USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 496 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 MET CE :methyl -165:sc= -0.189 (180deg=-0.468) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.797 (180deg=-0.0248!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 70:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00855 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= -5.81! (180deg=-6.12!) USER MOD Single : A 22 ASN : amide:sc= -5.71! C(o=-5.7!,f=-5.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.282 USER MOD Single : A 30 THR OG1 : rot -50:sc= 0.202 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.2! USER MOD Single : A 52 SER OG : rot 180:sc= -1.87! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 64:sc= 0.82 USER MOD Single : A 63 THR OG1 : rot 66:sc= -0.587 USER MOD Single : A 65 ASN : amide:sc= -5.82 K(o=-5.8,f=-15!) USER MOD Single : A 67 ASN : amide:sc= -13! C(o=-13!,f=-20!) USER MOD Single : A 68 HIS : no HD1:sc= -4.36! X(o=-4.4!,f=-3.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.606 12.090 0.703 1.00 0.00 N ATOM 2 CA MET A 1 8.889 10.808 0.954 1.00 0.00 C ATOM 3 C MET A 1 9.840 9.637 0.725 1.00 0.00 C ATOM 4 O MET A 1 10.836 9.752 0.041 1.00 0.00 O ATOM 5 CB MET A 1 7.712 10.674 -0.013 1.00 0.00 C ATOM 6 CG MET A 1 8.245 10.637 -1.442 1.00 0.00 C ATOM 7 SD MET A 1 8.658 12.317 -1.978 1.00 0.00 S ATOM 8 CE MET A 1 10.223 11.921 -2.792 1.00 0.00 C ATOM 0 H1 MET A 1 9.427 12.748 1.489 1.00 0.00 H new ATOM 0 H2 MET A 1 10.627 11.908 0.630 1.00 0.00 H new ATOM 0 H3 MET A 1 9.265 12.510 -0.185 1.00 0.00 H new ATOM 0 HA MET A 1 8.527 10.802 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.149 9.766 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.025 11.511 0.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.128 10.000 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.499 10.205 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.785 12.839 -2.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.805 11.254 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.024 11.432 -3.745 1.00 0.00 H new ATOM 20 N GLN A 2 9.524 8.504 1.281 1.00 0.00 N ATOM 21 CA GLN A 2 10.381 7.311 1.092 1.00 0.00 C ATOM 22 C GLN A 2 9.554 6.077 1.415 1.00 0.00 C ATOM 23 O GLN A 2 9.669 5.511 2.478 1.00 0.00 O ATOM 24 CB GLN A 2 11.597 7.361 2.026 1.00 0.00 C ATOM 25 CG GLN A 2 11.895 8.808 2.427 1.00 0.00 C ATOM 26 CD GLN A 2 12.896 8.820 3.582 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.562 9.197 4.688 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.120 8.419 3.372 1.00 0.00 N ATOM 0 H GLN A 2 8.700 8.355 1.863 1.00 0.00 H new ATOM 0 HA GLN A 2 10.739 7.282 0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.406 6.761 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.465 6.927 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.299 9.357 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.975 9.311 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.401 8.102 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.796 8.422 4.136 1.00 0.00 H new ATOM 37 N CYS A 3 8.717 5.652 0.515 1.00 0.00 N ATOM 38 CA CYS A 3 7.891 4.450 0.801 1.00 0.00 C ATOM 39 C CYS A 3 7.996 3.456 -0.357 1.00 0.00 C ATOM 40 O CYS A 3 7.987 3.827 -1.514 1.00 0.00 O ATOM 41 CB CYS A 3 6.421 4.847 1.032 1.00 0.00 C ATOM 42 SG CYS A 3 5.417 3.344 1.089 1.00 0.00 S ATOM 0 H CYS A 3 8.569 6.080 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 3 8.266 3.977 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.322 5.403 1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.076 5.502 0.232 1.00 0.00 H new ATOM 47 N LYS A 4 8.104 2.191 -0.047 1.00 0.00 N ATOM 48 CA LYS A 4 8.218 1.163 -1.118 1.00 0.00 C ATOM 49 C LYS A 4 6.824 0.669 -1.503 1.00 0.00 C ATOM 50 O LYS A 4 5.833 1.060 -0.919 1.00 0.00 O ATOM 51 CB LYS A 4 9.052 -0.018 -0.611 1.00 0.00 C ATOM 52 CG LYS A 4 10.520 0.197 -0.981 1.00 0.00 C ATOM 53 CD LYS A 4 10.659 0.254 -2.505 1.00 0.00 C ATOM 54 CE LYS A 4 11.304 -1.038 -3.009 1.00 0.00 C ATOM 55 NZ LYS A 4 11.000 -1.211 -4.458 1.00 0.00 N ATOM 0 H LYS A 4 8.118 1.826 0.905 1.00 0.00 H new ATOM 0 HA LYS A 4 8.703 1.603 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.949 -0.112 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.688 -0.948 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.886 1.123 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.130 -0.612 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.680 0.387 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.266 1.112 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.382 -1.004 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.928 -1.890 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.438 -2.089 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.970 -1.262 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.380 -0.403 -4.991 1.00 0.00 H new ATOM 69 N THR A 5 6.739 -0.185 -2.486 1.00 0.00 N ATOM 70 CA THR A 5 5.408 -0.699 -2.912 1.00 0.00 C ATOM 71 C THR A 5 5.562 -2.105 -3.495 1.00 0.00 C ATOM 72 O THR A 5 5.097 -2.391 -4.581 1.00 0.00 O ATOM 73 CB THR A 5 4.819 0.235 -3.974 1.00 0.00 C ATOM 74 OG1 THR A 5 5.384 -0.075 -5.240 1.00 0.00 O ATOM 75 CG2 THR A 5 5.139 1.687 -3.610 1.00 0.00 C ATOM 0 H THR A 5 7.534 -0.549 -3.012 1.00 0.00 H new ATOM 0 HA THR A 5 4.741 -0.738 -2.051 1.00 0.00 H new ATOM 0 HB THR A 5 3.738 0.103 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.049 -0.944 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.720 2.352 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.705 1.923 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.220 1.822 -3.567 1.00 0.00 H new ATOM 83 N CYS A 6 6.206 -2.987 -2.781 1.00 0.00 N ATOM 84 CA CYS A 6 6.382 -4.375 -3.294 1.00 0.00 C ATOM 85 C CYS A 6 5.172 -5.219 -2.892 1.00 0.00 C ATOM 86 O CYS A 6 4.444 -4.881 -1.978 1.00 0.00 O ATOM 87 CB CYS A 6 7.651 -4.987 -2.693 1.00 0.00 C ATOM 88 SG CYS A 6 9.045 -3.864 -2.953 1.00 0.00 S ATOM 0 H CYS A 6 6.618 -2.807 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 6 6.470 -4.353 -4.380 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.510 -5.168 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.857 -5.952 -3.156 1.00 0.00 H new ATOM 93 N SER A 7 4.949 -6.314 -3.563 1.00 0.00 N ATOM 94 CA SER A 7 3.784 -7.174 -3.213 1.00 0.00 C ATOM 95 C SER A 7 3.918 -7.641 -1.763 1.00 0.00 C ATOM 96 O SER A 7 2.939 -7.833 -1.069 1.00 0.00 O ATOM 97 CB SER A 7 3.749 -8.390 -4.141 1.00 0.00 C ATOM 98 OG SER A 7 2.406 -8.637 -4.537 1.00 0.00 O ATOM 0 H SER A 7 5.522 -6.650 -4.337 1.00 0.00 H new ATOM 0 HA SER A 7 2.862 -6.605 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.372 -8.212 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.157 -9.263 -3.632 1.00 0.00 H new ATOM 0 HG SER A 7 2.378 -9.414 -5.133 1.00 0.00 H new ATOM 104 N PHE A 8 5.124 -7.824 -1.299 1.00 0.00 N ATOM 105 CA PHE A 8 5.324 -8.277 0.106 1.00 0.00 C ATOM 106 C PHE A 8 5.025 -7.123 1.066 1.00 0.00 C ATOM 107 O PHE A 8 4.843 -5.993 0.658 1.00 0.00 O ATOM 108 CB PHE A 8 6.772 -8.729 0.295 1.00 0.00 C ATOM 109 CG PHE A 8 7.197 -9.574 -0.882 1.00 0.00 C ATOM 110 CD1 PHE A 8 6.902 -10.943 -0.905 1.00 0.00 C ATOM 111 CD2 PHE A 8 7.887 -8.988 -1.950 1.00 0.00 C ATOM 112 CE1 PHE A 8 7.298 -11.725 -1.997 1.00 0.00 C ATOM 113 CE2 PHE A 8 8.283 -9.770 -3.040 1.00 0.00 C ATOM 114 CZ PHE A 8 7.989 -11.139 -3.065 1.00 0.00 C ATOM 0 H PHE A 8 5.981 -7.679 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 