USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 641 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 43 LYS NZ :NH3+ 165:sc= -0.254 (180deg=-0.861) USER MOD Set 1.2: A 73 SER OG : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0784 (180deg=-0.742) USER MOD Single : A 3 SER OG : rot -89:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -3.53 K(o=-3.5,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-0.824) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.6!) USER MOD Single : A 23 THR OG1 : rot 103:sc= 0.668 USER MOD Single : A 27 THR OG1 : rot -60:sc= -1.69 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= -0.187 (180deg=-3.39!) USER MOD Single : A 29 THR OG1 : rot 62:sc= -1.97! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.02! K(o=-1!,f=0) USER MOD Single : A 34 SER OG : rot 66:sc= 0.316 USER MOD Single : A 36 SER OG : rot -73:sc= 0.85 USER MOD Single : A 37 CYS SG : rot -75:sc= -1.91 USER MOD Single : A 40 SER OG : rot -27:sc= 0.475 USER MOD Single : A 41 GLN : amide:sc= -4.5! C(o=-4.5!,f=-6.4!) USER MOD Single : A 46 TYR OH : rot 40:sc= 0.0581 USER MOD Single : A 47 SER OG : rot 96:sc= 0.0148 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.74! C(o=-4.7!,f=-7.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 38:sc= -5.21! USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.363 (180deg=-2.68!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -4.52! C(o=-4.5!,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.537 -20.376 3.221 1.00 0.00 N ATOM 2 CA MET A 1 -1.274 -19.662 3.563 1.00 0.00 C ATOM 3 C MET A 1 -0.532 -19.301 2.280 1.00 0.00 C ATOM 4 O MET A 1 0.284 -20.076 1.784 1.00 0.00 O ATOM 5 CB MET A 1 -0.401 -20.567 4.435 1.00 0.00 C ATOM 6 CG MET A 1 -1.269 -21.248 5.495 1.00 0.00 C ATOM 7 SD MET A 1 -0.207 -22.056 6.717 1.00 0.00 S ATOM 8 CE MET A 1 -0.157 -20.698 7.913 1.00 0.00 C ATOM 0 H1 MET A 1 -3.206 -20.296 4.013 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.956 -19.952 2.369 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.331 -21.380 3.042 1.00 0.00 H new ATOM 0 HA MET A 1 -1.504 -18.749 4.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.093 -21.317 3.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.384 -19.981 4.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.909 -20.513 5.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.925 -21.981 5.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.457 -20.987 8.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.270 -19.813 7.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.168 -20.475 8.253 1.00 0.00 H new ATOM 20 N VAL A 2 -0.823 -18.116 1.749 1.00 0.00 N ATOM 21 CA VAL A 2 -0.180 -17.655 0.520 1.00 0.00 C ATOM 22 C VAL A 2 0.936 -16.669 0.844 1.00 0.00 C ATOM 23 O VAL A 2 0.750 -15.722 1.605 1.00 0.00 O ATOM 24 CB VAL A 2 -1.224 -17.016 -0.422 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.585 -16.950 0.273 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.804 -15.595 -0.828 1.00 0.00 C ATOM 0 H VAL A 2 -1.496 -17.461 2.147 1.00 0.00 H new ATOM 0 HA VAL A 2 0.261 -18.512 0.010 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.291 -17.636 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.315 -16.498 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.909 -17.957 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.503 -16.348 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.557 -15.169 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.712 -14.974 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.155 -15.633 -1.345 1.00 0.00 H new ATOM 36 N SER A 3 2.093 -16.909 0.242 1.00 0.00 N ATOM 37 CA SER A 3 3.256 -16.055 0.436 1.00 0.00 C ATOM 38 C SER A 3 3.443 -15.161 -0.783 1.00 0.00 C ATOM 39 O SER A 3 3.330 -15.619 -1.918 1.00 0.00 O ATOM 40 CB SER A 3 4.506 -16.911 0.640 1.00 0.00 C ATOM 41 OG SER A 3 4.283 -17.817 1.714 1.00 0.00 O ATOM 0 H SER A 3 2.251 -17.694 -0.389 1.00 0.00 H new ATOM 0 HA SER A 3 3.100 -15.437 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.738 -17.460 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.365 -16.276 0.857 1.00 0.00 H new ATOM 0 HG SER A 3 4.546 -17.395 2.558 1.00 0.00 H new ATOM 47 N LEU A 4 3.711 -13.882 -0.547 1.00 0.00 N ATOM 48 CA LEU A 4 3.892 -12.941 -1.646 1.00 0.00 C ATOM 49 C LEU A 4 5.162 -12.129 -1.477 1.00 0.00 C ATOM 50 O LEU A 4 5.837 -12.205 -0.451 1.00 0.00 O ATOM 51 CB LEU A 4 2.695 -11.995 -1.717 1.00 0.00 C ATOM 52 CG LEU A 4 1.423 -12.815 -1.917 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.199 -11.917 -1.720 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.407 -13.421 -3.330 1.00 0.00 C ATOM 0 H LEU A 4 3.807 -13.476 0.384 1.00 0.00 H new ATOM 0 HA LEU A 4 3.972 -13.515 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.624 -11.408 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.821 -11.290 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 4 1.397 -13.624 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.709 -12.503 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.209 -11.504 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.224 -11.104 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.496 -14.005 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.438 -12.621 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.275 -14.068 -3.458 1.00 0.00 H new ATOM 66 N THR A 5 5.472 -11.344 -2.499 1.00 0.00 N ATOM 67 CA THR A 5 6.665 -10.497 -2.477 1.00 0.00 C ATOM 68 C THR A 5 6.334 -9.082 -2.931 1.00 0.00 C ATOM 69 O THR A 5 5.895 -8.869 -4.060 1.00 0.00 O ATOM 70 CB THR A 5 7.751 -11.069 -3.396 1.00 0.00 C ATOM 71 OG1 THR A 5 8.372 -12.177 -2.759 1.00 0.00 O ATOM 72 CG2 THR A 5 8.801 -9.985 -3.685 1.00 0.00 C ATOM 0 H THR A 5 4.919 -11.273 -3.353 1.00 0.00 H new ATOM 0 HA THR A 5 7.030 -10.472 -1.450 1.00 0.00 H new ATOM 0 HB THR A 5 7.301 -11.395 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.065 -12.545 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.573 -10.391 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.323 -9.136 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.253 -9.658 -2.749 1.00 0.00 H new ATOM 80 N PHE A 6 6.570 -8.116 -2.053 1.00 0.00 N ATOM 81 CA PHE A 6 6.314 -6.721 -2.384 1.00 0.00 C ATOM 82 C PHE A 6 7.615 -6.050 -2.819 1.00 0.00 C ATOM 83 O PHE A 6 8.534 -5.894 -2.015 1.00 0.00 O ATOM 84 CB PHE A 6 5.743 -5.993 -1.166 1.00 0.00 C ATOM 85 CG PHE A 6 4.344 -6.491 -0.877 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.134 -7.821 -0.491 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.257 -5.615 -0.982 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.839 -8.273 -0.214 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.963 -6.069 -0.701 1.00 0.00 C ATOM 90 CZ PHE A 6 1.754 -7.398 -0.319 1.00 0.00 C ATOM 0 H PHE A 6 6.935 -8.271 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 6 5.592 -6.674 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.383 -6.158 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.725 -4.919 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.972 -8.498 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.417 -4.589 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.678 -9.299 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.125 -5.392 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.755 -7.748 -0.105 1.00 0.00 H new ATOM 100 N LYS A 7 7.699 -5.663 -4.093 1.00 0.00 N ATOM 101 CA LYS A 7 8.911 -5.023 -4.605 1.00 0.00 C ATOM 102 C LYS A 7 8.671 -3.542 -4.886 1.00 0.00 C ATOM 103 O LYS A 7 7.588 -3.145 -5.316 1.00 0.00 O ATOM 104 CB LYS A 7 9.384 -5.737 -5.882 1.00 0.00 C ATOM 105 CG LYS A 7 8.528 -5.306 -7.083 1.00 0.00 C ATOM 106 CD LYS A 7 9.209 -4.148 -7.833 1.00 0.00 C ATOM 107 CE LYS A 7 10.073 -4.703 -8.971 1.00 0.00 C ATOM 108 NZ LYS A 7 9.221 -4.928 -10.174 1.00 0.00 N ATOM 0 H LYS A 7 6.954 -5.779 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 7 9.687 -5.101 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.432 -5.503 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.318 -6.817 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.383 -6.150 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.540 -4.997 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.456 -3.469 -8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.826 -3.570 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.877 -4.005 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.542 -5.638 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.805 -5.305 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.469 -5.609 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.793 -4.027 -10.470 1.00 0.00 H new ATOM 122 N ASN A 8 9.694 -2.731 -4.631 1.00 0.00 N ATOM 123 CA ASN A 8 9.602 -1.289 -4.850 1.00 0.00 C ATOM 124 C ASN A 8 10.574 -0.847 -5.941 1.00 0.00 C ATOM 125 O ASN A 8 11.106 -1.672 -6.684 1.00 0.00 O ATOM 126 CB ASN A 8 9.923 -0.549 -3.551 1.00 0.00 C ATOM 127 CG ASN A 8 11.251 -1.043 -2.987 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.990 -1.753 -3.669 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.599 -0.710 -1.774 1.00 0.00 N ATOM 0 H ASN A 8 10.596 -3.046 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 8 8.587 -1.051 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.973 0.524 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.127 -0.710 -2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.485 -1.038 -1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.985 -0.122 -1.211 1.00 0.00 H new