USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 94 HIS HD1 : A 94 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0529) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0284 (180deg=-0.198) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.053 (180deg=-0.309) USER MOD Single : A 65 ASN : amide:sc= -0.156 K(o=-0.16,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 69 CYS SG : rot -140:sc= -1.17 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-0.89) USER MOD Single : A 74 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.011) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.114 (180deg=-0.428) USER MOD Single : A 78 SER OG : rot 29:sc= -1.18 USER MOD Single : A 81 SER OG : rot 33:sc= 0.272 USER MOD Single : A 82 TYR OH : rot 38:sc= 0.442 USER MOD Single : A 86 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-0.042) USER MOD Single : A 90 TYR OH : rot 130:sc= -0.0491 USER MOD Single : A 92 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.486) USER MOD Single : A 96 GLN : amide:sc= -0.0703 K(o=-0.07,f=-1.2) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0203 (180deg=-0.249) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 -20.067 -0.426 13.780 1.00 8.49 N ATOM 2 CA ARG A 36 -19.473 -1.231 12.713 1.00 8.09 C ATOM 3 C ARG A 36 -20.190 -0.942 11.402 1.00 7.16 C ATOM 4 O ARG A 36 -20.942 -1.782 10.901 1.00 7.20 O ATOM 5 CB ARG A 36 -19.580 -2.742 13.005 1.00 8.73 C ATOM 6 CG ARG A 36 -18.950 -3.208 14.305 1.00 9.34 C ATOM 7 CD ARG A 36 -18.986 -4.730 14.405 1.00 9.76 C ATOM 8 NE ARG A 36 -18.079 -5.366 13.431 1.00 10.25 N ATOM 9 CZ ARG A 36 -18.368 -6.418 12.647 1.00 10.86 C ATOM 10 NH1 ARG A 36 -19.602 -6.894 12.586 1.00 11.04 N ATOM 11 NH2 ARG A 36 -17.416 -6.971 11.902 1.00 11.43 N ATOM 0 HA ARG A 36 -18.418 -0.964 12.649 1.00 8.09 H new ATOM 0 HB2 ARG A 36 -20.635 -3.018 13.015 1.00 8.73 H new ATOM 0 HB3 ARG A 36 -19.116 -3.286 12.182 1.00 8.73 H new ATOM 0 HG2 ARG A 36 -17.919 -2.859 14.361 1.00 9.34 H new ATOM 0 HG3 ARG A 36 -19.481 -2.770 15.150 1.00 9.34 H new ATOM 0 HD2 ARG A 36 -18.707 -5.034 15.414 1.00 9.76 H new ATOM 0 HD3 ARG A 36 -20.004 -5.081 14.236 1.00 9.76 H new ATOM 0 HE ARG A 36 -17.143 -4.969 13.344 1.00 10.25 H new ATOM 0 HH11 ARG A 36 -20.343 -6.462 13.137 1.00 11.04 H new ATOM 0 HH12 ARG A 36 -19.811 -7.693 11.988 1.00 11.04 H new ATOM 0 HH21 ARG A 36 -16.468 -6.597 11.926 1.00 11.43 H new ATOM 0 HH22 ARG A 36 -17.634 -7.770 11.306 1.00 11.43 H new ATOM 27 N ALA A 37 -19.993 0.233 10.848 1.00 6.54 N ATOM 28 CA ALA A 37 -20.669 0.577 9.610 1.00 5.87 C ATOM 29 C ALA A 37 -19.695 1.052 8.546 1.00 4.78 C ATOM 30 O ALA A 37 -20.098 1.386 7.425 1.00 4.82 O ATOM 31 CB ALA A 37 -21.762 1.608 9.852 1.00 6.41 C ATOM 0 H ALA A 37 -19.382 0.958 11.224 1.00 6.54 H new ATOM 0 HA ALA A 37 -21.138 -0.332 9.234 1.00 5.87 H new ATOM 0 HB1 ALA A 37 -22.252 1.847 8.908 1.00 6.41 H new ATOM 0 HB2 ALA A 37 -22.496 1.204 10.549 1.00 6.41 H new ATOM 0 HB3 ALA A 37 -21.322 2.513 10.272 1.00 6.41 H new ATOM 37 N GLN A 38 -18.424 1.065 8.874 1.00 4.17 N ATOM 38 CA GLN A 38 -17.414 1.491 7.934 1.00 3.41 C ATOM 39 C GLN A 38 -17.024 0.330 7.035 1.00 2.53 C ATOM 40 O GLN A 38 -16.040 -0.368 7.283 1.00 2.77 O ATOM 41 CB GLN A 38 -16.189 2.084 8.634 1.00 4.03 C ATOM 42 CG GLN A 38 -16.481 3.330 9.451 1.00 4.53 C ATOM 43 CD GLN A 38 -15.237 3.914 10.083 1.00 4.94 C ATOM 44 OE1 GLN A 38 -14.132 3.805 9.546 1.00 4.96 O ATOM 45 NE2 GLN A 38 -15.395 4.552 11.203 1.00 5.66 N ATOM 0 H GLN A 38 -18.065 0.785 9.787 1.00 4.17 H new ATOM 0 HA GLN A 38 -17.838 2.287 7.322 1.00 3.41 H new ATOM 0 HB2 GLN A 38 -15.757 1.327 9.289 1.00 4.03 H new ATOM 0 HB3 GLN A 38 -15.436 2.324 7.883 1.00 4.03 H new ATOM 0 HG2 GLN A 38 -16.945 4.080 8.810 1.00 4.53 H new ATOM 0 HG3 GLN A 38 -17.202 3.088 10.232 1.00 4.53 H new ATOM 0 HE21 GLN A 38 -16.322 4.625 11.622 1.00 5.66 H new ATOM 0 HE22 GLN A 38 -14.592 4.980 11.664 1.00 5.66 H new ATOM 54 N VAL A 39 -17.845 0.093 6.037 1.00 2.13 N ATOM 55 CA VAL A 39 -17.647 -0.999 5.094 1.00 1.81 C ATOM 56 C VAL A 39 -17.572 -0.481 3.655 1.00 1.43 C ATOM 57 O VAL A 39 -17.494 -1.257 2.699 1.00 2.28 O ATOM 58 CB VAL A 39 -18.778 -2.062 5.208 1.00 2.82 C ATOM 59 CG1 VAL A 39 -18.724 -2.769 6.557 1.00 3.61 C ATOM 60 CG2 VAL A 39 -20.143 -1.409 5.012 1.00 3.61 C ATOM 0 H VAL A 39 -18.677 0.653 5.850 1.00 2.13 H new ATOM 0 HA VAL A 39 -16.698 -1.471 5.349 1.00 1.81 H new ATOM 0 HB VAL A 39 -18.626 -2.804 4.424 1.00 2.82 H new ATOM 0 HG11 VAL A 39 -19.524 -3.507 6.613 1.00 3.61 H new ATOM 0 HG12 VAL A 39 -17.761 -3.268 6.668 1.00 3.61 H new ATOM 0 HG13 VAL A 39 -18.848 -2.038 7.356 1.00 3.61 H new ATOM 0 HG21 VAL A 39 -20.923 -2.165 5.095 1.00 3.61 H new ATOM 0 HG22 VAL A 39 -20.295 -0.646 5.776 1.00 3.61 H new ATOM 0 HG23 VAL A 39 -20.188 -0.948 4.025 1.00 3.61 H new ATOM 70 N LYS A 40 -17.608 0.818 3.512 1.00 0.73 N ATOM 71 CA LYS A 40 -17.517 1.472 2.221 1.00 0.83 C ATOM 72 C LYS A 40 -16.374 2.446 2.305 1.00 0.55 C ATOM 73 O LYS A 40 -16.554 3.663 2.385 1.00 0.71 O ATOM 74 CB LYS A 40 -18.827 2.181 1.859 1.00 1.56 C ATOM 75 CG LYS A 40 -20.030 1.248 1.732 1.00 1.93 C ATOM 76 CD LYS A 40 -21.309 2.003 1.391 1.00 2.54 C ATOM 77 CE LYS A 40 -21.262 2.638 0.005 1.00 3.45 C ATOM 78 NZ LYS A 40 -21.229 1.635 -1.089 1.00 3.90 N ATOM 0 H LYS A 40 -17.702 1.465 4.295 1.00 0.73 H new ATOM 0 HA LYS A 40 -17.342 0.740 1.432 1.00 0.83 H new ATOM 0 HB2 LYS A 40 -19.043 2.932 2.619 1.00 1.56 H new ATOM 0 HB3 LYS A 40 -18.692 2.711 0.916 1.00 1.56 H new ATOM 0 HG2 LYS A 40 -19.832 0.505 0.960 1.00 1.93 H new ATOM 0 HG3 LYS A 40 -20.168 0.706 2.668 1.00 1.93 H new ATOM 0 HD2 LYS A 40 -22.156 1.319 1.445 1.00 2.54 H new ATOM 0 HD3 LYS A 40 -21.478 2.779 2.137 1.00 2.54 H new ATOM 0 HE2 LYS A 40 -22.133 3.281 -0.124 1.00 3.45 H new ATOM 0 HE3 LYS A 40 -20.381 3.276 -0.067 1.00 3.45 H new ATOM 0 HZ1 LYS A 40 -21.317 2.118 -2.006 1.00 3.90 H new ATOM 0 HZ2 LYS A 40 -20.329 1.116 -1.057 1.00 3.90 H new ATOM 0 HZ3 LYS A 40 -22.018 0.968 -0.972 1.00 3.90 H new ATOM 92 N GLU A 41 -15.217 1.883 2.305 1.00 0.35 N ATOM 93 CA GLU A 41 -13.979 2.573 2.558 1.00 0.17 C ATOM 94 C GLU A 41 -13.403 3.126 1.298 1.00 0.12 C ATOM 95 O GLU A 41 -13.710 2.661 0.233 1.00 0.15 O ATOM 96 CB GLU A 41 -12.999 1.568 3.132 1.00 0.50 C ATOM 97 CG GLU A 41 -13.419 1.018 4.469 1.00 0.23 C ATOM 98 CD GLU A 41 -13.457 2.095 5.518 1.00 0.75 C ATOM 99 OE1 GLU A 41 -12.380 2.483 6.025 1.00 1.27 O ATOM 100 OE2 GLU A 41 -14.540 2.609 5.816 1.00 1.13 O ATOM 0 H GLU A 41 -15.091 0.887 2.122 1.00 0.35 H new ATOM 0 HA GLU A 41 -14.164 3.399 3.245 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -12.882 0.743 2.429 1.00 0.50 H new ATOM 0 HB3 GLU A 41 -12.022 2.041 3.233 1.00 0.50 H new ATOM 0 HG2 GLU A 41 -14.403 0.558 4.382 1.00 0.23 H new ATOM 0 HG3 GLU A 41 -12.727 0.234 4.775 1.00 0.23 H new ATOM 107 N THR A 42 -12.585 4.121 1.403 1.00 0.11 N ATOM 108 CA THR A 42 -11.902 4.577 0.246 1.00 0.10 C ATOM 109 C THR A 42 -10.410 4.276 0.448 1.00 0.09 C ATOM 110 O THR A 42 -9.884 4.360 1.574 1.00 0.11 O ATOM 111 CB THR A 42 -12.114 6.064 -0.012 1.00 0.13 C ATOM 112 OG1 THR A 42 -13.369 6.469 0.572 1.00 0.15 O ATOM 113 CG2 THR A 42 -12.213 6.292 -1.516 1.00 0.14 C ATOM 0 H THR A 42 -12.378 4.625 2.265 1.00 0.11 H new ATOM 0 HA THR A 42 -12.297 4.061 -0.629 1.00 0.10 H new ATOM 0 HB THR A 42 -11.287 6.630 0.416 1.00 0.13 H new ATOM 0 HG1 THR A 42 -13.511 7.425 0.411 1.00 0.15 H new ATOM 0 HG21 THR A 42 -12.365 7.353 -1.714 1.00 0.14 H new ATOM 0 HG22 THR A 42 -11.292 5.962 -1.996 1.00 0.14 H new ATOM 0 HG23 THR A 42 -13.053 5.724 -1.915 1.00 0.14 H new ATOM 121 N CYS A 43 -9.770 3.910 -0.614 1.00 0.07 N ATOM 122 CA CYS A 43 -8.409 3.447 -0.615 1.00 0.06 C ATOM 123 C CYS A 43 -7.407 4.591 -0.710 1.00 0.09 C ATOM 124 O CYS A 43 -7.724 5.669 -1.188 1.00 0.11 O ATOM 125 CB CYS A 43 -8.293 2.458 -1.774 1.00 0.06 C ATOM 126 SG CYS A 