8 4.651 -9.108 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.425 -7.861 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.868 -9.300 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.370 -11.395 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.114 -7.932 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.070 -12.781 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.816 -9.318 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.295 -11.742 -3.907 1.00 0.00 H new ATOM 124 N TYR A 9 4.979 -7.400 2.341 1.00 0.00 N ATOM 125 CA TYR A 9 4.696 -6.320 3.333 1.00 0.00 C ATOM 126 C TYR A 9 6.002 -5.916 4.020 1.00 0.00 C ATOM 127 O TYR A 9 6.038 -5.666 5.208 1.00 0.00 O ATOM 128 CB TYR A 9 3.699 -6.811 4.396 1.00 0.00 C ATOM 129 CG TYR A 9 3.347 -8.264 4.166 1.00 0.00 C ATOM 130 CD1 TYR A 9 4.193 -9.275 4.640 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.175 -8.597 3.478 1.00 0.00 C ATOM 132 CE1 TYR A 9 3.864 -10.619 4.425 1.00 0.00 C ATOM 133 CE2 TYR A 9 1.847 -9.940 3.263 1.00 0.00 C ATOM 134 CZ TYR A 9 2.691 -10.952 3.737 1.00 0.00 C ATOM 135 OH TYR A 9 2.366 -12.276 3.524 1.00 0.00 O ATOM 0 H TYR A 9 5.125 -8.327 2.740 1.00 0.00 H new ATOM 0 HA TYR A 9 4.263 -5.467 2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.129 -6.689 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.795 -6.203 4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.098 -9.018 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.523 -7.817 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.515 -11.399 4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.943 -10.196 2.731 1.00 0.00 H new ATOM 0 HH TYR A 9 1.520 -12.330 3.032 1.00 0.00 H new ATOM 145 N THR A 10 7.075 -5.854 3.282 1.00 0.00 N ATOM 146 CA THR A 10 8.380 -5.470 3.892 1.00 0.00 C ATOM 147 C THR A 10 9.437 -5.343 2.790 1.00 0.00 C ATOM 148 O THR A 10 10.102 -6.298 2.444 1.00 0.00 O ATOM 149 CB THR A 10 8.821 -6.536 4.908 1.00 0.00 C ATOM 150 OG1 THR A 10 10.218 -6.755 4.783 1.00 0.00 O ATOM 151 CG2 THR A 10 8.075 -7.850 4.653 1.00 0.00 C ATOM 0 H THR A 10 7.105 -6.053 2.282 1.00 0.00 H new ATOM 0 HA THR A 10 8.269 -4.515 4.406 1.00 0.00 H new ATOM 0 HB THR A 10 8.590 -6.186 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.409 -7.159 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.396 -8.597 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.002 -7.685 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.296 -8.204 3.646 1.00 0.00 H new ATOM 159 N CYS A 11 9.592 -4.171 2.237 1.00 0.00 N ATOM 160 CA CYS A 11 10.602 -3.979 1.157 1.00 0.00 C ATOM 161 C CYS A 11 11.678 -2.995 1.633 1.00 0.00 C ATOM 162 O CYS A 11 11.559 -1.803 1.431 1.00 0.00 O ATOM 163 CB CYS A 11 9.913 -3.416 -0.088 1.00 0.00 C ATOM 164 SG CYS A 11 10.383 -4.397 -1.537 1.00 0.00 S ATOM 0 H CYS A 11 9.062 -3.336 2.487 1.00 0.00 H new ATOM 0 HA CYS A 11 11.065 -4.936 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.831 -3.436 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.197 -2.374 -0.234 1.00 0.00 H new ATOM 169 N PRO A 12 12.699 -3.531 2.256 1.00 0.00 N ATOM 170 CA PRO A 12 13.820 -2.737 2.781 1.00 0.00 C ATOM 171 C PRO A 12 14.803 -2.416 1.653 1.00 0.00 C ATOM 172 O PRO A 12 15.797 -1.747 1.851 1.00 0.00 O ATOM 173 CB PRO A 12 14.464 -3.669 3.811 1.00 0.00 C ATOM 174 CG PRO A 12 14.053 -5.109 3.416 1.00 0.00 C ATOM 175 CD PRO A 12 12.826 -4.981 2.492 1.00 0.00 C ATOM 0 HA PRO A 12 13.514 -1.782 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.549 -3.560 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.122 -3.430 4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.870 -5.619 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.812 -5.699 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.972 -5.525 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.930 -5.388 2.961 1.00 0.00 H new ATOM 183 N ASN A 13 14.530 -2.895 0.472 1.00 0.00 N ATOM 184 CA ASN A 13 15.445 -2.627 -0.673 1.00 0.00 C ATOM 185 C ASN A 13 15.567 -1.116 -0.894 1.00 0.00 C ATOM 186 O ASN A 13 16.589 -0.520 -0.616 1.00 0.00 O ATOM 187 CB ASN A 13 14.880 -3.282 -1.934 1.00 0.00 C ATOM 188 CG ASN A 13 15.790 -2.974 -3.124 1.00 0.00 C ATOM 189 OD1 ASN A 13 16.998 -3.062 -3.018 1.00 0.00 O ATOM 190 ND2 ASN A 13 15.260 -2.614 -4.260 1.00 0.00 N ATOM 0 H ASN A 13 13.712 -3.461 0.249 1.00 0.00 H new ATOM 0 HA ASN A 13 16.430 -3.039 -0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.802 -4.360 -1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.873 -2.912 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.859 -2.406 -5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.247 -2.540 -4.349 1.00 0.00 H new ATOM 197 N SER A 14 14.535 -0.492 -1.392 1.00 0.00 N ATOM 198 CA SER A 14 14.594 0.979 -1.630 1.00 0.00 C ATOM 199 C SER A 14 13.735 1.699 -0.588 1.00 0.00 C ATOM 200 O SER A 14 13.235 1.092 0.336 1.00 0.00 O ATOM 201 CB SER A 14 14.067 1.291 -3.032 1.00 0.00 C ATOM 202 OG SER A 14 15.155 1.321 -3.948 1.00 0.00 O ATOM 0 H SER A 14 13.653 -0.937 -1.645 1.00 0.00 H new ATOM 0 HA SER A 14 15.626 1.320 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.341 0.537 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.549 2.250 -3.033 1.00 0.00 H new ATOM 0 HG SER A 14 14.820 1.519 -4.847 1.00 0.00 H new ATOM 208 N GLU A 15 13.562 2.987 -0.728 1.00 0.00 N ATOM 209 CA GLU A 15 12.737 3.746 0.261 1.00 0.00 C ATOM 210 C GLU A 15 12.284 5.071 -0.358 1.00 0.00 C ATOM 211 O GLU A 15 11.104 5.327 -0.528 1.00 0.00 O ATOM 212 CB GLU A 15 13.572 4.046 1.515 1.00 0.00 C ATOM 213 CG GLU A 15 15.063 4.021 1.170 1.00 0.00 C ATOM 214 CD GLU A 15 15.797 5.082 1.993 1.00 0.00 C ATOM 215 OE1 GLU A 15 15.915 4.896 3.193 1.00 0.00 O ATOM 216 OE2 GLU A 15 16.227 6.064 1.409 1.00 0.00 O ATOM 0 H GLU A 15 13.956 3.547 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 15 11.869 3.145 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.300 5.021 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.357 3.310 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.478 3.034 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.204 4.210 0.106 1.00 0.00 H new ATOM 223 N THR A 16 13.225 5.918 -0.674 1.00 0.00 N ATOM 224 CA THR A 16 12.896 7.246 -1.263 1.00 0.00 C ATOM 225 C THR A 16 12.121 7.084 -2.574 1.00 0.00 C ATOM 226 O THR A 16 12.562 6.425 -3.494 1.00 0.00 O ATOM 227 CB THR A 16 14.193 8.007 -1.541 1.00 0.00 C ATOM 228 OG1 THR A 16 15.040 7.929 -0.403 1.00 0.00 O ATOM 229 CG2 THR A 16 13.874 9.470 -1.845 1.00 0.00 C ATOM 0 H THR A 16 14.222 5.743 -0.547 1.00 0.00 H new ATOM 0 HA THR A 16 12.276 7.796 -0.555 1.00 0.00 H new ATOM 0 HB THR A 16 14.698 7.563 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.872 8.415 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.800 10.011 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.226 9.527 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.368 9.917 -0.989 1.00 0.00 H new ATOM 237 N CYS A 17 10.978 7.709 -2.668 1.00 0.00 N ATOM 238 CA CYS A 17 10.170 7.632 -3.920 1.00 0.00 C ATOM 239 C CYS A 17 10.728 8.660 -4.906 1.00 0.00 C ATOM 240 O CYS A 17 11.455 9.551 -4.513 1.00 0.00 O ATOM 241 CB CYS A 17 8.707 7.960 -3.589 1.00 0.00 C ATOM 242 SG CYS A 17 7.955 6.577 -2.700 1.00 0.00 S ATOM 0 H CYS A 17 10.566 8.274 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 17 10.220 6.634 -4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.656 8.865 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.153 8.159 -4.506 1.00 0.00 H