ATOM 136 N PHE A 9 10.799 0.460 -6.033 1.00 0.00 N ATOM 137 CA PHE A 9 11.708 1.003 -7.039 1.00 0.00 C ATOM 138 C PHE A 9 13.156 0.920 -6.557 1.00 0.00 C ATOM 139 O PHE A 9 14.076 1.343 -7.257 1.00 0.00 O ATOM 140 CB PHE A 9 11.346 2.463 -7.337 1.00 0.00 C ATOM 141 CG PHE A 9 10.296 2.520 -8.425 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.173 1.684 -8.364 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.447 3.409 -9.497 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.203 1.739 -9.372 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.477 3.462 -10.505 1.00 0.00 C ATOM 146 CZ PHE A 9 8.356 2.627 -10.442 1.00 0.00 C ATOM 0 H PHE A 9 10.368 1.159 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 9 11.608 0.412 -7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.973 2.946 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.235 3.011 -7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.056 0.997 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.312 4.054 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.337 1.096 -9.324 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.594 4.147 -11.331 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.608 2.668 -11.220 1.00 0.00 H new ATOM 156 N LYS A 10 13.351 0.368 -5.363 1.00 0.00 N ATOM 157 CA LYS A 10 14.692 0.231 -4.802 1.00 0.00 C ATOM 158 C LYS A 10 15.231 -1.167 -5.080 1.00 0.00 C ATOM 159 O LYS A 10 16.275 -1.560 -4.560 1.00 0.00 O ATOM 160 CB LYS A 10 14.658 0.484 -3.292 1.00 0.00 C ATOM 161 CG LYS A 10 14.495 1.989 -3.022 1.00 0.00 C ATOM 162 CD LYS A 10 13.570 2.204 -1.818 1.00 0.00 C ATOM 163 CE LYS A 10 12.106 2.092 -2.263 1.00 0.00 C ATOM 164 NZ LYS A 10 11.601 3.439 -2.649 1.00 0.00 N ATOM 0 H LYS A 10 12.603 0.010 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 10 15.347 0.966 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.834 -0.068 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.576 0.120 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.468 2.441 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.083 2.483 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.783 1.464 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.752 3.184 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.022 1.405 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.499 1.682 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.609 3.364 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.668 4.081 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.174 3.813 -3.432 1.00 0.00 H new ATOM 178 N LYS A 11 14.503 -1.906 -5.909 1.00 0.00 N ATOM 179 CA LYS A 11 14.895 -3.262 -6.272 1.00 0.00 C ATOM 180 C LYS A 11 14.994 -4.156 -5.038 1.00 0.00 C ATOM 181 O LYS A 11 15.844 -5.044 -4.974 1.00 0.00 O ATOM 182 CB LYS A 11 16.240 -3.247 -7.008 1.00 0.00 C ATOM 183 CG LYS A 11 16.087 -2.551 -8.370 1.00 0.00 C ATOM 184 CD LYS A 11 16.337 -1.045 -8.221 1.00 0.00 C ATOM 185 CE LYS A 11 16.313 -0.380 -9.601 1.00 0.00 C ATOM 186 NZ LYS A 11 17.064 0.906 -9.543 1.00 0.00 N ATOM 0 H LYS A 11 13.636 -1.588 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 11 14.127 -3.667 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.987 -2.728 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.598 -4.267 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.791 -2.976 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.086 -2.724 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.575 -0.602 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.300 -0.872 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.759 -1.041 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.284 -0.199 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.049 1.359 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.619 1.537 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.049 0.721 -9.264 1.00 0.00 H new ATOM 200 N GLU A 12 14.114 -3.924 -4.067 1.00 0.00 N ATOM 201 CA GLU A 12 14.103 -4.727 -2.844 1.00 0.00 C ATOM 202 C GLU A 12 12.764 -5.435 -2.686 1.00 0.00 C ATOM 203 O GLU A 12 11.710 -4.834 -2.884 1.00 0.00 O ATOM 204 CB GLU A 12 14.351 -3.840 -1.622 1.00 0.00 C ATOM 205 CG GLU A 12 15.447 -2.824 -1.940 1.00 0.00 C ATOM 206 CD GLU A 12 15.875 -2.104 -0.665 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.119 -1.268 -0.198 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.952 -2.399 -0.175 1.00 0.00 O ATOM 0 H GLU A 12 13.404 -3.193 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 12 14.897 -5.470 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.433 -3.324 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.645 -4.452 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.303 -3.328 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.084 -2.102 -2.671 1.00 0.00 H new ATOM 215 N LYS A 13 12.811 -6.714 -2.327 1.00 0.00 N ATOM 216 CA LYS A 13 11.595 -7.496 -2.143 1.00 0.00 C ATOM 217 C LYS A 13 11.312 -7.701 -0.659 1.00 0.00 C ATOM 218 O LYS A 13 12.216 -8.001 0.121 1.00 0.00 O ATOM 219 CB LYS A 13 11.741 -8.860 -2.831 1.00 0.00 C ATOM 220 CG LYS A 13 13.213 -9.300 -2.815 1.00 0.00 C ATOM 221 CD LYS A 13 13.938 -8.757 -4.054 1.00 0.00 C ATOM 222 CE LYS A 13 13.759 -9.727 -5.225 1.00 0.00 C ATOM 223 NZ LYS A 13 14.474 -11.001 -4.929 1.00 0.00 N ATOM 0 H LYS A 13 13.675 -7.229 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 13 10.763 -6.952 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.125 -9.601 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.382 -8.799 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.700 -8.936 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.275 -10.388 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.542 -7.776 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.998 -8.625 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.699 -9.922 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.148 -9.283 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.797 -11.433 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.295 -10.805 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.830 -11.655 -4.440 1.00 0.00 H new ATOM 237 N VAL A 14 10.047 -7.543 -0.280 1.00 0.00 N ATOM 238 CA VAL A 14 9.641 -7.717 1.112 1.00 0.00 C ATOM 239 C VAL A 14 8.634 -8.860 1.223 1.00 0.00 C ATOM 240 O VAL A 14 7.425 -8.643 1.129 1.00 0.00 O ATOM 241 CB VAL A 14 9.009 -6.424 1.637 1.00 0.00 C ATOM 242 CG1 VAL A 14 9.040 -6.419 3.166 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.798 -5.223 1.107 1.00 0.00 C ATOM 0 H VAL A 14 9.287 -7.296 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 14 10.522 -7.955 1.709 1.00 0.00 H new ATOM 0 HB VAL A 14 7.975 -6.362 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.590 -5.498 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.480 -7.274 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.073 -6.481 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.351 -4.301 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.832 -5.288 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.774 -5.224 0.017 1.00 0.00 H new ATOM 253 N PRO A 15 9.107 -10.067 1.408 1.00 0.00 N ATOM 254 CA PRO A 15 8.226 -11.266 1.522 1.00 0.00 C ATOM 255 C PRO A 15 7.124 -11.082 2.561 1.00 0.00 C ATOM 256 O PRO A 15 7.329 -10.450 3.596 1.00 0.00 O ATOM 257 CB PRO A 15 9.183 -12.389 1.932 1.00 0.00 C ATOM 258 CG PRO A 15 10.530 -11.950 1.458 1.00 0.00 C ATOM 259 CD PRO A 15 10.530 -10.423 1.525 1.00 0.00 C ATOM 0 HA PRO A 15 7.699 -11.470 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.175 -12.538 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.895 -13.337 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.318 -12.367 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.716 -12.295 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.957 -10.064 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.119 -9.987 0.718 1.00 0.00 H new ATOM 267 N LEU A 16 5.957 -11.647 2.270 1.00 0.00 N ATOM 268 CA LEU A 16 4.818 -11.551 3.177 1.00 0.00 C ATOM 269 C LEU A 16 3.925 -12.778 3.048 1.00 0.00 C ATOM 270 O LEU A 16 4.071 -13.572 2.122 1.00 0.00 O ATOM 271 CB LEU A 16 3.986 -10.305 2.851 1.00 0.00 C ATOM 272 CG LEU A 16 4.654 -9.051 3.420 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.840 -7.812 3.014 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.724 -9.144 4.953 1.00 0.00 C ATOM 0 H LEU A 16 5.775 -12.175 1.416 1.00 0.00 H new ATOM 0 HA LEU A 16 5.204 -11.486 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.875 -10.207 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.984 -10.411 3.266 1.00 0.00 H new ATOM 0 HG LEU A 16 5.666 -8.970 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.313 -6.917 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.801 -7.743 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.828 -7.896 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.201 -8.248 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.716 -9.229 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.305 -10.021 5.238 1.00 0.00 H new ATOM 286 N ASP A 17 2.986 -12.905 3.977 1.00 0.00 N ATOM 287 CA ASP A 17 2.038 -14.016 3.967 1.00 0.00 C ATOM 288 C ASP A 17 0.655 -13.503 4.342 1.00 0.00 C ATOM 289 O ASP A 17 0.501 -12.776 5.323 1.00 0.00 O ATOM 290 CB ASP A 17 2.463 -15.098 4.956 1.00 0.00 C ATOM 291 CG ASP A 17 3.877 -15.572 4.639 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.029 -16.332 3.696 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.788 -15.169 5.342 1.00 0.00 O ATOM 0 H ASP A 17 2.859 -12.251 