43 -6.693 2.215 -2.530 1.00 0.08 S ATOM 0 H CYS A 43 -10.191 3.923 -1.543 1.00 0.07 H new ATOM 0 HA CYS A 43 -8.164 2.958 0.328 1.00 0.06 H new ATOM 0 HB2 CYS A 43 -8.642 1.489 -1.419 1.00 0.06 H new ATOM 0 HB3 CYS A 43 -8.983 2.779 -2.554 1.00 0.06 H new ATOM 131 N ALA A 44 -6.208 4.353 -0.206 1.00 0.09 N ATOM 132 CA ALA A 44 -5.136 5.332 -0.253 1.00 0.12 C ATOM 133 C ALA A 44 -4.083 4.980 -1.300 1.00 0.12 C ATOM 134 O ALA A 44 -3.328 5.824 -1.727 1.00 0.14 O ATOM 135 CB ALA A 44 -4.480 5.436 1.096 1.00 0.13 C ATOM 0 H ALA A 44 -5.951 3.476 0.247 1.00 0.09 H new ATOM 0 HA ALA A 44 -5.580 6.288 -0.531 1.00 0.12 H new ATOM 0 HB1 ALA A 44 -3.677 6.172 1.054 1.00 0.13 H new ATOM 0 HB2 ALA A 44 -5.218 5.746 1.836 1.00 0.13 H new ATOM 0 HB3 ALA A 44 -4.069 4.466 1.377 1.00 0.13 H new ATOM 141 N ALA A 45 -4.061 3.728 -1.731 1.00 0.11 N ATOM 142 CA ALA A 45 -3.036 3.273 -2.648 1.00 0.12 C ATOM 143 C ALA A 45 -3.446 3.509 -4.096 1.00 0.13 C ATOM 144 O ALA A 45 -2.609 3.697 -4.976 1.00 0.14 O ATOM 145 CB ALA A 45 -2.724 1.812 -2.382 1.00 0.12 C ATOM 0 H ALA A 45 -4.739 3.015 -1.461 1.00 0.11 H new ATOM 0 HA ALA A 45 -2.129 3.854 -2.481 1.00 0.12 H new ATOM 0 HB1 ALA A 45 -1.953 1.473 -3.073 1.00 0.12 H new ATOM 0 HB2 ALA A 45 -2.369 1.696 -1.358 1.00 0.12 H new ATOM 0 HB3 ALA A 45 -3.625 1.216 -2.523 1.00 0.12 H new ATOM 151 N CYS A 46 -4.736 3.499 -4.332 1.00 0.12 N ATOM 152 CA CYS A 46 -5.274 3.758 -5.648 1.00 0.13 C ATOM 153 C CYS A 46 -6.489 4.706 -5.596 1.00 0.13 C ATOM 154 O CYS A 46 -7.005 5.140 -6.620 1.00 0.14 O ATOM 155 CB CYS A 46 -5.519 2.433 -6.429 1.00 0.12 C ATOM 156 SG CYS A 46 -7.049 1.505 -6.101 1.00 0.11 S ATOM 0 H CYS A 46 -5.442 3.312 -3.620 1.00 0.12 H new ATOM 0 HA CYS A 46 -4.526 4.300 -6.226 1.00 0.13 H new ATOM 0 HB2 CYS A 46 -5.494 2.666 -7.494 1.00 0.12 H new ATOM 0 HB3 CYS A 46 -4.678 1.769 -6.228 1.00 0.12 H new ATOM 161 N GLN A 47 -6.884 5.063 -4.353 1.00 0.12 N ATOM 162 CA GLN A 47 -7.989 5.996 -4.065 1.00 0.13 C ATOM 163 C GLN A 47 -9.319 5.644 -4.718 1.00 0.12 C ATOM 164 O GLN A 47 -10.039 6.496 -5.205 1.00 0.14 O ATOM 165 CB GLN A 47 -7.576 7.435 -4.295 1.00 0.15 C ATOM 166 CG GLN A 47 -6.507 7.865 -3.313 1.00 0.15 C ATOM 167 CD GLN A 47 -5.943 9.237 -3.568 1.00 0.19 C ATOM 168 OE1 GLN A 47 -5.854 9.693 -4.705 1.00 1.04 O ATOM 169 NE2 GLN A 47 -5.576 9.913 -2.511 1.00 1.17 N ATOM 0 H GLN A 47 -6.435 4.703 -3.511 1.00 0.12 H new ATOM 0 HA GLN A 47 -8.193 5.878 -3.001 1.00 0.13 H new ATOM 0 HB2 GLN A 47 -7.205 7.551 -5.313 1.00 0.15 H new ATOM 0 HB3 GLN A 47 -8.445 8.085 -4.197 1.00 0.15 H new ATOM 0 HG2 GLN A 47 -6.924 7.838 -2.306 1.00 0.15 H new ATOM 0 HG3 GLN A 47 -5.693 7.140 -3.340 1.00 0.15 H new ATOM 0 HE21 GLN A 47 -5.666 9.498 -1.584 1.00 1.17 H new ATOM 0 HE22 GLN A 47 -5.199 10.855 -2.614 1.00 1.17 H new ATOM 178 N LYS A 48 -9.634 4.390 -4.684 1.00 0.11 N ATOM 179 CA LYS A 48 -10.866 3.856 -5.218 1.00 0.11 C ATOM 180 C LYS A 48 -11.593 3.234 -4.063 1.00 0.09 C ATOM 181 O LYS A 48 -10.952 2.871 -3.074 1.00 0.07 O ATOM 182 CB LYS A 48 -10.564 2.811 -6.286 1.00 0.12 C ATOM 183 CG LYS A 48 -9.691 3.333 -7.432 1.00 0.14 C ATOM 184 CD LYS A 48 -10.314 4.513 -8.188 1.00 0.17 C ATOM 185 CE LYS A 48 -11.546 4.113 -8.981 1.00 0.21 C ATOM 186 NZ LYS A 48 -11.233 3.139 -10.049 1.00 1.20 N ATOM 0 H LYS A 48 -9.029 3.679 -4.273 1.00 0.11 H new ATOM 0 HA LYS A 48 -11.469 4.634 -5.686 1.00 0.11 H new ATOM 0 HB2 LYS A 48 -10.065 1.962 -5.819 1.00 0.12 H new ATOM 0 HB3 LYS A 48 -11.504 2.442 -6.697 1.00 0.12 H new ATOM 0 HG2 LYS A 48 -8.724 3.638 -7.032 1.00 0.14 H new ATOM 0 HG3 LYS A 48 -9.503 2.521 -8.134 1.00 0.14 H new ATOM 0 HD2 LYS A 48 -10.582 5.295 -7.477 1.00 0.17 H new ATOM 0 HD3 LYS A 48 -9.573 4.938 -8.865 1.00 0.17 H new ATOM 0 HE2 LYS A 48 -12.286 3.684 -8.306 1.00 0.21 H new ATOM 0 HE3 LYS A 48 -11.995 5.002 -9.423 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 -12.043 3.062 -10.697 1.00 1.20 H new ATOM 0 HZ2 LYS A 48 -10.396 3.460 -10.577 1.00 1.20 H new ATOM 0 HZ3 LYS A 48 -11.039 2.209 -9.625 1.00 1.20 H new ATOM 200 N THR A 49 -12.887 3.185 -4.126 1.00 0.11 N ATOM 201 CA THR A 49 -13.673 2.665 -3.049 1.00 0.10 C ATOM 202 C THR A 49 -13.421 1.159 -2.848 1.00 0.09 C ATOM 203 O THR A 49 -13.538 0.360 -3.788 1.00 0.10 O ATOM 204 CB THR A 49 -15.142 2.921 -3.309 1.00 0.13 C ATOM 205 OG1 THR A 49 -15.283 4.172 -4.024 1.00 0.14 O ATOM 206 CG2 THR A 49 -15.872 3.037 -1.989 1.00 0.14 C ATOM 0 H THR A 49 -13.430 3.505 -4.928 1.00 0.11 H new ATOM 0 HA THR A 49 -13.376 3.178 -2.134 1.00 0.10 H new ATOM 0 HB THR A 49 -15.557 2.101 -3.894 1.00 0.13 H new ATOM 0 HG1 THR A 49 -16.232 4.344 -4.198 1.00 0.14 H new ATOM 0 HG21 THR A 49 -16.930 3.221 -2.173 1.00 0.14 H new ATOM 0 HG22 THR A 49 -15.758 2.110 -1.427 1.00 0.14 H new ATOM 0 HG23 THR A 49 -15.455 3.863 -1.414 1.00 0.14 H new ATOM 214 N VAL A 50 -13.050 0.807 -1.640 1.00 0.07 N ATOM 215 CA VAL A 50 -12.738 -0.547 -1.268 1.00 0.07 C ATOM 216 C VAL A 50 -13.959 -1.152 -0.636 1.00 0.08 C ATOM 217 O VAL A 50 -14.611 -0.521 0.213 1.00 0.08 O ATOM 218 CB VAL A 50 -11.606 -0.638 -0.211 1.00 0.06 C ATOM 219 CG1 VAL A 50 -10.752 -1.832 -0.498 1.00 0.06 C ATOM 220 CG2 VAL A 50 -10.778 0.611 -0.160 1.00 0.06 C ATOM 0 H VAL A 50 -12.955 1.472 -0.872 1.00 0.07 H new ATOM 0 HA VAL A 50 -12.416 -1.062 -2.173 1.00 0.07 H new ATOM 0 HB VAL A 50 -12.066 -0.747 0.771 1.00 0.06 H new ATOM 0 HG11 VAL A 50 -9.956 -1.897 0.244 1.00 0.06 H new ATOM 0 HG12 VAL A 50 -11.362 -2.734 -0.456 1.00 0.06 H new ATOM 0 HG13 VAL A 50 -10.314 -1.736 -1.492 1.00 0.06 H new ATOM 0 HG21 VAL A 50 -9.999 0.500 0.594 1.00 0.06 H new ATOM 0 HG22 VAL A 50 -10.319 0.783 -1.134 1.00 0.06 H new ATOM 0 HG23 VAL A 50 -11.413 1.459 0.097 1.00 0.06 H new ATOM 230 N TYR A 51 -14.270 -2.336 -1.023 1.00 0.09 N ATOM 231 CA TYR A 51 -15.407 -3.025 -0.491 1.00 0.11 C ATOM 232 C TYR A 51 -14.888 -4.082 0.478 1.00 0.10 C ATOM 233 O TYR A 51 -13.715 -4.410 0.396 1.00 0.10 O ATOM 234 CB TYR A 51 -16.201 -3.627 -1.652 1.00 0.14 C ATOM 235 CG TYR A 51 -16.517 -2.615 -2.725 1.00 0.23 C ATOM 236 CD1 TYR A 51 -17.122 -1.430 -2.396 1.00 0.21 C ATOM 237 CD2 TYR A 51 -16.196 -2.843 -4.055 1.00 0.43 C ATOM 238 CE1 TYR A 51 -17.409 -0.483 -3.344 1.00 0.32 C ATOM 239 CE2 TYR A 51 -16.482 -1.900 -5.021 1.00 0.57 C ATOM 240 CZ TYR A 51 -17.088 -0.719 -4.654 1.00 0.50 C ATOM 241 OH TYR A 51 -17.379 0.234 -5.607 1.00 0.64 O ATOM 0 H TYR A 51 -13.745 -2.864 -1.721 1.00 0.09 H new ATOM 0 HA TYR A 51 -16.081 -2.362 0.051 1.00 0.11 H new ATOM 0 HB2 TYR A 51 -15.633 -4.448 -2.089 1.00 0.14 H new ATOM 0 HB3 TYR A 51 -17.131 -4.049 -1.271 1.00 0.14 H new ATOM 0 HD1 TYR A 51 -17.379 -1.238 -1.365 1.00 0.21 H new ATOM 0 HD2 TYR A 51 -15.717 -3.769 -4.338 1.00 0.43 H new ATOM 0 HE1 TYR A 51 -17.885 0.444 -3.060 1.00 0.32 H new ATOM 0 HE2 TYR A 51 -16.233 -2.086 -6.055 1.00 0.57 H new ATOM 0 HH TYR A 51 -17.088 -0.084 -6.487 1.00 0.64 H new ATOM 251 N PRO A 52 -15.722 -4.638 1.392 1.00 0.11 N ATOM 252 CA PRO A 52 -15.268 -5.559 2.467 1.00 0.12 C ATOM 253 C PRO A 52 -14.316 -6.685 2.019 1.00 0.15 C ATOM 254 O PRO A 52 -13.370 -7.026 2.744 1.00 0.16 O ATOM 255 CB PRO A 52 -16.562 -6.157 2.975 1.00 0.14 C ATOM 256 CG PRO A 52 -17.574 -5.093 2.760 1.00 0.14 C ATOM 257 CD PRO A 52 -17.180 -4.391 1.491 1.00 0.13 C ATOM 0 HA PRO A 52 -14.680 -5.010 3.202 1.00 0.12 H new ATOM 0 HB2 PRO A 52 -16.820 -7.065 2.431 1.00 0.14 H new ATOM 0 HB3 PRO A 52 -16.488 -6.427 4.028 1.00 0.14 H new ATOM 0 HG2 PRO A 52 -18.574 -5.518 2.675 1.00 0.14 H new ATOM 0 HG3 PRO A 52 -17.593 -4.398 3.600 1.00 0.14 H new ATOM 0 HD2 PRO A 52 -17.714 -4.792 0.629 1.00 0.13 H new ATOM 0 HD3 PRO A 52 -17.404 -3.325 1.537 1.00 0.13 H new ATOM 265 N MET A 53 -14.536 -7.227 0.840 1.00 0.17 N ATOM 266 CA MET A 53 -13.706 -8.312 0.338 1.00 0.21 C ATOM 267 C MET A 53 -12.297 -7.825 -0.027 1.00 0.17 C ATOM 268 O MET A 53 -11.305 -8.528 0.173 1.00 0.19 O ATOM 269 CB