new ATOM 247 N PRO A 18 10.380 8.512 -6.156 1.00 0.00 N ATOM 248 CA PRO A 18 10.849 9.429 -7.208 1.00 0.00 C ATOM 249 C PRO A 18 10.204 10.815 -7.053 1.00 0.00 C ATOM 250 O PRO A 18 9.390 11.036 -6.178 1.00 0.00 O ATOM 251 CB PRO A 18 10.447 8.725 -8.506 1.00 0.00 C ATOM 252 CG PRO A 18 9.327 7.727 -8.138 1.00 0.00 C ATOM 253 CD PRO A 18 9.487 7.435 -6.634 1.00 0.00 C ATOM 0 HA PRO A 18 11.921 9.623 -7.173 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.097 9.445 -9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.299 8.206 -8.945 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.345 8.149 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.414 6.812 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.527 7.454 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.921 6.450 -6.462 1.00 0.00 H new ATOM 261 N ASP A 19 10.599 11.761 -7.865 1.00 0.00 N ATOM 262 CA ASP A 19 10.046 13.145 -7.730 1.00 0.00 C ATOM 263 C ASP A 19 8.678 13.276 -8.401 1.00 0.00 C ATOM 264 O ASP A 19 8.563 13.716 -9.527 1.00 0.00 O ATOM 265 CB ASP A 19 11.009 14.140 -8.371 1.00 0.00 C ATOM 266 CG ASP A 19 12.439 13.824 -7.932 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.016 12.900 -8.481 1.00 0.00 O ATOM 268 OD2 ASP A 19 12.934 14.512 -7.054 1.00 0.00 O ATOM 0 H ASP A 19 11.279 11.637 -8.615 1.00 0.00 H new ATOM 0 HA ASP A 19 9.927 13.355 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.931 14.089 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.745 15.157 -8.080 1.00 0.00 H new ATOM 273 N GLY A 20 7.643 12.929 -7.697 1.00 0.00 N ATOM 274 CA GLY A 20 6.268 13.060 -8.257 1.00 0.00 C ATOM 275 C GLY A 20 5.269 13.009 -7.108 1.00 0.00 C ATOM 276 O GLY A 20 4.743 14.015 -6.674 1.00 0.00 O ATOM 0 H GLY A 20 7.687 12.556 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.169 13.998 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.070 12.256 -8.966 1.00 0.00 H new ATOM 280 N LYS A 21 5.024 11.839 -6.599 1.00 0.00 N ATOM 281 CA LYS A 21 4.087 11.700 -5.463 1.00 0.00 C ATOM 282 C LYS A 21 4.814 12.104 -4.184 1.00 0.00 C ATOM 283 O LYS A 21 5.764 12.851 -4.238 1.00 0.00 O ATOM 284 CB LYS A 21 3.593 10.258 -5.388 1.00 0.00 C ATOM 285 CG LYS A 21 4.603 9.359 -4.671 1.00 0.00 C ATOM 286 CD LYS A 21 6.040 9.661 -5.106 1.00 0.00 C ATOM 287 CE LYS A 21 6.342 8.949 -6.423 1.00 0.00 C ATOM 288 NZ LYS A 21 7.348 9.741 -7.186 1.00 0.00 N ATOM 0 H LYS A 21 5.438 10.966 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 21 3.219 12.347 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.638 10.226 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.417 9.879 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.512 9.497 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.372 8.314 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.176 10.736 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.739 9.334 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.721 7.946 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.429 8.837 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.508 9.298 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.996 10.710 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.243 9.768 -6.656 1.00 0.00 H new ATOM 302 N ASN A 22 4.396 11.636 -3.043 1.00 0.00 N ATOM 303 CA ASN A 22 5.109 12.066 -1.798 1.00 0.00 C ATOM 304 C ASN A 22 4.679 11.275 -0.555 1.00 0.00 C ATOM 305 O ASN A 22 4.655 11.826 0.527 1.00 0.00 O ATOM 306 CB ASN A 22 4.766 13.536 -1.538 1.00 0.00 C ATOM 307 CG ASN A 22 5.762 14.443 -2.268 1.00 0.00 C ATOM 308 OD1 ASN A 22 6.878 14.626 -1.824 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.396 15.022 -3.386 1.00 0.00 N ATOM 0 H ASN A 22 3.615 10.993 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 22 6.173 11.895 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.752 13.747 -1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.792 13.740 -0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.049 15.627 -3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.459 14.867 -3.757 1.00 0.00 H new ATOM 316 N ILE A 23 4.323 10.023 -0.648 1.00 0.00 N ATOM 317 CA ILE A 23 3.904 9.346 0.607 1.00 0.00 C ATOM 318 C ILE A 23 3.901 7.820 0.496 1.00 0.00 C ATOM 319 O ILE A 23 4.195 7.236 -0.528 1.00 0.00 O ATOM 320 CB ILE A 23 2.507 9.869 0.969 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.590 10.548 2.322 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.461 8.741 1.029 1.00 0.00 C ATOM 323 CD1 ILE A 23 1.212 11.072 2.679 1.00 0.00 C ATOM 0 H ILE A 23 4.304 9.461 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 23 4.627 9.577 1.389 1.00 0.00 H new ATOM 0 HB ILE A 23 2.189 10.566 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.936 9.844 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.311 11.365 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.489 9.160 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.398 8.252 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.755 8.012 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.251 11.565 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.887 11.786 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.507 10.242 2.721 1.00 0.00 H new ATOM 335 N CYS A 24 3.518 7.194 1.580 1.00 0.00 N ATOM 336 CA CYS A 24 3.418 5.717 1.641 1.00 0.00 C ATOM 337 C CYS A 24 1.938 5.341 1.616 1.00 0.00 C ATOM 338 O CYS A 24 1.237 5.537 2.585 1.00 0.00 O ATOM 339 CB CYS A 24 4.016 5.247 2.962 1.00 0.00 C ATOM 340 SG CYS A 24 4.452 3.494 2.851 1.00 0.00 S ATOM 0 H CYS A 24 3.264 7.667 2.448 1.00 0.00 H new ATOM 0 HA CYS A 24 3.945 5.259 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.901 5.837 3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.302 5.403 3.770 1.00 0.00 H new ATOM 345 N VAL A 25 1.443 4.819 0.531 1.00 0.00 N ATOM 346 CA VAL A 25 -0.004 4.473 0.500 1.00 0.00 C ATOM 347 C VAL A 25 -0.210 2.984 0.219 1.00 0.00 C ATOM 348 O VAL A 25 0.535 2.359 -0.510 1.00 0.00 O ATOM 349 CB VAL A 25 -0.705 5.316 -0.574 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.069 6.704 -0.616 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.569 4.660 -1.956 1.00 0.00 C ATOM 0 H VAL A 25 1.966 4.619 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.435 4.690 1.477 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.763 5.390 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.563 7.308 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.180 7.184 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.990 6.612 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.073 5.275 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.486 4.570 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.023 3.669 -1.935 1.00 0.00 H new ATOM 361 N LYS A 26 -1.240 2.427 0.785 1.00 0.00 N ATOM 362 CA LYS A 26 -1.546 0.992 0.552 1.00 0.00 C ATOM 363 C LYS A 26 -3.057 0.809 0.672 1.00 0.00 C ATOM 364 O LYS A 26 -3.716 1.524 1.403 1.00 0.00 O ATOM 365 CB LYS A 26 -0.827 0.121 1.588 1.00 0.00 C ATOM 366 CG LYS A 26 -1.439 0.338 2.973 1.00 0.00 C ATOM 367 CD LYS A 26 -1.437 -0.985 3.742 1.00 0.00 C ATOM 368 CE LYS A 26 -2.213 -0.818 5.049 1.00 0.00 C ATOM 369 NZ LYS A 26 -2.526 -2.161 5.613 1.00 0.00 N ATOM 0 H LYS A 26 -1.890 2.910 1.406 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.204 0.690 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.905 -0.930 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.235 0.368 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.871 1.090 