00 C ATOM 765 CE2 TYR A 50 37.109 41.369 64.637 1.00 0.00 C ATOM 766 CZ TYR A 50 36.185 40.561 65.324 1.00 0.00 C ATOM 767 OH TYR A 50 35.017 40.216 64.705 1.00 0.00 O ATOM 0 H TYR A 50 41.278 41.034 64.980 1.00 0.00 H new ATOM 0 HA TYR A 50 41.721 41.047 67.897 1.00 0.00 H new ATOM 0 HB2 TYR A 50 39.671 41.941 68.284 1.00 0.00 H new ATOM 0 HB3 TYR A 50 40.181 42.756 66.819 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.911 40.223 68.215 1.00 0.00 H new ATOM 0 HD2 TYR A 50 39.003 42.351 64.688 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.825 39.494 67.157 1.00 0.00 H new ATOM 0 HE2 TYR A 50 36.888 41.702 63.634 1.00 0.00 H new ATOM 0 HH TYR A 50 34.990 40.615 63.810 1.00 0.00 H new ATOM 777 N CYS A 51 40.552 38.753 68.505 1.00 0.00 N ATOM 778 CA CYS A 51 40.441 37.291 68.689 1.00 0.00 C ATOM 779 C CYS A 51 39.175 36.771 69.449 1.00 0.00 C ATOM 780 O CYS A 51 38.548 37.461 70.247 1.00 0.00 O ATOM 781 CB CYS A 51 41.693 36.802 69.441 1.00 0.00 C ATOM 782 SG CYS A 51 43.218 37.571 68.795 1.00 0.00 S ATOM 0 H CYS A 51 40.584 39.302 69.364 1.00 0.00 H new ATOM 0 HA CYS A 51 40.347 36.888 67.681 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.592 37.031 70.502 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.768 35.718 69.355 1.00 0.00 H new ATOM 787 N CYS A 52 38.879 35.449 69.177 1.00 0.00 N ATOM 788 CA CYS A 52 37.796 34.670 69.777 1.00 0.00 C ATOM 789 C CYS A 52 38.319 33.251 70.205 1.00 0.00 C ATOM 790 O CYS A 52 39.333 32.779 69.693 1.00 0.00 O ATOM 791 CB CYS A 52 36.655 34.528 68.787 1.00 0.00 C ATOM 792 SG CYS A 52 35.048 34.147 69.552 1.00 0.00 S ATOM 0 H CYS A 52 39.423 34.905 68.508 1.00 0.00 H new ATOM 0 HA CYS A 52 37.436 35.191 70.664 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.564 35.454 68.219 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.902 33.740 68.075 1.00 0.00 H new ATOM 797 N GLU A 53 37.580 32.544 71.140 1.00 0.00 N ATOM 798 CA GLU A 53 38.104 31.277 71.700 1.00 0.00 C ATOM 799 C GLU A 53 36.988 30.186 71.724 1.00 0.00 C ATOM 800 O GLU A 53 36.736 29.521 72.726 1.00 0.00 O ATOM 801 CB GLU A 53 38.837 31.522 73.033 1.00 0.00 C ATOM 802 CG GLU A 53 37.991 32.173 74.145 1.00 0.00 C ATOM 803 CD GLU A 53 38.873 32.587 75.310 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.061 31.944 76.326 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.433 33.777 75.096 1.00 0.00 O ATOM 0 H GLU A 53 36.667 32.829 71.494 1.00 0.00 H new ATOM 0 HA GLU A 53 38.875 30.867 71.047 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.216 30.568 73.400 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.703 32.156 72.841 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.468 33.044 73.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.230 31.473 74.488 1.00 0.00 H new ATOM 813 N SER A 54 36.386 29.984 70.502 1.00 0.00 N ATOM 814 CA SER A 54 35.401 28.958 70.176 1.00 0.00 C ATOM 815 C SER A 54 35.552 28.622 68.654 1.00 0.00 C ATOM 816 O SER A 54 36.280 29.302 67.929 1.00 0.00 O ATOM 817 CB SER A 54 33.922 29.357 70.456 1.00 0.00 C ATOM 818 OG SER A 54 32.945 28.334 70.264 1.00 0.00 O ATOM 0 H SER A 54 36.604 30.574 69.699 1.00 0.00 H new ATOM 0 HA SER A 54 35.605 28.107 70.826 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.851 29.709 71.485 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.667 30.199 69.813 1.00 0.00 H new ATOM 0 HG SER A 54 32.055 28.689 70.468 1.00 0.00 H new ATOM 824 N ASP A 55 34.860 27.519 68.174 1.00 0.00 N ATOM 825 CA ASP A 55 34.868 27.299 66.727 1.00 0.00 C ATOM 826 C ASP A 55 34.009 28.438 66.042 1.00 0.00 C ATOM 827 O ASP A 55 32.964 28.863 66.534 1.00 0.00 O ATOM 828 CB ASP A 55 34.382 25.902 66.304 1.00 0.00 C ATOM 829 CG ASP A 55 32.909 25.516 66.576 1.00 0.00 C ATOM 830 OD1 ASP A 55 32.292 26.171 67.420 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.474 24.615 65.851 1.00 0.00 O ATOM 0 H ASP A 55 34.343 26.842 68.734 1.00 0.00 H new ATOM 0 HA ASP A 55 35.904 27.345 66.390 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.558 25.801 65.233 1.00 0.00 H new ATOM 0 HB3 ASP A 55 35.014 25.167 66.802 