4.750 1.00 0.00 H new ATOM 0 HA ASP A 17 2.017 -14.448 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.421 -14.708 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.770 -15.938 4.908 1.00 0.00 H new ATOM 298 N LEU A 18 -0.348 -13.871 3.554 1.00 0.00 N ATOM 299 CA LEU A 18 -1.714 -13.418 3.813 1.00 0.00 C ATOM 300 C LEU A 18 -2.724 -14.542 3.623 1.00 0.00 C ATOM 301 O LEU A 18 -2.358 -15.689 3.371 1.00 0.00 O ATOM 302 CB LEU A 18 -2.065 -12.274 2.862 1.00 0.00 C ATOM 303 CG LEU A 18 -1.247 -11.023 3.223 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.391 -10.600 2.027 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.197 -9.885 3.598 1.00 0.00 C ATOM 0 H LEU A 18 -0.246 -14.475 2.738 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.760 -13.082 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.859 -12.569 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.131 -12.053 2.923 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.596 -11.250 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.186 -9.713 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.288 -11.410 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.037 -10.375 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.618 -8.997 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.849 -9.662 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.802 -10.183 4.454 1.00 0.00 H new ATOM 317 N GLU A 19 -4.002 -14.188 3.745 1.00 0.00 N ATOM 318 CA GLU A 19 -5.084 -15.153 3.584 1.00 0.00 C ATOM 319 C GLU A 19 -6.059 -14.669 2.512 1.00 0.00 C ATOM 320 O GLU A 19 -6.214 -13.464 2.309 1.00 0.00 O ATOM 321 CB GLU A 19 -5.821 -15.325 4.914 1.00 0.00 C ATOM 322 CG GLU A 19 -4.925 -16.075 5.900 1.00 0.00 C ATOM 323 CD GLU A 19 -5.618 -16.187 7.254 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.824 -16.363 7.267 1.00 0.00 O ATOM 325 OE2 GLU A 19 -4.930 -16.094 8.258 1.00 0.00 O ATOM 0 H GLU A 19 -4.312 -13.239 3.955 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.666 -16.111 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.092 -14.351 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.749 -15.875 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.699 -17.069 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.975 -15.552 6.011 1.00 0.00 H new ATOM 332 N PRO A 20 -6.721 -15.569 1.831 1.00 0.00 N ATOM 333 CA PRO A 20 -7.701 -15.203 0.770 1.00 0.00 C ATOM 334 C PRO A 20 -8.698 -14.163 1.266 1.00 0.00 C ATOM 335 O PRO A 20 -9.250 -13.390 0.483 1.00 0.00 O ATOM 336 CB PRO A 20 -8.420 -16.520 0.434 1.00 0.00 C ATOM 337 CG PRO A 20 -7.916 -17.551 1.400 1.00 0.00 C ATOM 338 CD PRO A 20 -6.613 -17.021 1.993 1.00 0.00 C ATOM 0 HA PRO A 20 -7.210 -14.759 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.500 -16.404 0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.215 -16.821 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.650 -17.732 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.749 -18.502 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.508 -17.300 3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.744 -17.419 1.469 1.00 0.00 H new ATOM 346 N SER A 21 -8.930 -14.162 2.571 1.00 0.00 N ATOM 347 CA SER A 21 -9.875 -13.220 3.167 1.00 0.00 C ATOM 348 C SER A 21 -9.202 -11.883 3.456 1.00 0.00 C ATOM 349 O SER A 21 -9.849 -10.836 3.410 1.00 0.00 O ATOM 350 CB SER A 21 -10.446 -13.798 4.461 1.00 0.00 C ATOM 351 OG SER A 21 -11.119 -15.017 4.174 1.00 0.00 O ATOM 0 H SER A 21 -8.483 -14.795 3.234 1.00 0.00 H new ATOM 0 HA SER A 21 -10.684 -13.055 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.645 -13.972 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.135 -13.087 4.917 1.00 0.00 H new ATOM 0 HG SER A 21 -11.485 -15.391 5.002 1.00 0.00 H new ATOM 357 N ASN A 22 -7.902 -11.912 3.726 1.00 0.00 N ATOM 358 CA ASN A 22 -7.178 -10.682 3.987 1.00 0.00 C ATOM 359 C ASN A 22 -7.185 -9.841 2.724 1.00 0.00 C ATOM 360 O ASN A 22 -7.024 -10.370 1.624 1.00 0.00 O ATOM 361 CB ASN A 22 -5.737 -10.980 4.404 1.00 0.00 C ATOM 362 CG ASN A 22 -5.712 -11.581 5.805 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.904 -12.466 6.087 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.552 -11.150 6.705 1.00 0.00 N ATOM 0 H ASN A 22 -7.338 -12.761 3.769 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.661 -10.144 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.280 -11.671 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.147 -10.064 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.540 -11.546 7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.221 -10.417 6.469 1.00 0.00 H new ATOM 371 N THR A 23 -7.398 -8.542 2.874 1.00 0.00 N ATOM 372 CA THR A 23 -7.453 -7.665 1.714 1.00 0.00 C ATOM 373 C THR A 23 -6.390 -6.583 1.774 1.00 0.00 C ATOM 374 O THR A 23 -5.818 -6.298 2.826 1.00 0.00 O ATOM 375 CB THR A 23 -8.843 -7.027 1.607 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.720 -5.683 1.166 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.522 -7.059 2.973 1.00 0.00 C ATOM 0 H THR A 23 -7.534 -8.078 3.772 1.00 0.00 H new ATOM 0 HA THR A 23 -7.259 -8.272 0.830 1.00 0.00 H new ATOM 0 HB THR A 23 -9.444 -7.586 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.953 -5.628 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.510 -6.606 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.621 -8.092 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.921 -6.502 3.691 1.00 0.00 H new ATOM 385 N ILE A 24 -6.141 -5.993 0.615 1.00 0.00 N ATOM 386 CA ILE A 24 -5.160 -4.939 0.470 1.00 0.00 C ATOM 387 C ILE A 24 -5.109 -4.056 1.700 1.00 0.00 C ATOM 388 O ILE A 24 -4.035 -3.702 2.174 1.00 0.00 O ATOM 389 CB ILE A 24 -5.541 -4.098 -0.747 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.878 -5.013 -1.929 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.397 -3.168 -1.128 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.838 -6.125 -2.044 1.00 0.00 C ATOM 0 H ILE A 24 -6.618 -6.236 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.174 -5.386 0.343 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.415 -3.497 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.870 -5.444 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.906 -4.433 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.684 -2.575 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.175 -2.504 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.513 -3.758 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.086 -6.770 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.852 -5.687 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.832 -6.714 -1.127 1.00 0.00 H new ATOM 404 N LEU A 25 -6.268 -3.702 2.220 1.00 0.00 N ATOM 405 CA LEU A 25 -6.310 -2.857 3.400 1.00 0.00 C ATOM 406 C LEU A 25 -5.311 -3.363 4.428 1.00 0.00 C ATOM 407 O LEU A 25 -4.532 -2.596 4.989 1.00 0.00 O ATOM 408 CB LEU A 25 -7.715 -2.869 4.006 1.00 0.00 C ATOM 409 CG LEU A 25 -7.853 -1.716 5.004 1.00 0.00 C ATOM 410 CD1 LEU A 25 -9.331 -1.514 5.343 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.064 -2.019 6.290 1.00 0.00 C ATOM 0 H LEU A 25 -7.178 -3.979 1.853 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.053 -1.837 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.463 -2.773 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.898 -3.820 4.506 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.450 -0.809 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.433 -0.694 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.884 -1.277 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.731 -2.427 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.173 -1.189 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.449 -2.931 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.010 -2.152 6.047 1.00 0.00 H new ATOM 423 N GLU A 26 -5.361 -4.663 4.672 1.00 0.00 N ATOM 424 CA GLU A 26 -4.479 -5.293 5.649 1.00 0.00 C ATOM 425 C GLU A 26 -3.054 -5.473 5.128 1.00 0.00 C ATOM 426 O GLU A 26 -2.099 -5.205 5.857 1.00 0.00 O ATOM 427 CB GLU A 26 -5.047 -6.651 6.064 1.00 0.00 C ATOM 428 CG GLU A 26 -6.348 -6.445 6.841 1.00 0.00 C ATOM 429 CD GLU A 26 -6.042 -5.928 8.243 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.901 -4.726 8.392 1.00 0.00 O ATOM 431 OE2 GLU A 26 -5.954 -6.743 9.147 1.00 0.00 O ATOM 0 H GLU A 26 -6.003 -5.305 4.208 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.429 -4.625 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.231 -7.265 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.324 -7.186 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.987 -5.736 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.897 -7.385 6.903 1.00 0.00 H new ATOM 438 N THR A 27 -2.887 -5.919 3.883 1.00 0.00 N ATOM 439 CA THR A 27 -1.540 -6.095 3.365 1.00 0.00 C ATOM 440 C THR A 27 -0.820 -4.759 3.448 1.00 0.00 C ATOM 441 O THR A 27 0.327 -4.677 3.888 1.00 0.00 O ATOM 442 CB THR A 27 -1.589 -6.638 1.927 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.771 -7.796 1.838 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.088 -5.592 0.934 1.00 0.00 C ATOM 0 H THR A 27 -3.641 -6.156 3.238 1.00 0.00 H new ATOM 0 HA THR A 27 -0.992 -6.827 3.958 1.00 0.00 H new ATOM 0 HB THR A 27 -2.622 -6.884 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.152 -7.563 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.132 -5.999 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.715 -4.703 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.058 -5.327 1.174 1.00 0.00 H new ATOM 452 N LYS A 28 -1.526 -3.713 3.049 1.00 0.00 N ATOM 453 CA LYS A 28 -0.981 -2.367 3.102 1.00 0.00 C ATOM 454 C LYS A 28 -0.604 -2.005 4.537 1.00 0.00 C ATOM 455 O LYS A 28 0.472 -1.464 4.781 1.00 0.00 O ATOM 456 CB LYS A 28 -2.009 -1.373 2.587 1.00 0.00 C ATOM 457 CG LYS A 28 -2.159 -1.542 1.077 1.00 0.00 C ATOM 458 CD LYS A 28 -2.832 -0.303 0.501 1.00 0.00 C ATOM 459 CE LYS A 28 -4.254 -0.166 1.060 1.00 0.00 C ATOM 460 NZ LYS A 28 -4.261 0.847 2.153 1.00 0.00 N ATOM 0 H LYS A 28 -2.477 -3.771 2.685 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.089 -2.328 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.968 -1.535 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.698 -0.355 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.182 -1.688 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.752 -2.429 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.249 0.584 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.866 -0.370 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.941 0.133 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.602 -1.127 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.104 1.449 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.277 0.364 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.406 1.436 2.086 1.00 0.00 H new ATOM 474 N THR A 29 -1.498 -2.304 5.487 1.00 0.00 N ATOM 475 CA THR A 29 -1.237 -1.997 6.888 1.00 0.00 C ATOM 476 C THR A 29 0.024 -2.703 7.367 1.00 0.00 C ATOM 477 O THR A 29 0.940 -2.070 7.890 1.00 0.00 O ATOM 478 CB THR A 29 -2.429 -2.432 7.746 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.627 -2.285 7.001 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.503 -1.561 8.996 1.00 0.00 C ATOM 0 H THR A 29 -2.397 -2.753 5.309 1.00 0.00 H new ATOM 0 HA THR A 29 -1.092 -0.921 6.985 1.00 0.00 H new ATOM 0 HB THR A 29 -2.304 -3.475 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.595 -2.866 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.351 -1.871 9.606 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.583 -1.671 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.627 -0.518 8.706 1.00 0.00 H new ATOM 488 N LYS A 30 0.066 -4.017 7.185 1.00 0.00 N ATOM 489 CA LYS A 30 1.222 -4.788 7.602 1.00 0.00 C ATOM 490 C LYS A 30 2.466 -4.291 6.878 1.00 0.00 C ATOM 491 O LYS A 30 3.421 -3.833 7.507 1.00 0.00 O ATOM 492 CB LYS A 30 0.991 -6.265 7.290 1.00 0.00 C ATOM 493 CG LYS A 30 2.145 -7.102 7.854 1.00 0.00 C ATOM 494 CD LYS A 30 2.332 -8.358 7.001 1.00 0.00 C ATOM 495 CE LYS A 30 1.202 -9.359 7.281 1.00 0.00 C ATOM 496 NZ LYS A 30 1.749 -10.523 8.034 1.00 0.00 N ATOM 0 H LYS A 30 -0.681 -4.563 6.756 1.00 0.00 H new ATOM 0 HA LYS A 30 1.368 -4.667 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.046 -6.594 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.917 -6.411 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.064 -6.515 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.935 -7.379 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.339 -8.092 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.297 -8.816 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.410 -8.879 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.757 -9.694 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.985 -11.203 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.490 -10.985 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.154 -10.195 8.934 1.00 0.00 H new ATOM 510 N LEU A 31 2.446 -4.372 5.551 1.00 0.00 N ATOM 511 CA LEU A 31 3.576 -3.915 4.757 1.00 0.00 C ATOM 512 C LEU A 31 4.073 -2.573 5.282 1.00 0.00 C ATOM 513 O LEU A 31 5.231 -2.207 5.087 1.00 0.00 O ATOM 514 CB LEU A 31 3.150 -3.771 3.295 1.00 0.00 C ATOM 515 CG LEU A 31 4.337 -3.310 2.442 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.457 -4.356 2.507 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.873 -3.130 0.990 1.00 0.00 C ATOM 0 H LEU A 31 1.667 -4.746 5.009 1.00 0.00 H new ATOM 0 HA LEU A 31 4.382 -4.645 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.773 -4.724 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.334 -3.052 3.215 1.00 0.00 H new ATOM 0 HG LEU A 31 4.717 -2.362 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.299 -4.025 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.781 -4.479 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.088 -5.309 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.713 -2.802 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.495 -4.078 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.082 -2.382 0.951 1.00 0.00 H new ATOM 529 N ALA A 32 3.184 -1.850 5.953 1.00 0.00 N ATOM 530 CA ALA A 32 3.534 -0.548 6.511 1.00 0.00 C ATOM 531 C ALA A 32 4.281 -0.725 7.829 1.00 0.00 C ATOM 532 O ALA A 32 5.264 -0.035 8.100 1.00 0.00 O ATOM 533 CB ALA A 32 2.262 0.286 6.736 1.00 0.00 C ATOM 0 H ALA A 32 2.221 -2.140 6.124 1.00 0.00 H new ATOM 0 HA ALA A 32 4.181 -0.026 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.532 1.256 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.748 0.430 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.603 -0.236 7.430 1.00 0.00 H new ATOM 539 N GLN A 33 3.805 -1.659 8.639 1.00 0.00 N ATOM 540 CA GLN A 33 4.424 -1.934 9.930 1.00 0.00 C ATOM 541 C GLN A 33 5.683 -2.774 9.752 1.00 0.00 C ATOM 542 O GLN A 33 6.497 -2.896 10.667 1.00 0.00 O ATOM 543 CB GLN A 33 3.438 -2.671 10.839 1.00 0.00 C ATOM 544 CG GLN A 33 2.178 -1.821 11.020 1.00 0.00 C ATOM 545 CD GLN A 33 1.152 -2.582 11.852 1.00 0.00 C ATOM 546 OE1 GLN A 33 -0.014 -2.190 11.913 1.00 0.00 O ATOM 547 NE2 GLN A 33 1.518 -3.653 12.503 1.00 0.00 N ATOM 0 H GLN A 33 2.993 -2.239 8.427 1.00 0.00 H new ATOM 0 HA GLN A 33 4.697 -0.984 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.179 -3.637 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.898 -2.870 11.807 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.431 -0.881 11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.756 -1.570 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.484 -3.976 12.451 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.838 -4.167 13.063 1.00 0.00 H new ATOM 556 N SER A 34 5.831 -3.351 8.567 1.00 0.00 N ATOM 557 CA SER A 34 6.991 -4.180 8.270 1.00 0.00 C ATOM 558 C SER A 34 8.187 -3.299 7.957 1.00 0.00 C ATOM 559 O SER A 34 9.277 -3.494 8.494 1.00 0.00 O ATOM 560 CB SER A 34 6.695 -5.091 7.078 1.00 0.00 C ATOM 561 OG SER A 34 5.591 -5.930 7.391 1.00 0.00 O ATOM 0 H SER A 34 5.166 -3.261 7.799 1.00 0.00 H new ATOM 0 HA SER A 34 7.216 -4.797 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.473 -4.493 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.571 -5.696 6.841 1.00 0.00 H new ATOM 0 HG SER A 34 4.785 -5.383 7.500 1.00 0.00 H new ATOM 567 N ILE A 35 7.970 -2.315 7.092 1.00 0.00 N ATOM 568 CA ILE A 35 9.022 -1.393 6.720 1.00 0.00 C ATOM 569 C ILE A 35 8.885 -0.109 7.527 1.00 0.00 C ATOM 570 O ILE A 35 9.763 0.753 7.496 1.00 0.00 O ATOM 571 CB ILE A 35 8.944 -1.102 5.222 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.731 -0.213 4.922 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.812 -2.422 4.458 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.468 -0.185 3.409 1.00 0.00 C ATOM 0 H ILE A 35 7.073 -2.140 6.638 1.00 0.00 H new ATOM 0 HA ILE A 35 9.994 -1.837 6.937 1.00 0.00 H new ATOM 0 HB ILE A 35 9.850 -0.583 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.853 -0.591 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.910 0.798 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.756 -2.219 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.679 -3.050 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.907 -2.938 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.605 0.448 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.343 0.214 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.269 -1.197 3.055 1.00 0.00 H new ATOM 586 N SER A 36 7.776 0.001 8.264 1.00 0.00 N ATOM 587 CA SER A 36 7.529 1.178 9.100 1.00 0.00 C ATOM 588 C SER A 36 6.886 2.302 8.296 1.00 0.00 C ATOM 589 O SER A 36 6.963 3.471 8.674 1.00 0.00 O ATOM 590 CB SER A 36 8.838 1.675 9.719 1.00 0.00 C ATOM 591 OG SER A 36 9.430 2.638 8.856 1.00 0.00 O ATOM 0 H SER A 36 7.041 -0.705 8.299 1.00 0.00 H new ATOM 0 HA SER A 36 6.842 0.883 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.647 2.115 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.521 0.840 9.873 1.00 0.00 H new ATOM 0 HG SER A 36 9.808 2.187 8.072 1.00 0.00 H new ATOM 597 N CYS A 37 6.240 1.937 7.198 1.00 0.00 N ATOM 598 CA CYS A 37 5.566 2.914 6.352 1.00 0.00 C ATOM 599 C CYS A 37 4.084 2.948 6.701 1.00 0.00 C ATOM 600 O CYS A 37 3.651 2.275 7.633 1.00 0.00 O ATOM 601 CB CYS A 37 5.742 2.547 4.878 1.00 0.00 C ATOM 602 SG CYS A 37 7.323 3.197 4.281 1.00 0.00 S ATOM 0 H CYS A 37 6.168 0.973 6.872 1.00 0.00 H new ATOM 0 HA CYS A 37 6.004 3.897 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.712 1.464 4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.922 2.958 4.289 1.00 0.00 H new ATOM 0 HG CYS A 37 7.227 4.482 4.108 1.00 0.00 H new ATOM 608 N GLU A 38 3.312 3.731 5.954 1.00 0.00 N ATOM 609 CA GLU A 38 1.877 3.828 6.202 1.00 0.00 C ATOM 610 C GLU A 38 1.096 3.302 4.996 1.00 0.00 C ATOM 611 O GLU A 38 1.566 3.372 3.860 1.00 0.00 O ATOM 612 CB GLU A 38 1.492 5.284 6.504 1.00 0.00 C ATOM 613 CG GLU A 38 1.088 5.998 5.214 1.00 0.00 C ATOM 614 CD GLU A 38 1.069 7.507 5.432 1.00 0.00 C ATOM 615 OE1 GLU A 38 1.754 7.967 6.330 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.369 8.183 4.696 1.00 0.00 O ATOM 0 