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.457 0.715 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.889 -1.770 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.413 -1.294 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.626 -0.240 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.134 -0.263 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.054 -2.050 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.102 -2.697 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.641 -2.675 5.798 1.00 0.00 H new ATOM 383 N ARG A 27 -3.622 -0.126 -0.033 1.00 0.00 N ATOM 384 CA ARG A 27 -5.091 -0.318 0.064 1.00 0.00 C ATOM 385 C ARG A 27 -5.392 -1.736 0.540 1.00 0.00 C ATOM 386 O ARG A 27 -4.525 -2.585 0.579 1.00 0.00 O ATOM 387 CB ARG A 27 -5.736 -0.087 -1.301 1.00 0.00 C ATOM 388 CG ARG A 27 -6.169 1.376 -1.423 1.00 0.00 C ATOM 389 CD ARG A 27 -5.768 1.917 -2.796 1.00 0.00 C ATOM 390 NE ARG A 27 -6.322 3.289 -2.970 1.00 0.00 N ATOM 391 CZ ARG A 27 -6.339 3.843 -4.152 1.00 0.00 C ATOM 392 NH1 ARG A 27 -5.231 3.971 -4.829 1.00 0.00 N ATOM 393 NH2 ARG A 27 -7.465 4.267 -4.657 1.00 0.00 N ATOM 0 H ARG A 27 -3.136 -0.760 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.499 0.398 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.031 -0.336 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.598 -0.743 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.248 1.459 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.704 1.970 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.682 1.937 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.142 1.260 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.689 3.796 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.351 3.638 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.245 4.404 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.331 4.166 -4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.479 4.700 -5.580 1.00 0.00 H new ATOM 407 N SER A 28 -6.614 -2.003 0.911 1.00 0.00 N ATOM 408 CA SER A 28 -6.953 -3.368 1.387 1.00 0.00 C ATOM 409 C SER A 28 -8.461 -3.595 1.298 1.00 0.00 C ATOM 410 O SER A 28 -9.241 -2.898 1.919 1.00 0.00 O ATOM 411 CB SER A 28 -6.494 -3.529 2.837 1.00 0.00 C ATOM 412 OG SER A 28 -7.601 -3.326 3.706 1.00 0.00 O ATOM 0 H SER A 28 -7.387 -1.337 0.904 1.00 0.00 H new ATOM 0 HA SER A 28 -6.447 -4.102 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.075 -4.524 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.704 -2.812 3.062 1.00 0.00 H new ATOM 0 HG SER A 28 -7.310 -3.430 4.636 1.00 0.00 H new ATOM 418 N TRP A 29 -8.862 -4.577 0.526 1.00 0.00 N ATOM 419 CA TRP A 29 -10.310 -4.909 0.381 1.00 0.00 C ATOM 420 C TRP A 29 -10.441 -6.423 0.408 1.00 0.00 C ATOM 421 O TRP A 29 -9.463 -7.115 0.518 1.00 0.00 O ATOM 422 CB TRP A 29 -10.892 -4.325 -0.923 1.00 0.00 C ATOM 423 CG TRP A 29 -10.040 -4.653 -2.099 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.398 -5.449 -3.116 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.718 -4.171 -2.407 1.00 0.00 C ATOM 426 NE1 TRP A 29 -9.381 -5.484 -4.043 1.00 0.00 N ATOM 427 CE2 TRP A 29 -8.314 -4.714 -3.645 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.841 -3.325 -1.734 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -7.079 -4.421 -4.198 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.587 -3.027 -2.279 1.00 0.00 C ATOM 431 CH2 TRP A 29 -6.207 -3.575 -3.515 1.00 0.00 C ATOM 0 H TRP A 29 -8.235 -5.170 -0.017 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.878 -4.466 1.199 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.897 -4.716 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.982 -3.243 -0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.336 -5.979 -3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.415 -6.014 -4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -8.130 -2.896 -0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.794 -4.844 -5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.910 -2.374 -1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.240 -3.341 -3.936 1.00 0.00 H new ATOM 442 N THR A 30 -11.628 -6.947 0.348 1.00 0.00 N ATOM 443 CA THR A 30 -11.782 -8.424 0.409 1.00 0.00 C ATOM 444 C THR A 30 -12.575 -8.911 -0.801 1.00 0.00 C ATOM 445 O THR A 30 -13.229 -9.935 -0.773 1.00 0.00 O ATOM 446 CB THR A 30 -12.520 -8.779 1.692 1.00 0.00 C ATOM 447 OG1 THR A 30 -12.379 -10.168 1.956 1.00 0.00 O ATOM 448 CG2 THR A 30 -13.998 -8.426 1.539 1.00 0.00 C ATOM 0 H THR A 30 -12.497 -6.420 0.260 1.00 0.00 H new ATOM 0 HA THR A 30 -10.803 -8.904 0.399 1.00 0.00 H new ATOM 0 HB THR A 30 -12.098 -8.215 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.606 -10.679 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.529 -8.679 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.099 -7.358 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.422 -8.988 0.707 1.00 0.00 H new ATOM 456 N ALA A 31 -12.517 -8.165 -1.851 1.00 0.00 N ATOM 457 CA ALA A 31 -13.253 -8.520 -3.093 1.00 0.00 C ATOM 458 C ALA A 31 -12.807 -9.897 -3.597 1.00 0.00 C ATOM 459 O ALA A 31 -13.508 -10.548 -4.346 1.00 0.00 O ATOM 460 CB ALA A 31 -12.945 -7.468 -4.160 1.00 0.00 C ATOM 0 H ALA A 31 -11.979 -7.301 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.323 -8.550 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.478 -7.714 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.264 -6.487 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.873 -7.452 -4.356 1.00 0.00 H new ATOM 466 N VAL A 32 -11.650 -10.347 -3.197 1.00 0.00 N ATOM 467 CA VAL A 32 -11.176 -11.681 -3.664 1.00 0.00 C ATOM 468 C VAL A 32 -11.485 -12.737 -2.600 1.00 0.00 C ATOM 469 O VAL A 32 -10.972 -12.693 -1.499 1.00 0.00 O ATOM 470 CB VAL A 32 -9.667 -11.632 -3.913 1.00 0.00 C ATOM 471 CG1 VAL A 32 -8.938 -11.392 -2.590 1.00 0.00 C ATOM 472 CG2 VAL A 32 -9.206 -12.963 -4.514 1.00 0.00 C ATOM 0 H VAL A 32 -11.015 -9.852 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.687 -11.941 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.440 -10.821 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.863 -11.357 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.266 -10.445 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.165 -12.202 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.131 -12.929 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.434 -13.773 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.724 -13.135 -5.457 1.00 0.00 H new ATOM 482 N ARG A 33 -12.322 -13.686 -2.920 1.00 0.00 N ATOM 483 CA ARG A 33 -12.666 -14.747 -1.931 1.00 0.00 C ATOM 484 C ARG A 33 -13.219 -15.970 -2.668 1.00 0.00 C ATOM 485 O ARG A 33 -14.397 -16.057 -2.949 1.00 0.00 O ATOM 486 CB ARG A 33 -13.723 -14.216 -0.957 1.00 0.00 C ATOM 487 CG ARG A 33 -14.920 -13.677 -1.744 1.00 0.00 C ATOM 488 CD ARG A 33 -14.972 -12.152 -1.618 1.00 0.00 C ATOM 489 NE ARG A 33 -15.925 -11.603 -2.623 1.00 0.00 N ATOM 490 CZ ARG A 33 -17.003 -10.982 -2.228 1.00 0.00 C ATOM 491 NH1 ARG A 33 -16.914 -9.789 -1.709 1.00 0.00 N ATOM 492 NH2 ARG A 33 -18.168 -11.557 -2.352 1.00 0.00 N ATOM 0 H ARG A 33 -12.783 -13.772 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.772 -15.030 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.045 -15.011 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.297 -13.427 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.837 -13.963 -2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.844 -14.115 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.285 -11.870 