MET A 53 -14.358 -8.953 -0.873 1.00 0.27 C ATOM 270 CG MET A 53 -13.614 -10.165 -1.390 1.00 0.35 C ATOM 271 SD MET A 53 -14.343 -10.847 -2.890 1.00 0.46 S ATOM 272 CE MET A 53 -13.258 -12.248 -3.142 1.00 1.58 C ATOM 0 H MET A 53 -15.282 -6.937 0.208 1.00 0.17 H new ATOM 0 HA MET A 53 -13.612 -9.050 1.134 1.00 0.21 H new ATOM 0 HB2 MET A 53 -15.376 -9.244 -0.616 1.00 0.27 H new ATOM 0 HB3 MET A 53 -14.430 -8.214 -1.671 1.00 0.27 H new ATOM 0 HG2 MET A 53 -12.577 -9.892 -1.587 1.00 0.35 H new ATOM 0 HG3 MET A 53 -13.600 -10.933 -0.617 1.00 0.35 H new ATOM 0 HE1 MET A 53 -13.565 -12.790 -4.036 1.00 1.58 H new ATOM 0 HE2 MET A 53 -12.233 -11.897 -3.265 1.00 1.58 H new ATOM 0 HE3 MET A 53 -13.314 -12.911 -2.279 1.00 1.58 H new ATOM 282 N GLU A 54 -12.207 -6.610 -0.513 1.00 0.14 N ATOM 283 CA GLU A 54 -10.950 -6.081 -0.984 1.00 0.12 C ATOM 284 C GLU A 54 -10.304 -5.224 0.085 1.00 0.09 C ATOM 285 O GLU A 54 -9.098 -5.003 0.049 1.00 0.08 O ATOM 286 CB GLU A 54 -11.199 -5.245 -2.225 1.00 0.12 C ATOM 287 CG GLU A 54 -11.918 -6.009 -3.308 1.00 0.16 C ATOM 288 CD GLU A 54 -12.258 -5.163 -4.498 1.00 0.19 C ATOM 289 OE1 GLU A 54 -13.355 -4.563 -4.527 1.00 0.26 O ATOM 290 OE2 GLU A 54 -11.452 -5.108 -5.447 1.00 0.19 O ATOM 0 H GLU A 54 -12.994 -5.966 -0.593 1.00 0.14 H new ATOM 0 HA GLU A 54 -10.279 -6.907 -1.220 1.00 0.12 H new ATOM 0 HB2 GLU A 54 -11.786 -4.367 -1.955 1.00 0.12 H new ATOM 0 HB3 GLU A 54 -10.246 -4.884 -2.612 1.00 0.12 H new ATOM 0 HG2 GLU A 54 -11.296 -6.844 -3.629 1.00 0.16 H new ATOM 0 HG3 GLU A 54 -12.834 -6.433 -2.898 1.00 0.16 H new ATOM 297 N ARG A 55 -11.110 -4.795 1.049 1.00 0.09 N ATOM 298 CA ARG A 55 -10.669 -3.932 2.130 1.00 0.08 C ATOM 299 C ARG A 55 -9.710 -4.622 3.063 1.00 0.08 C ATOM 300 O ARG A 55 -10.073 -5.483 3.865 1.00 0.10 O ATOM 301 CB ARG A 55 -11.851 -3.286 2.872 1.00 0.10 C ATOM 302 CG ARG A 55 -11.503 -2.657 4.206 1.00 0.16 C ATOM 303 CD ARG A 55 -12.753 -2.378 5.031 1.00 0.29 C ATOM 304 NE ARG A 55 -12.445 -1.723 6.312 1.00 0.45 N ATOM 305 CZ ARG A 55 -13.096 -1.944 7.473 1.00 0.81 C ATOM 306 NH1 ARG A 55 -14.048 -2.883 7.555 1.00 1.29 N ATOM 307 NH2 ARG A 55 -12.778 -1.239 8.552 1.00 0.89 N ATOM 0 H ARG A 55 -12.099 -5.041 1.100 1.00 0.09 H new ATOM 0 HA ARG A 55 -10.109 -3.118 1.670 1.00 0.08 H new ATOM 0 HB2 ARG A 55 -12.289 -2.522 2.230 1.00 0.10 H new ATOM 0 HB3 ARG A 55 -12.617 -4.044 3.034 1.00 0.10 H new ATOM 0 HG2 ARG A 55 -10.839 -3.320 4.761 1.00 0.16 H new ATOM 0 HG3 ARG A 55 -10.959 -1.727 4.041 1.00 0.16 H new ATOM 0 HD2 ARG A 55 -13.431 -1.746 4.457 1.00 0.29 H new ATOM 0 HD3 ARG A 55 -13.276 -3.315 5.222 1.00 0.29 H new ATOM 0 HE ARG A 55 -11.679 -1.049 6.323 1.00 0.45 H new ATOM 0 HH11 ARG A 55 -14.287 -3.440 6.734 1.00 1.29 H new ATOM 0 HH12 ARG A 55 -14.533 -3.041 8.438 1.00 1.29 H new ATOM 0 HH21 ARG A 55 -12.044 -0.533 8.502 1.00 0.89 H new ATOM 0 HH22 ARG A 55 -13.268 -1.403 9.431 1.00 0.89 H new ATOM 321 N LEU A 56 -8.510 -4.271 2.876 1.00 0.08 N ATOM 322 CA LEU A 56 -7.398 -4.685 3.635 1.00 0.09 C ATOM 323 C LEU A 56 -6.840 -3.447 4.308 1.00 0.10 C ATOM 324 O LEU A 56 -7.120 -2.320 3.884 1.00 0.11 O ATOM 325 CB LEU A 56 -6.373 -5.349 2.668 1.00 0.11 C ATOM 326 CG LEU A 56 -4.975 -5.726 3.198 1.00 0.10 C ATOM 327 CD1 LEU A 56 -4.392 -6.785 2.319 1.00 0.11 C ATOM 328 CD2 LEU A 56 -4.040 -4.529 3.127 1.00 0.14 C ATOM 0 H LEU A 56 -8.250 -3.632 2.125 1.00 0.08 H new ATOM 0 HA LEU A 56 -7.651 -5.418 4.401 1.00 0.09 H new ATOM 0 HB2 LEU A 56 -6.832 -6.257 2.277 1.00 0.11 H new ATOM 0 HB3 LEU A 56 -6.233 -4.674 1.824 1.00 0.11 H new ATOM 0 HG LEU A 56 -5.078 -6.066 4.228 1.00 0.10 H new ATOM 0 HD11 LEU A 56 -3.403 -7.058 2.686 1.00 0.11 H new ATOM 0 HD12 LEU A 56 -5.038 -7.663 2.329 1.00 0.11 H new ATOM 0 HD13 LEU A 56 -4.309 -6.407 1.300 1.00 0.11 H new ATOM 0 HD21 LEU A 56 -3.057 -4.812 3.505 1.00 0.14 H new ATOM 0 HD22 LEU A 56 -3.950 -4.199 2.092 1.00 0.14 H new ATOM 0 HD23 LEU A 56 -4.442 -3.717 3.733 1.00 0.14 H new ATOM 340 N VAL A 57 -6.101 -3.633 5.341 1.00 0.12 N ATOM 341 CA VAL A 57 -5.479 -2.542 5.999 1.00 0.14 C ATOM 342 C VAL A 57 -3.985 -2.807 6.160 1.00 0.16 C ATOM 343 O VAL A 57 -3.581 -3.834 6.720 1.00 0.21 O ATOM 344 CB VAL A 57 -6.173 -2.216 7.360 1.00 0.17 C ATOM 345 CG1 VAL A 57 -6.272 -3.435 8.263 1.00 0.17 C ATOM 346 CG2 VAL A 57 -5.468 -1.084 8.067 1.00 0.22 C ATOM 0 H VAL A 57 -5.910 -4.546 5.754 1.00 0.12 H new ATOM 0 HA VAL A 57 -5.595 -1.653 5.379 1.00 0.14 H new ATOM 0 HB VAL A 57 -7.191 -1.902 7.130 1.00 0.17 H new ATOM 0 HG11 VAL A 57 -6.762 -3.157 9.197 1.00 0.17 H new ATOM 0 HG12 VAL A 57 -6.854 -4.211 7.765 1.00 0.17 H new ATOM 0 HG13 VAL A 57 -5.272 -3.812 8.476 1.00 0.17 H new ATOM 0 HG21 VAL A 57 -5.970 -0.876 9.012 1.00 0.22 H new ATOM 0 HG22 VAL A 57 -4.433 -1.364 8.260 1.00 0.22 H new ATOM 0 HG23 VAL A 57 -5.491 -0.193 7.440 1.00 0.22 H new ATOM 356 N ALA A 58 -3.178 -1.944 5.595 1.00 0.15 N ATOM 357 CA ALA A 58 -1.741 -2.045 5.758 1.00 0.18 C ATOM 358 C ALA A 58 -1.293 -0.716 6.287 1.00 0.22 C ATOM 359 O ALA A 58 -1.719 0.299 5.750 1.00 0.23 O ATOM 360 CB ALA A 58 -1.061 -2.330 4.392 1.00 0.19 C ATOM 0 H ALA A 58 -3.487 -1.162 5.017 1.00 0.15 H new ATOM 0 HA ALA A 58 -1.473 -2.859 6.432 1.00 0.18 H new ATOM 0 HB1 ALA A 58 0.018 -2.403 4.531 1.00 0.19 H new ATOM 0 HB2 ALA A 58 -1.439 -3.268 3.986 1.00 0.19 H new ATOM 0 HB3 ALA A 58 -1.283 -1.519 3.699 1.00 0.19 H new ATOM 366 N ASP A 59 -0.413 -0.701 7.306 1.00 0.29 N ATOM 367 CA ASP A 59 0.052 0.579 7.925 1.00 0.37 C ATOM 368 C ASP A 59 -1.103 1.520 8.270 1.00 0.53 C ATOM 369 O ASP A 59 -1.003 2.752 8.135 1.00 1.24 O ATOM 370 CB ASP A 59 1.100 1.294 7.077 1.00 0.33 C ATOM 371 CG ASP A 59 2.126 0.367 6.404 1.00 0.29 C ATOM 372 OD1 ASP A 59 1.782 -0.384 5.492 1.00 0.36 O ATOM 373 OD2 ASP A 59 3.330 0.386 6.828 1.00 0.40 O ATOM 0 H ASP A 59 -0.008 -1.540 7.721 1.00 0.29 H new ATOM 0 HA ASP A 59 0.530 0.292 8.862 1.00 0.37 H new ATOM 0 HB2 ASP A 59 0.591 1.871 6.305 1.00 0.33 H new ATOM 0 HB3 ASP A 59 1.633 2.006 7.707 1.00 0.33 H new ATOM 378 N LYS A 60 -2.191 0.907 8.707 1.00 0.32 N ATOM 379 CA LYS A 60 -3.466 1.527 9.032 1.00 0.28 C ATOM 380 C LYS A 60 -4.141 2.256 7.830 1.00 0.21 C ATOM 381 O LYS A 60 -5.201 2.880 7.952 1.00 0.23 O ATOM 382 CB LYS A 60 -3.385 2.367 10.295 1.00 0.32 C ATOM 383 CG LYS A 60 -4.731 2.808 10.819 1.00 0.35 C ATOM 384 CD LYS A 60 -4.613 3.441 12.163 1.00 0.59 C ATOM 385 CE LYS A 60 -5.957 3.959 12.639 1.00 1.67 C ATOM 386 NZ LYS A 60 -7.009 2.911 12.600 1.00 2.54 N ATOM 0 H LYS A 60 -2.208 -0.102 8.854 1.00 0.32 H new ATOM 0 HA LYS A 60 -4.150 0.709 9.256 1.00 0.28 H new ATOM 0 HB2 LYS A 60 -2.874 1.795 11.069 1.00 0.32 H new ATOM 0 HB3 LYS A 60 -2.776 3.249 10.096 1.00 0.32 H new ATOM 0 HG2 LYS A 60 -5.181 3.514 10.121 1.00 0.35 H new ATOM 0 HG3 LYS A 60 -5.399 1.949 10.878 1.00 0.35 H new ATOM 0 HD2 LYS A 60 -4.225 2.716 12.878 1.00 0.59 H new ATOM 0 HD3 LYS A 60 -3.897 4.262 12.121 1.00 0.59 H new ATOM 0 HE2 LYS A 60 -5.859 4.335 13.657 1.00 1.67 H new ATOM 0 HE3 LYS A 60 -6.261 4.800 12.016 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 -7.842 3.235 13.131 1.00 2.54 H new ATOM 0 HZ2 LYS A 60 -7.279 2.726 11.613 1.00 2.54 H new ATOM 0 HZ3 LYS A 60 -6.644 2.037 13.029 1.00 2.54 H new ATOM 400 N LEU A 61 -3.547 2.158 6.680 1.00 0.17 N ATOM 401 CA LEU A 61 -4.145 2.680 5.486 1.00 0.13 C ATOM 402 C LEU A 61 -5.111 1.626 4.947 1.00 0.10 C ATOM 403 O LEU A 61 -4.746 0.447 4.817 1.00 0.10 O ATOM 404 CB LEU A 61 -3.070 2.992 4.477 1.00 0.16 C ATOM 405 CG LEU A 61 -1.941 3.911 4.962 1.00 0.19 C ATOM 406 CD1 LEU A 61 -0.870 4.024 3.905 1.00 0.19 C ATOM 407 CD2 LEU A 61 -2.476 5.289 5.324 1.00 0.23 C ATOM 0 H LEU A 61 -2.638 1.716 6.541 1.00 0.17 H new ATOM 0 HA LEU A 61 -4.688 3.602 5.692 1.00 0.13 H new ATOM 0 HB2 LEU A 61 -2.629 2.053 4.143 1.00 0.16 H new ATOM 0 HB3 LEU A 61 -3.538 3.452 3.607 1.00 0.16 H new ATOM 0 HG LEU A 61 -1.506 3.471 5.859 1.00 