H GLU A 38 3.651 4.302 5.180 1.00 0.00 H new ATOM 0 HA GLU A 38 1.624 3.216 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.668 5.310 7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.331 5.802 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.787 5.747 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.104 5.657 4.894 1.00 0.00 H new ATOM 623 N GLU A 39 -0.095 2.776 5.258 1.00 0.00 N ATOM 624 CA GLU A 39 -0.942 2.233 4.195 1.00 0.00 C ATOM 625 C GLU A 39 -1.616 3.358 3.421 1.00 0.00 C ATOM 626 O GLU A 39 -2.083 3.169 2.298 1.00 0.00 O ATOM 627 CB GLU A 39 -2.014 1.297 4.775 1.00 0.00 C ATOM 628 CG GLU A 39 -2.687 1.928 6.001 1.00 0.00 C ATOM 629 CD GLU A 39 -3.404 3.215 5.605 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.983 3.241 4.532 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.364 4.155 6.383 1.00 0.00 O ATOM 0 H GLU A 39 -0.498 2.713 6.193 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.304 1.664 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.764 1.081 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.560 0.346 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.398 1.226 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.940 2.140 6.766 1.00 0.00 H new ATOM 638 N SER A 40 -1.681 4.519 4.050 1.00 0.00 N ATOM 639 CA SER A 40 -2.327 5.682 3.444 1.00 0.00 C ATOM 640 C SER A 40 -1.460 6.333 2.366 1.00 0.00 C ATOM 641 O SER A 40 -1.912 7.254 1.684 1.00 0.00 O ATOM 642 CB SER A 40 -2.650 6.714 4.525 1.00 0.00 C ATOM 643 OG SER A 40 -3.431 7.758 3.958 1.00 0.00 O ATOM 0 H SER A 40 -1.296 4.686 4.980 1.00 0.00 H new ATOM 0 HA SER A 40 -3.242 5.332 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.192 6.242 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.729 7.119 4.944 1.00 0.00 H new ATOM 0 HG SER A 40 -3.236 7.829 3.000 1.00 0.00 H new ATOM 649 N GLN A 41 -0.226 5.861 2.201 1.00 0.00 N ATOM 650 CA GLN A 41 0.663 6.426 1.187 1.00 0.00 C ATOM 651 C GLN A 41 1.097 5.337 0.219 1.00 0.00 C ATOM 652 O GLN A 41 1.400 5.597 -0.946 1.00 0.00 O ATOM 653 CB GLN A 41 1.887 7.057 1.858 1.00 0.00 C ATOM 654 CG GLN A 41 2.986 6.009 2.002 1.00 0.00 C ATOM 655 CD GLN A 41 4.047 6.489 2.984 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.813 5.686 3.516 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.140 7.761 3.257 1.00 0.00 N ATOM 0 H GLN A 41 0.177 5.100 2.747 1.00 0.00 H new ATOM 0 HA GLN A 41 0.130 7.199 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.247 7.898 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.615 7.451 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.558 5.068 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.441 5.813 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.504 8.425 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.848 8.092 3.912 1.00 0.00 H new ATOM 666 N ILE A 42 1.131 4.120 0.731 1.00 0.00 N ATOM 667 CA ILE A 42 1.534 2.971 -0.045 1.00 0.00 C ATOM 668 C ILE A 42 0.531 2.667 -1.154 1.00 0.00 C ATOM 669 O ILE A 42 -0.681 2.749 -0.960 1.00 0.00 O ATOM 670 CB ILE A 42 1.663 1.782 0.916 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.138 1.514 1.201 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.016 0.528 0.335 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.251 0.619 2.429 1.00 0.00 C ATOM 0 H ILE A 42 0.880 3.905 1.696 1.00 0.00 H new ATOM 0 HA ILE A 42 2.488 3.171 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 42 1.145 2.033 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.607 1.035 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.666 2.453 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.124 -0.297 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.043 0.715 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.504 0.269 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.302 0.422 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.796 1.117 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.736 -0.323 2.241 1.00 0.00 H new ATOM 685 N LYS A 43 1.065 2.294 -2.310 1.00 0.00 N ATOM 686 CA LYS A 43 0.244 1.946 -3.464 1.00 0.00 C ATOM 687 C LYS A 43 0.523 0.498 -3.855 1.00 0.00 C ATOM 688 O LYS A 43 1.665 0.135 -4.133 1.00 0.00 O ATOM 689 CB LYS A 43 0.569 2.868 -4.643 1.00 0.00 C ATOM 690 CG LYS A 43 0.355 4.333 -4.238 1.00 0.00 C ATOM 691 CD LYS A 43 -1.093 4.743 -4.524 1.00 0.00 C ATOM 692 CE LYS A 43 -1.336 6.164 -4.011 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.109 6.986 -4.217 1.00 0.00 N ATOM 0 H LYS A 43 2.069 2.224 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.808 2.065 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.601 2.717 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.065 2.621 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.577 4.464 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.041 4.976 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.291 4.694 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.780 4.049 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.179 6.612 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.597 6.140 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.344 7.993 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.608 6.722 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.266 6.817 -5.172 1.00 0.00 H new ATOM 707 N LEU A 44 -0.517 -0.329 -3.858 1.00 0.00 N ATOM 708 CA LEU A 44 -0.352 -1.739 -4.201 1.00 0.00 C ATOM 709 C LEU A 44 -0.658 -1.977 -5.679 1.00 0.00 C ATOM 710 O LEU A 44 -1.811 -1.912 -6.106 1.00 0.00 O ATOM 711 CB LEU A 44 -1.278 -2.599 -3.325 1.00 0.00 C ATOM 712 CG LEU A 44 -0.453 -3.397 -2.305 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.446 -4.401 -3.043 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.405 -2.438 -1.460 1.00 0.00 C ATOM 0 H LEU A 44 -1.472 -0.053 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 44 0.684 -2.022 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.994 -1.962 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.853 -3.281 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.126 -3.941 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.031 -4.967 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.173 -5.085 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.118 -3.864 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.988 -3.011 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.079 -1.883 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.244 -1.740 -0.930 1.00 0.00 H new ATOM 726 N ILE A 45 0.394 -2.232 -6.455 1.00 0.00 N ATOM 727 CA ILE A 45 0.257 -2.458 -7.887 1.00 0.00 C ATOM 728 C ILE A 45 0.246 -3.948 -8.206 1.00 0.00 C ATOM 729 O ILE A 45 1.193 -4.670 -7.889 1.00 0.00 O ATOM 730 CB ILE A 45 1.441 -1.823 -8.627 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.504 -0.294 -8.433 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.322 -2.129 -10.121 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.674 0.169 -7.242 1.00 0.00 C ATOM 0 H ILE A 45 1.353 -2.287 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.684 -2.010 -8.207 1.00 0.00 H new ATOM 0 HB ILE A 45 2.354 -2.249 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.541 0.010 -8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.147 0.200 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.161 -1.680 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.332 -3.208 -10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.388 -1.717 -10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.749 1.252 -7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.369 -0.110 -7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.047 -0.303 -6.333 1.00 0.00 H new ATOM 745 N TYR A 46 -0.820 -4.393 -8.862 1.00 0.00 N ATOM 746 CA TYR A 46 -0.940 -5.790 -9.259 1.00 0.00 C ATOM 747 C TYR A 46 -0.880 -5.880 -10.775 1.00 0.00 C ATOM 748 O TYR A 46 -1.815 -5.482 -11.469 1.00 0.00 O ATOM 749 CB TYR A 46 -2.264 -6.373 -8.759 1.00 0.00 C ATOM 750 CG TYR A 46 -2.358 -7.834 -9.139 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.449 -8.757 -8.604 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.356 -8.268 -10.021 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.539 -10.111 -8.951 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.445 -9.622 -10.367 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.536 -10.543 -9.831 1.00 0.00 C ATOM 756 OH TYR A 46 -2.624 -11.878 -10.173 1.00 0.00 O ATOM 0 H TYR A 46 -1.611 -3.808 -9.129 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.122 -6.361 -8.820 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.334 -6.264 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.100 -5.822 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.679 -8.424 -7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.057 -7.558 -10.434 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.838 -10.822 -8.539 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.215 -9.956 -11.047 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.452 -12.430 -9.382 1.00 0.00 H new ATOM 766 N SER A 47 0.230 -6.392 -11.282 1.00 0.00 N ATOM 767 CA SER A 47 0.408 -6.511 -12.720 1.00 0.00 C ATOM 768 C SER A 47 0.248 -5.152 -13.392 1.00 0.00 C ATOM 769 O SER A 47 -0.271 -5.059 -14.505 1.00 0.00 O ATOM 770 CB SER A 47 -0.608 -7.497 -13.296 1.00 0.00 C ATOM 771 OG SER A 47 -0.658 -8.654 -12.472 1.00 0.00 O ATOM 0 H SER A 47 1.015 -6.729 -10.725 1.00 0.00 H new ATOM 0 HA SER A 47 1.415 -6.881 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.592 -7.032 