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.979 -11.729 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.735 -11.712 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.002 -9.342 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.756 -9.303 -1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -18.235 -12.491 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.011 -11.073 -2.044 1.00 0.00 H new ATOM 506 N GLY A 34 -12.376 -16.917 -2.985 1.00 0.00 N ATOM 507 CA GLY A 34 -12.856 -18.130 -3.704 1.00 0.00 C ATOM 508 C GLY A 34 -12.469 -19.382 -2.915 1.00 0.00 C ATOM 509 O GLY A 34 -13.307 -20.183 -2.553 1.00 0.00 O ATOM 0 H GLY A 34 -11.378 -16.902 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.938 -18.087 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.421 -18.169 -4.703 1.00 0.00 H new ATOM 513 N ASP A 35 -11.203 -19.558 -2.644 1.00 0.00 N ATOM 514 CA ASP A 35 -10.767 -20.761 -1.877 1.00 0.00 C ATOM 515 C ASP A 35 -10.423 -20.353 -0.443 1.00 0.00 C ATOM 516 O ASP A 35 -10.277 -21.183 0.431 1.00 0.00 O ATOM 517 CB ASP A 35 -9.532 -21.374 -2.542 1.00 0.00 C ATOM 518 CG ASP A 35 -8.462 -20.297 -2.727 1.00 0.00 C ATOM 519 OD1 ASP A 35 -7.747 -20.030 -1.775 1.00 0.00 O ATOM 520 OD2 ASP A 35 -8.374 -19.758 -3.817 1.00 0.00 O ATOM 0 H ASP A 35 -10.454 -18.923 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.573 -21.494 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.142 -22.187 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.801 -21.803 -3.507 1.00 0.00 H new ATOM 525 N GLY A 36 -10.293 -19.078 -0.195 1.00 0.00 N ATOM 526 CA GLY A 36 -9.961 -18.617 1.179 1.00 0.00 C ATOM 527 C GLY A 36 -10.138 -17.098 1.260 1.00 0.00 C ATOM 528 O GLY A 36 -10.079 -16.415 0.259 1.00 0.00 O ATOM 0 H GLY A 36 -10.403 -18.337 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.607 -19.109 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.935 -18.889 1.428 1.00 0.00 H new ATOM 532 N PRO A 37 -10.352 -16.617 2.459 1.00 0.00 N ATOM 533 CA PRO A 37 -10.543 -15.179 2.712 1.00 0.00 C ATOM 534 C PRO A 37 -9.198 -14.450 2.694 1.00 0.00 C ATOM 535 O PRO A 37 -8.242 -14.874 3.312 1.00 0.00 O ATOM 536 CB PRO A 37 -11.169 -15.142 4.109 1.00 0.00 C ATOM 537 CG PRO A 37 -10.780 -16.472 4.796 1.00 0.00 C ATOM 538 CD PRO A 37 -10.418 -17.460 3.670 1.00 0.00 C ATOM 0 HA PRO A 37 -11.162 -14.688 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.800 -14.288 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.252 -15.039 4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.936 -16.327 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.606 -16.854 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.466 -17.954 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.169 -18.243 3.570 1.00 0.00 H new ATOM 546 N LYS A 38 -9.116 -13.355 1.989 1.00 0.00 N ATOM 547 CA LYS A 38 -7.834 -12.601 1.933 1.00 0.00 C ATOM 548 C LYS A 38 -8.115 -11.149 1.545 1.00 0.00 C ATOM 549 O LYS A 38 -8.850 -10.874 0.617 1.00 0.00 O ATOM 550 CB LYS A 38 -6.911 -13.240 0.892 1.00 0.00 C ATOM 551 CG LYS A 38 -5.690 -13.840 1.593 1.00 0.00 C ATOM 552 CD LYS A 38 -4.601 -14.136 0.561 1.00 0.00 C ATOM 553 CE LYS A 38 -3.228 -14.095 1.238 1.00 0.00 C ATOM 554 NZ LYS A 38 -2.226 -14.777 0.372 1.00 0.00 N ATOM 0 H LYS A 38 -9.882 -12.951 1.450 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.352 -12.629 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.446 -14.015 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.595 -12.493 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.313 -13.148 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.970 -14.756 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.767 -15.115 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.642 -13.404 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.929 -13.062 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.276 -14.584 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.294 -14.749 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.510 -15.767 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.174 -14.292 -0.547 1.00 0.00 H new ATOM 568 N ARG A 39 -7.536 -10.216 2.251 1.00 0.00 N ATOM 569 CA ARG A 39 -7.769 -8.786 1.928 1.00 0.00 C ATOM 570 C ARG A 39 -6.905 -8.380 0.738 1.00 0.00 C ATOM 571 O ARG A 39 -5.719 -8.157 0.863 1.00 0.00 O ATOM 572 CB ARG A 39 -7.410 -7.919 3.134 1.00 0.00 C ATOM 573 CG ARG A 39 -8.672 -7.239 3.663 1.00 0.00 C ATOM 574 CD ARG A 39 -8.845 -7.563 5.149 1.00 0.00 C ATOM 575 NE ARG A 39 -7.555 -7.341 5.861 1.00 0.00 N ATOM 576 CZ ARG A 39 -7.206 -6.136 6.225 1.00 0.00 C ATOM 577 NH1 ARG A 39 -7.956 -5.463 7.055 1.00 0.00 N ATOM 578 NH2 ARG A 39 -6.110 -5.604 5.759 1.00 0.00 N ATOM 0 H ARG A 39 -6.911 -10.386 3.039 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.821 -8.644 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.959 -8.531 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.671 -7.169 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.603 -6.160 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.543 -7.579 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.624 -6.934 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.167 -8.597 5.271 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.943 -8.131 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.814 -5.878 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.684 -4.522 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.524 -6.129 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.839 -4.663 6.044 1.00 0.00 H new ATOM 592 N GLU A 40 -7.506 -8.276 -0.408 1.00 0.00 N ATOM 593 CA GLU A 40 -6.761 -7.873 -1.628 1.00 0.00 C ATOM 594 C GLU A 40 -6.091 -6.529 -1.367 1.00 0.00 C ATOM 595 O GLU A 40 -6.648 -5.499 -1.647 1.00 0.00 O ATOM 596 CB GLU A 40 -7.781 -7.704 -2.755 1.00 0.00 C ATOM 597 CG GLU A 40 -7.091 -7.283 -4.040 1.00 0.00 C ATOM 598 CD GLU A 40 -6.396 -8.490 -4.672 1.00 0.00 C ATOM 599 OE1 GLU A 40 -6.039 -9.395 -3.936 1.00 0.00 O ATOM 600 OE2 GLU A 40 -6.233 -8.490 -5.881 1.00 0.00 O ATOM 0 H GLU A 40 -8.499 -8.456 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.009 -8.617 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.316 -8.641 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.523 -6.957 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.819 -6.866 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.362 -6.499 -3.833 1.00 0.00 H new ATOM 607 N ILE A 41 -4.909 -6.521 -0.817 1.00 0.00 N ATOM 608 CA ILE A 41 -4.245 -5.218 -0.529 1.00 0.00 C ATOM 609 C ILE A 41 -3.319 -4.825 -1.680 1.00 0.00 C ATOM 610 O ILE A 41 -2.965 -5.630 -2.518 1.00 0.00 O ATOM 611 CB ILE A 41 -3.434 -5.330 0.761 1.00 0.00 C ATOM 612 CG1 ILE A 41 -2.297 -6.336 0.564 1.00 0.00 C ATOM 613 CG2 ILE A 41 -4.346 -5.801 1.895 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.956 -5.619 0.719 1.00 0.00 C ATOM 0 H ILE A 41 -4.378 -7.352 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.012 -4.452 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.014 -4.356 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.378 -7.142 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.367 -6.792 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.769 -5.882 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.154 -5.083 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.766 -6.775 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.144 -6.332 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.877 -4.829 