USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 83 LYS NZ :NH3+ -142:sc= 1.25 (180deg=-0.47) USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= 1.02 USER MOD Set 2.1: A 29 SER OG : rot -61:sc= 1.5 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 1.26 K(o=2.8,f=-11!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 146:sc= 0.527 (180deg=-2.37!) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 137:sc= 0.251 (180deg=-2.87!) USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= 0.506 (180deg=-2.78!) USER MOD Single : A 14 HIS : no HE2:sc= 0.671 K(o=0.67,f=-5.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -152:sc= -1.01 (180deg=-2.63!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= -0.119 (180deg=-0.223) USER MOD Single : A 33 GLN : amide:sc= 0.743 K(o=0.74,f=-0.43) USER MOD Single : A 35 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= -0.876 (180deg=-5.96!) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= -0.14 (180deg=-0.687) USER MOD Single : A 59 ASN : amide:sc= -0.396 K(o=-0.4,f=-3.2!) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.328) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -125:sc= 0.636 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.567 (180deg=-0.747) USER MOD Single : A 73 TYR OH : rot -140:sc= -0.418 USER MOD Single : A 76 LYS NZ :NH3+ -121:sc= 0.988 (180deg=-0.131) USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= -0.395! (180deg=-0.782!) USER MOD Single : A 82 LYS NZ :NH3+ 136:sc= -0.451! (180deg=-3.08!) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.953 6.824 10.130 1.00 1.17 N ATOM 32 CA ALA A 3 3.135 7.025 11.366 1.00 1.15 C ATOM 33 C ALA A 3 3.976 7.760 12.420 1.00 0.97 C ATOM 34 O ALA A 3 3.584 8.796 12.912 1.00 1.11 O ATOM 35 CB ALA A 3 2.679 5.618 11.848 1.00 1.13 C ATOM 0 HA ALA A 3 2.255 7.640 11.179 1.00 1.15 H new ATOM 0 HB1 ALA A 3 2.077 5.720 12.751 1.00 1.13 H new ATOM 0 HB2 ALA A 3 2.085 5.141 11.068 1.00 1.13 H new ATOM 0 HB3 ALA A 3 3.555 5.006 12.063 1.00 1.13 H new ATOM 41 N GLU A 4 5.119 7.174 12.713 1.00 0.73 N ATOM 42 CA GLU A 4 6.080 7.745 13.718 1.00 0.60 C ATOM 43 C GLU A 4 6.416 9.207 13.490 1.00 0.61 C ATOM 44 O GLU A 4 6.700 9.932 14.414 1.00 0.63 O ATOM 45 CB GLU A 4 7.442 7.091 13.702 1.00 0.37 C ATOM 46 CG GLU A 4 7.481 5.564 13.876 1.00 0.19 C ATOM 47 CD GLU A 4 8.970 5.192 13.818 1.00 0.27 C ATOM 48 OE1 GLU A 4 9.635 5.522 14.783 1.00 0.43 O ATOM 49 OE2 GLU A 4 9.356 4.624 12.813 1.00 0.53 O ATOM 0 H GLU A 4 5.432 6.302 12.286 1.00 0.73 H new ATOM 0 HA GLU A 4 5.538 7.576 14.648 1.00 0.60 H new ATOM 0 HB2 GLU A 4 7.926 7.337 12.757 1.00 0.37 H new ATOM 0 HB3 GLU A 4 8.043 7.538 14.494 1.00 0.37 H new ATOM 0 HG2 GLU A 4 7.037 5.264 14.825 1.00 0.19 H new ATOM 0 HG3 GLU A 4 6.919 5.063 13.088 1.00 0.19 H new ATOM 56 N PHE A 5 6.379 9.608 12.268 1.00 0.58 N ATOM 57 CA PHE A 5 6.713 11.028 11.953 1.00 0.46 C ATOM 58 C PHE A 5 5.471 11.841 12.210 1.00 0.49 C ATOM 59 O PHE A 5 5.592 12.803 12.928 1.00 0.47 O ATOM 60 CB PHE A 5 7.148 11.109 10.508 1.00 0.38 C ATOM 61 CG PHE A 5 7.336 12.576 10.077 1.00 0.23 C ATOM 62 CD1 PHE A 5 8.525 13.254 10.282 1.00 0.16 C ATOM 63 CD2 PHE A 5 6.298 13.241 9.464 1.00 0.28 C ATOM 64 CE1 PHE A 5 8.677 14.567 9.879 1.00 0.23 C ATOM 65 CE2 PHE A 5 6.445 14.542 9.066 1.00 0.17 C ATOM 66 CZ PHE A 5 7.629 15.211 9.266 1.00 0.18 C ATOM 0 H PHE A 5 6.134 9.026 11.467 1.00 0.58 H new ATOM 0 HA PHE A 5 7.527 11.412 12.568 1.00 0.46 H new ATOM 0 HB2 PHE A 5 8.081 10.563 10.373 1.00 0.38 H new ATOM 0 HB3 PHE A 5 6.404 10.630 9.872 1.00 0.38 H new ATOM 0 HD1 PHE A 5 9.348 12.748 10.765 1.00 0.16 H new ATOM 0 HD2 PHE A 5 5.360 12.732 9.296 1.00 0.28 H new ATOM 0 HE1 PHE A 5 9.611 15.083 10.044 1.00 0.23 H new ATOM 0 HE2 PHE A 5 5.620 15.050 8.589 1.00 0.17 H new ATOM 0 HZ PHE A 5 7.735 16.236 8.943 1.00 0.18 H new ATOM 76 N ASP A 6 4.339 11.488 11.656 1.00 0.53 N ATOM 77 CA ASP A 6 3.109 12.286 11.927 1.00 0.53 C ATOM 78 C ASP A 6 3.054 12.394 13.470 1.00 0.53 C ATOM 79 O ASP A 6 2.831 13.431 14.063 1.00 0.50 O ATOM 80 CB ASP A 6 2.027 11.480 11.276 1.00 0.58 C ATOM 81 CG ASP A 6 2.399 11.308 9.809 1.00 0.65 C ATOM 82 OD1 ASP A 6 2.554 12.280 9.089 1.00 1.60 O ATOM 83 OD2 ASP A 6 2.521 10.146 9.488 1.00 2.53 O ATOM 0 H ASP A 6 4.215 10.689 11.034 1.00 0.53 H new ATOM 0 HA ASP A 6 3.041 13.303 11.541 1.00 0.53 H new ATOM 0 HB2 ASP A 6 1.928 10.509 11.762 1.00 0.58 H new ATOM 0 HB3 ASP A 6 1.065 11.984 11.370 1.00 0.58 H new ATOM 88 N LYS A 7 3.273 11.265 14.090 1.00 0.60 N ATOM 89 CA LYS A 7 3.287 11.186 15.569 1.00 0.68 C ATOM 90 C LYS A 7 4.319 12.229 16.055 1.00 0.61 C ATOM 91 O LYS A 7 3.974 13.069 16.852 1.00 0.63 O ATOM 92 CB LYS A 7 3.698 9.764 15.945 1.00 0.82 C ATOM 93 CG LYS A 7 3.838 9.601 17.475 1.00 1.05 C ATOM 94 CD LYS A 7 4.689 8.321 17.729 1.00 1.56 C ATOM 95 CE LYS A 7 4.955 8.105 19.230 1.00 2.33 C ATOM 96 NZ LYS A 7 5.859 9.194 19.711 1.00 3.81 N ATOM 0 H LYS A 7 3.446 10.378 13.617 1.00 0.60 H new ATOM 0 HA LYS A 7 2.320 11.398 16.026 1.00 0.68 H new ATOM 0 HB2 LYS A 7 2.957 9.059 15.569 1.00 0.82 H new ATOM 0 HB3 LYS A 7 4.645 9.518 15.464 1.00 0.82 H new ATOM 0 HG2 LYS A 7 4.320 10.476 17.912 1.00 1.05 H new ATOM 0 HG3 LYS A 7 2.858 9.510 17.943 1.00 1.05 H new ATOM 0 HD2 LYS A 7 4.171 7.453 17.322 1.00 1.56 H new ATOM 0 HD3 LYS A 7 5.638 8.403 17.199 1.00 1.56 H new ATOM 0 HE2 LYS A 7 4.018 8.117 19.787 1.00 2.33 H new ATOM 0 HE3 LYS A 7 5.413 7.130 19.397 1.00 2.33 H new ATOM 0 HZ1 LYS A 7 5.523 9.543 20.631 1.00 3.81 H new ATOM 0 HZ2 LYS A 7 6.825 8.823 19.813 1.00 3.81 H new ATOM 0 HZ3 LYS A 7 5.859 9.974 19.023 1.00 3.81 H new ATOM 110 N ALA A 8 5.549 12.203 15.595 1.00 0.51 N ATOM 111 CA ALA A 8 6.522 13.234 16.098 1.00 0.44 C ATOM 112 C ALA A 8 6.071 14.704 15.839 1.00 0.45 C ATOM 113 O ALA A 8 6.035 15.555 16.712 1.00 0.44 O ATOM 114 CB ALA A 8 7.866 12.903 15.418 1.00 0.42 C ATOM 0 H ALA A 8 5.916 11.537 14.915 1.00 0.51 H new ATOM 0 HA ALA A 8 6.597 13.185 17.184 1.00 0.44 H new ATOM 0 HB1 ALA A 8 8.623 13.618 15.741 1.00 0.42 H new ATOM 0 HB2 ALA A 8 8.176 11.896 15.696 1.00 0.42 H new ATOM 0 HB3 ALA A 8 7.750 12.961 14.336 1.00 0.42 H new ATOM 120 N ALA A 9 5.723 14.939 14.616 1.00 0.46 N ATOM 121 CA ALA A 9 5.262 16.284 14.129 1.00 0.45 C ATOM 122 C ALA A 9 4.073 16.790 14.945 1.00 0.50 C ATOM 123 O ALA A 9 4.056 17.919 15.413 1.00 0.49 O ATOM 124 CB ALA A 9 4.895 16.149 12.656 1.00 0.43 C ATOM 0 H ALA A 9 5.736 14.225 13.888 1.00 0.46 H new ATOM 0 HA ALA A 9 6.061 17.016 14.251 1.00 0.45 H new ATOM 0 HB1 ALA A 9 4.556 17.113 12.276 1.00 0.43 H new ATOM 0 HB2 ALA A 9 5.769 15.823 12.092 1.00 0.43 H new ATOM 0 HB3 ALA A 9 4.097 15.415 12.546 1.00 0.43 H new ATOM 130 N GLU A 10 3.107 15.934 15.138 1.00 0.52 N ATOM 131 CA GLU A 10 1.916 16.344 15.912 1.00 0.54 C ATOM 132 C GLU A 10 2.375 16.442 17.379 1.00 0.57 C ATOM 133 O GLU A 10 2.005 17.399 18.029 1.00 0.56 O ATOM 134 CB GLU A 10 0.810 15.270 15.695 1.00 0.63 C ATOM 135 CG GLU A 10 0.201 15.362 14.248 1.00 3.10 C ATOM 136 CD GLU A 10 -0.457 16.725 13.973 1.00 3.69 C ATOM 137 OE1 GLU A 10 0.245 17.629 13.552 1.00 4.43 O ATOM 138 OE2 GLU A 10 -1.649 16.845 14.205 1.00 4.52 O ATOM 0 H GLU A 10 3.096 14.974 14.793 1.00 0.52 H new ATOM 0 HA GLU A 10 1.499 17.303 15.605 1.00 0.54 H new ATOM 0 HB2 GLU A 10 1.229 14.276 15.853 1.00 0.63 H new ATOM 0 HB3 GLU A 10 0.020 15.404 16.434 1.00 0.63 H new ATOM 0 HG2 GLU A 10 0.988 15.187 13.514 1.00 3.10 H new ATOM 0 HG3 GLU A 10 -0.538 14.572 14.117 1.00 3.10 H new ATOM 145 N GLU A 11 3.141 15.506 17.882 1.00 0.60 N ATOM 146 CA GLU A 11 3.590 15.598 19.297 1.00 0.65 C ATOM 147 C GLU A 11 4.205 16.981 19.563 1.00 0.54 C ATOM 148 O GLU A 11 3.808 17.646 20.498 1.00 0.71 O ATOM 149 CB GLU A 11 4.619 14.468 19.538 1.00 0.68 C ATOM 150 CG GLU A 11 3.949 13.127 20.025 1.00 0.75 C ATOM 151 CD GLU A 11 4.971 11.991 20.186 1.00 1.04 C ATOM 152 OE1 GLU A 11 5.720 11.735 19.257 1.00 3.16 O ATOM 153 OE2 GLU A 11 4.978 11.384 21.248 1.00 1.36 O ATOM 0 H GLU A 11 3.472 14.686 17.373 1.00 0.60 H new ATOM 0 HA