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.329 -7.772 -14.313 1.00 0.00 H new ATOM 0 HG SER A 47 -1.397 -8.570 -11.834 1.00 0.00 H new ATOM 777 N GLY A 48 0.701 -4.101 -12.714 1.00 0.00 N ATOM 778 CA GLY A 48 0.602 -2.755 -13.266 1.00 0.00 C ATOM 779 C GLY A 48 -0.785 -2.172 -13.035 1.00 0.00 C ATOM 780 O GLY A 48 -1.266 -1.362 -13.827 1.00 0.00 O ATOM 0 H GLY A 48 1.135 -4.154 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.352 -2.113 -12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.817 -2.779 -14.334 1.00 0.00 H new ATOM 784 N LYS A 49 -1.432 -2.592 -11.949 1.00 0.00 N ATOM 785 CA LYS A 49 -2.772 -2.102 -11.635 1.00 0.00 C ATOM 786 C LYS A 49 -2.842 -1.602 -10.199 1.00 0.00 C ATOM 787 O LYS A 49 -2.580 -2.349 -9.258 1.00 0.00 O ATOM 788 CB LYS A 49 -3.794 -3.224 -11.838 1.00 0.00 C ATOM 789 CG LYS A 49 -5.222 -2.667 -11.729 1.00 0.00 C ATOM 790 CD LYS A 49 -5.614 -1.926 -13.017 1.00 0.00 C ATOM 791 CE LYS A 49 -5.537 -2.874 -14.220 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.597 -2.512 -15.203 1.00 0.00 N ATOM 0 H LYS A 49 -1.055 -3.263 -11.279 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.001 -1.272 -12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.649 -3.685 -12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.642 -4.004 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.923 -3.481 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.290 -1.989 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.624 -1.528 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.950 -1.076 -13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.554 -2.808 -14.687 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.666 -3.906 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.547 -3.154 -16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.531 -2.597 -14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.454 -1.533 -15.523 1.00 0.00 H new ATOM 806 N VAL A 50 -3.204 -0.337 -10.040 1.00 0.00 N ATOM 807 CA VAL A 50 -3.307 0.255 -8.713 1.00 0.00 C ATOM 808 C VAL A 50 -4.461 -0.370 -7.929 1.00 0.00 C ATOM 809 O VAL A 50 -5.589 0.116 -7.973 1.00 0.00 O ATOM 810 CB VAL A 50 -3.511 1.771 -8.833 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.732 2.072 -9.713 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.723 2.371 -7.438 1.00 0.00 C ATOM 0 H VAL A 50 -3.430 0.296 -10.807 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.381 0.059 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.626 2.214 -9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.867 3.151 -9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.576 1.653 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.621 1.626 -9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.868 3.448 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.603 1.922 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.849 2.170 -6.819 1.00 0.00 H new ATOM 822 N LEU A 51 -4.169 -1.450 -7.209 1.00 0.00 N ATOM 823 CA LEU A 51 -5.186 -2.128 -6.418 1.00 0.00 C ATOM 824 C LEU A 51 -5.920 -1.135 -5.530 1.00 0.00 C ATOM 825 O LEU A 51 -5.526 0.026 -5.416 1.00 0.00 O ATOM 826 CB LEU A 51 -4.550 -3.197 -5.530 1.00 0.00 C ATOM 827 CG LEU A 51 -3.948 -4.317 -6.385 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.186 -5.297 -5.476 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.066 -5.061 -7.131 1.00 0.00 C ATOM 0 H LEU A 51 -3.241 -1.871 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.889 -2.594 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.774 -2.748 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.299 -3.610 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.261 -3.888 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.756 -6.095 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.388 -4.766 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.873 -5.725 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.632 -5.856 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.760 -5.492 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.600 -4.363 -7.776 1.00 0.00 H new ATOM 841 N GLN A 52 -6.983 -1.610 -4.895 1.00 0.00 N ATOM 842 CA GLN A 52 -7.774 -0.772 -3.997 1.00 0.00 C ATOM 843 C GLN A 52 -7.750 -1.351 -2.585 1.00 0.00 C ATOM 844 O GLN A 52 -7.275 -2.466 -2.369 1.00 0.00 O ATOM 845 CB GLN A 52 -9.223 -0.670 -4.494 1.00 0.00 C ATOM 846 CG GLN A 52 -9.267 -0.906 -6.004 1.00 0.00 C ATOM 847 CD GLN A 52 -8.335 0.070 -6.714 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.927 1.075 -6.133 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.971 -0.169 -7.944 1.00 0.00 N ATOM 0 H GLN A 52 -7.319 -2.569 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.338 0.227 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.846 -1.404 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.630 0.313 -4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.972 -1.931 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.286 -0.780 -6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.311 -1.003 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.347 0.478 -8.426 1.00 0.00 H new ATOM 858 N ASP A 53 -8.256 -0.583 -1.630 1.00 0.00 N ATOM 859 CA ASP A 53 -8.282 -1.015 -0.237 1.00 0.00 C ATOM 860 C ASP A 53 -9.451 -1.957 0.031 1.00 0.00 C ATOM 861 O ASP A 53 -9.532 -2.572 1.094 1.00 0.00 O ATOM 862 CB ASP A 53 -8.423 0.206 0.665 1.00 0.00 C ATOM 863 CG ASP A 53 -7.305 1.203 0.376 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.958 1.353 -0.784 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.813 1.799 1.319 1.00 0.00 O ATOM 0 H ASP A 53 -8.654 0.342 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.352 -1.545 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.392 0.678 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.388 -0.099 1.711 1.00 0.00 H new ATOM 870 N SER A 54 -10.370 -2.041 -0.921 1.00 0.00 N ATOM 871 CA SER A 54 -11.554 -2.883 -0.759 1.00 0.00 C ATOM 872 C SER A 54 -11.444 -4.203 -1.522 1.00 0.00 C ATOM 873 O SER A 54 -12.438 -4.916 -1.665 1.00 0.00 O ATOM 874 CB SER A 54 -12.789 -2.125 -1.246 1.00 0.00 C ATOM 875 OG SER A 54 -12.666 -1.874 -2.639 1.00 0.00 O ATOM 0 H SER A 54 -10.322 -1.541 -1.809 1.00 0.00 H new ATOM 0 HA SER A 54 -11.639 -3.121 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.689 -2.707 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.891 -1.185 -0.703 1.00 0.00 H new ATOM 0 HG SER A 54 -13.457 -1.390 -2.955 1.00 0.00 H new ATOM 881 N LYS A 55 -10.252 -4.542 -2.010 1.00 0.00 N ATOM 882 CA LYS A 55 -10.084 -5.794 -2.745 1.00 0.00 C ATOM 883 C LYS A 55 -9.439 -6.854 -1.866 1.00 0.00 C ATOM 884 O LYS A 55 -8.590 -6.548 -1.029 1.00 0.00 O ATOM 885 CB LYS A 55 -9.200 -5.578 -3.976 1.00 0.00 C ATOM 886 CG LYS A 55 -9.736 -4.422 -4.823 1.00 0.00 C ATOM 887 CD LYS A 55 -10.880 -4.903 -5.728 1.00 0.00 C ATOM 888 CE LYS A 55 -11.862 -3.753 -5.973 1.00 0.00 C ATOM 889 NZ LYS A 55 -12.918 -4.198 -6.927 1.00 0.00 N ATOM 0 H LYS A 55 -9.405 -3.981 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.074 -6.130 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.178 -5.365 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.168 -6.490 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.090 -3.621 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.933 -4.007 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.480 -5.261 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.397 -5.742 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.315 -3.440 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.334 -2.889 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.586 -3.418 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.478 -4.476 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.428 -5.010 -6.526 1.00 0.00 H new ATOM 903 N THR A 56 -9.828 -8.105 -2.076 1.00 0.00 N ATOM 904 CA THR A 56 -9.253 -9.205 -1.313 1.00 0.00 C ATOM 905 C THR A 56 -8.271 -9.973 -2.178 1.00 0.00 C ATOM 906 O THR A 56 -8.465 -10.110 -3.385 1.00 0.00 O ATOM 907 CB THR A 56 -10.343 -10.147 -0.800 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.182 -10.540 -1.876 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.164 -9.439 0.268 1.00 0.00 C ATOM 0 H THR A 56 -10.532 -8.382 -2.761 1.00 0.00 H new ATOM 0 HA THR A 56 -8.730 -8.788 -0.452 1.00 0.00 H new ATOM 0 HB THR A 56 -9.882 -11.035 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.878 -11.145 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.941 -10.110 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.515 -9.151 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.625 -8.548 -0.159 1.00 0.00 H new ATOM 917 N VAL A 57 -7.217 -10.473 -1.556 1.00 0.00 N ATOM 918 CA VAL A 57 -6.207 -11.227 -2.294 1.00 0.00 C ATOM 919 C VAL A 57 -6.890 -12.196 -3.245 1.00 0.00 C ATOM 920 O VAL A 57 -6.359 -12.532 -4.304 1.00 0.00 O ATOM 921 CB VAL A 57 -5.302 -11.993 -1.315 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.907 -13.357 -1.899 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.034 -11.175 -1.046 1.00 0.00 C ATOM 0 H VAL A 57 -7.036 -10.375 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.591 -10.536 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.850 -12.151 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.267 -13.884 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.805 -13.947 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.369 -13.210 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.392 -11.717 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.501 -11.012 