0.19 H new ATOM 0 HD11 LEU A 61 -0.075 4.679 4.261 1.00 0.19 H new ATOM 0 HD12 LEU A 61 -0.460 3.036 3.695 1.00 0.19 H new ATOM 0 HD13 LEU A 61 -1.301 4.439 2.994 1.00 0.19 H new ATOM 0 HD21 LEU A 61 -1.655 5.920 5.665 1.00 0.23 H new ATOM 0 HD22 LEU A 61 -2.941 5.740 4.448 1.00 0.23 H new ATOM 0 HD23 LEU A 61 -3.215 5.195 6.119 1.00 0.23 H new ATOM 419 N ILE A 62 -6.326 2.024 4.647 1.00 0.09 N ATOM 420 CA ILE A 62 -7.343 1.074 4.252 1.00 0.07 C ATOM 421 C ILE A 62 -7.421 1.035 2.733 1.00 0.06 C ATOM 422 O ILE A 62 -7.702 2.057 2.089 1.00 0.06 O ATOM 423 CB ILE A 62 -8.742 1.474 4.798 1.00 0.08 C ATOM 424 CG1 ILE A 62 -8.702 1.860 6.285 1.00 0.20 C ATOM 425 CG2 ILE A 62 -9.684 0.327 4.620 1.00 0.11 C ATOM 426 CD1 ILE A 62 -8.347 0.735 7.231 1.00 0.46 C ATOM 0 H ILE A 62 -6.635 2.996 4.668 1.00 0.09 H new ATOM 0 HA ILE A 62 -7.071 0.101 4.662 1.00 0.07 H new ATOM 0 HB ILE A 62 -9.076 2.347 4.237 1.00 0.08 H new ATOM 0 HG12 ILE A 62 -7.979 2.665 6.416 1.00 0.20 H new ATOM 0 HG13 ILE A 62 -9.677 2.257 6.567 1.00 0.20 H new ATOM 0 HG21 ILE A 62 -10.668 0.601 5.001 1.00 0.11 H new ATOM 0 HG22 ILE A 62 -9.761 0.080 3.561 1.00 0.11 H new ATOM 0 HG23 ILE A 62 -9.311 -0.538 5.168 1.00 0.11 H new ATOM 0 HD11 ILE A 62 -8.345 1.108 8.255 1.00 0.46 H new ATOM 0 HD12 ILE A 62 -9.082 -0.065 7.137 1.00 0.46 H new ATOM 0 HD13 ILE A 62 -7.358 0.350 6.983 1.00 0.46 H new ATOM 438 N PHE A 63 -7.140 -0.116 2.167 1.00 0.05 N ATOM 439 CA PHE A 63 -7.114 -0.288 0.741 1.00 0.05 C ATOM 440 C PHE A 63 -7.251 -1.691 0.232 1.00 0.04 C ATOM 441 O PHE A 63 -7.297 -2.636 0.985 1.00 0.05 O ATOM 442 CB PHE A 63 -5.966 0.444 0.086 1.00 0.07 C ATOM 443 CG PHE A 63 -4.631 0.252 0.717 1.00 0.09 C ATOM 444 CD1 PHE A 63 -4.109 -0.990 1.064 1.00 0.11 C ATOM 445 CD2 PHE A 63 -3.901 1.358 0.980 1.00 0.10 C ATOM 446 CE1 PHE A 63 -2.871 -1.065 1.659 1.00 0.14 C ATOM 447 CE2 PHE A 63 -2.696 1.280 1.556 1.00 0.12 C ATOM 448 CZ PHE A 63 -2.160 0.086 1.902 1.00 0.13 C ATOM 0 H PHE A 63 -6.922 -0.963 2.691 1.00 0.05 H new ATOM 0 HA PHE A 63 -8.044 0.187 0.427 1.00 0.05 H new ATOM 0 HB2 PHE A 63 -5.904 0.127 -0.955 1.00 0.07 H new ATOM 0 HB3 PHE A 63 -6.195 1.510 0.081 1.00 0.07 H new ATOM 0 HD1 PHE A 63 -4.672 -1.890 0.867 1.00 0.11 H new ATOM 0 HD2 PHE A 63 -4.299 2.327 0.719 1.00 0.10 H new ATOM 0 HE1 PHE A 63 -2.459 -2.025 1.934 1.00 0.14 H new ATOM 0 HE2 PHE A 63 -2.141 2.186 1.748 1.00 0.12 H new ATOM 0 HZ PHE A 63 -1.185 0.038 2.364 1.00 0.13 H new ATOM 458 N HIS A 64 -7.373 -1.778 -1.072 1.00 0.04 N ATOM 459 CA HIS A 64 -7.413 -3.023 -1.802 1.00 0.04 C ATOM 460 C HIS A 64 -6.063 -3.685 -1.651 1.00 0.06 C ATOM 461 O HIS A 64 -5.012 -3.040 -1.730 1.00 0.08 O ATOM 462 CB HIS A 64 -7.625 -2.741 -3.306 1.00 0.05 C ATOM 463 CG HIS A 64 -8.756 -1.835 -3.634 1.00 0.05 C ATOM 464 ND1 HIS A 64 -8.623 -0.456 -3.603 1.00 0.06 N ATOM 465 CD2 HIS A 64 -10.020 -2.142 -3.976 1.00 0.06 C ATOM 466 CE1 HIS A 64 -9.808 0.026 -3.934 1.00 0.06 C ATOM 467 NE2 HIS A 64 -10.689 -0.959 -4.167 1.00 0.07 N ATOM 0 H HIS A 64 -7.450 -0.957 -1.673 1.00 0.04 H new ATOM 0 HA HIS A 64 -8.221 -3.649 -1.423 1.00 0.04 H new ATOM 0 HB2 HIS A 64 -6.709 -2.310 -3.710 1.00 0.05 H new ATOM 0 HB3 HIS A 64 -7.783 -3.691 -3.817 1.00 0.05 H new ATOM 0 HD2 HIS A 64 -10.432 -3.135 -4.081 1.00 0.06 H new ATOM 0 HE1 HIS A 64 -10.038 1.079 -4.008 1.00 0.06 H new ATOM 0 HE2 HIS A 64 -11.667 -0.850 -4.434 1.00 0.07 H new ATOM 475 N ASN A 65 -6.110 -4.958 -1.428 1.00 0.06 N ATOM 476 CA ASN A 65 -4.929 -5.780 -1.259 1.00 0.07 C ATOM 477 C ASN A 65 -4.053 -5.777 -2.505 1.00 0.08 C ATOM 478 O ASN A 65 -2.843 -5.827 -2.416 1.00 0.10 O ATOM 479 CB ASN A 65 -5.314 -7.238 -0.905 1.00 0.09 C ATOM 480 CG ASN A 65 -6.134 -7.969 -1.976 1.00 0.15 C ATOM 481 OD1 ASN A 65 -6.936 -7.372 -2.712 1.00 1.06 O ATOM 482 ND2 ASN A 65 -5.940 -9.248 -2.072 1.00 1.07 N ATOM 0 H ASN A 65 -6.984 -5.479 -1.354 1.00 0.06 H new ATOM 0 HA ASN A 65 -4.360 -5.347 -0.436 1.00 0.07 H new ATOM 0 HB2 ASN A 65 -4.401 -7.804 -0.718 1.00 0.09 H new ATOM 0 HB3 ASN A 65 -5.882 -7.233 0.025 1.00 0.09 H new ATOM 0 HD21 ASN A 65 -6.453 -9.791 -2.766 1.00 1.07 H new ATOM 0 HD22 ASN A 65 -5.274 -9.711 -1.453 1.00 1.07 H new ATOM 489 N SER A 66 -4.684 -5.753 -3.632 1.00 0.09 N ATOM 490 CA SER A 66 -4.053 -5.840 -4.911 1.00 0.12 C ATOM 491 C SER A 66 -3.360 -4.554 -5.409 1.00 0.11 C ATOM 492 O SER A 66 -2.530 -4.623 -6.322 1.00 0.15 O ATOM 493 CB SER A 66 -5.112 -6.257 -5.886 1.00 0.16 C ATOM 494 OG SER A 66 -6.248 -5.413 -5.754 1.00 0.17 O ATOM 0 H SER A 66 -5.699 -5.668 -3.691 1.00 0.09 H new ATOM 0 HA SER A 66 -3.238 -6.558 -4.820 1.00 0.12 H new ATOM 0 HB2 SER A 66 -4.724 -6.203 -6.903 1.00 0.16 H new ATOM 0 HB3 SER A 66 -5.396 -7.294 -5.707 1.00 0.16 H new ATOM 0 HG SER A 66 -6.937 -5.689 -6.395 1.00 0.17 H new ATOM 500 N CYS A 67 -3.645 -3.413 -4.821 1.00 0.08 N ATOM 501 CA CYS A 67 -3.265 -2.174 -5.495 1.00 0.09 C ATOM 502 C CYS A 67 -1.948 -1.556 -5.076 1.00 0.10 C ATOM 503 O CYS A 67 -1.345 -0.808 -5.863 1.00 0.20 O ATOM 504 CB CYS A 67 -4.400 -1.147 -5.471 1.00 0.09 C ATOM 505 SG CYS A 67 -5.078 -0.813 -3.853 1.00 0.07 S ATOM 0 H CYS A 67 -4.115 -3.308 -3.922 1.00 0.08 H new ATOM 0 HA CYS A 67 -3.086 -2.489 -6.523 1.00 0.09 H new ATOM 0 HB2 CYS A 67 -4.034 -0.212 -5.895 1.00 0.09 H new ATOM 0 HB3 CYS A 67 -5.202 -1.499 -6.120 1.00 0.09 H new ATOM 510 N PHE A 68 -1.470 -1.837 -3.891 1.00 0.09 N ATOM 511 CA PHE A 68 -0.288 -1.146 -3.465 1.00 0.09 C ATOM 512 C PHE A 68 0.986 -1.820 -3.938 1.00 0.07 C ATOM 513 O PHE A 68 1.383 -2.885 -3.458 1.00 0.07 O ATOM 514 CB PHE A 68 -0.258 -0.826 -1.962 1.00 0.10 C ATOM 515 CG PHE A 68 -0.408 -1.956 -0.992 1.00 0.09 C ATOM 516 CD1 PHE A 68 -1.589 -2.681 -0.869 1.00 0.10 C ATOM 517 CD2 PHE A 68 0.651 -2.269 -0.167 1.00 0.10 C ATOM 518 CE1 PHE A 68 -1.688 -3.700 0.067 1.00 0.11 C ATOM 519 CE2 PHE A 68 0.553 -3.266 0.753 1.00 0.12 C ATOM 520 CZ PHE A 68 -0.609 -3.979 0.875 1.00 0.10 C ATOM 0 H PHE A 68 -1.862 -2.509 -3.231 1.00 0.09 H new ATOM 0 HA PHE A 68 -0.335 -0.177 -3.963 1.00 0.09 H new ATOM 0 HB2 PHE A 68 0.687 -0.327 -1.747 1.00 0.10 H new ATOM 0 HB3 PHE A 68 -1.052 -0.107 -1.759 1.00 0.10 H new ATOM 0 HD1 PHE A 68 -2.431 -2.450 -1.504 1.00 0.10 H new ATOM 0 HD2 PHE A 68 1.573 -1.714 -0.252 1.00 0.10 H new ATOM 0 HE1 PHE A 68 -2.602 -4.268 0.161 1.00 0.11 H new ATOM 0 HE2 PHE A 68 1.395 -3.496 1.389 1.00 0.12 H new ATOM 0 HZ PHE A 68 -0.680 -4.766 1.611 1.00 0.10 H new ATOM 530 N CYS A 69 1.585 -1.205 -4.905 1.00 0.07 N ATOM 531 CA CYS A 69 2.815 -1.613 -5.457 1.00 0.07 C ATOM 532 C CYS A 69 3.752 -0.433 -5.385 1.00 0.06 C ATOM 533 O CYS A 69 3.311 0.671 -5.047 1.00 0.06 O ATOM 534 CB CYS A 69 2.630 -2.073 -6.897 1.00 0.09 C ATOM 535 SG CYS A 69 1.454 -3.440 -7.078 1.00 0.12 S ATOM 0 H CYS A 69 1.204 -0.367 -5.345 1.00 0.07 H new ATOM 0 HA CYS A 69 3.225 -2.457 -4.902 1.00 0.07 H new ATOM 0 HB2 CYS A 69 2.289 -1.230 -7.498 1.00 0.09 H new ATOM 0 HB3 CYS A 69 3.596 -2.380 -7.298 1.00 0.09 H new ATOM 0 HG CYS A 69 1.901 -4.283 -7.961 1.00 0.12 H new ATOM 541 N CYS A 70 5.022 -0.649 -5.657 1.00 0.05 N ATOM 542 CA CYS A 70 5.990 0.423 -5.623 1.00 0.05 C ATOM 543 C CYS A 70 5.639 1.471 -6.655 1.00 0.06 C ATOM 544 O CYS A 70 5.118 1.196 -7.751 1.00 0.08 O ATOM 545 CB CYS A 70 7.406 -0.125 -5.814 1.00 0.05 C ATOM 546 SG CYS A 70 8.776 1.074 -5.919 1.00 0.06 S ATOM 0 H CYS A 70 5.407 -1.560 -5.905 1.00 0.05 H new ATOM 0 HA CYS A 70 5.963 0.902 -4.644 1.00 0.05 H new ATOM 0 HB2 CYS A 70 7.617 -0.803 -4.987 1.00 0.05 H new ATOM 0 HB3 CYS A 70 7.414 -0.723 -6.726 1.00 0.05 H new ATOM 551 N LYS A 71 5.855 2.667 -6.252 1.00 0.09 N ATOM 552 CA LYS A 71 5.552 3.811 -7.041 1.00 0.11 C ATOM 553 C LYS A 71 6.591 3.983 -8.133 1.00 0.12 C ATOM 554 O LYS A 71 6.265 4.334 -9.254 1.00 0.16 O ATOM 555 CB LYS A 71 5.503 5.042 -6.156 1.00 0.14 C ATOM 556 CG LYS A 71 4.882 6.290 -6.784 1.00 0.17 C ATOM 557 CD LYS A 71 3.355 6.329 -6.716 1.00 0.30 C ATOM 558 CE LYS A 71 2.704 5.406 -7.696 1.00 0.55 C ATOM 559 NZ LYS A 71 1.249 5.659 -7.799 1.00 1.33 N ATOM 0 H LYS A 71 6.258 2.888 -5.341 1.00 0.09 H new ATOM 0 HA LYS A 71 4.578 3.675 -7.512 1.00 0.11 H new ATOM 0 HB2 LYS A 71 4.943 4.795 -5.254 1.00 0.14 H new ATOM 0 HB3 LYS A 71 6.519 5.283 -5.844 1.00 0.14 H new ATOM 0 HG2 LYS A 71 5.280 7.172 -6.283 1.00 0.17 H new ATOM 0 HG3 LYS A 71 5.190 6.350 -7.828 1.00 0.17 H new ATOM 0 HD2 LYS A 71 3.035 6.065 -5.708 1.00 0.30 H new ATOM 0 HD3 LYS A 71 3.014 7.347 -6.902 1.00 0.30 H new ATOM 0 HE2 LYS A 71 3.166 5.530 -8.676 1.00 0.55 H new ATOM 0 HE3 LYS A 71 2.874 4.373 -7.392 1.00 0.55 H new ATOM 0 HZ1 LYS A 71 0.830 5.001 -8.487 1.00 1.33 H new ATOM 0 HZ2 LYS A 71 0.805 5.516 -6.869 1.00 1.33 H new ATOM 0 HZ3 LYS A 71 1.088 6.637 -8.113 1.00 1.33 H new ATOM 573 N HIS A 72 7.831 3.672 -7.820 1.00 0.11 N ATOM 574 CA HIS A 72 8.894 3.855 -8.786 1.00 0.12 C ATOM 575 C HIS A 72 8.940 2.662 -9.751 1.00 0.11 C ATOM 576 O HIS A 72 9.253 2.820 -10.929 1.00 0.13 O ATOM 577 CB HIS A 72 10.230 4.067 -8.081 1.00 0.13 C ATOM 578 CG HIS A 72 11.326 4.643 -8.946 1.00 0.18 C ATOM 579 ND1 HIS A 72 11.723 5.945 -8.793 1.00 0.24 N ATOM 580 CD2 HIS A 72 12.114 4.052 -9.876 1.00 0.20 C ATOM 581 CE1 HIS A 72 12.749 6.113 -9.613 1.00 0.27 C ATOM 582 NE2 HIS A 72 13.014 4.998 -10.291 1.00 0.26 N ATOM 0 H HIS A 72 8.126 3.297 -6.918 1.00 0.11 H new ATOM 0 HA HIS A 72 8.693 4.751 -9.373 1.00 0.12 H new ATOM 0 HB2 HIS A 72 10.073 4.730 -7.230 1.00 0.13 H new ATOM 0 HB3 HIS A 72 10.568 3.111 -7.682 1.00 0.13 H new ATOM 0 HD2 HIS A 72 12.046 3.032 -10.223 1.00 0.20 H new ATOM 0 HE1 HIS A 72 13.300 7.036 -9.718 1.00 0.27 H new ATOM 0 HE2 HIS A 72 13.748 4.872 -10.988 1.00 0.26 H new ATOM 590 N CYS A 73 8.612 1.475 -9.259 1.00 0.09 N ATOM 591 CA CYS A 73 8.542 0.323 -10.104 1.00 0.09 C ATOM 592 C CYS A 73 7.256 -0.417 -9.776 1.00 0.08 C ATOM 593 O CYS A 73 6.971 -0.632 -8.620 1.00 0.07 O ATOM 594 CB CYS A 73 9.775 -0.566 -9.887 1.00 0.10 C ATOM 595 SG CYS A 73 9.893 -1.476 -8.315 1.00 0.08 S ATOM 0 H CYS A 73 8.393 1.299 -8.278 1.00 0.09 H new ATOM 0 HA CYS A 73 8.536 0.612 -11.155 1.00 0.09 H new ATOM 0 HB2 CYS A 73 9.812 -1.292 -10.699 1.00 0.10 H new ATOM 0 HB3 CYS A 73 10.662 0.061 -9.979 1.00 0.10 H new ATOM 600 N HIS A 74 6.486 -0.818 -10.746 1.00 0.10 N ATOM 601 CA HIS A 74 5.201 -1.478 -10.452 1.00 0.10 C ATOM 602 C HIS A 74 5.358 -2.959 -10.113 1.00 0.10 C ATOM 603 O HIS A 74 4.821 -3.845 -10.773 1.00 0.13 O ATOM 604 CB HIS A 74 4.126 -1.221 -11.537 1.00 0.13 C ATOM 605 CG HIS A 74 4.498 -1.571 -12.956 1.00 1.21 C ATOM 606 ND1 HIS A 74 4.732 -0.624 -13.919 1.00 1.81 N ATOM 607 CD2 HIS A 74 4.614 -2.764 -13.583 1.00 2.26 C ATOM 608 CE1 HIS A 74 4.970 -1.210 -15.064 1.00 2.72 C ATOM 609 NE2 HIS A 74 4.906 -2.509 -14.891 1.00 3.02 N ATOM 0 H HIS A 74 6.700 -0.712 -11.738 1.00 0.10 H new ATOM 0 HA HIS A 74 4.826 -1.002 -9.546 1.00 0.10 H new ATOM 0 HB2 HIS A 74 3.232 -1.785 -11.271 1.00 0.13 H new ATOM 0 HB3 HIS A 74 3.857 -0.165 -11.506 1.00 0.13 H new ATOM 0 HD2 HIS A 74 4.497 -3.738 -13.132 1.00 2.26 H new ATOM 0 HE1 HIS A 74 5.184 -0.708 -15.996 1.00 2.72 H new ATOM 0 HE2 HIS A 74 5.051 -3.212 -15.615 1.00 3.02 H new ATOM 618 N THR A 75 6.097 -3.208 -9.082 1.00 0.10 N ATOM 619 CA THR A 75 6.322 -4.536 -8.611 1.00 0.10 C ATOM 620 C THR A 75 5.276 -4.860 -7.532 1.00 0.10 C ATOM 621 O THR A 75 5.001 -4.020 -6.645 1.00 0.10 O ATOM 622 CB THR A 75 7.787 -4.713 -8.086 1.00 0.10 C ATOM 623 OG1 THR A 75 8.070 -6.089 -7.838 1.00 0.11 O ATOM 624 CG2 THR A 75 8.047 -3.919 -6.806 1.00 0.10 C ATOM 0 H THR A 75 6.568 -2.486 -8.536 1.00 0.10 H new ATOM 0 HA THR A 75 6.209 -5.242 -9.434 1.00 0.10 H new ATOM 0 HB THR A 75 8.442 -4.329 -8.868 1.00 0.10 H new ATOM 0 HG1 THR A 75 8.990 -6.180 -7.512 1.00 0.11 H new ATOM 0 HG21 THR A 75 9.076 -4.076 -6.483 1.00 0.10 H new ATOM 0 HG22 THR A 75 7.884 -2.858 -6.996 1.00 0.10 H new ATOM 0 HG23 THR A 75 7.367 -4.256 -6.024 1.00 0.10 H new ATOM 632 N LYS A 76 4.653 -6.024 -7.655 1.00 0.11 N ATOM 633 CA LYS A 76 3.604 -6.465 -6.748 1.00 0.11 C ATOM 634 C LYS A 76 4.201 -6.805 -5.377 1.00 0.11 C ATOM 635 O LYS A 76 4.535 -7.950 -5.079 1.00 0.16 O ATOM 636 CB LYS A 76 2.902 -7.683 -7.316 1.00 0.13 C ATOM 637 CG LYS A 76 1.625 -8.056 -6.601 1.00 0.86 C ATOM 638 CD LYS A 76 0.481 -7.116 -6.956 1.00 1.59 C ATOM 639 CE LYS A 76 -0.819 -7.556 -6.296 1.00 2.07 C ATOM 640 NZ LYS A 76 -1.187 -8.948 -6.646 1.00 2.61 N ATOM 0 H LYS A 76 4.864 -6.694 -8.394 1.00 0.11 H new ATOM 0 HA LYS A 76 2.881 -5.658 -6.632 1.00 0.11 H new ATOM 0 HB2 LYS A 76 2.676 -7.500 -8.367 1.00 0.13 H new ATOM 0 HB3 LYS A 76 3.586 -8.531 -7.280 1.00 0.13 H new ATOM 0 HG2 LYS A 76 1.349 -9.078 -6.860 1.00 0.86 H new ATOM 0 HG3 LYS A 76 1.792 -8.034 -5.524 1.00 0.86 H new ATOM 0 HD2 LYS A 76 0.728 -6.103 -6.639 1.00 1.59 H new ATOM 0 HD3 LYS A 76 0.352 -7.089 -8.038 1.00 1.59 H new ATOM 0 HE2 LYS A 76 -0.721 -7.470 -5.214 1.00 2.07 H new ATOM 0 HE3 LYS A 76 -1.622 -6.884 -6.598 1.00 2.07 H new ATOM 0 HZ1 LYS A 76 -2.190 -9.108 -6.424 1.00 2.61 H new ATOM 0 HZ2 LYS A 76 -1.028 -9.104 -7.662 1.00 2.61 H new ATOM 0 HZ3 LYS A 76 -0.601 -9.610 -6.098 1.00 2.61 H new ATOM 654 N LEU A 77 4.338 -5.803 -4.590 1.00 0.07 N ATOM 655 CA LEU A 77 4.922 -5.885 -3.263 1.00 0.06 C ATOM 656 C LEU A 77 3.900 -5.946 -2.164 1.00 0.06 C ATOM 657 O LEU A 77 4.239 -6.144 -0.978 1.00 0.07 O ATOM 658 CB LEU A 77 5.921 -4.745 -3.083 1.00 0.05 C ATOM 659 CG LEU A 77 5.399 -3.291 -3.281 1.00 0.04 C ATOM 660 CD1 LEU A 77 4.445 -2.795 -2.199 1.00 0.05 C ATOM 661 CD2 LEU A 77 6.561 -2.390 -3.345 1.00 0.04 C ATOM 0 H LEU A 77 4.042 -4.860 -4.842 1.00 0.07 H new ATOM 0 HA LEU A 77 5.454 -6.833 -3.183 1.00 0.06 H new ATOM 0 HB2 LEU A 77 6.337 -4.819 -2.078 1.00 0.05 H new ATOM 0 HB3 LEU A 77 6.743 -4.905 -3.781 1.00 0.05 H new ATOM 0 HG LEU A 77 4.818 -3.295 -4.203 1.00 0.04 H new ATOM 0 HD11 LEU A 77 4.137 -1.774 -2.425 1.00 0.05 H new ATOM 0 HD12 LEU A 77 3.567 -3.440 -2.165 1.00 0.05 H new ATOM 0 HD13 LEU A 77 4.948 -2.816 -1.232 1.00 0.05 H new ATOM 0 HD21 LEU A 77 6.219 -1.364 -3.484 1.00 0.04 H new ATOM 0 HD22 LEU A 77 7.128 -2.461 -2.417 1.00 0.04 H new ATOM 0 HD23 LEU A 77 7.198 -2.676 -4.182 1.00 0.04 H new ATOM 673 N SER A 78 2.664 -5.774 -2.553 1.00 0.06 N ATOM 674 CA SER A 78 1.570 -5.732 -1.649 1.00 0.07 C ATOM 675 C SER A 78 1.512 -6.979 -0.781 1.00 0.07 C ATOM 676 O SER A 78 1.651 -8.096 -1.284 1.00 0.08 O ATOM 677 CB SER A 78 0.321 -5.637 -2.495 1.00 0.07 C ATOM 678 OG SER A 78 0.359 -6.635 -3.515 1.00 0.08 O ATOM 0 H SER A 78 2.395 -5.658 -3.530 1.00 0.06 H new ATOM 0 HA SER A 78 1.671 -4.882 -0.974 1.00 0.07 H new ATOM 0 HB2 SER A 78 -0.564 -5.772 -1.873 1.00 0.07 H new ATOM 0 HB3 SER A 78 0.247 -4.646 -2.943 1.00 0.07 H new ATOM 0 HG SER A 78 0.881 -7.403 -3.202 1.00 0.08 H new ATOM 684 N LEU A 79 1.253 -6.754 0.498 1.00 0.08 N ATOM 685 CA LEU A 79 1.114 -7.776 1.529 1.00 0.09 C ATOM 686 C LEU A 79 2.067 -8.973 1.376 1.00 0.13 C ATOM 687 O LEU A 79 1.657 -10.133 1.432 1.00 0.18 O ATOM 688 CB LEU A 79 -0.337 -8.191 1.667 1.00 0.10 C ATOM 689 CG LEU A 79 -0.960 -7.930 3.053 1.00 0.11 C ATOM 690 CD1 LEU A 79 -0.263 -8.725 4.136 1.00 0.11 C ATOM 691 CD2 LEU A 79 -0.920 -6.451 3.394 1.00 0.14 C ATOM 0 H LEU A 79 1.128 -5.810 0.864 1.00 0.08 H new ATOM 0 HA LEU A 79 1.431 -7.316 2.465 1.00 0.09 H new ATOM 0 HB2 LEU A 79 -0.924 -7.662 0.916 1.00 0.10 H new ATOM 0 HB3 LEU A 79 -0.418 -9.255 1.443 1.00 0.10 H new ATOM 0 HG LEU A 79 -1.999 -8.256 3.005 1.00 0.11 H new ATOM 0 HD11 LEU A 79 -0.729 -8.515 5.099 1.00 0.11 H new ATOM 0 HD12 LEU A 79 -0.346 -9.789 3.917 1.00 0.11 H new ATOM 0 HD13 LEU A 79 0.789 -8.444 4.174 1.00 0.11 H new ATOM 0 HD21 LEU A 79 -1.365 -6.292 4.376 1.00 0.14 H new ATOM 0 HD22 LEU A 79 0.115 -6.108 3.404 1.00 0.14 H new ATOM 0 HD23 LEU A 79 -1.481 -5.890 2.646 1.00 0.14 H new ATOM 703 N