GLU A 11 2.750 15.479 19.982 1.00 0.65 H new ATOM 0 HB2 GLU A 11 5.169 14.280 18.616 1.00 0.68 H new ATOM 0 HB3 GLU A 11 5.346 14.797 20.281 1.00 0.68 H new ATOM 0 HG2 GLU A 11 3.447 13.299 20.977 1.00 0.75 H new ATOM 0 HG3 GLU A 11 3.183 12.825 19.311 1.00 0.75 H new ATOM 160 N VAL A 12 5.143 17.398 18.745 1.00 0.37 N ATOM 161 CA VAL A 12 5.775 18.747 18.967 1.00 0.42 C ATOM 162 C VAL A 12 4.645 19.769 18.883 1.00 0.74 C ATOM 163 O VAL A 12 4.528 20.613 19.751 1.00 0.99 O ATOM 164 CB VAL A 12 6.893 18.928 17.880 1.00 0.31 C ATOM 165 CG1 VAL A 12 6.523 19.813 16.666 1.00 0.24 C ATOM 166 CG2 VAL A 12 8.154 19.510 18.518 1.00 0.51 C ATOM 0 H VAL A 12 5.497 16.875 17.944 1.00 0.37 H new ATOM 0 HA VAL A 12 6.260 18.867 19.936 1.00 0.42 H new ATOM 0 HB VAL A 12 7.045 17.922 17.489 1.00 0.31 H new ATOM 0 HG11 VAL A 12 7.370 19.866 15.983 1.00 0.24 H new ATOM 0 HG12 VAL A 12 5.666 19.381 16.149 1.00 0.24 H new ATOM 0 HG13 VAL A 12 6.271 20.816 17.010 1.00 0.24 H new ATOM 0 HG21 VAL A 12 8.924 19.632 17.756 1.00 0.51 H new ATOM 0 HG22 VAL A 12 7.924 20.479 18.960 1.00 0.51 H new ATOM 0 HG23 VAL A 12 8.515 18.834 19.293 1.00 0.51 H new ATOM 176 N LYS A 13 3.842 19.688 17.852 1.00 0.80 N ATOM 177 CA LYS A 13 2.694 20.627 17.693 1.00 1.30 C ATOM 178 C LYS A 13 1.886 20.831 18.996 1.00 1.21 C ATOM 179 O LYS A 13 1.158 21.797 19.106 1.00 1.12 O ATOM 180 CB LYS A 13 1.776 20.067 16.602 1.00 1.78 C ATOM 181 CG LYS A 13 1.407 21.211 15.691 1.00 1.39 C ATOM 182 CD LYS A 13 0.523 20.675 14.545 1.00 1.76 C ATOM 183 CE LYS A 13 -0.920 20.403 15.027 1.00 2.68 C ATOM 184 NZ LYS A 13 -1.568 19.465 14.066 1.00 5.16 N ATOM 0 H LYS A 13 3.936 19.001 17.104 1.00 0.80 H new ATOM 0 HA LYS A 13 3.093 21.605 17.425 1.00 1.30 H new ATOM 0 HB2 LYS A 13 2.281 19.279 16.043 1.00 1.78 H new ATOM 0 HB3 LYS A 13 0.883 19.624 17.042 1.00 1.78 H new ATOM 0 HG2 LYS A 13 0.874 21.980 16.250 1.00 1.39 H new ATOM 0 HG3 LYS A 13 2.306 21.676 15.287 1.00 1.39 H new ATOM 0 HD2 LYS A 13 0.506 21.397 13.729 1.00 1.76 H new ATOM 0 HD3 LYS A 13 0.955 19.756 14.149 1.00 1.76 H new ATOM 0 HE2 LYS A 13 -0.911 19.973 16.029 1.00 2.68 H new ATOM 0 HE3 LYS A 13 -1.482 21.335 15.085 1.00 2.68 H new ATOM 0 HZ1 LYS A 13 -2.324 19.962 13.552 1.00 5.16 H new ATOM 0 HZ2 LYS A 13 -0.859 19.118 13.389 1.00 5.16 H new ATOM 0 HZ3 LYS A 13 -1.974 18.661 14.586 1.00 5.16 H new ATOM 198 N HIS A 14 2.041 19.915 19.918 1.00 1.24 N ATOM 199 CA HIS A 14 1.314 20.006 21.216 1.00 1.17 C ATOM 200 C HIS A 14 2.233 20.045 22.456 1.00 0.95 C ATOM 201 O HIS A 14 1.789 19.634 23.511 1.00 0.94 O ATOM 202 CB HIS A 14 0.342 18.810 21.334 1.00 1.14 C ATOM 203 CG HIS A 14 -0.617 18.803 20.156 1.00 1.19 C ATOM 204 ND1 HIS A 14 -0.324 18.297 19.017 1.00 1.04 N ATOM 205 CD2 HIS A 14 -1.904 19.276 19.998 1.00 1.44 C ATOM 206 CE1 HIS A 14 -1.320 18.424 18.201 1.00 1.21 C ATOM 207 NE2 HIS A 14 -2.330 19.033 18.773 1.00 1.43 N ATOM 0 H HIS A 14 2.647 19.100 19.824 1.00 1.24 H new ATOM 0 HA HIS A 14 0.781 20.957 21.206 1.00 1.17 H new ATOM 0 HB2 HIS A 14 0.903 17.876 21.362 1.00 1.14 H new ATOM 0 HB3 HIS A 14 -0.216 18.875 22.268 1.00 1.14 H new ATOM 0 HD1 HIS A 14 0.567 17.857 18.786 1.00 1.04 H new ATOM 0 HD2 HIS A 14 -2.479 19.773 20.766 1.00 1.44 H new ATOM 0 HE1 HIS A 14 -1.319 18.073 17.180 1.00 1.21 H new ATOM 215 N LEU A 15 3.460 20.503 22.350 1.00 0.97 N ATOM 216 CA LEU A 15 4.290 20.535 23.602 1.00 1.10 C ATOM 217 C LEU A 15 3.781 21.776 24.348 1.00 1.78 C ATOM 218 O LEU A 15 3.198 22.656 23.743 1.00 2.08 O ATOM 219 CB LEU A 15 5.774 20.738 23.286 1.00 1.29 C ATOM 220 CG LEU A 15 6.354 19.506 22.617 1.00 0.95 C ATOM 221 CD1 LEU A 15 7.767 19.861 22.163 1.00 1.37 C ATOM 222 CD2 LEU A 15 6.469 18.376 23.630 1.00 1.22 C ATOM 0 H LEU A 15 3.907 20.841 21.498 1.00 0.97 H new ATOM 0 HA LEU A 15 4.204 19.604 24.162 1.00 1.10 H new ATOM 0 HB2 LEU A 15 5.897 21.603 22.635 1.00 1.29 H new ATOM 0 HB3 LEU A 15 6.321 20.950 24.205 1.00 1.29 H new ATOM 0 HG LEU A 15 5.719 19.196 21.787 1.00 0.95 H new ATOM 0 HD11 LEU A 15 8.220 18.998 21.675 1.00 1.37 H new ATOM 0 HD12 LEU A 15 7.725 20.694 21.461 1.00 1.37 H new ATOM 0 HD13 LEU A 15 8.366 20.145 23.028 1.00 1.37 H new ATOM 0 HD21 LEU A 15 6.886 17.493 23.145 1.00 1.22 H new ATOM 0 HD22 LEU A 15 7.122 18.684 24.446 1.00 1.22 H new ATOM 0 HD23 LEU A 15 5.481 18.140 24.025 1.00 1.22 H new ATOM 234 N LYS A 16 3.996 21.873 25.628 1.00 2.22 N ATOM 235 CA LYS A 16 3.479 23.098 26.311 1.00 3.04 C ATOM 236 C LYS A 16 4.612 24.100 26.401 1.00 2.16 C ATOM 237 O LYS A 16 4.370 25.218 26.813 1.00 2.22 O ATOM 238 CB LYS A 16 2.924 22.694 27.738 1.00 4.21 C ATOM 239 CG LYS A 16 1.710 23.540 28.205 1.00 5.44 C ATOM 240 CD LYS A 16 2.030 25.019 28.619 1.00 5.12 C ATOM 241 CE LYS A 16 2.965 25.143 29.856 1.00 3.52 C ATOM 242 NZ LYS A 16 4.416 25.009 29.482 1.00 1.70 N ATOM 0 H LYS A 16 4.484 21.194 26.213 1.00 2.22 H new ATOM 0 HA LYS A 16 2.659 23.554 25.756 1.00 3.04 H new ATOM 0 HB2 LYS A 16 2.636 21.643 27.720 1.00 4.21 H new ATOM 0 HB3 LYS A 16 3.726 22.793 28.470 1.00 4.21 H new ATOM 0 HG2 LYS A 16 0.973 23.558 27.402 1.00 5.44 H new ATOM 0 HG3 LYS A 16 1.245 23.037 29.053 1.00 5.44 H new ATOM 0 HD2 LYS A 16 2.493 25.530 27.774 1.00 5.12 H new ATOM 0 HD3 LYS A 16 1.094 25.536 28.831 1.00 5.12 H new ATOM 0 HE2 LYS A 16 2.802 26.107 30.338 1.00 3.52 H new ATOM 0 HE3 LYS A 16 2.706 24.375 30.585 1.00 3.52 H new ATOM 0 HZ1 LYS A 16 4.991 25.619 30.097 1.00 1.70 H new ATOM 0 HZ2 LYS A 16 4.715 24.020 29.599 1.00 1.70 H new ATOM 0 HZ3 LYS A 16 4.547 25.295 28.491 1.00 1.70 H new ATOM 256 N THR A 17 5.818 23.763 26.029 1.00 1.59 N ATOM 257 CA THR A 17 6.890 24.798 26.140 1.00 0.99 C ATOM 258 C THR A 17 7.472 24.968 24.761 1.00 0.76 C ATOM 259 O THR A 17 7.335 24.139 23.879 1.00 0.89 O ATOM 260 CB THR A 17 7.953 24.342 27.109 1.00 1.29 C ATOM 261 OG1 THR A 17 7.167 24.066 28.266 1.00 2.09 O ATOM 262 CG2 THR A 17 8.876 25.479 27.556 1.00 1.54 C ATOM 0 H THR A 17 6.102 22.853 25.666 1.00 1.59 H new ATOM 0 HA THR A 17 6.491 25.742 26.512 1.00 0.99 H new ATOM 0 HB THR A 17 8.562 23.548 26.678 1.00 1.29 H new ATOM 0 HG1 THR A 17 7.749 23.752 28.989 1.00 2.09 H new ATOM 0 HG21 THR A 17 9.620 25.091 28.252 1.00 1.54 H new ATOM 0 HG22 THR A 17 9.378 25.903 26.687 1.00 1.54 H new ATOM 0 HG23 THR A 17 8.287 26.253 28.048 1.00 1.54 H new ATOM 270 N LYS A 18 8.143 26.064 24.610 1.00 0.84 N ATOM 271 CA LYS A 18 8.758 26.365 23.289 1.00 1.32 C ATOM 272 C LYS A 18 10.265 26.039 23.267 1.00 1.49 C ATOM 273 O LYS A 18 10.950 26.423 24.197 1.00 1.60 O ATOM 274 CB LYS A 18 8.530 27.868 22.946 1.00 1.51 C ATOM 275 CG LYS A 18 6.998 28.175 22.841 1.00 1.44 C ATOM 276 CD LYS A 18 6.740 29.354 21.831 1.00 1.86 C ATOM 277 CE LYS A 18 7.503 30.651 22.163 1.00 1.79 C ATOM 278 NZ LYS A 18 6.964 31.224 23.440 1.00 1.89 N ATOM 0 H LYS A 18 8.295 26.764 25.336 1.00 0.84 H new ATOM 0 HA LYS A 18 8.279 25.734 22.540 1.00 1.32 H new ATOM 0 HB2 LYS A 18 8.982 28.496 23.714 1.00 1.51 H new ATOM 0 HB3 LYS A 18 9.022 28.112 22.004 1.00 1.51 H new ATOM 0 HG2 LYS A 18 6.464 27.283 22.512 1.00 1.44 H new ATOM 0 HG3 LYS A 18 6.606 28.437 23.823 1.00 1.44 H new ATOM 0 HD2 LYS A 18 7.021 29.027 20.830 1.00 1.86 H new ATOM 0 HD3 LYS A 18 5.672 29.570 21.808 1.00 1.86 H new ATOM 0 HE2 LYS A 18 8.569 30.445 22.263 1.00 1.79 H new ATOM 0 HE3 LYS A 18 7.392 31.371 21.352 1.00 1.79 H new ATOM 0 HZ1 LYS A 18 7.475 32.100 23.670 1.00 1.89 H new ATOM 0 HZ2 LYS A 18 5.952 31.433 23.327 1.00 1.89 H new ATOM 0 HZ3 LYS A 18 7.091 30.537 24.210 1.00 1.89 H new ATOM 292 N PRO A 19 10.750 25.355 22.262 1.00 1.65 N ATOM 293 CA PRO A 19 12.195 25.012 22.158 1.00 1.82 C ATOM 294 C PRO A 19 12.944 26.262 21.564 1.00 1.59 C ATOM 295 O PRO A 19 12.373 27.325 21.416 1.00 1.82 O ATOM 296 CB PRO A 19 12.142 23.780 21.278 1.00 2.08 C ATOM 297 CG PRO A 19 11.091 24.227 20.239 1.00 2.11 C ATOM 298 CD PRO A 19 9.954 24.799 21.132 1.00 1.79 C ATOM 0 HA PRO A 19 12.742 24.794 23.075 1.00 1.82 H new ATOM 0 HB2 PRO A 19 13.106 23.553 20.823 1.00 2.08 H new ATOM 0 HB3 PRO A 19 11.832 22.891 21.827 