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.307 -10.213 -0.612 1.00 0.00 H new ATOM 933 N SER A 58 -8.072 -12.637 -2.854 1.00 0.00 N ATOM 934 CA SER A 58 -8.835 -13.568 -3.664 1.00 0.00 C ATOM 935 C SER A 58 -9.330 -12.887 -4.933 1.00 0.00 C ATOM 936 O SER A 58 -9.331 -13.485 -6.009 1.00 0.00 O ATOM 937 CB SER A 58 -10.023 -14.087 -2.862 1.00 0.00 C ATOM 938 OG SER A 58 -10.602 -15.195 -3.538 1.00 0.00 O ATOM 0 H SER A 58 -8.524 -12.365 -1.981 1.00 0.00 H new ATOM 0 HA SER A 58 -8.191 -14.402 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.700 -14.384 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.763 -13.297 -2.735 1.00 0.00 H new ATOM 0 HG SER A 58 -11.365 -15.530 -3.022 1.00 0.00 H new ATOM 944 N GLU A 59 -9.752 -11.632 -4.804 1.00 0.00 N ATOM 945 CA GLU A 59 -10.245 -10.888 -5.951 1.00 0.00 C ATOM 946 C GLU A 59 -9.087 -10.232 -6.704 1.00 0.00 C ATOM 947 O GLU A 59 -9.132 -10.093 -7.926 1.00 0.00 O ATOM 948 CB GLU A 59 -11.275 -9.849 -5.485 1.00 0.00 C ATOM 949 CG GLU A 59 -10.598 -8.508 -5.207 1.00 0.00 C ATOM 950 CD GLU A 59 -10.379 -7.752 -6.513 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.331 -7.618 -7.264 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.264 -7.317 -6.744 1.00 0.00 O ATOM 0 H GLU A 59 -9.761 -11.116 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.736 -11.572 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.043 -9.723 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.775 -10.204 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.214 -7.914 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.643 -8.670 -4.707 1.00 0.00 H new ATOM 959 N CYS A 60 -8.047 -9.836 -5.970 1.00 0.00 N ATOM 960 CA CYS A 60 -6.888 -9.206 -6.592 1.00 0.00 C ATOM 961 C CYS A 60 -6.215 -10.177 -7.557 1.00 0.00 C ATOM 962 O CYS A 60 -5.533 -9.764 -8.494 1.00 0.00 O ATOM 963 CB CYS A 60 -5.892 -8.773 -5.515 1.00 0.00 C ATOM 964 SG CYS A 60 -6.798 -8.116 -4.091 1.00 0.00 S ATOM 0 H CYS A 60 -7.985 -9.939 -4.957 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.220 -8.329 -7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.277 -9.620 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.216 -8.015 -5.912 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.877 -8.817 -3.902 1.00 0.00 H new ATOM 970 N GLY A 61 -6.428 -11.470 -7.328 1.00 0.00 N ATOM 971 CA GLY A 61 -5.854 -12.497 -8.190 1.00 0.00 C ATOM 972 C GLY A 61 -4.540 -13.029 -7.632 1.00 0.00 C ATOM 973 O GLY A 61 -3.864 -13.829 -8.279 1.00 0.00 O ATOM 0 H GLY A 61 -6.991 -11.829 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.562 -13.318 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.687 -12.085 -9.185 1.00 0.00 H new ATOM 977 N LEU A 62 -4.175 -12.587 -6.432 1.00 0.00 N ATOM 978 CA LEU A 62 -2.937 -13.037 -5.821 1.00 0.00 C ATOM 979 C LEU A 62 -3.058 -14.476 -5.354 1.00 0.00 C ATOM 980 O LEU A 62 -4.105 -14.899 -4.862 1.00 0.00 O ATOM 981 CB LEU A 62 -2.583 -12.141 -4.636 1.00 0.00 C ATOM 982 CG LEU A 62 -2.094 -10.792 -5.150 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.286 -9.732 -4.066 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.612 -10.891 -5.519 1.00 0.00 C ATOM 0 H LEU A 62 -4.714 -11.926 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.146 -12.979 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.455 -12.004 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.811 -12.612 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.667 -10.511 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.936 -8.768 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.343 -9.661 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.716 -10.011 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.263 -9.926 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.036 -11.174 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.480 -11.644 -6.296 1.00 0.00 H new ATOM 996 N LYS A 63 -1.973 -15.220 -5.511 1.00 0.00 N ATOM 997 CA LYS A 63 -1.946 -16.617 -5.104 1.00 0.00 C ATOM 998 C LYS A 63 -0.770 -16.876 -4.165 1.00 0.00 C ATOM 999 O LYS A 63 -0.215 -15.945 -3.583 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.867 -17.521 -6.338 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.650 -17.148 -7.193 1.00 0.00 C ATOM 1002 CD LYS A 63 0.618 -17.764 -6.592 1.00 0.00 C ATOM 1003 CE LYS A 63 1.661 -17.994 -7.693 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.029 -17.851 -7.117 1.00 0.00 N ATOM 0 H LYS A 63 -1.101 -14.880 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.866 -16.846 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.797 -18.564 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.778 -17.423 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.789 -17.504 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.549 -16.064 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.025 -17.104 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.378 -18.709 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.538 -18.988 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.518 -17.276 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.681 -18.498 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.357 -16.872 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.005 -18.084 -6.104 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.408 -18.142 -4.011 1.00 0.00 N ATOM 1019 CA ASP A 64 0.690 -18.513 -3.126 1.00 0.00 C ATOM 1020 C ASP A 64 2.042 -18.358 -3.812 1.00 0.00 C ATOM 1021 O ASP A 64 2.298 -18.957 -4.856 1.00 0.00 O ATOM 1022 CB ASP A 64 0.517 -19.962 -2.666 1.00 0.00 C ATOM 1023 CG ASP A 64 0.253 -20.863 -3.868 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.845 -20.805 -4.398 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.152 -21.597 -4.242 1.00 0.00 O ATOM 0 H ASP A 64 -0.855 -18.927 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 64 0.666 -17.842 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.412 -20.295 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.311 -20.032 -1.960 1.00 0.00 H new ATOM 1030 N GLY A 65 2.912 -17.569 -3.194 1.00 0.00 N ATOM 1031 CA GLY A 65 4.258 -17.355 -3.725 1.00 0.00 C ATOM 1032 C GLY A 65 4.299 -16.292 -4.826 1.00 0.00 C ATOM 1033 O GLY A 65 5.347 -16.076 -5.436 1.00 0.00 O ATOM 0 H GLY A 65 2.714 -17.067 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.921 -17.056 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.642 -18.296 -4.120 1.00 0.00 H new ATOM 1037 N ASP A 66 3.175 -15.629 -5.087 1.00 0.00 N ATOM 1038 CA ASP A 66 3.148 -14.603 -6.130 1.00 0.00 C ATOM 1039 C ASP A 66 3.968 -13.384 -5.707 1.00 0.00 C ATOM 1040 O ASP A 66 4.703 -13.424 -4.721 1.00 0.00 O ATOM 1041 CB ASP A 66 1.698 -14.177 -6.428 1.00 0.00 C ATOM 1042 CG ASP A 66 1.445 -14.147 -7.935 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.968 -15.005 -8.624 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.727 -13.264 -8.376 1.00 0.00 O ATOM 0 H ASP A 66 2.289 -15.777 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 66 3.587 -15.026 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.004 -14.870 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.508 -13.192 -6.002 1.00 0.00 H new ATOM 1049 N GLN A 67 3.830 -12.298 -6.462 1.00 0.00 N ATOM 1050 CA GLN A 67 4.550 -11.066 -6.163 1.00 0.00 C ATOM 1051 C GLN A 67 3.669 -9.865 -6.484 1.00 0.00 C ATOM 1052 O GLN A 67 2.935 -9.876 -7.472 1.00 0.00 O ATOM 1053 CB GLN A 67 5.841 -11.003 -6.983 1.00 0.00 C ATOM 1054 CG GLN A 67 5.511 -10.698 -8.447 1.00 0.00 C ATOM 1055 CD GLN A 67 6.718 -11.001 -9.327 1.00 0.00 C ATOM 1056 OE1 GLN A 67 7.843 -11.082 -8.833 1.00 0.00 O ATOM 1057 NE2 GLN A 67 6.552 -11.173 -10.609 1.00 0.00 N ATOM 0 H GLN A 67 3.227 -12.247 -7.283 1.00 0.00 H new ATOM 0 HA GLN A 67 4.805 -11.049 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.501 -10.234 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.375 -11.950 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.657 -11.295 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.226 -9.651 -8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.619 -11.105 -11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.355 -11.375 -11.205 1.00 0.00 H new ATOM 1066 N VAL A 68 3.732 -8.838 -5.641 1.00 0.00 N ATOM 1067 CA VAL A 68 2.915 -7.648 -5.849 1.00 0.00 C ATOM 1068 C VAL A 68 3.784 -6.401 -5.954 1.00 0.00 C ATOM 1069 O VAL A 68 4.519 -6.062 -5.027 1.00 0.00 O ATOM 1070 CB VAL A 68 1.929 -7.487 -4.681 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.582 -6.980 -5.206 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.730 -8.837 -3.985 1.00 0.00 C ATOM 0 H VAL A 68 4.333 -8.806 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 68 2.367 -7.768 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 68 2.333 -6.767 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.114 -6.867 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.722 -6.016 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.178 -7.695 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.031 -8.720 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.331 -9.559 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.687 -9.194 -3.604 1.00 0.00 H new ATOM 1082 N VAL A 69 3.678 -5.706 -7.077 1.00 0.00 N ATOM 1083 CA VAL A 69 4.438 -4.488 -7.269 1.00 0.00 C ATOM 1084 C VAL A 69 3.833 -3.393 -6.408 1.00 0.00 C ATOM 1085 O VAL A 69 2.617 -3.315 -6.267 1.00 0.00 O ATOM 1086 CB VAL A 69 4.411 -4.073 -8.742 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.182 -2.763 -8.924 