GLY A 80 3.310 -8.670 1.143 1.00 0.19 N ATOM 704 CA GLY A 80 4.321 -9.677 1.051 1.00 0.24 C ATOM 705 C GLY A 80 5.582 -9.138 1.617 1.00 0.24 C ATOM 706 O GLY A 80 5.997 -9.504 2.706 1.00 0.29 O ATOM 0 H GLY A 80 3.650 -7.717 1.012 1.00 0.19 H new ATOM 0 HA2 GLY A 80 4.015 -10.571 1.594 1.00 0.24 H new ATOM 0 HA3 GLY A 80 4.468 -9.971 0.012 1.00 0.24 H new ATOM 710 N SER A 81 6.148 -8.214 0.914 1.00 0.20 N ATOM 711 CA SER A 81 7.333 -7.530 1.339 1.00 0.19 C ATOM 712 C SER A 81 7.273 -6.124 0.782 1.00 0.13 C ATOM 713 O SER A 81 7.423 -5.918 -0.427 1.00 0.13 O ATOM 714 CB SER A 81 8.574 -8.294 0.852 1.00 0.24 C ATOM 715 OG SER A 81 8.487 -8.589 -0.540 1.00 0.26 O ATOM 0 H SER A 81 5.796 -7.904 0.008 1.00 0.20 H new ATOM 0 HA SER A 81 7.398 -7.479 2.426 1.00 0.19 H new ATOM 0 HB2 SER A 81 9.468 -7.701 1.045 1.00 0.24 H new ATOM 0 HB3 SER A 81 8.678 -9.221 1.417 1.00 0.24 H new ATOM 0 HG SER A 81 8.004 -7.870 -0.997 1.00 0.26 H new ATOM 721 N TYR A 82 7.029 -5.156 1.626 1.00 0.10 N ATOM 722 CA TYR A 82 6.829 -3.840 1.145 1.00 0.06 C ATOM 723 C TYR A 82 7.448 -2.829 2.062 1.00 0.09 C ATOM 724 O TYR A 82 7.870 -3.156 3.171 1.00 0.11 O ATOM 725 CB TYR A 82 5.316 -3.555 0.951 1.00 0.06 C ATOM 726 CG TYR A 82 4.430 -3.503 2.202 1.00 0.08 C ATOM 727 CD1 TYR A 82 4.569 -2.464 3.091 1.00 0.17 C ATOM 728 CD2 TYR A 82 3.410 -4.436 2.447 1.00 0.12 C ATOM 729 CE1 TYR A 82 3.764 -2.325 4.177 1.00 0.18 C ATOM 730 CE2 TYR A 82 2.596 -4.306 3.563 1.00 0.13 C ATOM 731 CZ TYR A 82 2.784 -3.236 4.418 1.00 0.15 C ATOM 732 OH TYR A 82 1.966 -3.055 5.501 1.00 0.15 O ATOM 0 H TYR A 82 6.967 -5.265 2.638 1.00 0.10 H new ATOM 0 HA TYR A 82 7.322 -3.756 0.176 1.00 0.06 H new ATOM 0 HB2 TYR A 82 5.219 -2.601 0.433 1.00 0.06 H new ATOM 0 HB3 TYR A 82 4.914 -4.321 0.288 1.00 0.06 H new ATOM 0 HD1 TYR A 82 5.345 -1.733 2.921 1.00 0.17 H new ATOM 0 HD2 TYR A 82 3.258 -5.259 1.764 1.00 0.12 H new ATOM 0 HE1 TYR A 82 3.903 -1.491 4.849 1.00 0.18 H new ATOM 0 HE2 TYR A 82 1.823 -5.034 3.762 1.00 0.13 H new ATOM 0 HH TYR A 82 1.777 -2.100 5.612 1.00 0.15 H new ATOM 742 N ALA A 83 7.549 -1.638 1.582 1.00 0.11 N ATOM 743 CA ALA A 83 7.950 -0.537 2.376 1.00 0.15 C ATOM 744 C ALA A 83 6.948 0.559 2.129 1.00 0.11 C ATOM 745 O ALA A 83 6.793 1.018 1.015 1.00 0.13 O ATOM 746 CB ALA A 83 9.336 -0.090 1.977 1.00 0.21 C ATOM 0 H ALA A 83 7.351 -1.401 0.610 1.00 0.11 H new ATOM 0 HA ALA A 83 7.983 -0.800 3.433 1.00 0.15 H new ATOM 0 HB1 ALA A 83 9.636 0.758 2.593 1.00 0.21 H new ATOM 0 HB2 ALA A 83 10.039 -0.911 2.121 1.00 0.21 H new ATOM 0 HB3 ALA A 83 9.335 0.206 0.928 1.00 0.21 H new ATOM 752 N ALA A 84 6.259 0.975 3.122 1.00 0.13 N ATOM 753 CA ALA A 84 5.271 1.982 2.898 1.00 0.15 C ATOM 754 C ALA A 84 5.651 3.255 3.572 1.00 0.18 C ATOM 755 O ALA A 84 6.140 3.244 4.710 1.00 0.22 O ATOM 756 CB ALA A 84 3.899 1.512 3.345 1.00 0.20 C ATOM 0 H ALA A 84 6.350 0.648 4.084 1.00 0.13 H new ATOM 0 HA ALA A 84 5.220 2.172 1.826 1.00 0.15 H new ATOM 0 HB1 ALA A 84 3.167 2.299 3.162 1.00 0.20 H new ATOM 0 HB2 ALA A 84 3.620 0.620 2.785 1.00 0.20 H new ATOM 0 HB3 ALA A 84 3.923 1.279 4.410 1.00 0.20 H new ATOM 762 N LEU A 85 5.476 4.332 2.879 1.00 0.21 N ATOM 763 CA LEU A 85 5.695 5.623 3.418 1.00 0.26 C ATOM 764 C LEU A 85 4.396 6.339 3.308 1.00 0.24 C ATOM 765 O LEU A 85 3.555 5.966 2.485 1.00 0.22 O ATOM 766 CB LEU A 85 6.744 6.401 2.611 1.00 0.33 C ATOM 767 CG LEU A 85 7.115 7.774 3.170 1.00 0.43 C ATOM 768 CD1 LEU A 85 8.003 7.651 4.366 1.00 0.53 C ATOM 769 CD2 LEU A 85 7.744 8.680 2.146 1.00 0.65 C ATOM 0 H LEU A 85 5.171 4.334 1.906 1.00 0.21 H new ATOM 0 HA LEU A 85 6.056 5.543 4.443 1.00 0.26 H new ATOM 0 HB2 LEU A 85 7.649 5.797 2.546 1.00 0.33 H new ATOM 0 HB3 LEU A 85 6.373 6.530 1.594 1.00 0.33 H new ATOM 0 HG LEU A 85 6.175 8.237 3.471 1.00 0.43 H new ATOM 0 HD11 LEU A 85 8.249 8.645 4.740 1.00 0.53 H new ATOM 0 HD12 LEU A 85 7.489 7.087 5.144 1.00 0.53 H new ATOM 0 HD13 LEU A 85 8.920 7.131 4.087 1.00 0.53 H new ATOM 0 HD21 LEU A 85 7.984 9.638 2.606 1.00 0.65 H new ATOM 0 HD22 LEU A 85 8.657 8.221 1.766 1.00 0.65 H new ATOM 0 HD23 LEU A 85 7.047 8.837 1.322 1.00 0.65 H new ATOM 781 N HIS A 86 4.196 7.308 4.157 1.00 0.28 N ATOM 782 CA HIS A 86 3.046 8.173 4.063 1.00 0.27 C ATOM 783 C HIS A 86 2.926 8.718 2.634 1.00 0.28 C ATOM 784 O HIS A 86 3.826 9.389 2.132 1.00 0.34 O ATOM 785 CB HIS A 86 3.163 9.329 5.105 1.00 0.33 C ATOM 786 CG HIS A 86 4.547 9.972 5.223 1.00 0.41 C ATOM 787 ND1 HIS A 86 5.284 9.951 6.379 1.00 0.49 N ATOM 788 CD2 HIS A 86 5.321 10.627 4.323 1.00 0.45 C ATOM 789 CE1 HIS A 86 6.433 10.556 6.175 1.00 0.56 C ATOM 790 NE2 HIS A 86 6.473 10.975 4.944 1.00 0.54 N ATOM 0 H HIS A 86 4.822 7.523 4.933 1.00 0.28 H new ATOM 0 HA HIS A 86 2.142 7.608 4.289 1.00 0.27 H new ATOM 0 HB2 HIS A 86 2.442 10.104 4.844 1.00 0.33 H new ATOM 0 HB3 HIS A 86 2.876 8.943 6.083 1.00 0.33 H new ATOM 0 HD2 HIS A 86 5.065 10.834 3.295 1.00 0.45 H new ATOM 0 HE1 HIS A 86 7.215 10.684 6.909 1.00 0.56 H new ATOM 0 HE2 HIS A 86 7.247 11.483 4.516 1.00 0.54 H new ATOM 799 N GLY A 87 1.847 8.389 1.985 1.00 0.26 N ATOM 800 CA GLY A 87 1.628 8.860 0.651 1.00 0.32 C ATOM 801 C GLY A 87 2.007 7.872 -0.453 1.00 0.26 C ATOM 802 O GLY A 87 1.266 7.747 -1.430 1.00 0.26 O ATOM 0 H GLY A 87 1.106 7.796 2.359 1.00 0.26 H new ATOM 0 HA2 GLY A 87 0.575 9.118 0.541 1.00 0.32 H new ATOM 0 HA3 GLY A 87 2.198 9.778 0.508 1.00 0.32 H new ATOM 806 N GLU A 88 3.142 7.168 -0.325 1.00 0.22 N ATOM 807 CA GLU A 88 3.600 6.288 -1.416 1.00 0.18 C ATOM 808 C GLU A 88 4.127 4.961 -0.908 1.00 0.15 C ATOM 809 O GLU A 88 4.780 4.888 0.133 1.00 0.15 O ATOM 810 CB GLU A 88 4.657 6.964 -2.311 1.00 0.17 C ATOM 811 CG GLU A 88 4.184 8.297 -2.856 1.00 0.20 C ATOM 812 CD GLU A 88 5.159 8.983 -3.758 1.00 0.21 C ATOM 813 OE1 GLU A 88 6.072 9.675 -3.268 1.00 0.26 O ATOM 814 OE2 GLU A 88 5.000 8.897 -4.978 1.00 0.26 O ATOM 0 H GLU A 88 3.746 7.187 0.497 1.00 0.22 H new ATOM 0 HA GLU A 88 2.715 6.092 -2.021 1.00 0.18 H new ATOM 0 HB2 GLU A 88 5.573 7.113 -1.739 1.00 0.17 H new ATOM 0 HB3 GLU A 88 4.904 6.302 -3.141 1.00 0.17 H new ATOM 0 HG2 GLU A 88 3.253 8.142 -3.401 1.00 0.20 H new ATOM 0 HG3 GLU A 88 3.958 8.957 -2.019 1.00 0.20 H new ATOM 821 N PHE A 89 3.848 3.925 -1.655 1.00 0.13 N ATOM 822 CA PHE A 89 4.249 2.594 -1.325 1.00 0.10 C ATOM 823 C PHE A 89 5.440 2.314 -2.191 1.00 0.09 C ATOM 824 O PHE A 89 5.434 2.617 -3.398 1.00 0.09 O ATOM 825 CB PHE A 89 3.074 1.629 -1.595 1.00 0.09 C ATOM 826 CG PHE A 89 1.850 2.084 -0.836 1.00 0.09 C ATOM 827 CD1 PHE A 89 1.049 3.097 -1.364 1.00 0.14 C ATOM 828 CD2 PHE A 89 1.547 1.592 0.426 1.00 0.18 C ATOM 829 CE1 PHE A 89 -0.011 3.593 -0.668 1.00 0.19 C ATOM 830 CE2 PHE A 89 0.491 2.105 1.127 1.00 0.22 C ATOM 831 CZ PHE A 89 -0.288 3.112 0.569 1.00 0.14 C ATOM 0 H PHE A 89 3.324 3.991 -2.528 1.00 0.13 H new ATOM 0 HA PHE A 89 4.513 2.466 -0.275 1.00 0.10 H new ATOM 0 HB2 PHE A 89 2.858 1.595 -2.663 1.00 0.09 H new ATOM 0 HB3 PHE A 89 3.345 0.618 -1.292 1.00 0.09 H new ATOM 0 HD1 PHE A 89 1.274 3.495 -2.343 1.00 0.14 H new ATOM 0 HD2 PHE A 89 2.146 0.803 0.855 1.00 0.18 H new ATOM 0 HE1 PHE A 89 -0.629 4.367 -1.100 1.00 0.19 H new ATOM 0 HE2 PHE A 89 0.262 1.728 2.113 1.00 0.22 H new ATOM 0 HZ PHE A 89 -1.121 3.515 1.126 1.00 0.14 H new ATOM 841 N TYR A 90 6.460 1.808 -1.614 1.00 0.08 N ATOM 842 CA TYR A 90 7.706 1.728 -2.278 1.00 0.08 C ATOM 843 C TYR A 90 8.273 0.344 -2.033 1.00 0.06 C ATOM 844 O TYR A 90 7.899 -0.323 -1.068 1.00 0.08 O ATOM 845 CB TYR A 90 8.581 2.797 -1.621 1.00 0.09 C ATOM 846 CG TYR A 90 8.997 3.943 -2.497 1.00 0.10 C ATOM 847 CD1 TYR A 90 8.041 4.848 -2.980 1.00 0.15 C ATOM 848 CD2 TYR A 90 10.319 4.164 -2.824 1.00 0.13 C ATOM 849 CE1 TYR A 90 8.404 5.913 -3.761 1.00 0.22 C ATOM 850 CE2 TYR A 90 10.682 5.234 -3.604 1.00 0.20 C ATOM 851 CZ TYR A 90 9.724 6.106 -4.068 1.00 0.15 C ATOM 852 OH TYR A 90 10.092 7.169 -4.849 1.00 0.34 O ATOM 0 H TYR A 90 6.458 