1.00 2.08 H new ATOM 0 HG2 PRO A 19 11.489 24.979 19.558 1.00 2.11 H new ATOM 0 HG3 PRO A 19 10.746 23.394 19.627 1.00 2.11 H new ATOM 0 HD2 PRO A 19 9.370 25.564 20.620 1.00 1.79 H new ATOM 0 HD3 PRO A 19 9.255 24.029 21.457 1.00 1.79 H new ATOM 306 N ALA A 20 14.196 26.114 21.236 1.00 1.28 N ATOM 307 CA ALA A 20 14.970 27.282 20.665 1.00 1.16 C ATOM 308 C ALA A 20 15.104 27.377 19.114 1.00 1.09 C ATOM 309 O ALA A 20 14.670 26.513 18.379 1.00 0.84 O ATOM 310 CB ALA A 20 16.335 27.208 21.352 1.00 1.24 C ATOM 0 H ALA A 20 14.725 25.247 21.332 1.00 1.28 H new ATOM 0 HA ALA A 20 14.409 28.195 20.867 1.00 1.16 H new ATOM 0 HB1 ALA A 20 16.966 28.022 20.996 1.00 1.24 H new ATOM 0 HB2 ALA A 20 16.205 27.295 22.431 1.00 1.24 H new ATOM 0 HB3 ALA A 20 16.808 26.254 21.119 1.00 1.24 H new ATOM 316 N ASP A 21 15.683 28.447 18.636 1.00 1.35 N ATOM 317 CA ASP A 21 15.872 28.645 17.166 1.00 1.36 C ATOM 318 C ASP A 21 16.321 27.369 16.431 1.00 1.25 C ATOM 319 O ASP A 21 15.521 26.807 15.709 1.00 1.10 O ATOM 320 CB ASP A 21 16.863 29.801 17.035 1.00 1.51 C ATOM 321 CG ASP A 21 18.076 29.597 17.920 1.00 2.98 C ATOM 322 OD1 ASP A 21 17.904 29.891 19.090 1.00 4.58 O ATOM 323 OD2 ASP A 21 19.074 29.164 17.375 1.00 3.69 O ATOM 0 H ASP A 21 16.040 29.208 19.214 1.00 1.35 H new ATOM 0 HA ASP A 21 14.927 28.883 16.678 1.00 1.36 H new ATOM 0 HB2 ASP A 21 17.181 29.893 15.996 1.00 1.51 H new ATOM 0 HB3 ASP A 21 16.370 30.736 17.302 1.00 1.51 H new ATOM 328 N GLU A 22 17.540 26.921 16.589 1.00 1.29 N ATOM 329 CA GLU A 22 17.922 25.662 15.861 1.00 1.09 C ATOM 330 C GLU A 22 16.899 24.528 16.111 1.00 0.81 C ATOM 331 O GLU A 22 16.789 23.652 15.279 1.00 0.78 O ATOM 332 CB GLU A 22 19.360 25.233 16.291 1.00 1.29 C ATOM 333 CG GLU A 22 20.381 26.131 15.481 1.00 1.95 C ATOM 334 CD GLU A 22 21.849 25.648 15.510 1.00 2.38 C ATOM 335 OE1 GLU A 22 22.203 24.870 16.381 1.00 3.01 O ATOM 336 OE2 GLU A 22 22.569 26.096 14.633 1.00 2.20 O ATOM 0 H GLU A 22 18.266 27.348 17.165 1.00 1.29 H new ATOM 0 HA GLU A 22 17.915 25.860 14.789 1.00 1.09 H new ATOM 0 HB2 GLU A 22 19.497 25.368 17.364 1.00 1.29 H new ATOM 0 HB3 GLU A 22 19.525 24.177 16.079 1.00 1.29 H new ATOM 0 HG2 GLU A 22 20.052 26.181 14.443 1.00 1.95 H new ATOM 0 HG3 GLU A 22 20.341 27.146 15.877 1.00 1.95 H new ATOM 343 N GLU A 23 16.161 24.533 17.198 1.00 0.78 N ATOM 344 CA GLU A 23 15.156 23.435 17.427 1.00 0.68 C ATOM 345 C GLU A 23 14.028 23.678 16.400 1.00 0.69 C ATOM 346 O GLU A 23 13.723 22.810 15.610 1.00 0.70 O ATOM 347 CB GLU A 23 14.557 23.508 18.874 1.00 0.55 C ATOM 348 CG GLU A 23 15.558 23.072 19.999 1.00 0.73 C ATOM 349 CD GLU A 23 16.992 23.411 19.651 1.00 2.00 C ATOM 350 OE1 GLU A 23 17.318 24.580 19.661 1.00 3.50 O ATOM 351 OE2 GLU A 23 17.652 22.423 19.390 1.00 2.20 O ATOM 0 H GLU A 23 16.207 25.241 17.931 1.00 0.78 H new ATOM 0 HA GLU A 23 15.623 22.456 17.316 1.00 0.68 H new ATOM 0 HB2 GLU A 23 14.228 24.529 19.069 1.00 0.55 H new ATOM 0 HB3 GLU A 23 13.672 22.873 18.923 1.00 0.55 H new ATOM 0 HG2 GLU A 23 15.287 23.562 20.934 1.00 0.73 H new ATOM 0 HG3 GLU A 23 15.470 21.998 20.165 1.00 0.73 H new ATOM 358 N MET A 24 13.465 24.858 16.426 1.00 0.69 N ATOM 359 CA MET A 24 12.351 25.189 15.472 1.00 0.73 C ATOM 360 C MET A 24 12.827 25.152 14.009 1.00 0.70 C ATOM 361 O MET A 24 12.105 24.680 13.157 1.00 0.67 O ATOM 362 CB MET A 24 11.761 26.596 15.804 1.00 0.60 C ATOM 363 CG MET A 24 12.793 27.725 15.763 1.00 2.50 C ATOM 364 SD MET A 24 12.153 29.416 15.692 1.00 2.82 S ATOM 365 CE MET A 24 13.424 30.140 14.624 1.00 5.57 C ATOM 0 H MET A 24 13.725 25.610 17.064 1.00 0.69 H new ATOM 0 HA MET A 24 11.576 24.432 15.591 1.00 0.73 H new ATOM 0 HB2 MET A 24 10.963 26.821 15.097 1.00 0.60 H new ATOM 0 HB3 MET A 24 11.309 26.565 16.796 1.00 0.60 H new ATOM 0 HG2 MET A 24 13.426 27.638 16.646 1.00 2.50 H new ATOM 0 HG3 MET A 24 13.434 27.568 14.895 1.00 2.50 H new ATOM 0 HE1 MET A 24 13.520 31.203 14.843 1.00 5.57 H new ATOM 0 HE2 MET A 24 14.378 29.644 14.806 1.00 5.57 H new ATOM 0 HE3 MET A 24 13.140 30.009 13.580 1.00 5.57 H new ATOM 375 N LEU A 25 14.012 25.634 13.750 1.00 0.70 N ATOM 376 CA LEU A 25 14.600 25.659 12.390 1.00 0.63 C ATOM 377 C LEU A 25 14.922 24.213 11.998 1.00 0.57 C ATOM 378 O LEU A 25 14.535 23.768 10.933 1.00 0.43 O ATOM 379 CB LEU A 25 15.812 26.590 12.522 1.00 0.63 C ATOM 380 CG LEU A 25 15.329 28.058 12.541 1.00 0.66 C ATOM 381 CD1 LEU A 25 16.478 28.936 13.005 1.00 0.71 C ATOM 382 CD2 LEU A 25 14.940 28.496 11.124 1.00 0.78 C ATOM 0 H LEU A 25 14.621 26.029 14.466 1.00 0.70 H new ATOM 0 HA LEU A 25 13.958 26.035 11.594 1.00 0.63 H new ATOM 0 HB2 LEU A 25 16.361 26.364 13.436 1.00 0.63 H new ATOM 0 HB3 LEU A 25 16.499 26.432 11.690 1.00 0.63 H new ATOM 0 HG LEU A 25 14.470 28.149 13.206 1.00 0.66 H new ATOM 0 HD11 LEU A 25 16.155 29.977 13.025 1.00 0.71 H new ATOM 0 HD12 LEU A 25 16.787 28.633 14.005 1.00 0.71 H new ATOM 0 HD13 LEU A 25 17.318 28.829 12.318 1.00 0.71 H new ATOM 0 HD21 LEU A 25 14.600 29.532 11.144 1.00 0.78 H new ATOM 0 HD22 LEU A 25 15.805 28.410 10.466 1.00 0.78 H new ATOM 0 HD23 LEU A 25 14.138 27.858 10.753 1.00 0.78 H new ATOM 394 N PHE A 26 15.611 23.490 12.853 1.00 0.70 N ATOM 395 CA PHE A 26 15.939 22.057 12.513 1.00 0.64 C ATOM 396 C PHE A 26 14.582 21.407 12.180 1.00 0.57 C ATOM 397 O PHE A 26 14.405 20.886 11.099 1.00 0.50 O ATOM 398 CB PHE A 26 16.563 21.362 13.724 1.00 0.68 C ATOM 399 CG PHE A 26 16.862 19.892 13.407 1.00 0.37 C ATOM 400 CD1 PHE A 26 15.885 18.928 13.564 1.00 2.17 C ATOM 401 CD2 PHE A 26 18.110 19.516 12.957 1.00 2.55 C ATOM 402 CE1 PHE A 26 16.152 17.609 13.277 1.00 2.47 C ATOM 403 CE2 PHE A 26 18.381 18.196 12.670 1.00 2.26 C ATOM 404 CZ PHE A 26 17.400 17.243 12.831 1.00 0.30 C ATOM 0 H PHE A 26 15.956 23.818 13.755 1.00 0.70 H new ATOM 0 HA PHE A 26 16.649 21.981 11.689 1.00 0.64 H new ATOM 0 HB2 PHE A 26 17.483 21.873 14.009 1.00 0.68 H new ATOM 0 HB3 PHE A 26 15.886 21.426 14.576 1.00 0.68 H new ATOM 0 HD1 PHE A 26 14.904 19.212 13.915 1.00 2.17 H new ATOM 0 HD2 PHE A 26 18.881 20.262 12.829 1.00 2.55 H new ATOM 0 HE1 PHE A 26 15.382 16.862 13.402 1.00 2.47 H new ATOM 0 HE2 PHE A 26 19.361 17.909 12.319 1.00 2.26 H new ATOM 0 HZ PHE A 26 17.611 16.208 12.607 1.00 0.30 H new ATOM 414 N ILE A 27 13.672 21.474 13.129 1.00 0.66 N ATOM 415 CA ILE A 27 12.305 20.887 12.918 1.00 0.65 C ATOM 416 C ILE A 27 11.774 21.472 11.599 1.00 0.50 C ATOM 417 O ILE A 27 11.845 20.809 10.596 1.00 0.34 O ATOM 418 CB ILE A 27 11.456 21.287 14.152 1.00 0.81 C ATOM 419 CG1 ILE A 27 11.886 20.488 15.437 1.00 1.23 C ATOM 420 CG2 ILE A 27 9.931 21.193 13.936 1.00 0.92 C ATOM 421 CD1 ILE A 27 11.995 18.958 15.196 1.00 1.01 C ATOM 0 H ILE A 27 13.817 21.910 14.040 1.00 0.66 H new ATOM 0 HA ILE A 27 12.287 19.800 12.835 1.00 0.65 H new ATOM 0 HB ILE A 27 11.670 22.345 14.304 1.00 0.81 H new ATOM 0 HG12 ILE A 27 12.848 20.864 15.786 1.00 1.23 H new ATOM 0 HG13 ILE A 27 11.163 20.674 16.232 1.00 1.23 H new ATOM 0 HG21 ILE A 27 9.415 21.491 14.849 1.00 0.92 H new ATOM 0 HG22 ILE A 27 9.637 21.855 13.121 1.00 0.92 H new ATOM 0 HG23 ILE A 27 9.662 20.167 13.685 1.00 0.92 H new ATOM 0 HD11 ILE A 27 12.295 18.465 16.120 1.00 1.01 H new ATOM 0 HD12 ILE A 27 11.028 18.570 14.875 1.00 1.01 H new ATOM 0 HD13 ILE A 27 12.738 18.763 14.423 1.00 1.01 H new ATOM 433 N TYR A 28 11.242 22.663 11.624 1.00 0.56 N ATOM 434 CA TYR A 28 10.723 23.307 10.373 1.00 0.50 C ATOM 435 C TYR A 28 11.411 22.800 9.079 1.00 0.36 C ATOM 436 O TYR A 28 10.766 22.282 8.189 1.00 0.39 O ATOM 437 CB TYR A 28 10.913 24.817 10.448 1.00 0.52 C ATOM 438 CG TYR A 28 10.241 25.397 9.190 1.00 0.56 C ATOM 439 CD1 TYR A 28 8.860 25.490 9.120 1.00 2.43 C ATOM 440 CD2 TYR A 28 10.999 25.809 8.107 1.00 2.42 C ATOM 441 CE1 TYR A 28 8.256 25.984 7.984 1.00 2.43 C ATOM 442 CE2 TYR A 28 10.380 26.300 6.982 1.00 2.42 C ATOM 443 CZ TYR A 28 9.011 26.388 6.917 1.00 0.66 C ATOM 444 OH TYR A 28 8.391 26.876 5.795 1.00 0.72 O ATOM 0 H TYR A 28 11.141 23.229 12.467 1.00 0.56 H new ATOM 0 HA TYR A 28 9.669 23.036 10.317 1.00 0.50 H new ATOM 0 HB2 