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.889 -5.184 1.716 1.00 0.00 H new ATOM 626 N ARG A 42 -2.930 -3.582 -1.717 1.00 0.00 N ATOM 627 CA ARG A 42 -2.029 -3.103 -2.799 1.00 0.00 C ATOM 628 C ARG A 42 -1.076 -2.057 -2.216 1.00 0.00 C ATOM 629 O ARG A 42 -1.254 -1.597 -1.106 1.00 0.00 O ATOM 630 CB ARG A 42 -2.868 -2.473 -3.913 1.00 0.00 C ATOM 631 CG ARG A 42 -1.953 -1.783 -4.922 1.00 0.00 C ATOM 632 CD ARG A 42 -2.763 -1.379 -6.155 1.00 0.00 C ATOM 633 NE ARG A 42 -3.021 -2.581 -6.996 1.00 0.00 N ATOM 634 CZ ARG A 42 -3.413 -2.440 -8.233 1.00 0.00 C ATOM 635 NH1 ARG A 42 -4.420 -1.658 -8.514 1.00 0.00 N ATOM 636 NH2 ARG A 42 -2.798 -3.080 -9.190 1.00 0.00 N ATOM 0 H ARG A 42 -3.201 -2.871 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.457 -3.935 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.462 -3.239 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.568 -1.752 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.495 -0.903 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.142 -2.452 -5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.706 -0.926 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.220 -0.629 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.891 -3.514 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.901 -1.157 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.726 -1.548 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.011 -3.691 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.105 -2.970 -10.157 1.00 0.00 H new ATOM 650 N ARG A 43 -0.063 -1.678 -2.943 1.00 0.00 N ATOM 651 CA ARG A 43 0.888 -0.664 -2.408 1.00 0.00 C ATOM 652 C ARG A 43 1.430 0.200 -3.544 1.00 0.00 C ATOM 653 O ARG A 43 1.609 -0.249 -4.658 1.00 0.00 O ATOM 654 CB ARG A 43 2.048 -1.367 -1.704 1.00 0.00 C ATOM 655 CG ARG A 43 2.326 -2.709 -2.383 1.00 0.00 C ATOM 656 CD ARG A 43 1.583 -3.820 -1.637 1.00 0.00 C ATOM 657 NE ARG A 43 1.510 -5.038 -2.494 1.00 0.00 N ATOM 658 CZ ARG A 43 1.265 -4.928 -3.771 1.00 0.00 C ATOM 659 NH1 ARG A 43 2.200 -4.517 -4.583 1.00 0.00 N ATOM 660 NH2 ARG A 43 0.086 -5.233 -4.238 1.00 0.00 N ATOM 0 H ARG A 43 0.147 -2.024 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 43 0.361 -0.028 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.939 -0.740 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.807 -1.524 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.004 -2.676 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.397 -2.912 -2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.096 -4.051 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.579 -3.487 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 43 1.652 -5.960 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.124 -4.281 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.007 -4.431 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.645 -5.558 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.105 -5.147 -5.236 1.00 0.00 H new ATOM 674 N GLU A 44 1.693 1.442 -3.256 1.00 0.00 N ATOM 675 CA GLU A 44 2.228 2.366 -4.291 1.00 0.00 C ATOM 676 C GLU A 44 2.587 3.692 -3.618 1.00 0.00 C ATOM 677 O GLU A 44 2.084 4.011 -2.560 1.00 0.00 O ATOM 678 CB GLU A 44 1.168 2.611 -5.365 1.00 0.00 C ATOM 679 CG GLU A 44 1.541 1.845 -6.637 1.00 0.00 C ATOM 680 CD GLU A 44 2.499 2.688 -7.481 1.00 0.00 C ATOM 681 OE1 GLU A 44 2.666 3.855 -7.164 1.00 0.00 O ATOM 682 OE2 GLU A 44 3.047 2.154 -8.431 1.00 0.00 O ATOM 0 H GLU A 44 1.558 1.861 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 44 3.110 1.929 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.191 2.287 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.092 3.677 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.008 0.895 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.643 1.613 -7.210 1.00 0.00 H new ATOM 689 N CYS A 45 3.443 4.471 -4.214 1.00 0.00 N ATOM 690 CA CYS A 45 3.808 5.771 -3.587 1.00 0.00 C ATOM 691 C CYS A 45 2.832 6.847 -4.072 1.00 0.00 C ATOM 692 O CYS A 45 2.622 7.015 -5.257 1.00 0.00 O ATOM 693 CB CYS A 45 5.244 6.153 -3.970 1.00 0.00 C ATOM 694 SG CYS A 45 6.001 7.074 -2.608 1.00 0.00 S ATOM 0 H CYS A 45 3.903 4.267 -5.101 1.00 0.00 H new ATOM 0 HA CYS A 45 3.749 5.685 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.826 5.257 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.242 6.758 -4.877 1.00 0.00 H new ATOM 699 N ALA A 46 2.229 7.579 -3.170 1.00 0.00 N ATOM 700 CA ALA A 46 1.268 8.639 -3.594 1.00 0.00 C ATOM 701 C ALA A 46 1.417 9.862 -2.694 1.00 0.00 C ATOM 702 O ALA A 46 2.176 9.862 -1.748 1.00 0.00 O ATOM 703 CB ALA A 46 -0.163 8.123 -3.469 1.00 0.00 C ATOM 0 H ALA A 46 2.360 7.488 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 46 1.480 8.906 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.859 8.902 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.291 7.247 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.362 7.851 -2.432 1.00 0.00 H new ATOM 709 N ALA A 47 0.680 10.899 -2.972 1.00 0.00 N ATOM 710 CA ALA A 47 0.763 12.115 -2.123 1.00 0.00 C ATOM 711 C ALA A 47 -0.213 11.974 -0.952 1.00 0.00 C ATOM 712 O ALA A 47 -0.359 12.872 -0.146 1.00 0.00 O ATOM 713 CB ALA A 47 0.392 13.346 -2.951 1.00 0.00 C ATOM 0 H ALA A 47 0.024 10.956 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 47 1.779 12.230 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.454 14.237 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.082 13.442 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.625 13.237 -3.329 1.00 0.00 H new ATOM 719 N THR A 48 -0.887 10.856 -0.848 1.00 0.00 N ATOM 720 CA THR A 48 -1.850 10.680 0.277 1.00 0.00 C ATOM 721 C THR A 48 -2.520 9.320 0.223 1.00 0.00 C ATOM 722 O THR A 48 -2.140 8.424 -0.501 1.00 0.00 O ATOM 723 CB THR A 48 -2.983 11.698 0.162 1.00 0.00 C ATOM 724 OG1 THR A 48 -2.778 12.512 -0.988 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.024 12.569 1.420 1.00 0.00 C ATOM 0 H THR A 48 -0.812 10.065 -1.488 1.00 0.00 H new ATOM 0 HA THR A 48 -1.278 10.799 1.197 1.00 0.00 H new ATOM 0 HB THR A 48 -3.933 11.173 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.506 13.164 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.833 13.294 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.192 11.939 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.076 13.095 1.529 1.00 0.00 H new ATOM 733 N CYS A 49 -3.571 9.223 0.973 1.00 0.00 N ATOM 734 CA CYS A 49 -4.396 8.006 1.011 1.00 0.00 C ATOM 735 C CYS A 49 -5.805 8.454 0.599 1.00 0.00 C ATOM 736 O CYS A 49 -6.577 8.896 1.427 1.00 0.00 O ATOM 737 CB CYS A 49 -4.401 7.457 2.442 1.00 0.00 C ATOM 738 SG CYS A 49 -4.546 8.839 3.605 1.00 0.00 S ATOM 0 H CYS A 49 -3.901 9.970 1.584 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.025 7.221 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.231 6.764 2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.485 6.898 2.634 1.00 0.00 H new ATOM 743 N PRO A 50 -6.079 8.371 -0.681 1.00 0.00 N ATOM 744 CA PRO A 50 -7.374 8.815 -1.254 1.00 0.00 C ATOM 745 C PRO A 50 -8.562 8.070 -0.643 1.00 0.00 C ATOM 746 O PRO A 50 -8.389 7.256 0.236 1.00 0.00 O ATOM 747 CB PRO A 50 -7.198 8.564 -2.764 1.00 0.00 C ATOM 748 CG PRO A 50 -6.037 7.563 -2.906 1.00 0.00 C ATOM 749 CD PRO A 50 -5.148 7.788 -1.675 1.00 0.00 C ATOM 0 HA PRO A 50 -7.605 9.859 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.113 8.162 -3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.976 9.493 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.405 6.538 