1.00 0.00 H new ATOM 836 N LYS A 56 34.511 28.951 64.851 1.00 0.00 N ATOM 837 CA LYS A 56 33.858 29.961 64.024 1.00 0.00 C ATOM 838 C LYS A 56 33.887 31.378 64.724 1.00 0.00 C ATOM 839 O LYS A 56 34.667 32.261 64.376 1.00 0.00 O ATOM 840 CB LYS A 56 32.425 29.671 63.501 1.00 0.00 C ATOM 841 CG LYS A 56 32.260 28.354 62.713 1.00 0.00 C ATOM 842 CD LYS A 56 31.955 27.100 63.557 1.00 0.00 C ATOM 843 CE LYS A 56 30.578 27.091 64.254 1.00 0.00 C ATOM 844 NZ LYS A 56 30.632 26.303 65.571 1.00 0.00 N ATOM 0 H LYS A 56 35.403 28.643 64.463 1.00 0.00 H new ATOM 0 HA LYS A 56 34.471 29.937 63.123 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.743 29.653 64.351 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.116 30.498 62.862 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.457 28.485 61.988 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.174 28.174 62.147 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.023 26.224 62.913 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.729 26.997 64.317 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.260 28.115 64.452 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.834 26.648 63.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 29.683 26.269 65.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 30.962 25.335 65.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.288 26.771 66.229 1.00 0.00 H new ATOM 858 N CYS A 57 32.920 31.569 65.695 1.00 0.00 N ATOM 859 CA CYS A 57 32.508 32.831 66.299 1.00 0.00 C ATOM 860 C CYS A 57 31.807 33.573 65.106 1.00 0.00 C ATOM 861 O CYS A 57 32.307 34.549 64.550 1.00 0.00 O ATOM 862 CB CYS A 57 33.542 33.657 67.081 1.00 0.00 C ATOM 863 SG CYS A 57 34.320 32.638 68.371 1.00 0.00 S ATOM 0 H CYS A 57 32.397 30.781 66.077 1.00 0.00 H new ATOM 0 HA CYS A 57 31.856 32.645 67.152 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.303 34.037 66.400 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.058 34.522 67.534 1.00 0.00 H new ATOM 868 N ASN A 58 30.585 33.016 64.748 1.00 0.00 N ATOM 869 CA ASN A 58 29.650 33.402 63.677 1.00 0.00 C ATOM 870 C ASN A 58 30.150 32.800 62.335 1.00 0.00 C ATOM 871 O ASN A 58 29.470 31.974 61.729 1.00 0.00 O ATOM 872 CB ASN A 58 29.281 34.887 63.539 1.00 0.00 C ATOM 873 CG ASN A 58 27.976 35.016 62.749 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.941 34.478 63.100 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.043 35.785 61.643 1.00 0.00 N ATOM 0 H ASN A 58 30.223 32.215 65.266 1.00 0.00 H new ATOM 0 HA ASN A 58 28.693 32.978 63.980 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.168 35.338 64.525 1.00 0.00 H new ATOM 0 HB3 ASN A 58 30.081 35.426 63.031 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.210 35.931 61.072 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.926 36.221 61.378 1.00 0.00 H new ATOM 882 N LEU A 59 31.377 33.246 61.897 1.00 0.00 N ATOM 883 CA LEU A 59 32.071 32.751 60.711 1.00 0.00 C ATOM 884 C LEU A 59 33.596 33.027 61.021 1.00 0.00 C ATOM 885 O LEU A 59 33.972 34.203 60.918 1.00 0.00 O ATOM 886 CB LEU A 59 31.530 33.244 59.353 1.00 0.00 C ATOM 887 CG LEU A 59 31.661 34.718 58.895 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.352 34.779 57.389 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.729 35.686 59.633 1.00 0.00 C ATOM 890 OXT LEU A 59 34.289 32.062 61.350 1.00 0.00 O ATOM 0 H LEU A 59 31.898 33.973 62.386 1.00 0.00 H new ATOM 0 HA LEU A 59 31.894 31.688 60.548 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.008 32.635 58.586 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.467 33.004 59.334 1.00 0.00 H new ATOM 0 HG LEU A 59 32.678 35.037 59.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.438 35.809 57.041 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.060 34.153 56.847 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.339 34.419 57.211 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.881 36.697 59.255 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.693 35.390 59.469 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.949 35.661 60.700 1.00 0.00 H new