TYR A 28 10.460 25.222 11.353 1.00 0.52 H new ATOM 0 HB3 TYR A 28 11.972 25.075 10.478 1.00 0.52 H new ATOM 0 HD1 TYR A 28 8.256 25.175 9.958 1.00 2.43 H new ATOM 0 HD2 TYR A 28 12.076 25.745 8.146 1.00 2.42 H new ATOM 0 HE1 TYR A 28 7.179 26.053 7.936 1.00 2.43 H new ATOM 0 HE2 TYR A 28 10.977 26.620 6.140 1.00 2.42 H new ATOM 0 HH TYR A 28 9.066 27.121 5.128 1.00 0.72 H new ATOM 454 N SER A 29 12.710 22.923 8.981 1.00 0.24 N ATOM 455 CA SER A 29 13.452 22.466 7.757 1.00 0.19 C ATOM 456 C SER A 29 13.208 20.980 7.452 1.00 0.20 C ATOM 457 O SER A 29 12.818 20.595 6.363 1.00 0.22 O ATOM 458 CB SER A 29 14.942 22.756 8.027 1.00 0.29 C ATOM 459 OG SER A 29 15.265 21.871 9.093 1.00 0.37 O ATOM 0 H SER A 29 13.301 23.327 9.707 1.00 0.24 H new ATOM 0 HA SER A 29 13.101 22.997 6.872 1.00 0.19 H new ATOM 0 HB2 SER A 29 15.554 22.563 7.146 1.00 0.29 H new ATOM 0 HB3 SER A 29 15.104 23.797 8.307 1.00 0.29 H new ATOM 0 HG SER A 29 14.709 22.081 9.872 1.00 0.37 H new ATOM 465 N HIS A 30 13.441 20.174 8.450 1.00 0.19 N ATOM 466 CA HIS A 30 13.248 18.707 8.312 1.00 0.21 C ATOM 467 C HIS A 30 11.758 18.362 8.148 1.00 0.31 C ATOM 468 O HIS A 30 11.462 17.440 7.423 1.00 0.33 O ATOM 469 CB HIS A 30 13.867 18.037 9.563 1.00 0.16 C ATOM 470 CG HIS A 30 15.386 18.192 9.515 1.00 0.21 C ATOM 471 ND1 HIS A 30 16.022 19.312 9.595 1.00 0.26 N ATOM 472 CD2 HIS A 30 16.382 17.241 9.381 1.00 0.27 C ATOM 473 CE1 HIS A 30 17.300 19.096 9.521 1.00 0.35 C ATOM 474 NE2 HIS A 30 17.565 17.821 9.388 1.00 0.36 N ATOM 0 H HIS A 30 13.762 20.477 9.370 1.00 0.19 H new ATOM 0 HA HIS A 30 13.744 18.334 7.415 1.00 0.21 H new ATOM 0 HB2 HIS A 30 13.471 18.495 10.469 1.00 0.16 H new ATOM 0 HB3 HIS A 30 13.598 16.981 9.596 1.00 0.16 H new ATOM 0 HD1 HIS A 30 15.587 20.228 9.700 1.00 0.26 H new ATOM 0 HD2 HIS A 30 16.214 16.178 9.285 1.00 0.27 H new ATOM 0 HE1 HIS A 30 18.051 19.871 9.564 1.00 0.35 H new ATOM 482 N TYR A 31 10.847 19.068 8.776 1.00 0.34 N ATOM 483 CA TYR A 31 9.399 18.721 8.598 1.00 0.31 C ATOM 484 C TYR A 31 9.111 19.014 7.121 1.00 0.36 C ATOM 485 O TYR A 31 8.412 18.262 6.461 1.00 0.39 O ATOM 486 CB TYR A 31 8.471 19.608 9.493 1.00 0.31 C ATOM 487 CG TYR A 31 7.007 19.183 9.217 1.00 0.19 C ATOM 488 CD1 TYR A 31 6.447 18.106 9.884 1.00 2.27 C ATOM 489 CD2 TYR A 31 6.237 19.848 8.279 1.00 2.48 C ATOM 490 CE1 TYR A 31 5.147 17.700 9.612 1.00 2.25 C ATOM 491 CE2 TYR A 31 4.940 19.436 8.014 1.00 2.49 C ATOM 492 CZ TYR A 31 4.389 18.365 8.675 1.00 0.24 C ATOM 493 OH TYR A 31 3.098 17.959 8.389 1.00 0.38 O ATOM 0 H TYR A 31 11.038 19.857 9.394 1.00 0.34 H new ATOM 0 HA TYR A 31 9.206 17.687 8.883 1.00 0.31 H new ATOM 0 HB2 TYR A 31 8.716 19.476 10.547 1.00 0.31 H new ATOM 0 HB3 TYR A 31 8.613 20.664 9.263 1.00 0.31 H new ATOM 0 HD1 TYR A 31 7.028 17.576 10.624 1.00 2.27 H new ATOM 0 HD2 TYR A 31 6.649 20.694 7.749 1.00 2.48 H new ATOM 0 HE1 TYR A 31 4.728 16.856 10.140 1.00 2.25 H new ATOM 0 HE2 TYR A 31 4.354 19.965 7.277 1.00 2.49 H new ATOM 0 HH TYR A 31 2.715 18.546 7.704 1.00 0.38 H new ATOM 503 N LYS A 32 9.658 20.104 6.627 1.00 0.35 N ATOM 504 CA LYS A 32 9.404 20.417 5.184 1.00 0.40 C ATOM 505 C LYS A 32 10.120 19.329 4.321 1.00 0.36 C ATOM 506 O LYS A 32 9.418 18.720 3.536 1.00 0.36 O ATOM 507 CB LYS A 32 9.916 21.869 4.877 1.00 0.47 C ATOM 508 CG LYS A 32 9.169 23.034 5.637 1.00 0.55 C ATOM 509 CD LYS A 32 7.619 23.020 5.451 1.00 1.01 C ATOM 510 CE LYS A 32 7.190 23.073 3.988 1.00 1.09 C ATOM 511 NZ LYS A 32 5.692 22.995 3.962 1.00 0.49 N ATOM 0 H LYS A 32 10.245 20.764 7.137 1.00 0.35 H new ATOM 0 HA LYS A 32 8.341 20.395 4.944 1.00 0.40 H new ATOM 0 HB2 LYS A 32 10.976 21.920 5.124 1.00 0.47 H new ATOM 0 HB3 LYS A 32 9.830 22.046 3.805 1.00 0.47 H new ATOM 0 HG2 LYS A 32 9.398 22.966 6.701 1.00 0.55 H new ATOM 0 HG3 LYS A 32 9.558 23.990 5.288 1.00 0.55 H new ATOM 0 HD2 LYS A 32 7.212 22.119 5.910 1.00 1.01 H new ATOM 0 HD3 LYS A 32 7.188 23.870 5.981 1.00 1.01 H new ATOM 0 HE2 LYS A 32 7.535 23.994 3.519 1.00 1.09 H new ATOM 0 HE3 LYS A 32 7.628 22.247 3.428 1.00 1.09 H new ATOM 0 HZ1 LYS A 32 5.353 23.147 2.991 1.00 0.49 H new ATOM 0 HZ2 LYS A 32 5.387 22.057 4.292 1.00 0.49 H new ATOM 0 HZ3 LYS A 32 5.295 23.727 4.585 1.00 0.49 H new ATOM 525 N GLN A 33 11.412 19.069 4.421 1.00 0.33 N ATOM 526 CA GLN A 33 12.016 17.971 3.541 1.00 0.31 C ATOM 527 C GLN A 33 11.283 16.625 3.760 1.00 0.34 C ATOM 528 O GLN A 33 11.030 15.897 2.823 1.00 0.42 O ATOM 529 CB GLN A 33 13.532 17.759 3.854 1.00 0.23 C ATOM 530 CG GLN A 33 14.178 16.702 2.852 1.00 1.17 C ATOM 531 CD GLN A 33 14.240 17.234 1.394 1.00 0.74 C ATOM 532 OE1 GLN A 33 14.618 18.353 1.142 1.00 3.10 O ATOM 533 NE2 GLN A 33 13.896 16.508 0.381 1.00 0.41 N ATOM 0 H GLN A 33 12.063 19.544 5.046 1.00 0.33 H new ATOM 0 HA GLN A 33 11.900 18.296 2.507 1.00 0.31 H new ATOM 0 HB2 GLN A 33 14.060 18.710 3.776 1.00 0.23 H new ATOM 0 HB3 GLN A 33 13.650 17.412 4.881 1.00 0.23 H new ATOM 0 HG2 GLN A 33 15.184 16.453 3.189 1.00 1.17 H new ATOM 0 HG3 GLN A 33 13.597 15.780 2.876 1.00 1.17 H new ATOM 0 HE21 GLN A 33 13.568 15.553 0.526 1.00 0.41 H new ATOM 0 HE22 GLN A 33 13.953 16.890 -0.563 1.00 0.41 H new ATOM 542 N ALA A 34 10.970 16.310 4.989 1.00 0.28 N ATOM 543 CA ALA A 34 10.256 15.037 5.323 1.00 0.27 C ATOM 544 C ALA A 34 8.824 14.931 4.730 1.00 0.33 C ATOM 545 O ALA A 34 8.469 13.869 4.248 1.00 0.39 O ATOM 546 CB ALA A 34 10.204 14.922 6.864 1.00 0.20 C ATOM 0 H ALA A 34 11.184 16.895 5.797 1.00 0.28 H new ATOM 0 HA ALA A 34 10.811 14.216 4.868 1.00 0.27 H new ATOM 0 HB1 ALA A 34 9.689 14.003 7.143 1.00 0.20 H new ATOM 0 HB2 ALA A 34 11.219 14.904 7.262 1.00 0.20 H new ATOM 0 HB3 ALA A 34 9.668 15.778 7.275 1.00 0.20 H new ATOM 552 N THR A 35 8.043 15.989 4.763 1.00 0.30 N ATOM 553 CA THR A 35 6.640 15.866 4.181 1.00 0.25 C ATOM 554 C THR A 35 6.443 16.409 2.785 1.00 0.16 C ATOM 555 O THR A 35 5.702 15.853 1.998 1.00 0.31 O ATOM 556 CB THR A 35 5.599 16.580 5.062 1.00 0.30 C ATOM 557 OG1 THR A 35 6.009 17.931 5.133 1.00 0.30 O ATOM 558 CG2 THR A 35 5.689 16.134 6.486 1.00 0.44 C ATOM 0 H THR A 35 8.290 16.901 5.148 1.00 0.30 H new ATOM 0 HA THR A 35 6.504 14.785 4.145 1.00 0.25 H new ATOM 0 HB THR A 35 4.609 16.393 4.647 1.00 0.30 H new ATOM 0 HG1 THR A 35 6.810 18.001 5.693 1.00 0.30 H new ATOM 0 HG21 THR A 35 4.940 16.658 7.079 1.00 0.44 H new ATOM 0 HG22 THR A 35 5.511 15.060 6.543 1.00 0.44 H new ATOM 0 HG23 THR A 35 6.682 16.358 6.875 1.00 0.44 H new ATOM 566 N VAL A 36 7.122 17.474 2.513 1.00 0.19 N ATOM 567 CA VAL A 36 7.035 18.140 1.171 1.00 0.26 C ATOM 568 C VAL A 36 8.198 17.732 0.269 1.00 0.32 C ATOM 569 O VAL A 36 8.008 17.340 -0.864 1.00 0.62 O ATOM 570 CB VAL A 36 7.047 19.694 1.363 1.00 0.32 C ATOM 571 CG1 VAL A 36 7.292 20.413 0.003 1.00 0.44 C ATOM 572 CG2 VAL A 36 5.690 20.158 1.900 1.00 0.48 C ATOM 0 H VAL A 36 7.752 17.932 3.171 1.00 0.19 H new ATOM 0 HA VAL A 36 6.108 17.824 0.693 1.00 0.26 H new ATOM 0 HB VAL A 36 7.846 19.941 2.062 1.00 0.32 H new ATOM 0 HG11 VAL A 36 7.297 21.492 0.158 1.00 0.44 H new ATOM 0 HG12 VAL A 36 8.253 20.101 -0.406 1.00 0.44 H new ATOM 0 HG13 VAL A 36 6.498 20.150 -0.696 1.00 0.44 H new ATOM 0 HG21 VAL A 36 5.702 21.240 2.032 1.00 0.48 H new ATOM 0 HG22 VAL A 36 4.907 19.888 1.192 1.00 0.48 H new ATOM 0 HG23 VAL A 36 5.494 19.677 2.858 1.00 0.48 H new ATOM 582 N GLY A 37 9.366 17.835 0.840 1.00 0.12 N ATOM 583 CA GLY A 37 10.658 17.507 0.155 1.00 0.11 C ATOM 584 C GLY A 37 11.482 18.795 0.027 1.00 0.29 C ATOM 585 O GLY A 37 11.611 19.596 0.942 1.00 0.26 O ATOM 0 H GLY A 37 9.486 18.149 1.803 1.00 0.12 H new ATOM 0 HA2 GLY A 37 11.210 16.759 0.725 1.00 0.11 H new ATOM 0 HA3 GLY A 37 10.467 17.080 -0.830 1.00 0.11 H new ATOM 589 N ASP A 38 12.051 18.936 -1.134 1.00 0.58 N ATOM 590 CA ASP A 38 12.869 20.124 -1.426 1.00 0.92 C ATOM 591 C ASP A 38 12.107 21.443 -1.181 1.00 1.05 C ATOM 592 O ASP A 38 10.899 21.486 -1.010 1.00 2.00 O ATOM 593 CB ASP A 38 13.316 19.927 -2.892 1.00 1.29 C ATOM 594 CG ASP A 38 14.265 18.732 -3.041 1.00 1.36 C ATOM 595 OD1 ASP A 38 14.283 17.875 -2.171 1.00 1.93 O