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.481 7.735 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.712 6.855 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.321 8.463 -1.895 1.00 0.00 H new ATOM 757 N PRO A 51 -9.746 8.400 -1.099 1.00 0.00 N ATOM 758 CA PRO A 51 -10.982 7.790 -0.583 1.00 0.00 C ATOM 759 C PRO A 51 -11.101 6.340 -1.036 1.00 0.00 C ATOM 760 O PRO A 51 -10.929 5.427 -0.253 1.00 0.00 O ATOM 761 CB PRO A 51 -12.097 8.659 -1.173 1.00 0.00 C ATOM 762 CG PRO A 51 -11.488 9.355 -2.408 1.00 0.00 C ATOM 763 CD PRO A 51 -9.968 9.399 -2.171 1.00 0.00 C ATOM 0 HA PRO A 51 -11.018 7.758 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.958 8.052 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.447 9.392 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.724 8.806 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.893 10.360 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.415 9.144 -3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.640 10.393 -1.866 1.00 0.00 H new ATOM 771 N SER A 52 -11.392 6.102 -2.284 1.00 0.00 N ATOM 772 CA SER A 52 -11.511 4.689 -2.723 1.00 0.00 C ATOM 773 C SER A 52 -11.653 4.588 -4.244 1.00 0.00 C ATOM 774 O SER A 52 -11.876 5.559 -4.938 1.00 0.00 O ATOM 775 CB SER A 52 -12.738 4.060 -2.063 1.00 0.00 C ATOM 776 OG SER A 52 -13.250 4.947 -1.078 1.00 0.00 O ATOM 0 H SER A 52 -11.549 6.808 -3.003 1.00 0.00 H new ATOM 0 HA SER A 52 -10.604 4.161 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.501 3.852 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.471 3.107 -1.607 1.00 0.00 H new ATOM 0 HG SER A 52 -14.038 4.546 -0.654 1.00 0.00 H new ATOM 782 N LYS A 53 -11.529 3.391 -4.746 1.00 0.00 N ATOM 783 CA LYS A 53 -11.652 3.140 -6.209 1.00 0.00 C ATOM 784 C LYS A 53 -11.430 1.644 -6.431 1.00 0.00 C ATOM 785 O LYS A 53 -12.343 0.902 -6.734 1.00 0.00 O ATOM 786 CB LYS A 53 -10.593 3.943 -6.967 1.00 0.00 C ATOM 787 CG LYS A 53 -11.176 4.428 -8.297 1.00 0.00 C ATOM 788 CD LYS A 53 -10.740 5.873 -8.549 1.00 0.00 C ATOM 789 CE LYS A 53 -10.379 6.048 -10.025 1.00 0.00 C ATOM 790 NZ LYS A 53 -11.440 6.842 -10.707 1.00 0.00 N ATOM 0 H LYS A 53 -11.343 2.557 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.633 3.444 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.269 4.794 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.713 3.326 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.836 3.787 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.264 4.364 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.542 6.559 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.883 6.120 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.417 6.552 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.276 5.074 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.194 6.961 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.350 6.344 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.518 7.776 -10.257 1.00 0.00 H new ATOM 804 N LEU A 54 -10.221 1.199 -6.238 1.00 0.00 N ATOM 805 CA LEU A 54 -9.916 -0.252 -6.384 1.00 0.00 C ATOM 806 C LEU A 54 -9.467 -0.783 -5.016 1.00 0.00 C ATOM 807 O LEU A 54 -9.403 -1.974 -4.783 1.00 0.00 O ATOM 808 CB LEU A 54 -8.840 -0.454 -7.478 1.00 0.00 C ATOM 809 CG LEU A 54 -7.426 -0.653 -6.898 1.00 0.00 C ATOM 810 CD1 LEU A 54 -7.108 0.424 -5.859 1.00 0.00 C ATOM 811 CD2 LEU A 54 -7.319 -2.039 -6.256 1.00 0.00 C ATOM 0 H LEU A 54 -9.424 1.782 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.796 -0.811 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.104 -1.320 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.837 0.411 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.705 -0.572 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.105 0.263 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.160 1.407 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.832 0.370 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.318 -2.174 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.053 -2.126 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.511 -2.804 -7.008 1.00 0.00 H new ATOM 823 N GLY A 55 -9.190 0.109 -4.103 1.00 0.00 N ATOM 824 CA GLY A 55 -8.778 -0.295 -2.734 1.00 0.00 C ATOM 825 C GLY A 55 -9.646 0.486 -1.749 1.00 0.00 C ATOM 826 O GLY A 55 -9.378 1.632 -1.445 1.00 0.00 O ATOM 0 H GLY A 55 -9.234 1.117 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.909 -1.368 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.722 -0.079 -2.571 1.00 0.00 H new ATOM 830 N LEU A 56 -10.715 -0.100 -1.290 1.00 0.00 N ATOM 831 CA LEU A 56 -11.627 0.646 -0.375 1.00 0.00 C ATOM 832 C LEU A 56 -10.914 1.121 0.906 1.00 0.00 C ATOM 833 O LEU A 56 -11.322 2.101 1.499 1.00 0.00 O ATOM 834 CB LEU A 56 -12.853 -0.201 -0.002 1.00 0.00 C ATOM 835 CG LEU A 56 -12.505 -1.683 -0.024 1.00 0.00 C ATOM 836 CD1 LEU A 56 -11.209 -1.903 0.739 1.00 0.00 C ATOM 837 CD2 LEU A 56 -13.628 -2.478 0.645 1.00 0.00 C ATOM 0 H LEU A 56 -10.997 -1.056 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.955 1.530 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.209 0.080 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.666 -0.002 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.386 -2.017 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.955 -2.963 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.408 -1.332 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.333 -1.572 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.381 -3.540 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.744 -2.147 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.561 -2.315 0.105 1.00 0.00 H new ATOM 849 N THR A 57 -9.874 0.463 1.365 1.00 0.00 N ATOM 850 CA THR A 57 -9.218 0.947 2.619 1.00 0.00 C ATOM 851 C THR A 57 -7.818 1.489 2.325 1.00 0.00 C ATOM 852 O THR A 57 -6.869 0.740 2.232 1.00 0.00 O ATOM 853 CB THR A 57 -9.106 -0.210 3.616 1.00 0.00 C ATOM 854 OG1 THR A 57 -10.392 -0.508 4.141 1.00 0.00 O ATOM 855 CG2 THR A 57 -8.164 0.186 4.758 1.00 0.00 C ATOM 0 H THR A 57 -9.461 -0.366 0.938 1.00 0.00 H new ATOM 0 HA THR A 57 -9.826 1.749 3.039 1.00 0.00 H new ATOM 0 HB THR A 57 -8.708 -1.089 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.322 -1.250 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.085 -0.638 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.177 0.413 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.559 1.066 5.267 1.00 0.00 H new ATOM 863 N VAL A 58 -7.669 2.784 2.210 1.00 0.00 N ATOM 864 CA VAL A 58 -6.315 3.344 1.955 1.00 0.00 C ATOM 865 C VAL A 58 -5.557 3.445 3.268 1.00 0.00 C ATOM 866 O VAL A 58 -6.110 3.296 4.339 1.00 0.00 O ATOM 867 CB VAL A 58 -6.386 4.762 1.378 1.00 0.00 C ATOM 868 CG1 VAL A 58 -5.092 5.070 0.638 1.00 0.00 C ATOM 869 CG2 VAL A 58 -7.544 4.901 0.400 1.00 0.00 C ATOM 0 H VAL A 58 -8.421 3.470 2.281 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.821 2.681 1.245 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.535 5.456 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.139 6.078 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.252 4.999 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.957 4.353 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.569 5.918 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.412 4.198 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.482 4.688 0.913 1.00 0.00 H new ATOM 879 N PHE A 59 -4.298 3.738 3.187 1.00 0.00 N ATOM 880 CA PHE A 59 -3.490 3.901 4.413 1.00 0.00 C ATOM 881 C PHE A 59 -2.243 4.704 