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.065 -5.167 -9.589 1.00 0.00 C ATOM 0 H VAL A 69 3.078 -5.964 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 69 5.475 -4.655 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 69 3.378 -3.931 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.160 -2.471 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.720 -1.982 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.216 -2.902 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.047 -4.874 -10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.098 -5.307 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.517 -6.101 -9.464 1.00 0.00 H new ATOM 1098 N PHE A 70 4.679 -2.564 -5.817 1.00 0.00 N ATOM 1099 CA PHE A 70 4.187 -1.490 -4.958 1.00 0.00 C ATOM 1100 C PHE A 70 5.190 -0.345 -4.862 1.00 0.00 C ATOM 1101 O PHE A 70 6.325 -0.455 -5.325 1.00 0.00 O ATOM 1102 CB PHE A 70 3.897 -2.039 -3.556 1.00 0.00 C ATOM 1103 CG PHE A 70 5.149 -1.971 -2.709 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.170 -2.912 -2.888 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.288 -0.962 -1.749 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.329 -2.844 -2.106 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.445 -0.893 -0.968 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.467 -1.834 -1.147 1.00 0.00 C ATOM 0 H PHE A 70 5.694 -2.609 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 70 3.271 -1.100 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.099 -1.463 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.549 -3.070 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.063 -3.690 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.500 -0.236 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.116 -3.571 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.551 -0.115 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.362 -1.780 -0.545 1.00 0.00 H new ATOM 1118 N MET A 71 4.754 0.749 -4.242 1.00 0.00 N ATOM 1119 CA MET A 71 5.607 1.920 -4.066 1.00 0.00 C ATOM 1120 C MET A 71 5.074 2.790 -2.928 1.00 0.00 C ATOM 1121 O MET A 71 3.865 2.859 -2.704 1.00 0.00 O ATOM 1122 CB MET A 71 5.655 2.737 -5.367 1.00 0.00 C ATOM 1123 CG MET A 71 7.019 2.564 -6.044 1.00 0.00 C ATOM 1124 SD MET A 71 8.292 3.394 -5.061 1.00 0.00 S ATOM 1125 CE MET A 71 8.174 5.013 -5.857 1.00 0.00 C ATOM 0 H MET A 71 3.816 0.848 -3.854 1.00 0.00 H new ATOM 0 HA MET A 71 6.615 1.587 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.862 2.412 -6.040 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.478 3.791 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.255 1.505 -6.144 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.993 2.981 -7.051 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.887 5.697 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 71 8.399 4.914 -6.919 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.164 5.406 -5.735 1.00 0.00 H new ATOM 1135 N VAL A 72 5.979 3.451 -2.212 1.00 0.00 N ATOM 1136 CA VAL A 72 5.583 4.314 -1.100 1.00 0.00 C ATOM 1137 C VAL A 72 5.612 5.779 -1.519 1.00 0.00 C ATOM 1138 O VAL A 72 6.574 6.240 -2.133 1.00 0.00 O ATOM 1139 CB VAL A 72 6.523 4.102 0.089 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.940 4.783 1.331 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.674 2.603 0.357 1.00 0.00 C ATOM 0 H VAL A 72 6.984 3.408 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 72 4.566 4.052 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 72 7.498 4.533 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.610 4.632 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.829 5.851 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.965 4.352 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.343 2.450 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.698 2.174 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.088 2.116 -0.525 1.00 0.00 H new ATOM 1151 N SER A 73 4.550 6.506 -1.185 1.00 0.00 N ATOM 1152 CA SER A 73 4.463 7.921 -1.533 1.00 0.00 C ATOM 1153 C SER A 73 5.046 8.788 -0.419 1.00 0.00 C ATOM 1154 O SER A 73 5.259 8.321 0.698 1.00 0.00 O ATOM 1155 CB SER A 73 3.002 8.307 -1.778 1.00 0.00 C ATOM 1156 OG SER A 73 2.635 7.932 -3.099 1.00 0.00 O ATOM 0 H SER A 73 3.743 6.143 -0.678 1.00 0.00 H new ATOM 0 HA SER A 73 5.040 8.089 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.356 7.811 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.869 9.380 -1.642 1.00 0.00 H new ATOM 0 HG SER A 73 1.843 8.439 -3.375 1.00 0.00 H new ATOM 1162 N GLN A 74 5.304 10.054 -0.738 1.00 0.00 N ATOM 1163 CA GLN A 74 5.866 10.981 0.240 1.00 0.00 C ATOM 1164 C GLN A 74 5.120 10.885 1.567 1.00 0.00 C ATOM 1165 O GLN A 74 3.979 10.425 1.619 1.00 0.00 O ATOM 1166 CB GLN A 74 5.782 12.415 -0.291 1.00 0.00 C ATOM 1167 CG GLN A 74 4.355 12.708 -0.765 1.00 0.00 C ATOM 1168 CD GLN A 74 4.132 12.117 -2.154 1.00 0.00 C ATOM 1169 OE1 GLN A 74 5.057 12.071 -2.966 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.954 11.661 -2.478 1.00 0.00 N ATOM 0 H GLN A 74 5.134 10.459 -1.659 1.00 0.00 H new ATOM 0 HA GLN A 74 6.910 10.713 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.068 13.119 0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.484 12.550 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.636 12.286 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.185 13.784 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.189 11.700 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.798 11.265 -3.405 1.00 0.00 H new ATOM 1179 N LYS A 75 5.774 11.322 2.639 1.00 0.00 N ATOM 1180 CA LYS A 75 5.167 11.280 3.965 1.00 0.00 C ATOM 1181 C LYS A 75 4.291 12.509 4.196 1.00 0.00 C ATOM 1182 O LYS A 75 4.298 13.446 3.399 1.00 0.00 O ATOM 1183 CB LYS A 75 6.261 11.224 5.034 1.00 0.00 C ATOM 1184 CG LYS A 75 7.000 9.883 4.943 1.00 0.00 C ATOM 1185 CD LYS A 75 8.490 10.096 5.211 1.00 0.00 C ATOM 1186 CE LYS A 75 9.179 8.742 5.367 1.00 0.00 C ATOM 1187 NZ LYS A 75 10.650 8.911 5.208 1.00 0.00 N ATOM 0 H LYS A 75 6.718 11.707 2.616 1.00 0.00 H new ATOM 0 HA LYS A 75 4.544 10.388 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.962 12.047 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.822 11.343 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.588 9.180 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.857 9.445 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.942 10.653 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.626 10.691 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.955 8.319 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.800 8.042 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.119 7.989 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.855 9.297 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.005 9.565 5.934 1.00 0.00 H new ATOM 1201 N LYS A 76 3.538 12.495 5.291 1.00 0.00 N ATOM 1202 CA LYS A 76 2.659 13.611 5.618 1.00 0.00 C ATOM 1203 C LYS A 76 3.444 14.920 5.653 1.00 0.00 C ATOM 1204 O LYS A 76 2.861 16.002 5.726 1.00 0.00 O ATOM 1205 CB LYS A 76 1.997 13.374 6.979 1.00 0.00 C ATOM 1206 CG LYS A 76 0.855 12.359 6.835 1.00 0.00 C ATOM 1207 CD LYS A 76 -0.445 13.089 6.484 1.00 0.00 C ATOM 1208 CE LYS A 76 -1.581 12.074 6.348 1.00 0.00 C ATOM 1209 NZ LYS A 76 -2.791 12.754 5.804 1.00 0.00 N ATOM 0 H LYS A 76 3.519 11.728 5.963 1.00 0.00 H new ATOM 0 HA LYS A 76 1.891 13.682 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.734 13.006 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.612 14.314 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.097 11.633 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.731 11.802 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.685 13.818 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.324 13.642 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.280 11.261 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.805 11.630 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.564 12.065 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.082 13.515 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.573 13.157 4.871 1.00 0.00 H new ATOM 1223 N SER A 77 4.767 14.814 5.601 1.00 0.00 N ATOM 1224 CA SER A 77 5.620 15.997 5.628 1.00 0.00 C ATOM 1225 C SER A 77 5.562 16.731 4.292 1.00 0.00 C ATOM 1226 O SER A 77 6.409 16.527 3.423 1.00 0.00 O ATOM 1227 CB SER A 77 7.063 15.594 5.927 1.00 0.00 C ATOM 1228 OG SER A 77 7.163 15.181 7.283 1.00 0.00 O ATOM 0 H SER A 77 5.269 13.928 5.540 1.00 0.00 H new ATOM 0 HA SER A 77 5.259 16.663 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.372 14.785 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.733 16.433 5.740 1.00 0.00 H new ATOM 0 HG SER A 77 8.087 14.920 7.478 1.00 0.00 H new ATOM 1234 N THR A 78 4.556 17.587 4.136 1.00 0.00 N ATOM 1235 CA THR A 78 4.397 18.347 2.901 1.00 0.00 C ATOM 1236 C THR A 78 3.548 19.590 3.142 1.00 0.00 C ATOM 1237 O THR A 78 4.089 20.568 3.631 1.00 0.00 O ATOM 1238 CB THR A 78 3.735 17.475 1.831 1.00 0.00 C ATOM 1239 OG1 THR A 78 3.144 18.307 0.843 1.00 0.00 O ATOM 1240 CG2 THR A 78 2.658 16.602 2.478 1.00 0.00 C ATOM 0 H THR A 78 3.844 17.771 4.843 1.00 0.00 H new ATOM 0 HA THR A 78 5.385 18.656 2.558 1.00 0.00 H new ATOM 0 HB THR A 78 4.486 16.836 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.721 17.750 0.156 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.187 15.981 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.113 15.964 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.906 17.238 2.944 1.00 0.00 H new TER 1248 THR A 78