ATOM 596 OD2 ASP A 38 14.938 18.752 -4.053 1.00 3.00 O ATOM 0 H ASP A 38 11.978 18.265 -1.899 1.00 0.58 H new ATOM 0 HA ASP A 38 13.726 20.214 -0.759 1.00 0.92 H new ATOM 0 HB2 ASP A 38 12.440 19.776 -3.522 1.00 1.29 H new ATOM 0 HB3 ASP A 38 13.811 20.831 -3.246 1.00 1.29 H new ATOM 601 N ILE A 39 12.865 22.494 -1.209 1.00 0.82 N ATOM 602 CA ILE A 39 12.283 23.828 -0.986 1.00 0.64 C ATOM 603 C ILE A 39 11.863 24.255 -2.393 1.00 0.61 C ATOM 604 O ILE A 39 12.651 24.430 -3.299 1.00 0.87 O ATOM 605 CB ILE A 39 13.394 24.661 -0.316 1.00 0.61 C ATOM 606 CG1 ILE A 39 12.698 25.899 0.252 1.00 0.60 C ATOM 607 CG2 ILE A 39 14.593 24.996 -1.264 1.00 0.68 C ATOM 608 CD1 ILE A 39 13.650 26.549 1.252 1.00 0.64 C ATOM 0 H ILE A 39 13.871 22.482 -1.379 1.00 0.82 H new ATOM 0 HA ILE A 39 11.417 23.917 -0.330 1.00 0.64 H new ATOM 0 HB ILE A 39 13.878 24.089 0.476 1.00 0.61 H new ATOM 0 HG12 ILE A 39 12.447 26.597 -0.547 1.00 0.60 H new ATOM 0 HG13 ILE A 39 11.763 25.622 0.739 1.00 0.60 H new ATOM 0 HG21 ILE A 39 15.333 25.584 -0.721 1.00 0.68 H new ATOM 0 HG22 ILE A 39 15.050 24.070 -1.614 1.00 0.68 H new ATOM 0 HG23 ILE A 39 14.232 25.568 -2.119 1.00 0.68 H new ATOM 0 HD11 ILE A 39 13.182 27.437 1.676 1.00 0.64 H new ATOM 0 HD12 ILE A 39 13.877 25.842 2.050 1.00 0.64 H new ATOM 0 HD13 ILE A 39 14.572 26.832 0.745 1.00 0.64 H new ATOM 805 N LYS A 52 14.454 34.237 6.140 1.00 0.55 N ATOM 806 CA LYS A 52 15.881 33.907 5.803 1.00 0.80 C ATOM 807 C LYS A 52 16.292 32.603 6.483 1.00 0.55 C ATOM 808 O LYS A 52 16.676 31.670 5.827 1.00 0.52 O ATOM 809 CB LYS A 52 16.779 35.082 6.291 1.00 1.06 C ATOM 810 CG LYS A 52 18.186 35.119 5.642 1.00 1.43 C ATOM 811 CD LYS A 52 19.125 33.914 6.008 1.00 1.57 C ATOM 812 CE LYS A 52 20.294 33.919 5.036 1.00 1.08 C ATOM 813 NZ LYS A 52 19.715 33.672 3.685 1.00 1.95 N ATOM 0 HA LYS A 52 15.995 33.775 4.727 1.00 0.80 H new ATOM 0 HB2 LYS A 52 16.271 36.023 6.083 1.00 1.06 H new ATOM 0 HB3 LYS A 52 16.892 35.013 7.373 1.00 1.06 H new ATOM 0 HG2 LYS A 52 18.068 35.150 4.559 1.00 1.43 H new ATOM 0 HG3 LYS A 52 18.680 36.045 5.936 1.00 1.43 H new ATOM 0 HD2 LYS A 52 19.482 34.006 7.034 1.00 1.57 H new ATOM 0 HD3 LYS A 52 18.580 32.972 5.944 1.00 1.57 H new ATOM 0 HE2 LYS A 52 20.820 34.873 5.065 1.00 1.08 H new ATOM 0 HE3 LYS A 52 21.019 33.147 5.295 1.00 1.08 H new ATOM 0 HZ1 LYS A 52 20.363 33.074 3.134 1.00 1.95 H new ATOM 0 HZ2 LYS A 52 18.798 33.191 3.783 1.00 1.95 H new ATOM 0 HZ3 LYS A 52 19.579 34.579 3.194 1.00 1.95 H new ATOM 827 N ALA A 53 16.161 32.575 7.786 1.00 0.49 N ATOM 828 CA ALA A 53 16.548 31.352 8.542 1.00 0.37 C ATOM 829 C ALA A 53 15.559 30.236 8.185 1.00 0.24 C ATOM 830 O ALA A 53 15.964 29.286 7.569 1.00 0.30 O ATOM 831 CB ALA A 53 16.536 31.737 10.037 1.00 0.74 C ATOM 0 H ALA A 53 15.804 33.344 8.354 1.00 0.49 H new ATOM 0 HA ALA A 53 17.542 30.979 8.294 1.00 0.37 H new ATOM 0 HB1 ALA A 53 16.814 30.871 10.638 1.00 0.74 H new ATOM 0 HB2 ALA A 53 17.249 32.543 10.211 1.00 0.74 H new ATOM 0 HB3 ALA A 53 15.537 32.069 10.319 1.00 0.74 H new ATOM 837 N LYS A 54 14.309 30.310 8.543 1.00 0.42 N ATOM 838 CA LYS A 54 13.343 29.207 8.171 1.00 0.47 C ATOM 839 C LYS A 54 13.563 28.558 6.777 1.00 0.45 C ATOM 840 O LYS A 54 13.721 27.361 6.573 1.00 0.47 O ATOM 841 CB LYS A 54 11.893 29.793 8.217 1.00 0.38 C ATOM 842 CG LYS A 54 11.092 29.419 9.484 1.00 2.21 C ATOM 843 CD LYS A 54 11.601 30.191 10.734 1.00 5.16 C ATOM 844 CE LYS A 54 10.419 30.598 11.633 1.00 6.42 C ATOM 845 NZ LYS A 54 9.532 31.574 10.895 1.00 7.29 N ATOM 0 H LYS A 54 13.903 31.079 9.076 1.00 0.42 H new ATOM 0 HA LYS A 54 13.513 28.410 8.894 1.00 0.47 H new ATOM 0 HB2 LYS A 54 11.951 30.879 8.146 1.00 0.38 H new ATOM 0 HB3 LYS A 54 11.346 29.445 7.341 1.00 0.38 H new ATOM 0 HG2 LYS A 54 10.036 29.639 9.325 1.00 2.21 H new ATOM 0 HG3 LYS A 54 11.171 28.346 9.661 1.00 2.21 H new ATOM 0 HD2 LYS A 54 12.296 29.567 11.296 1.00 5.16 H new ATOM 0 HD3 LYS A 54 12.151 31.079 10.422 1.00 5.16 H new ATOM 0 HE2 LYS A 54 9.846 29.716 11.919 1.00 6.42 H new ATOM 0 HE3 LYS A 54 10.788 31.051 12.553 1.00 6.42 H new ATOM 0 HZ1 LYS A 54 9.104 32.236 11.574 1.00 7.29 H new ATOM 0 HZ2 LYS A 54 10.100 32.105 10.204 1.00 7.29 H new ATOM 0 HZ3 LYS A 54 8.781 31.053 10.398 1.00 7.29 H new ATOM 859 N TRP A 55 13.578 29.458 5.839 1.00 0.48 N ATOM 860 CA TRP A 55 13.748 29.049 4.456 1.00 0.56 C ATOM 861 C TRP A 55 15.133 28.535 4.223 1.00 0.47 C ATOM 862 O TRP A 55 15.274 27.401 3.842 1.00 0.46 O ATOM 863 CB TRP A 55 13.407 30.241 3.669 1.00 0.85 C ATOM 864 CG TRP A 55 13.225 29.843 2.210 1.00 0.93 C ATOM 865 CD1 TRP A 55 12.099 29.513 1.505 1.00 0.90 C ATOM 866 CD2 TRP A 55 14.249 29.776 1.383 1.00 1.00 C ATOM 867 NE1 TRP A 55 12.561 29.268 0.314 1.00 0.91 N ATOM 868 CE2 TRP A 55 13.844 29.396 0.130 1.00 0.98 C ATOM 869 CE3 TRP A 55 15.561 30.063 1.657 1.00 1.19 C ATOM 870 CZ2 TRP A 55 14.750 29.290 -0.877 1.00 1.13 C ATOM 871 CZ3 TRP A 55 16.492 29.957 0.664 1.00 1.37 C ATOM 872 CH2 TRP A 55 16.070 29.574 -0.599 1.00 1.37 C ATOM 0 H TRP A 55 13.478 30.462 5.989 1.00 0.48 H new ATOM 0 HA TRP A 55 13.107 28.216 4.166 1.00 0.56 H new ATOM 0 HB2 TRP A 55 12.493 30.695 4.051 1.00 0.85 H new ATOM 0 HB3 TRP A 55 14.195 30.988 3.759 1.00 0.85 H new ATOM 0 HD1 TRP A 55 11.077 29.467 1.852 1.00 0.90 H new ATOM 0 HE1 TRP A 55 11.942 28.986 -0.447 1.00 0.91 H new ATOM 0 HE3 TRP A 55 15.856 30.370 2.650 1.00 1.19 H new ATOM 0 HZ2 TRP A 55 14.444 28.991 -1.869 1.00 1.13 H new ATOM 0 HZ3 TRP A 55 17.533 30.167 0.858 1.00 1.37 H new ATOM 0 HH2 TRP A 55 16.799 29.495 -1.392 1.00 1.37 H new ATOM 883 N ASP A 56 16.114 29.344 4.454 1.00 0.42 N ATOM 884 CA ASP A 56 17.537 28.832 4.226 1.00 0.39 C ATOM 885 C ASP A 56 17.694 27.457 4.900 1.00 0.37 C ATOM 886 O ASP A 56 18.105 26.493 4.301 1.00 0.51 O ATOM 887 CB ASP A 56 18.649 29.734 4.846 1.00 0.13 C ATOM 888 CG ASP A 56 19.132 30.872 3.979 1.00 0.33 C ATOM 889 OD1 ASP A 56 18.311 31.613 3.489 1.00 1.69 O ATOM 890 OD2 ASP A 56 20.332 31.018 3.819 1.00 2.52 O ATOM 0 H ASP A 56 16.030 30.307 4.779 1.00 0.42 H new ATOM 0 HA ASP A 56 17.664 28.810 3.144 1.00 0.39 H new ATOM 0 HB2 ASP A 56 18.274 30.149 5.782 1.00 0.13 H new ATOM 0 HB3 ASP A 56 19.503 29.105 5.096 1.00 0.13 H new ATOM 895 N ALA A 57 17.306 27.402 6.145 1.00 0.25 N ATOM 896 CA ALA A 57 17.391 26.164 6.959 1.00 0.24 C ATOM 897 C ALA A 57 16.717 25.009 6.214 1.00 0.27 C ATOM 898 O ALA A 57 17.208 23.897 6.222 1.00 0.33 O ATOM 899 CB ALA A 57 16.714 26.460 8.292 1.00 0.20 C ATOM 0 H ALA A 57 16.918 28.200 6.647 1.00 0.25 H new ATOM 0 HA ALA A 57 18.424 25.864 7.135 1.00 0.24 H new ATOM 0 HB1 ALA A 57 16.753 25.573 8.925 1.00 0.20 H new ATOM 0 HB2 ALA A 57 17.230 27.283 8.787 1.00 0.20 H new ATOM 0 HB3 ALA A 57 15.674 26.736 8.118 1.00 0.20 H new ATOM 905 N TRP A 58 15.601 25.275 5.576 1.00 0.30 N ATOM 906 CA TRP A 58 14.974 24.139 4.849 1.00 0.35 C ATOM 907 C TRP A 58 15.817 23.957 3.582 1.00 0.42 C ATOM 908 O TRP A 58 16.212 22.846 3.300 1.00 0.44 O ATOM 909 CB TRP A 58 13.580 24.494 4.509 1.00 0.38 C ATOM 910 CG TRP A 58 12.962 23.401 3.608 1.00 0.41 C ATOM 911 CD1 TRP A 58 13.427 22.138 3.272 1.00 0.42 C ATOM 912 CD2 TRP A 58 11.795 23.604 2.998 1.00 0.44 C ATOM 913 NE1 TRP A 58 12.469 21.690 2.470 1.00 0.45 N ATOM 914 CE2 TRP A 58 11.448 22.501 2.245 1.00 0.46 C ATOM 915 CE3 TRP A 58 10.978 24.730 3.059 1.00 0.46 C ATOM 916 CZ2 TRP A 58 10.251 22.533 1.532 1.00 0.50 C ATOM 917 CZ3 TRP A 58 9.789 24.759 2.351 1.00 0.50 C ATOM 918 CH2 TRP A 58 9.429 23.661 1.585 1.00 0.52 C ATOM 0 H TRP A 58 15.124 26.175 5.529 1.00 0.30 H new ATOM 0 HA TRP A 58 14.944 23.222 5.437 1.00 0.35 H new ATOM 0 HB2 TRP A 58 12.991 24.602 5.420 1.00 0.38 H new ATOM 0 HB3 TRP A 58 13.555 25.456 3.997 1.00 0.38 H new ATOM 0 HD1 TRP A 58 14.336 21.645 3.583 1.00 0.42 H new ATOM 0 HE1 TRP A 58 12.518 20.763 2.047 1.00 0.45 H new ATOM 0 HE3 TRP A 58 11.272 25.579 3.658 1.00 0.46 H new ATOM 0 HZ2 TRP A 58 9.958 21.682 0.936 1.00 0.50 H new ATOM 0 HZ3 TRP A 58 9.149 25.628 2.395 1.00 0.50 H new ATOM 0 HH2 TRP A 58 8.506 23.678 1.025 1.00 0.52 H