4.056 1.00 0.00 C ATOM 882 O PHE A 59 -1.275 4.175 3.544 1.00 0.00 O ATOM 883 CB PHE A 59 -3.100 2.537 4.975 1.00 0.00 C ATOM 884 CG PHE A 59 -2.040 2.727 6.028 1.00 0.00 C ATOM 885 CD1 PHE A 59 -0.692 2.736 5.663 1.00 0.00 C ATOM 886 CD2 PHE A 59 -2.410 2.904 7.365 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.295 2.919 6.640 1.00 0.00 C ATOM 888 CE2 PHE A 59 -1.424 3.089 8.343 1.00 0.00 C ATOM 889 CZ PHE A 59 -0.072 3.096 7.981 1.00 0.00 C ATOM 0 H PHE A 59 -3.789 3.873 2.313 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.067 4.425 5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.972 2.043 5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.728 1.893 4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.411 2.602 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.454 2.898 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.338 2.924 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.707 3.226 9.376 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.688 3.238 8.735 1.00 0.00 H new ATOM 899 N CYS A 60 -2.267 5.984 4.308 1.00 0.00 N ATOM 900 CA CYS A 60 -1.086 6.830 3.973 1.00 0.00 C ATOM 901 C CYS A 60 -0.165 6.920 5.187 1.00 0.00 C ATOM 902 O CYS A 60 -0.556 6.642 6.303 1.00 0.00 O ATOM 903 CB CYS A 60 -1.532 8.241 3.570 1.00 0.00 C ATOM 904 SG CYS A 60 -2.837 8.822 4.691 1.00 0.00 S ATOM 0 H CYS A 60 -3.052 6.480 4.731 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.556 6.375 3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.683 8.923 3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.898 8.237 2.543 1.00 0.00 H new ATOM 909 N CYS A 61 1.060 7.311 4.976 1.00 0.00 N ATOM 910 CA CYS A 61 2.014 7.425 6.113 1.00 0.00 C ATOM 911 C CYS A 61 3.006 8.554 5.825 1.00 0.00 C ATOM 912 O CYS A 61 3.536 8.664 4.735 1.00 0.00 O ATOM 913 CB CYS A 61 2.771 6.106 6.284 1.00 0.00 C ATOM 914 SG CYS A 61 2.261 5.309 7.828 1.00 0.00 S ATOM 0 H CYS A 61 1.443 7.557 4.063 1.00 0.00 H new ATOM 0 HA CYS A 61 1.466 7.644 7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.570 5.447 5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.845 6.290 6.296 1.00 0.00 H new ATOM 919 N THR A 62 3.253 9.395 6.793 1.00 0.00 N ATOM 920 CA THR A 62 4.203 10.524 6.580 1.00 0.00 C ATOM 921 C THR A 62 5.584 10.141 7.116 1.00 0.00 C ATOM 922 O THR A 62 6.071 10.713 8.071 1.00 0.00 O ATOM 923 CB THR A 62 3.696 11.761 7.325 1.00 0.00 C ATOM 924 OG1 THR A 62 3.680 11.496 8.721 1.00 0.00 O ATOM 925 CG2 THR A 62 2.282 12.100 6.853 1.00 0.00 C ATOM 0 H THR A 62 2.837 9.349 7.723 1.00 0.00 H new ATOM 0 HA THR A 62 4.275 10.741 5.514 1.00 0.00 H new ATOM 0 HB THR A 62 4.356 12.604 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.596 11.345 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.922 12.981 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.295 12.302 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.619 11.259 7.055 1.00 0.00 H new ATOM 933 N THR A 63 6.221 9.181 6.507 1.00 0.00 N ATOM 934 CA THR A 63 7.571 8.765 6.979 1.00 0.00 C ATOM 935 C THR A 63 8.162 7.761 5.989 1.00 0.00 C ATOM 936 O THR A 63 7.526 7.377 5.028 1.00 0.00 O ATOM 937 CB THR A 63 7.449 8.116 8.360 1.00 0.00 C ATOM 938 OG1 THR A 63 8.681 7.496 8.702 1.00 0.00 O ATOM 939 CG2 THR A 63 6.337 7.068 8.337 1.00 0.00 C ATOM 0 H THR A 63 5.865 8.666 5.702 1.00 0.00 H new ATOM 0 HA THR A 63 8.223 9.636 7.047 1.00 0.00 H new ATOM 0 HB THR A 63 7.209 8.880 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.373 8.181 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.251 6.607 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.392 7.545 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.573 6.303 7.597 1.00 0.00 H new ATOM 947 N ASP A 64 9.374 7.333 6.212 1.00 0.00 N ATOM 948 CA ASP A 64 9.998 6.356 5.279 1.00 0.00 C ATOM 949 C ASP A 64 9.064 5.158 5.108 1.00 0.00 C ATOM 950 O ASP A 64 7.952 5.157 5.595 1.00 0.00 O ATOM 951 CB ASP A 64 11.337 5.888 5.850 1.00 0.00 C ATOM 952 CG ASP A 64 11.231 5.771 7.371 1.00 0.00 C ATOM 953 OD1 ASP A 64 10.167 5.406 7.845 1.00 0.00 O ATOM 954 OD2 ASP A 64 12.215 6.050 8.037 1.00 0.00 O ATOM 0 H ASP A 64 9.958 7.618 6.999 1.00 0.00 H new ATOM 0 HA ASP A 64 10.166 6.828 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.611 4.925 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.124 6.593 5.583 1.00 0.00 H new ATOM 959 N ASN A 65 9.507 4.148 4.405 1.00 0.00 N ATOM 960 CA ASN A 65 8.652 2.943 4.179 1.00 0.00 C ATOM 961 C ASN A 65 7.804 2.657 5.418 1.00 0.00 C ATOM 962 O ASN A 65 8.254 2.050 6.369 1.00 0.00 O ATOM 963 CB ASN A 65 9.539 1.736 3.881 1.00 0.00 C ATOM 964 CG ASN A 65 10.417 2.043 2.672 1.00 0.00 C ATOM 965 OD1 ASN A 65 9.947 2.567 1.683 1.00 0.00 O ATOM 966 ND2 ASN A 65 11.683 1.741 2.709 1.00 0.00 N ATOM 0 H ASN A 65 10.431 4.106 3.975 1.00 0.00 H new ATOM 0 HA ASN A 65 7.992 3.132 3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.160 1.504 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.924 0.858 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.280 1.945 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.078 1.301 3.540 1.00 0.00 H new ATOM 973 N CYS A 66 6.576 3.095 5.410 1.00 0.00 N ATOM 974 CA CYS A 66 5.687 2.861 6.580 1.00 0.00 C ATOM 975 C CYS A 66 4.755 1.685 6.280 1.00 0.00 C ATOM 976 O CYS A 66 4.077 1.179 7.151 1.00 0.00 O ATOM 977 CB CYS A 66 4.858 4.122 6.838 1.00 0.00 C ATOM 978 SG CYS A 66 3.546 3.763 8.032 1.00 0.00 S ATOM 0 H CYS A 66 6.149 3.608 4.639 1.00 0.00 H new ATOM 0 HA CYS A 66 6.286 2.631 7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.499 4.918 7.217 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.424 4.480 5.904 1.00 0.00 H new ATOM 983 N ASN A 67 4.718 1.247 5.051 1.00 0.00 N ATOM 984 CA ASN A 67 3.831 0.106 4.694 1.00 0.00 C ATOM 985 C ASN A 67 4.472 -0.702 3.565 1.00 0.00 C ATOM 986 O ASN A 67 3.797 -1.357 2.796 1.00 0.00 O ATOM 987 CB ASN A 67 2.475 0.641 4.231 1.00 0.00 C ATOM 988 CG ASN A 67 1.356 -0.128 4.933 1.00 0.00 C ATOM 989 OD1 ASN A 67 0.297 0.410 5.182 1.00 0.00 O ATOM 990 ND2 ASN A 67 1.547 -1.377 5.263 1.00 0.00 N ATOM 0 H ASN A 67 5.264 1.631 4.280 1.00 0.00 H new ATOM 0 HA ASN A 67 3.691 -0.533 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.396 1.705 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.380 0.536 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.806 -1.900 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.437 -1.829 5.054 1.00 0.00 H new ATOM 997 N HIS A 68 5.771 -0.660 3.458 1.00 0.00 N ATOM 998 CA HIS A 68 6.454 -1.423 2.378 1.00 0.00 C ATOM 999 C HIS A 68 6.138 -2.912 2.528 1.00 0.00 C ATOM 1000 O HIS A 68 6.702 -3.695 1.781 1.00 0.00 O ATOM 1001 CB HIS A 68 7.965 -1.210 2.482 1.00 0.00 C ATOM 1002 CG HIS A 68 8.431 -1.601 3.858 1.00 0.00 C ATOM 1003 ND1 HIS A 68 9.771 -1.791 4.159 1.00 0.00 N ATOM 1004 CD2 HIS A 68 7.747 -1.847 5.023 1.00 0.00 C ATOM 1005 CE1 HIS A 68 9.850 -2.137 5.457 1.00 0.00 C ATOM 1006 NE2 HIS A 68 8.645 -2.186 6.031 1.00 0.00 N ATOM 1007 OXT HIS A 68 5.339 -3.244 3.387 1.00 0.00 O ATOM 0 H HIS A 68 6.389 -0.130 4.072 1.00 0.00 H new ATOM 0 HA HIS A 68 6.103 -1.073 1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.480 -1.806 1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.211 -0.166 2.286 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.675 -1.787 5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.775 -2.349 5.972 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.429 -2.421 7.000 1.00 0.00 H new TER 1015 HIS A 68