1.435 -0.664 1.00 0.08 H new ATOM 0 HA TYR A 90 7.640 1.888 -3.354 1.00 0.08 H new ATOM 0 HB2 TYR A 90 8.044 3.200 -0.762 1.00 0.09 H new ATOM 0 HB3 TYR A 90 9.480 2.315 -1.237 1.00 0.09 H new ATOM 0 HD1 TYR A 90 7.000 4.703 -2.732 1.00 0.15 H new ATOM 0 HD2 TYR A 90 11.078 3.487 -2.462 1.00 0.13 H new ATOM 0 HE1 TYR A 90 7.654 6.596 -4.132 1.00 0.22 H new ATOM 0 HE2 TYR A 90 11.721 5.391 -3.854 1.00 0.20 H new ATOM 0 HH TYR A 90 10.824 7.655 -4.416 1.00 0.34 H new ATOM 862 N CYS A 91 9.109 -0.132 -2.915 1.00 0.05 N ATOM 863 CA CYS A 91 9.713 -1.411 -2.674 1.00 0.05 C ATOM 864 C CYS A 91 10.877 -1.192 -1.769 1.00 0.08 C ATOM 865 O CYS A 91 11.420 -0.082 -1.776 1.00 0.08 O ATOM 866 CB CYS A 91 10.181 -2.094 -3.964 1.00 0.05 C ATOM 867 SG CYS A 91 11.479 -1.211 -4.840 1.00 0.06 S ATOM 0 H CYS A 91 9.381 0.331 -3.782 1.00 0.05 H new ATOM 0 HA CYS A 91 8.971 -2.072 -2.225 1.00 0.05 H new ATOM 0 HB2 CYS A 91 10.538 -3.095 -3.722 1.00 0.05 H new ATOM 0 HB3 CYS A 91 9.326 -2.213 -4.629 1.00 0.05 H new ATOM 872 N LYS A 92 11.270 -2.175 -1.019 1.00 0.11 N ATOM 873 CA LYS A 92 12.389 -2.021 -0.112 1.00 0.13 C ATOM 874 C LYS A 92 13.679 -1.481 -0.812 1.00 0.13 C ATOM 875 O LYS A 92 14.249 -0.499 -0.316 1.00 0.14 O ATOM 876 CB LYS A 92 12.631 -3.310 0.680 1.00 0.17 C ATOM 877 CG LYS A 92 11.470 -3.660 1.598 1.00 0.24 C ATOM 878 CD LYS A 92 11.716 -4.947 2.354 1.00 0.30 C ATOM 879 CE LYS A 92 10.517 -5.320 3.222 1.00 1.36 C ATOM 880 NZ LYS A 92 10.167 -4.263 4.206 1.00 2.19 N ATOM 0 H LYS A 92 10.838 -3.099 -1.010 1.00 0.11 H new ATOM 0 HA LYS A 92 12.118 -1.246 0.605 1.00 0.13 H new ATOM 0 HB2 LYS A 92 12.800 -4.132 -0.015 1.00 0.17 H new ATOM 0 HB3 LYS A 92 13.539 -3.202 1.274 1.00 0.17 H new ATOM 0 HG2 LYS A 92 11.310 -2.848 2.307 1.00 0.24 H new ATOM 0 HG3 LYS A 92 10.557 -3.754 1.009 1.00 0.24 H new ATOM 0 HD2 LYS A 92 11.921 -5.752 1.648 1.00 0.30 H new ATOM 0 HD3 LYS A 92 12.601 -4.839 2.981 1.00 0.30 H new ATOM 0 HE2 LYS A 92 9.656 -5.513 2.581 1.00 1.36 H new ATOM 0 HE3 LYS A 92 10.733 -6.247 3.753 1.00 1.36 H new ATOM 0 HZ1 LYS A 92 9.716 -4.697 5.037 1.00 2.19 H new ATOM 0 HZ2 LYS A 92 11.030 -3.764 4.502 1.00 2.19 H new ATOM 0 HZ3 LYS A 92 9.509 -3.586 3.769 1.00 2.19 H new ATOM 894 N PRO A 93 14.119 -2.033 -2.000 1.00 0.13 N ATOM 895 CA PRO A 93 15.303 -1.506 -2.709 1.00 0.14 C ATOM 896 C PRO A 93 15.175 -0.013 -3.078 1.00 0.13 C ATOM 897 O PRO A 93 16.078 0.780 -2.800 1.00 0.14 O ATOM 898 CB PRO A 93 15.374 -2.358 -3.975 1.00 0.14 C ATOM 899 CG PRO A 93 14.680 -3.619 -3.611 1.00 0.14 C ATOM 900 CD PRO A 93 13.560 -3.215 -2.714 1.00 0.13 C ATOM 0 HA PRO A 93 16.194 -1.562 -2.084 1.00 0.14 H new ATOM 0 HB2 PRO A 93 14.885 -1.864 -4.815 1.00 0.14 H new ATOM 0 HB3 PRO A 93 16.406 -2.544 -4.271 1.00 0.14 H new ATOM 0 HG2 PRO A 93 14.307 -4.131 -4.498 1.00 0.14 H new ATOM 0 HG3 PRO A 93 15.357 -4.308 -3.106 1.00 0.14 H new ATOM 0 HD2 PRO A 93 12.662 -2.960 -3.277 1.00 0.13 H new ATOM 0 HD3 PRO A 93 13.287 -4.013 -2.023 1.00 0.13 H new ATOM 908 N HIS A 94 14.048 0.376 -3.673 1.00 0.11 N ATOM 909 CA HIS A 94 13.839 1.784 -4.040 1.00 0.11 C ATOM 910 C HIS A 94 13.698 2.661 -2.827 1.00 0.12 C ATOM 911 O HIS A 94 14.125 3.805 -2.830 1.00 0.13 O ATOM 912 CB HIS A 94 12.654 2.011 -5.008 1.00 0.09 C ATOM 913 CG HIS A 94 12.951 1.687 -6.440 1.00 0.10 C ATOM 914 ND1 HIS A 94 11.983 1.212 -7.301 1.00 0.09 N ATOM 915 CD2 HIS A 94 14.116 1.812 -7.104 1.00 0.12 C ATOM 916 CE1 HIS A 94 12.591 1.047 -8.468 1.00 0.10 C ATOM 917 NE2 HIS A 94 13.888 1.404 -8.395 1.00 0.12 N ATOM 0 H HIS A 94 13.276 -0.247 -3.910 1.00 0.11 H new ATOM 0 HA HIS A 94 14.741 2.070 -4.581 1.00 0.11 H new ATOM 0 HB2 HIS A 94 11.811 1.404 -4.679 1.00 0.09 H new ATOM 0 HB3 HIS A 94 12.342 3.053 -4.942 1.00 0.09 H new ATOM 0 HD2 HIS A 94 15.052 2.166 -6.698 1.00 0.12 H new ATOM 0 HE1 HIS A 94 12.109 0.675 -9.360 1.00 0.10 H new ATOM 0 HE2 HIS A 94 14.570 1.376 -9.153 1.00 0.12 H new ATOM 925 N PHE A 95 13.116 2.118 -1.787 1.00 0.13 N ATOM 926 CA PHE A 95 12.896 2.835 -0.553 1.00 0.16 C ATOM 927 C PHE A 95 14.238 3.181 0.063 1.00 0.19 C ATOM 928 O PHE A 95 14.413 4.259 0.631 1.00 0.22 O ATOM 929 CB PHE A 95 12.077 1.971 0.393 1.00 0.19 C ATOM 930 CG PHE A 95 11.455 2.699 1.537 1.00 0.22 C ATOM 931 CD1 PHE A 95 10.539 3.691 1.298 1.00 0.29 C ATOM 932 CD2 PHE A 95 11.760 2.381 2.843 1.00 0.27 C ATOM 933 CE1 PHE A 95 9.941 4.359 2.325 1.00 0.35 C ATOM 934 CE2 PHE A 95 11.154 3.047 3.883 1.00 0.33 C ATOM 935 CZ PHE A 95 10.242 4.040 3.623 1.00 0.34 C ATOM 0 H PHE A 95 12.778 1.156 -1.772 1.00 0.13 H new ATOM 0 HA PHE A 95 12.347 3.757 -0.744 1.00 0.16 H new ATOM 0 HB2 PHE A 95 11.288 1.482 -0.178 1.00 0.19 H new ATOM 0 HB3 PHE A 95 12.719 1.184 0.789 1.00 0.19 H new ATOM 0 HD1 PHE A 95 10.287 3.947 0.280 1.00 0.29 H new ATOM 0 HD2 PHE A 95 12.480 1.603 3.051 1.00 0.27 H new ATOM 0 HE1 PHE A 95 9.228 5.142 2.115 1.00 0.35 H new ATOM 0 HE2 PHE A 95 11.395 2.789 4.904 1.00 0.33 H new ATOM 0 HZ PHE A 95 9.765 4.566 4.437 1.00 0.34 H new ATOM 945 N GLN A 96 15.181 2.263 -0.062 1.00 0.20 N ATOM 946 CA GLN A 96 16.539 2.471 0.397 1.00 0.23 C ATOM 947 C GLN A 96 17.225 3.577 -0.370 1.00 0.23 C ATOM 948 O GLN A 96 17.791 4.475 0.223 1.00 0.26 O ATOM 949 CB GLN A 96 17.348 1.198 0.245 1.00 0.26 C ATOM 950 CG GLN A 96 16.933 0.113 1.181 1.00 0.41 C ATOM 951 CD GLN A 96 17.648 -1.193 0.928 1.00 0.70 C ATOM 952 OE1 GLN A 96 17.178 -2.035 0.161 1.00 1.18 O ATOM 953 NE2 GLN A 96 18.791 -1.369 1.538 1.00 1.58 N ATOM 0 H GLN A 96 15.023 1.349 -0.487 1.00 0.20 H new ATOM 0 HA GLN A 96 16.482 2.756 1.447 1.00 0.23 H new ATOM 0 HB2 GLN A 96 17.255 0.838 -0.780 1.00 0.26 H new ATOM 0 HB3 GLN A 96 18.401 1.425 0.409 1.00 0.26 H new ATOM 0 HG2 GLN A 96 17.124 0.432 2.206 1.00 0.41 H new ATOM 0 HG3 GLN A 96 15.858 -0.045 1.091 1.00 0.41 H new ATOM 0 HE21 GLN A 96 19.150 -0.650 2.166 1.00 1.58 H new ATOM 0 HE22 GLN A 96 19.324 -2.225 1.385 1.00 1.58 H new ATOM 962 N GLN A 97 17.146 3.527 -1.675 1.00 0.21 N ATOM 963 CA GLN A 97 17.846 4.465 -2.503 1.00 0.22 C ATOM 964 C GLN A 97 17.211 5.853 -2.515 1.00 0.24 C ATOM 965 O GLN A 97 17.882 6.862 -2.276 1.00 0.28 O ATOM 966 CB GLN A 97 17.901 3.913 -3.908 1.00 0.22 C ATOM 967 CG GLN A 97 18.687 2.629 -4.024 1.00 0.27 C ATOM 968 CD GLN A 97 18.787 2.130 -5.442 1.00 0.35 C ATOM 969 OE1 GLN A 97 17.896 2.362 -6.273 1.00 1.06 O ATOM 970 NE2 GLN A 97 19.858 1.450 -5.736 1.00 1.29 N ATOM 0 H GLN A 97 16.597 2.837 -2.188 1.00 0.21 H new ATOM 0 HA GLN A 97 18.846 4.592 -2.088 1.00 0.22 H new ATOM 0 HB2 GLN A 97 16.884 3.740 -4.261 1.00 0.22 H new ATOM 0 HB3 GLN A 97 18.344 4.661 -4.566 1.00 0.22 H new ATOM 0 HG2 GLN A 97 19.690 2.786 -3.628 1.00 0.27 H new ATOM 0 HG3 GLN A 97 18.216 1.864 -3.407 1.00 0.27 H new ATOM 0 HE21 GLN A 97 20.567 1.282 -5.022 1.00 1.29 H new ATOM 0 HE22 GLN A 97 19.988 1.086 -6.680 1.00 1.29 H new ATOM 979 N LEU A 98 15.939 5.895 -2.782 1.00 0.21 N ATOM 980 CA LEU A 98 15.229 7.135 -2.936 1.00 0.24 C ATOM 981 C LEU A 98 14.860 7.800 -1.611 1.00 0.26 C ATOM 982 O LEU A 98 15.094 8.997 -1.422 1.00 0.32 O ATOM 983 CB LEU A 98 14.005 6.870 -3.781 1.00 0.20 C ATOM 984 CG LEU A 98 14.309 6.442 -5.224 1.00 0.24 C ATOM 985 CD1 LEU A 98 13.124 5.784 -5.831 1.00 0.21 C ATOM 986 CD2 LEU A 98 14.690 7.633 -6.062 1.00 0.28 C ATOM 0 H LEU A 98 15.359 5.065 -2.900 1.00 0.21 H new ATOM 0 HA LEU A 98 15.890 7.849 -3.428 1.00 0.24 H new ATOM 0 HB2 LEU A 98 13.410 6.092 -3.302 1.00 0.20 H new ATOM 0 HB3 LEU A 98 13.393 7.771 -3.804 1.00 0.20 H new ATOM 0 HG LEU A 98 15.142 5.739 -5.195 1.00 0.24 H new ATOM 0 HD11 LEU A 98 13.357 5.487 -6.854 1.00 0.21 H new ATOM 0 HD12 LEU A 98 12.859 4.902 -5.248 1.00 0.21 H new ATOM 0 HD13 LEU A 98 12.285 6.480 -5.837 1.00 0.21 H new ATOM 0 HD21 LEU A 98 14.901 7.308 -7.081 1.00 0.28 H new ATOM 0 HD22 LEU A 98 13.868 8.349 -6.072 1.00 0.28 H new ATOM 0 HD23 LEU A 98 15.577 8.106 -5.640 1.00 0.28 H new ATOM 998 N PHE A 