new ATOM 929 N ASN A 59 16.088 25.008 2.858 1.00 0.46 N ATOM 930 CA ASN A 59 16.901 24.954 1.612 1.00 0.55 C ATOM 931 C ASN A 59 18.097 23.980 1.834 1.00 0.54 C ATOM 932 O ASN A 59 18.295 23.087 1.041 1.00 0.70 O ATOM 933 CB ASN A 59 17.256 26.417 1.396 1.00 0.61 C ATOM 934 CG ASN A 59 17.923 26.721 0.095 1.00 1.46 C ATOM 935 OD1 ASN A 59 17.605 26.236 -0.974 1.00 1.87 O ATOM 936 ND2 ASN A 59 18.881 27.580 0.220 1.00 1.96 N ATOM 0 H ASN A 59 15.762 25.945 3.093 1.00 0.46 H new ATOM 0 HA ASN A 59 16.417 24.557 0.720 1.00 0.55 H new ATOM 0 HB2 ASN A 59 16.344 27.010 1.467 1.00 0.61 H new ATOM 0 HB3 ASN A 59 17.910 26.740 2.206 1.00 0.61 H new ATOM 0 HD21 ASN A 59 19.408 27.879 -0.601 1.00 1.96 H new ATOM 0 HD22 ASN A 59 19.110 27.958 1.139 1.00 1.96 H new ATOM 943 N GLU A 60 18.807 24.186 2.918 1.00 0.43 N ATOM 944 CA GLU A 60 19.995 23.362 3.327 1.00 0.48 C ATOM 945 C GLU A 60 19.772 21.823 3.268 1.00 0.44 C ATOM 946 O GLU A 60 20.719 21.068 3.355 1.00 0.37 O ATOM 947 CB GLU A 60 20.418 23.742 4.789 1.00 0.40 C ATOM 948 CG GLU A 60 21.532 24.831 4.778 1.00 2.19 C ATOM 949 CD GLU A 60 20.930 26.205 4.504 1.00 4.02 C ATOM 950 OE1 GLU A 60 20.818 26.485 3.317 1.00 5.70 O ATOM 951 OE2 GLU A 60 20.630 26.848 5.504 1.00 4.24 O ATOM 0 H GLU A 60 18.598 24.938 3.575 1.00 0.43 H new ATOM 0 HA GLU A 60 20.772 23.594 2.599 1.00 0.48 H new ATOM 0 HB2 GLU A 60 19.551 24.108 5.340 1.00 0.40 H new ATOM 0 HB3 GLU A 60 20.776 22.855 5.311 1.00 0.40 H new ATOM 0 HG2 GLU A 60 22.051 24.839 5.736 1.00 2.19 H new ATOM 0 HG3 GLU A 60 22.274 24.593 4.016 1.00 2.19 H new ATOM 958 N LEU A 61 18.536 21.413 3.129 1.00 0.59 N ATOM 959 CA LEU A 61 18.112 19.982 3.058 1.00 0.54 C ATOM 960 C LEU A 61 17.711 19.545 1.643 1.00 0.47 C ATOM 961 O LEU A 61 17.576 18.367 1.382 1.00 0.41 O ATOM 962 CB LEU A 61 16.923 19.779 4.017 1.00 0.62 C ATOM 963 CG LEU A 61 17.209 20.400 5.403 1.00 0.68 C ATOM 964 CD1 LEU A 61 16.036 20.059 6.305 1.00 0.59 C ATOM 965 CD2 LEU A 61 18.489 19.840 6.030 1.00 0.74 C ATOM 0 H LEU A 61 17.752 22.062 3.057 1.00 0.59 H new ATOM 0 HA LEU A 61 18.964 19.366 3.345 1.00 0.54 H new ATOM 0 HB2 LEU A 61 16.028 20.232 3.591 1.00 0.62 H new ATOM 0 HB3 LEU A 61 16.720 18.714 4.128 1.00 0.62 H new ATOM 0 HG LEU A 61 17.341 21.476 5.287 1.00 0.68 H new ATOM 0 HD11 LEU A 61 16.203 20.482 7.295 1.00 0.59 H new ATOM 0 HD12 LEU A 61 15.120 20.473 5.883 1.00 0.59 H new ATOM 0 HD13 LEU A 61 15.941 18.976 6.385 1.00 0.59 H new ATOM 0 HD21 LEU A 61 18.651 20.304 7.003 1.00 0.74 H new ATOM 0 HD22 LEU A 61 18.392 18.762 6.154 1.00 0.74 H new ATOM 0 HD23 LEU A 61 19.337 20.055 5.380 1.00 0.74 H new ATOM 977 N LYS A 62 17.525 20.468 0.736 1.00 0.56 N ATOM 978 CA LYS A 62 17.127 20.114 -0.655 1.00 0.60 C ATOM 979 C LYS A 62 17.934 18.908 -1.177 1.00 0.72 C ATOM 980 O LYS A 62 19.151 18.941 -1.187 1.00 2.84 O ATOM 981 CB LYS A 62 17.351 21.376 -1.522 1.00 0.66 C ATOM 982 CG LYS A 62 16.935 20.969 -2.928 1.00 0.87 C ATOM 983 CD LYS A 62 17.121 22.093 -3.952 1.00 1.57 C ATOM 984 CE LYS A 62 16.167 21.829 -5.123 1.00 3.36 C ATOM 985 NZ LYS A 62 16.360 20.408 -5.554 1.00 3.70 N ATOM 0 H LYS A 62 17.634 21.468 0.905 1.00 0.56 H new ATOM 0 HA LYS A 62 16.081 19.811 -0.694 1.00 0.60 H new ATOM 0 HB2 LYS A 62 16.754 22.214 -1.161 1.00 0.66 H new ATOM 0 HB3 LYS A 62 18.394 21.693 -1.495 1.00 0.66 H new ATOM 0 HG2 LYS A 62 17.518 20.102 -3.238 1.00 0.87 H new ATOM 0 HG3 LYS A 62 15.889 20.663 -2.918 1.00 0.87 H new ATOM 0 HD2 LYS A 62 16.909 23.061 -3.498 1.00 1.57 H new ATOM 0 HD3 LYS A 62 18.153 22.124 -4.301 1.00 1.57 H new ATOM 0 HE2 LYS A 62 15.134 22.000 -4.821 1.00 3.36 H new ATOM 0 HE3 LYS A 62 16.375 22.511 -5.948 1.00 3.36 H new ATOM 0 HZ1 LYS A 62 16.114 20.314 -6.560 1.00 3.70 H new ATOM 0 HZ2 LYS A 62 17.353 20.134 -5.413 1.00 3.70 H new ATOM 0 HZ3 LYS A 62 15.747 19.787 -4.988 1.00 3.70 H new ATOM 999 N GLY A 63 17.262 17.875 -1.618 1.00 1.45 N ATOM 1000 CA GLY A 63 18.027 16.691 -2.120 1.00 0.75 C ATOM 1001 C GLY A 63 18.001 15.556 -1.130 1.00 0.58 C ATOM 1002 O GLY A 63 18.135 14.423 -1.538 1.00 0.74 O ATOM 0 H GLY A 63 16.246 17.798 -1.653 1.00 1.45 H new ATOM 0 HA2 GLY A 63 17.604 16.358 -3.068 1.00 0.75 H new ATOM 0 HA3 GLY A 63 19.059 16.980 -2.316 1.00 0.75 H new ATOM 1006 N THR A 64 17.853 15.879 0.131 1.00 0.33 N ATOM 1007 CA THR A 64 17.820 14.797 1.168 1.00 0.18 C ATOM 1008 C THR A 64 16.728 13.739 0.927 1.00 0.31 C ATOM 1009 O THR A 64 15.889 13.848 0.053 1.00 0.46 O ATOM 1010 CB THR A 64 17.636 15.461 2.604 1.00 0.20 C ATOM 1011 OG1 THR A 64 18.949 15.610 3.121 1.00 0.65 O ATOM 1012 CG2 THR A 64 16.989 14.609 3.720 1.00 0.40 C ATOM 0 H THR A 64 17.755 16.830 0.486 1.00 0.33 H new ATOM 0 HA THR A 64 18.769 14.264 1.105 1.00 0.18 H new ATOM 0 HB THR A 64 17.008 16.332 2.418 1.00 0.20 H new ATOM 0 HG1 THR A 64 18.906 16.019 4.011 1.00 0.65 H new ATOM 0 HG21 THR A 64 16.931 15.195 4.637 1.00 0.40 H new ATOM 0 HG22 THR A 64 15.986 14.312 3.415 1.00 0.40 H new ATOM 0 HG23 THR A 64 17.594 13.719 3.895 1.00 0.40 H new ATOM 1020 N SER A 65 16.766 12.717 1.739 1.00 0.39 N ATOM 1021 CA SER A 65 15.773 11.599 1.651 1.00 0.64 C ATOM 1022 C SER A 65 14.681 11.867 2.692 1.00 0.59 C ATOM 1023 O SER A 65 14.956 12.076 3.865 1.00 0.72 O ATOM 1024 CB SER A 65 16.503 10.262 1.943 1.00 0.79 C ATOM 1025 OG SER A 65 15.536 9.387 2.529 1.00 3.42 O ATOM 0 H SER A 65 17.460 12.605 2.479 1.00 0.39 H new ATOM 0 HA SER A 65 15.323 11.536 0.660 1.00 0.64 H new ATOM 0 HB2 SER A 65 16.908 9.833 1.026 1.00 0.79 H new ATOM 0 HB3 SER A 65 17.343 10.419 2.619 1.00 0.79 H new ATOM 0 HG SER A 65 15.871 9.059 3.390 1.00 3.42 H new ATOM 1031 N LYS A 66 13.440 11.863 2.262 1.00 0.64 N ATOM 1032 CA LYS A 66 12.339 12.120 3.248 1.00 0.60 C ATOM 1033 C LYS A 66 12.543 11.256 4.514 1.00 0.57 C ATOM 1034 O LYS A 66 12.468 11.758 5.612 1.00 0.44 O ATOM 1035 CB LYS A 66 10.971 11.824 2.530 1.00 0.56 C ATOM 1036 CG LYS A 66 10.895 10.375 1.936 1.00 0.51 C ATOM 1037 CD LYS A 66 9.644 10.216 1.005 1.00 0.62 C ATOM 1038 CE LYS A 66 8.298 10.426 1.754 1.00 2.09 C ATOM 1039 NZ LYS A 66 7.158 10.054 0.826 1.00 3.23 N ATOM 0 H LYS A 66 13.146 11.698 1.299 1.00 0.64 H new ATOM 0 HA LYS A 66 12.343 13.158 3.581 1.00 0.60 H new ATOM 0 HB2 LYS A 66 10.156 11.963 3.240 1.00 0.56 H new ATOM 0 HB3 LYS A 66 10.823 12.548 1.729 1.00 0.56 H new ATOM 0 HG2 LYS A 66 11.803 10.161 1.372 1.00 0.51 H new ATOM 0 HG3 LYS A 66 10.845 9.648 2.746 1.00 0.51 H new ATOM 0 HD2 LYS A 66 9.714 10.933 0.187 1.00 0.62 H new ATOM 0 HD3 LYS A 66 9.654 9.221 0.559 1.00 0.62 H new ATOM 0 HE2 LYS A 66 8.267 9.812 2.654 1.00 2.09 H new ATOM 0 HE3 LYS A 66 8.202 11.464 2.073 1.00 2.09 H new ATOM 0 HZ1 LYS A 66 6.252 10.191 1.317 1.00 3.23 H new ATOM 0 HZ2 LYS A 66 7.188 10.658 -0.020 1.00 3.23 H new ATOM 0 HZ3 LYS A 66 7.252 9.058 0.543 1.00 3.23 H new ATOM 1053 N GLU A 67 12.810 9.992 4.314 1.00 0.67 N ATOM 1054 CA GLU A 67 13.030 9.049 5.440 1.00 0.69 C ATOM 1055 C GLU A 67 14.041 9.623 6.449 1.00 0.53 C ATOM 1056 O GLU A 67 13.791 9.605 7.634 1.00 0.49 O ATOM 1057 CB GLU A 67 13.483 7.739 4.763 1.00 0.88 C ATOM 1058 CG GLU A 67 12.231 6.837 4.399 1.00 1.74 C ATOM 1059 CD GLU A 67 11.627 6.085 5.589 1.00 3.66 C ATOM 1060 OE1 GLU A 67 12.253 6.014 6.630 1.00 4.55 O ATOM 1061 OE2 GLU A 67 10.531 5.582 5.440 1.00 4.35 O ATOM 0 H GLU A 67 12.886 9.567 3.390 1.00 0.67 H new ATOM 0 HA GLU A 67 12.138 8.873 6.042 1.00 0.69 H new ATOM 0 HB2 GLU A 67 14.049 7.967 3.860 1.00 0.88 H new ATOM 0 HB3 GLU A 67 14.151 7.192 5.428 1.00 0.88 H new ATOM 0 HG2 GLU A 67 11.461 7.467 3.954 1.00 1.74 H new ATOM 0 HG3 GLU A 67 12.528 6.113 3.640 1.00 1.74 H new ATOM 1068 N ASP A 68 15.141 10.131 5.976 1.00 0.47 N ATOM 1069 CA ASP A 68 16.179 10.709 6.867 1.00 0.24 C ATOM 1070 C ASP A 68 15.586 11.880 7.645 1.00 0.21 C ATOM 1071 O ASP A 68 15.715 11.990 8.849 1.00 0.16 O ATOM 1072 CB ASP A 68 17.307 11.075 5.914 1.00 0.38 C ATOM 1073 CG ASP A 68 17.920 9.801 5.339 1.00 0.82 C ATOM 1074 OD1 ASP A 68 17.169 9.000 4.796 1.00 1.12 O ATOM 1075 OD2 ASP A 68 19.122 9.719 5.480 1.00 1.63 O ATOM 0 H ASP A 68 15.369 10.170 4.983 1.00 0.47 H new ATOM 0 HA ASP A 68 16.553 10.040 7.642 1.00 0.24 H new ATOM 0 HB2 ASP A 68 16.928 11.704 5.109 1.00 0.38 H new ATOM 0 HB3 ASP A 68 18.068 11.653 6.439 1.00 0.38 H new ATOM 1080 N ALA A 69 14.943 12.722 6.893 1.00 0.26 N ATOM 1081 CA ALA A 69 14.292 13.924 7.504 1.00 0.20 C ATOM 1082 C ALA A 69 13.288 13.406 8.576 1.00 0.19 C ATOM 1083 O ALA A 69 13.231 13.930 9.669 1.00 0.19 O ATOM 1084 CB ALA A 69 13.614 14.686 6.366 1.00 0.16 C ATOM 0 H ALA A 69 14.836 12.636 5.882 1.00 0.26 H new ATOM 0 HA ALA A 69 14.988 14.602 7.998 1.00 0.20 H new ATOM 0 HB1 ALA A 69 13.124 15.574 6.764 1.00 0.16 H new ATOM 0 HB2 ALA A 69 14.362 14.983 5.631 1.00 0.16 H new ATOM 0 HB3 ALA A 69 12.872 14.045 5.890 1.00 0.16 H new ATOM 1090 N MET A 70 12.531 12.390 8.239 1.00 0.28 N ATOM 1091 CA MET A 70 11.543 11.787 9.153 1.00 0.32 C ATOM 1092 C MET A 70 12.264 11.329 10.429 1.00 0.34 C ATOM 1093 O MET A 70 11.997 11.774 11.521 1.00 0.35 O ATOM 1094 CB MET A 70 10.926 10.631 8.378 1.00 0.44 C ATOM 1095 CG MET A 70 10.020 11.168 7.263 1.00 0.29 C ATOM 1096 SD MET A 70 9.294 9.969 6.119 1.00 0.34 S ATOM 1097 CE MET A 70 7.553 10.286 6.490 1.00 1.08 C ATOM 0 H MET A 70 12.570 11.943 7.323 1.00 0.28 H new ATOM 0 HA MET A 70 10.762 12.478 9.470 1.00 0.32 H new ATOM 0 HB2 MET A 70 11.712 10.009 7.950 1.00 0.44 H new ATOM 0 HB3 MET A 70 10.350 9.998 9.052 1.00 0.44 H new ATOM 0 HG2 MET A 70 9.205 11.722 7.730 1.00 0.29 H new ATOM 0 HG3 MET A 70 10.597 11.884 6.677 1.00 0.29 H new ATOM 0 HE1 MET A 70 6.927 9.637 5.879 1.00 1.08 H new ATOM 0 HE2 MET A 70 7.363 10.085 7.544 1.00 1.08 H new ATOM 0 HE3 MET A 70 7.318 11.328 6.271 1.00 1.08 H new ATOM 1107 N LYS A 71 13.178 10.433 10.201 1.00 0.34 N ATOM 1108 CA LYS A 71 14.008 9.837 11.286 1.00 0.30 C ATOM 1109 C LYS A 71 14.551 10.961 12.175 1.00 0.26 C ATOM 1110 O LYS A 71 14.245 11.055 13.344 1.00 0.26 O ATOM 1111 CB LYS A 71 15.177 9.054 10.663 1.00 0.23 C ATOM 1112 CG LYS A 71 14.644 7.839 9.919 1.00 0.38 C ATOM 1113 CD LYS A 71 15.851 7.061 9.355 1.00 0.34 C ATOM 1114 CE LYS A 71 15.415 6.155 8.208 1.00 2.32 C ATOM 1115 NZ LYS A 71 14.163 5.430 8.607 1.00 5.03 N ATOM 0 H LYS A 71 13.393 10.074 9.271 1.00 0.34 H new ATOM 0 HA LYS A 71 13.403 9.158 11.887 1.00 0.30 H new ATOM 0 HB2 LYS A 71 15.733 9.695 9.979 1.00 0.23 H new ATOM 0 HB3 LYS A 71 15.872 8.739 11.441 1.00 0.23 H new ATOM 0 HG2 LYS A 71 14.062 7.206 10.589 1.00 0.38 H new ATOM 0 HG3 LYS A 71 13.978 8.147 9.113 1.00 0.38 H new ATOM 0 HD2 LYS A 71 16.610 7.760 9.005 1.00 0.34 H new ATOM 0 HD3 LYS A 71 16.307 6.464 10.145 1.00 0.34 H new ATOM 0 HE2 LYS A 71 15.238 6.745 7.309 1.00 2.32 H new ATOM 0 HE3 LYS A 71 16.204 5.441 7.971 1.00 2.32 H new ATOM 0 HZ1 LYS A 71 14.238 4.430 8.331 1.00 5.03 H new ATOM 0 HZ2 LYS A 71 14.037 5.497 9.637 1.00 5.03 H new ATOM 0 HZ3 LYS A 71 13.345 5.860 8.129 1.00 5.03 H new ATOM 1129 N ALA A 72 15.331 11.805 11.557 1.00 0.25 N ATOM 1130 CA ALA A 72 15.952 12.954 12.248 1.00 0.23 C ATOM 1131 C ALA A 72 14.879 13.689 13.051 1.00 0.26 C ATOM 1132 O ALA A 72 15.055 14.025 14.202 1.00 0.36 O ATOM 1133 CB ALA A 72 16.563 13.813 11.142 1.00 0.23 C ATOM 0 H ALA A 72 15.567 11.736 10.567 1.00 0.25 H new ATOM 0 HA ALA A 72 16.726 12.670 12.961 1.00 0.23 H new ATOM 0 HB1 ALA A 72 17.043 14.687 11.583 1.00 0.23 H new ATOM 0 HB2 ALA A 72 17.304 13.229 10.595 1.00 0.23 H new ATOM 0 HB3 ALA A 72 15.779 14.137 10.457 1.00 0.23 H new ATOM 1139 N TYR A 73 13.762 13.897 12.411 1.00 0.32 N ATOM 1140 CA TYR A 73 12.642 14.606 13.082 1.00 0.33 C ATOM 1141 C TYR A 73 12.168 13.801 14.310 1.00 0.33 C ATOM 1142 O TYR A 73 11.927 14.352 15.357 1.00 0.48 O ATOM 1143 CB TYR A 73 11.553 14.752 12.046 1.00 0.38 C ATOM 1144 CG TYR A 73 10.566 15.805 12.480 1.00 0.32 C ATOM 1145 CD1 TYR A 73 9.534 15.481 13.318 1.00 0.60 C ATOM 1146 CD2 TYR A 73 10.708 17.091 12.026 1.00 0.13 C ATOM 1147 CE1 TYR A 73 8.638 16.439 13.706 1.00 0.72 C ATOM 1148 CE2 TYR A 73 9.814 18.055 12.407 1.00 0.30 C ATOM 1149 CZ TYR A 73 8.772 17.732 13.253 1.00 0.58 C ATOM 1150 OH TYR A 73 7.869 18.693 13.646 1.00 0.75 O ATOM 0 H TYR A 73 13.578 13.605 11.451 1.00 0.32 H new ATOM 0 HA TYR A 73 12.940 15.586 13.453 1.00 0.33 H new ATOM 0 HB2 TYR A 73 11.989 15.024 11.085 1.00 0.38 H new ATOM 0 HB3 TYR A 73 11.043 13.799 11.906 1.00 0.38 H new ATOM 0 HD1 TYR A 73 9.427 14.467 13.674 1.00 0.60 H new ATOM 0 HD2 TYR A 73 11.526 17.344 11.367 1.00 0.13 H new ATOM 0 HE1 TYR A 73 7.825 16.181 14.368 1.00 0.72 H new ATOM 0 HE2 TYR A 73 9.924 19.067 12.046 1.00 0.30 H new ATOM 0 HH TYR A 73 7.660 19.276 12.886 1.00 0.75 H new ATOM 1160 N ILE A 74 12.051 12.519 14.144 1.00 0.33 N ATOM 1161 CA ILE A 74 11.596 11.644 15.276 1.00 0.37 C ATOM 1162 C ILE A 74 12.640 11.709 16.406 1.00 0.33 C ATOM 1163 O ILE A 74 12.283 12.033 17.522 1.00 0.35 O ATOM 1164 CB ILE A 74 11.433 10.180 14.786 1.00 0.54 C ATOM 1165 CG1 ILE A 74 10.345 10.083 13.662 1.00 0.50 C ATOM 1166 CG2 ILE A 74 10.928 9.359 16.008 1.00 0.71 C ATOM 1167 CD1 ILE A 74 10.452 8.690 13.007 1.00 0.75 C ATOM 0 H ILE A 74 12.250 12.028 13.272 1.00 0.33 H new ATOM 0 HA ILE A 74 10.632 11.994 15.645 1.00 0.37 H new ATOM 0 HB ILE A 74 12.380 9.814 14.389 1.00 0.54 H new ATOM 0 HG12 ILE A 74 9.350 10.230 14.082 1.00 0.50 H new ATOM 0 HG13 ILE A 74 10.496 10.865 12.918 1.00 0.50 H new ATOM 0 HG21 ILE A 74 10.796 8.317 15.717 1.00 0.71 H new ATOM 0 HG22 ILE A 74 11.658 9.421 16.815 1.00 0.71 H new ATOM 0 HG23 ILE A 74 9.975 9.764 16.350 1.00 0.71 H new ATOM 0 HD11 ILE A 74 9.703 8.599 12.220 1.00 0.75 H new ATOM 0 HD12 ILE A 74 11.446 8.565 12.578 1.00 0.75 H new ATOM 0 HD13 ILE A 74 10.283 7.920 13.760 1.00 0.75 H new ATOM 1179 N ASP A 75 13.878 11.422 16.104 1.00 0.30 N ATOM 1180 CA ASP A 75 14.921 11.466 17.139 1.00 0.29 C ATOM 1181 C ASP A 75 14.890 12.879 17.776 1.00 0.21 C ATOM 1182 O ASP A 75 14.916 13.026 18.981 1.00 0.37 O ATOM 1183 CB ASP A 75 16.190 11.114 16.381 1.00 0.27 C ATOM 1184 CG ASP A 75 16.149 9.642 15.963 1.00 0.28 C ATOM 1185 OD1 ASP A 75 16.270 8.799 16.835 1.00 0.31 O ATOM 1186 OD2 ASP A 75 15.996 9.445 14.768 1.00 0.28 O ATOM 0 H ASP A 75 14.202 11.158 15.174 1.00 0.30 H new ATOM 0 HA ASP A 75 14.809 10.778 17.977 1.00 0.29 H new ATOM 0 HB2 ASP A 75 16.288 11.749 15.501 1.00 0.27 H new ATOM 0 HB3 ASP A 75 17.063 11.300 17.007 1.00 0.27 H new ATOM 1191 N LYS A 76 14.805 13.891 16.953 1.00 0.29 N ATOM 1192 CA LYS A 76 14.773 15.284 17.503 1.00 0.39 C ATOM 1193 C LYS A 76 13.522 15.477 18.370 1.00 0.39 C ATOM 1194 O LYS A 76 13.639 16.048 19.434 1.00 0.37 O ATOM 1195 CB LYS A 76 14.776 16.342 16.354 1.00 0.59 C ATOM 1196 CG LYS A 76 15.876 17.432 16.694 1.00 1.01 C ATOM 1197 CD LYS A 76 15.642 18.145 18.082 1.00 1.19 C ATOM 1198 CE LYS A 76 16.973 18.676 18.660 1.00 1.55 C ATOM 1199 NZ LYS A 76 17.338 19.965 18.003 1.00 1.90 N ATOM 0 H LYS A 76 14.757 13.819 15.937 1.00 0.29 H new ATOM 0 HA LYS A 76 15.667 15.427 18.110 1.00 0.39 H new ATOM 0 HB2 LYS A 76 14.994 15.866 15.398 1.00 0.59 H new ATOM 0 HB3 LYS A 76 13.795 16.807 16.262 1.00 0.59 H new ATOM 0 HG2 LYS A 76 16.858 16.958 16.698 1.00 1.01 H new ATOM 0 HG3 LYS A 76 15.888 18.184 15.905 1.00 1.01 H new ATOM 0 HD2 LYS A 76 14.940 18.970 17.958 1.00 1.19 H new ATOM 0 HD3 LYS A 76 15.190 17.444 18.784 1.00 1.19 H new ATOM 0 HE2 LYS A 76 16.879 18.821 19.736 1.00 1.55 H new ATOM 0 HE3 LYS A 76 17.764 17.943 18.505 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 18.265 19.869 17.542 1.00 1.90 H new ATOM 0 HZ2 LYS A 76 16.620 20.207 17.290 1.00 1.90 H new ATOM 0 HZ3 LYS A 76 17.383 20.719 18.718 1.00 1.90 H new ATOM 1213 N VAL A 77 12.351 15.042 17.962 1.00 0.52 N ATOM 1214 CA VAL A 77 11.182 15.254 18.865 1.00 0.61 C ATOM 1215 C VAL A 77 11.553 14.524 20.156 1.00 0.51 C ATOM 1216 O VAL A 77 11.466 15.082 21.233 1.00 0.63 O ATOM 1217 CB VAL A 77 9.916 14.659 18.218 1.00 0.94 C ATOM 1218 CG1 VAL A 77 8.787 14.623 19.276 1.00 1.12 C ATOM 1219 CG2 VAL A 77 9.483 15.625 17.077 1.00 1.09 C ATOM 0 H VAL A 77 12.161 14.568 17.079 1.00 0.52 H new ATOM 0 HA VAL A 77 10.968 16.306 19.054 1.00 0.61 H new ATOM 0 HB VAL A 77 10.106 13.655 17.840 1.00 0.94 H new ATOM 0 HG11 VAL A 77 7.885 14.204 18.831 1.00 1.12 H new ATOM 0 HG12 VAL A 77 9.097 14.005 20.118 1.00 1.12 H new ATOM 0 HG13 VAL A 77 8.583 15.635 19.625 1.00 1.12 H new ATOM 0 HG21 VAL A 77 8.587 15.237 16.593 1.00 1.09 H new ATOM 0 HG22 VAL A 77 9.273 16.610 17.494 1.00 1.09 H new ATOM 0 HG23 VAL A 77 10.286 15.705 16.344 1.00 1.09 H new ATOM 1229 N GLU A 78 11.984 13.302 20.008 1.00 0.49 N ATOM 1230 CA GLU A 78 12.369 12.533 21.217 1.00 0.69 C ATOM 1231 C GLU A 78 13.357 13.396 22.040 1.00 0.60 C ATOM 1232 O GLU A 78 13.215 13.397 23.254 1.00 0.76 O ATOM 1233 CB GLU A 78 12.936 11.176 20.717 1.00 0.72 C ATOM 1234 CG GLU A 78 11.734 10.138 20.849 1.00 1.07 C ATOM 1235 CD GLU A 78 12.134 8.723 21.225 1.00 0.51 C ATOM 1236 OE1 GLU A 78 12.849 8.645 22.210 1.00 1.90 O ATOM 1237 OE2 GLU A 78 11.689 7.834 20.524 1.00 2.44 O ATOM 0 H GLU A 78 12.084 12.813 19.119 1.00 0.49 H new ATOM 0 HA GLU A 78 11.542 12.308 21.890 1.00 0.69 H new ATOM 0 HB2 GLU A 78 13.279 11.250 19.685 1.00 0.72 H new ATOM 0 HB3 GLU A 78 13.792 10.864 21.316 1.00 0.72 H new ATOM 0 HG2 GLU A 78 11.035 10.511 21.598 1.00 1.07 H new ATOM 0 HG3 GLU A 78 11.198 10.106 19.900 1.00 1.07 H new ATOM 1244 N GLU A 79 14.286 14.090 21.417 1.00 0.49 N ATOM 1245 CA GLU A 79 15.243 14.950 22.194 1.00 0.68 C ATOM 1246 C GLU A 79 14.354 16.012 22.889 1.00 0.54 C ATOM 1247 O GLU A 79 14.313 16.124 24.092 1.00 0.67 O ATOM 1248 CB GLU A 79 16.233 15.722 21.273 1.00 0.92 C ATOM 1249 CG GLU A 79 17.299 14.861 20.511 1.00 1.32 C ATOM 1250 CD GLU A 79 18.146 15.778 19.597 1.00 1.78 C ATOM 1251 OE1 GLU A 79 18.703 16.722 20.150 1.00 3.51 O ATOM 1252 OE2 GLU A 79 18.191 15.504 18.405 1.00 1.21 O ATOM 0 H GLU A 79 14.423 14.098 20.406 1.00 0.49 H new ATOM 0 HA GLU A 79 15.830 14.327 22.869 1.00 0.68 H new ATOM 0 HB2 GLU A 79 15.651 16.275 20.536 1.00 0.92 H new ATOM 0 HB3 GLU A 79 16.760 16.458 21.880 1.00 0.92 H new ATOM 0 HG2 GLU A 79 17.943 14.346 21.224 1.00 1.32 H new ATOM 0 HG3 GLU A 79 16.804 14.094 19.916 1.00 1.32 H new ATOM 1259 N LEU A 80 13.647 16.777 22.100 1.00 0.36 N ATOM 1260 CA LEU A 80 12.747 17.846 22.645 1.00 0.29 C ATOM 1261 C LEU A 80 11.846 17.406 23.776 1.00 0.27 C ATOM 1262 O LEU A 80 11.614 18.141 24.712 1.00 0.58 O ATOM 1263 CB LEU A 80 11.850 18.422 21.520 1.00 0.24 C ATOM 1264 CG LEU A 80 12.674 19.090 20.410 1.00 0.26 C ATOM 1265 CD1 LEU A 80 11.712 19.849 19.515 1.00 0.37 C ATOM 1266 CD2 LEU A 80 13.650 20.127 20.978 1.00 0.19 C ATOM 0 H LEU A 80 13.653 16.708 21.082 1.00 0.36 H new ATOM 0 HA LEU A 80 13.428 18.595 23.049 1.00 0.29 H new ATOM 0 HB2 LEU A 80 11.247 17.621 21.092 1.00 0.24 H new ATOM 0 HB3 LEU A 80 11.158 19.149 21.945 1.00 0.24 H new ATOM 0 HG LEU A 80 13.232 18.315 19.884 1.00 0.26 H new ATOM 0 HD11 LEU A 80 12.268 20.336 18.714 1.00 0.37 H new ATOM 0 HD12 LEU A 80 10.990 19.155 19.085 1.00 0.37 H new ATOM 0 HD13 LEU A 80 11.186 20.602 20.102 1.00 0.37 H new ATOM 0 HD21 LEU A 80 14.216 20.579 20.163 1.00 0.19 H new ATOM 0 HD22 LEU A 80 13.092 20.901 21.505 1.00 0.19 H new ATOM 0 HD23 LEU A 80 14.337 19.640 21.670 1.00 0.19 H new ATOM 1278 N LYS A 81 11.393 16.205 23.668 1.00 0.34 N ATOM 1279 CA LYS A 81 10.484 15.630 24.688 1.00 0.37 C ATOM 1280 C LYS A 81 11.322 15.350 25.928 1.00 0.41 C ATOM 1281 O LYS A 81 10.868 15.571 27.026 1.00 0.39 O ATOM 1282 CB LYS A 81 9.879 14.427 23.969 1.00 0.51 C ATOM 1283 CG LYS A 81 8.838 13.662 24.816 1.00 0.33 C ATOM 1284 CD LYS A 81 7.927 12.878 23.824 1.00 0.61 C ATOM 1285 CE LYS A 81 6.959 11.955 24.552 1.00 1.87 C ATOM 1286 NZ LYS A 81 6.132 11.317 23.482 1.00 1.35 N ATOM 0 H LYS A 81 11.617 15.576 22.897 1.00 0.34 H new ATOM 0 HA LYS A 81 9.667 16.252 25.055 1.00 0.37 H new ATOM 0 HB2 LYS A 81 9.407 14.765 23.046 1.00 0.51 H new ATOM 0 HB3 LYS A 81 10.679 13.743 23.686 1.00 0.51 H new ATOM 0 HG2 LYS A 81 9.331 12.979 25.508 1.00 0.33 H new ATOM 0 HG3 LYS A 81 8.247 14.353 25.417 1.00 0.33 H new ATOM 0 HD2 LYS A 81 7.365 13.583 23.212 1.00 0.61 H new ATOM 0 HD3 LYS A 81 8.548 12.292 23.146 1.00 0.61 H new ATOM 0 HE2 LYS A 81 7.495 11.205 25.133 1.00 1.87 H new ATOM 0 HE3 LYS A 81 6.335 12.513 25.250 1.00 1.87 H new ATOM 0 HZ1 LYS A 81 5.210 11.040 23.875 1.00 1.35 H new ATOM 0 HZ2 LYS A 81 5.988 11.993 22.705 1.00 1.35 H new ATOM 0 HZ3 LYS A 81 6.622 10.474 23.121 1.00 1.35 H new ATOM 1300 N LYS A 82 12.527 14.870 25.769 1.00 0.58 N ATOM 1301 CA LYS A 82 13.371 14.608 26.986 1.00 0.70 C ATOM 1302 C LYS A 82 13.827 15.964 27.605 1.00 0.73 C ATOM 1303 O LYS A 82 13.842 16.146 28.801 1.00 0.92 O ATOM 1304 CB LYS A 82 14.548 13.758 26.513 1.00 0.64 C ATOM 1305 CG LYS A 82 13.972 12.416 26.005 1.00 0.70 C ATOM 1306 CD LYS A 82 15.055 11.703 25.177 1.00 2.22 C ATOM 1307 CE LYS A 82 14.531 10.367 24.643 1.00 2.49 C ATOM 1308 NZ LYS A 82 13.381 10.617 23.720 1.00 2.20 N ATOM 0 H LYS A 82 12.962 14.650 24.873 1.00 0.58 H new ATOM 0 HA LYS A 82 12.827 14.080 27.769 1.00 0.70 H new ATOM 0 HB2 LYS A 82 15.095 14.267 25.719 1.00 0.64 H new ATOM 0 HB3 LYS A 82 15.252 13.590 27.328 1.00 0.64 H new ATOM 0 HG2 LYS A 82 13.666 11.793 26.845 1.00 0.70 H new ATOM 0 HG3 LYS A 82 13.084 12.591 25.397 1.00 0.70 H new ATOM 0 HD2 LYS A 82 15.362 12.338 24.346 1.00 2.22 H new ATOM 0 HD3 LYS A 82 15.939 11.534 25.792 1.00 2.22 H new ATOM 0 HE2 LYS A 82 15.325 9.837 24.117 1.00 2.49 H new ATOM 0 HE3 LYS A 82 14.216 9.731 25.470 1.00 2.49 H new ATOM 0 HZ1 LYS A 82 13.480 10.022 22.873 1.00 2.20 H new ATOM 0 HZ2 LYS A 82 12.490 10.384 24.204 1.00 2.20 H new ATOM 0 HZ3 LYS A 82 13.372 11.619 23.441 1.00 2.20 H new ATOM 1322 N LYS A 83 14.194 16.861 26.736 1.00 0.62 N ATOM 1323 CA LYS A 83 14.676 18.258 27.009 1.00 0.66 C ATOM 1324 C LYS A 83 13.672 19.187 27.679 1.00 0.71 C ATOM 1325 O LYS A 83 13.946 19.844 28.662 1.00 0.95 O ATOM 1326 CB LYS A 83 15.086 18.795 25.654 1.00 0.55 C ATOM 1327 CG LYS A 83 15.567 20.261 25.633 1.00 0.76 C ATOM 1328 CD LYS A 83 16.842 20.530 26.461 1.00 2.13 C ATOM 1329 CE LYS A 83 17.059 22.050 26.486 1.00 2.05 C ATOM 1330 NZ LYS A 83 17.349 22.532 25.099 1.00 2.18 N ATOM 0 H LYS A 83 14.177 16.659 25.736 1.00 0.62 H new ATOM 0 HA LYS A 83 15.486 18.218 27.737 1.00 0.66 H new ATOM 0 HB2 LYS A 83 15.883 18.165 25.260 1.00 0.55 H new ATOM 0 HB3 LYS A 83 14.239 18.700 24.975 1.00 0.55 H new ATOM 0 HG2 LYS A 83 15.752 20.554 24.600 1.00 0.76 H new ATOM 0 HG3 LYS A 83 14.765 20.898 26.007 1.00 0.76 H new ATOM 0 HD2 LYS A 83 16.732 20.141 27.473 1.00 2.13 H new ATOM 0 HD3 LYS A 83 17.701 20.027 26.018 1.00 2.13 H new ATOM 0 HE2 LYS A 83 16.173 22.549 26.879 1.00 2.05 H new ATOM 0 HE3 LYS A 83 17.886 22.300 27.150 1.00 2.05 H new ATOM 0 HZ1 LYS A 83 18.070 23.281 25.135 1.00 2.18 H new ATOM 0 HZ2 LYS A 83 17.701 21.741 24.523 1.00 2.18 H new ATOM 0 HZ3 LYS A 83 16.478 22.910 24.674 1.00 2.18 H new ATOM 1344 N TYR A 84 12.539 19.194 27.058 1.00 0.50 N ATOM 1345 CA TYR A 84 11.366 20.030 27.506 1.00 0.56 C ATOM 1346 C TYR A 84 10.208 19.247 28.186 1.00 0.95 C ATOM 1347 O TYR A 84 9.515 19.852 28.975 1.00 1.81 O ATOM 1348 CB TYR A 84 10.818 20.822 26.254 1.00 0.97 C ATOM 1349 CG TYR A 84 11.969 21.691 25.702 1.00 1.03 C ATOM 1350 CD1 TYR A 84 12.346 22.844 26.370 1.00 2.98 C ATOM 1351 CD2 TYR A 84 12.663 21.333 24.557 1.00 2.18 C ATOM 1352 CE1 TYR A 84 13.390 23.615 25.907 1.00 3.30 C ATOM 1353 CE2 TYR A 84 13.715 22.114 24.097 1.00 2.17 C ATOM 1354 CZ TYR A 84 14.083 23.255 24.773 1.00 1.78 C ATOM 1355 OH TYR A 84 15.141 24.028 24.336 1.00 2.28 O ATOM 0 H TYR A 84 12.354 18.638 26.223 1.00 0.50 H new ATOM 0 HA TYR A 84 11.741 20.694 28.285 1.00 0.56 H new ATOM 0 HB2 TYR A 84 10.462 20.130 25.491 1.00 0.97 H new ATOM 0 HB3 TYR A 84 9.971 21.446 26.538 1.00 0.97 H new ATOM 0 HD1 TYR A 84 11.816 23.142 27.263 1.00 2.98 H new ATOM 0 HD2 TYR A 84 12.383 20.440 24.018 1.00 2.18 H new ATOM 0 HE1 TYR A 84 13.668 24.512 26.440 1.00 3.30 H new ATOM 0 HE2 TYR A 84 14.248 21.824 23.203 1.00 2.17 H new ATOM 0 HH TYR A 84 15.569 24.460 25.104 1.00 2.28 H new