99 14.356 7.031 -0.657 1.00 0.25 N ATOM 999 CA PHE A 99 13.913 7.643 0.585 1.00 0.32 C ATOM 1000 C PHE A 99 14.910 7.486 1.719 1.00 0.35 C ATOM 1001 O PHE A 99 14.905 8.250 2.671 1.00 0.54 O ATOM 1002 CB PHE A 99 12.519 7.171 0.999 1.00 0.35 C ATOM 1003 CG PHE A 99 11.378 7.724 0.182 1.00 0.38 C ATOM 1004 CD1 PHE A 99 11.468 8.953 -0.467 1.00 0.62 C ATOM 1005 CD2 PHE A 99 10.206 7.004 0.058 1.00 0.44 C ATOM 1006 CE1 PHE A 99 10.416 9.431 -1.213 1.00 0.64 C ATOM 1007 CE2 PHE A 99 9.155 7.485 -0.686 1.00 0.47 C ATOM 1008 CZ PHE A 99 9.266 8.699 -1.324 1.00 0.42 C ATOM 0 H PHE A 99 14.246 6.019 -0.714 1.00 0.25 H new ATOM 0 HA PHE A 99 13.849 8.711 0.376 1.00 0.32 H new ATOM 0 HB2 PHE A 99 12.491 6.083 0.941 1.00 0.35 H new ATOM 0 HB3 PHE A 99 12.359 7.439 2.043 1.00 0.35 H new ATOM 0 HD1 PHE A 99 12.373 9.537 -0.384 1.00 0.62 H new ATOM 0 HD2 PHE A 99 10.114 6.049 0.553 1.00 0.44 H new ATOM 0 HE1 PHE A 99 10.498 10.385 -1.712 1.00 0.64 H new ATOM 0 HE2 PHE A 99 8.244 6.911 -0.770 1.00 0.47 H new ATOM 0 HZ PHE A 99 8.443 9.075 -1.914 1.00 0.42 H new ATOM 1018 N LYS A 100 15.779 6.472 1.580 1.00 0.30 N ATOM 1019 CA LYS A 100 16.880 6.197 2.499 1.00 0.37 C ATOM 1020 C LYS A 100 16.392 5.933 3.917 1.00 0.60 C ATOM 1021 O LYS A 100 17.048 6.311 4.892 1.00 1.48 O ATOM 1022 CB LYS A 100 17.878 7.350 2.461 1.00 0.79 C ATOM 1023 CG LYS A 100 18.446 7.616 1.068 1.00 1.70 C ATOM 1024 CD LYS A 100 19.266 8.894 1.011 1.00 2.17 C ATOM 1025 CE LYS A 100 18.414 10.127 1.302 1.00 3.02 C ATOM 1026 NZ LYS A 100 17.284 10.270 0.350 1.00 3.68 N ATOM 0 H LYS A 100 15.729 5.809 0.806 1.00 0.30 H new ATOM 0 HA LYS A 100 17.378 5.284 2.171 1.00 0.37 H new ATOM 0 HB2 LYS A 100 17.391 8.254 2.825 1.00 0.79 H new ATOM 0 HB3 LYS A 100 18.699 7.133 3.144 1.00 0.79 H new ATOM 0 HG2 LYS A 100 19.069 6.774 0.766 1.00 1.70 H new ATOM 0 HG3 LYS A 100 17.627 7.680 0.351 1.00 1.70 H new ATOM 0 HD2 LYS A 100 20.080 8.836 1.733 1.00 2.17 H new ATOM 0 HD3 LYS A 100 19.721 8.991 0.025 1.00 2.17 H new ATOM 0 HE2 LYS A 100 18.024 10.065 2.318 1.00 3.02 H new ATOM 0 HE3 LYS A 100 19.040 11.018 1.255 1.00 3.02 H new ATOM 0 HZ1 LYS A 100 16.870 11.220 0.442 1.00 3.68 H new ATOM 0 HZ2 LYS A 100 17.630 10.136 -0.622 1.00 3.68 H new ATOM 0 HZ3 LYS A 100 16.559 9.555 0.561 1.00 3.68 H new ATOM 1040 N SER A 101 15.261 5.269 4.026 1.00 0.82 N ATOM 1041 CA SER A 101 14.674 5.008 5.313 1.00 1.14 C ATOM 1042 C SER A 101 14.883 3.550 5.771 1.00 0.92 C ATOM 1043 O SER A 101 15.856 3.251 6.478 1.00 1.67 O ATOM 1044 CB SER A 101 13.192 5.438 5.343 1.00 1.78 C ATOM 1045 OG SER A 101 12.580 5.137 6.584 1.00 2.59 O ATOM 0 H SER A 101 14.733 4.902 3.235 1.00 0.82 H new ATOM 0 HA SER A 101 15.201 5.621 6.044 1.00 1.14 H new ATOM 0 HB2 SER A 101 13.121 6.509 5.153 1.00 1.78 H new ATOM 0 HB3 SER A 101 12.652 4.936 4.541 1.00 1.78 H new ATOM 0 HG SER A 101 11.643 5.425 6.565 1.00 2.59 H new ATOM 1051 N LYS A 102 14.013 2.646 5.351 1.00 1.04 N ATOM 1052 CA LYS A 102 14.097 1.269 5.789 1.00 0.85 C ATOM 1053 C LYS A 102 14.838 0.384 4.796 1.00 0.79 C ATOM 1054 O LYS A 102 16.071 0.445 4.721 1.00 1.68 O ATOM 1055 CB LYS A 102 12.717 0.682 6.127 1.00 1.88 C ATOM 1056 CG LYS A 102 12.009 1.298 7.327 1.00 2.59 C ATOM 1057 CD LYS A 102 12.726 0.966 8.625 1.00 3.33 C ATOM 1058 CE LYS A 102 11.958 1.483 9.830 1.00 4.31 C ATOM 1059 NZ LYS A 102 12.598 1.083 11.097 1.00 4.85 N ATOM 0 H LYS A 102 13.245 2.843 4.710 1.00 1.04 H new ATOM 0 HA LYS A 102 14.683 1.284 6.708 1.00 0.85 H new ATOM 0 HB2 LYS A 102 12.073 0.791 5.254 1.00 1.88 H new ATOM 0 HB3 LYS A 102 12.832 -0.387 6.307 1.00 1.88 H new ATOM 0 HG2 LYS A 102 11.957 2.380 7.205 1.00 2.59 H new ATOM 0 HG3 LYS A 102 10.983 0.933 7.373 1.00 2.59 H new ATOM 0 HD2 LYS A 102 12.851 -0.114 8.707 1.00 3.33 H new ATOM 0 HD3 LYS A 102 13.725 1.403 8.613 1.00 3.33 H new ATOM 0 HE2 LYS A 102 11.894 2.570 9.782 1.00 4.31 H new ATOM 0 HE3 LYS A 102 10.937 1.102 9.802 1.00 4.31 H new ATOM 0 HZ1 LYS A 102 12.046 1.454 11.897 1.00 4.85 H new ATOM 0 HZ2 LYS A 102 12.636 0.045 11.154 1.00 4.85 H new ATOM 0 HZ3 LYS A 102 13.563 1.468 11.135 1.00 4.85 H new ATOM 1073 N GLY A 103 14.097 -0.367 3.974 1.00 0.81 N ATOM 1074 CA GLY A 103 14.718 -1.334 3.118 1.00 1.93 C ATOM 1075 C GLY A 103 15.275 -2.480 3.913 1.00 2.25 C ATOM 1076 O GLY A 103 16.309 -3.047 3.577 1.00 2.66 O ATOM 0 H GLY A 103 13.081 -0.312 3.897 1.00 0.81 H new ATOM 0 HA2 GLY A 103 13.990 -1.707 2.397 1.00 1.93 H new ATOM 0 HA3 GLY A 103 15.517 -0.860 2.548 1.00 1.93 H new ATOM 1080 N ASN A 104 14.597 -2.802 4.965 1.00 2.63 N ATOM 1081 CA ASN A 104 15.033 -3.818 5.877 1.00 2.95 C ATOM 1082 C ASN A 104 14.059 -4.948 5.862 1.00 3.69 C ATOM 1083 O ASN A 104 13.030 -4.893 5.183 1.00 4.12 O ATOM 1084 CB ASN A 104 15.146 -3.245 7.295 1.00 3.02 C ATOM 1085 CG ASN A 104 16.295 -2.276 7.462 1.00 3.71 C ATOM 1086 OD1 ASN A 104 16.146 -1.069 7.287 1.00 4.38 O ATOM 1087 ND2 ASN A 104 17.443 -2.788 7.802 1.00 4.01 N ATOM 0 H ASN A 104 13.713 -2.364 5.222 1.00 2.63 H new ATOM 0 HA ASN A 104 16.014 -4.179 5.568 1.00 2.95 H new ATOM 0 HB2 ASN A 104 14.214 -2.740 7.550 1.00 3.02 H new ATOM 0 HB3 ASN A 104 15.267 -4.066 8.002 1.00 3.02 H new ATOM 0 HD21 ASN A 104 18.253 -2.182 7.931 1.00 4.01 H new ATOM 0 HD22 ASN A 104 17.532 -3.795 7.939 1.00 4.01 H new ATOM 1094 N TYR A 105 14.357 -5.971 6.606 1.00 4.27 N ATOM 1095 CA TYR A 105 13.508 -7.121 6.691 1.00 5.20 C ATOM 1096 C TYR A 105 12.457 -6.925 7.758 1.00 5.64 C ATOM 1097 O TYR A 105 12.308 -7.727 8.688 1.00 6.11 O ATOM 1098 CB TYR A 105 14.328 -8.390 6.903 1.00 5.97 C ATOM 1099 CG TYR A 105 15.220 -8.692 5.724 1.00 6.72 C ATOM 1100 CD1 TYR A 105 14.719 -9.355 4.615 1.00 7.31 C ATOM 1101 CD2 TYR A 105 16.549 -8.295 5.707 1.00 7.14 C ATOM 1102 CE1 TYR A 105 15.512 -9.620 3.526 1.00 8.24 C ATOM 1103 CE2 TYR A 105 17.349 -8.553 4.618 1.00 8.08 C ATOM 1104 CZ TYR A 105 16.824 -9.217 3.530 1.00 8.62 C ATOM 1105 OH TYR A 105 17.624 -9.490 2.443 1.00 9.70 O ATOM 0 H TYR A 105 15.202 -6.031 7.175 1.00 4.27 H new ATOM 0 HA TYR A 105 12.984 -7.243 5.743 1.00 5.20 H new ATOM 0 HB2 TYR A 105 14.938 -8.282 7.800 1.00 5.97 H new ATOM 0 HB3 TYR A 105 13.656 -9.231 7.074 1.00 5.97 H new ATOM 0 HD1 TYR A 105 13.686 -9.669 4.607 1.00 7.31 H new ATOM 0 HD2 TYR A 105 16.961 -7.776 6.560 1.00 7.14 H new ATOM 0 HE1 TYR A 105 15.106 -10.142 2.672 1.00 8.24 H new ATOM 0 HE2 TYR A 105 18.382 -8.237 4.615 1.00 8.08 H new ATOM 0 HH TYR A 105 18.524 -9.137 2.603 1.00 9.70 H new ATOM 1115 N ASP A 106 11.759 -5.825 7.631 1.00 5.76 N ATOM 1116 CA ASP A 106 10.648 -5.484 8.472 1.00 6.37 C ATOM 1117 C ASP A 106 9.416 -6.216 7.971 1.00 7.20 C ATOM 1118 O ASP A 106 8.568 -5.678 7.246 1.00 7.66 O ATOM 1119 CB ASP A 106 10.435 -3.940 8.544 1.00 6.33 C ATOM 1120 CG ASP A 106 10.260 -3.272 7.186 1.00 6.96 C ATOM 1121 OD1 ASP A 106 11.255 -3.129 6.445 1.00 7.31 O ATOM 1122 OD2 ASP A 106 9.138 -2.879 6.821 1.00 7.36 O ATOM 0 H ASP A 106 11.957 -5.124 6.917 1.00 5.76 H new ATOM 0 HA ASP A 106 10.852 -5.801 9.495 1.00 6.37 H new ATOM 0 HB2 ASP A 106 9.556 -3.733 9.154 1.00 6.33 H new ATOM 0 HB3 ASP A 106 11.288 -3.490 9.051 1.00 6.33 H new ATOM 1127 N GLU A 107 9.377 -7.468 8.280 1.00 7.67 N ATOM 1128 CA GLU A 107 8.280 -8.305 7.939 1.00 8.69 C ATOM 1129 C GLU A 107 7.417 -8.506 9.171 1.00 9.33 C ATOM 1130 O GLU A 107 7.812 -9.252 10.098 1.00 9.71 O ATOM 1131 CB GLU A 107 8.759 -9.627 7.279 1.00 9.08 C ATOM 1132 CG GLU A 107 9.821 -10.399 8.055 1.00 9.64 C ATOM 1133 CD GLU A 107 10.303 -11.631 7.329 1.00 10.27 C ATOM 1134 OE1 GLU A 107 9.671 -12.704 7.454 1.00 10.54 O ATOM 1135 OE2 GLU A 107 11.351 -11.565 6.642 1.00 10.67 O ATOM 1136 OXT GLU A 107 6.372 -7.848 9.269 1.00 9.65 O ATOM 0 H GLU A 107 10.122 -7.946 8.787 1.00 7.67 H new ATOM 0 HA GLU A 107 7.661 -7.827 7.180 1.00 8.69 H new ATOM 0 HB2 GLU A 107 7.895 -10.276 7.136 1.00 9.08 H new ATOM 0 HB3 GLU A 107 9.152 -9.397 6.289 1.00 9.08 H new ATOM 0 HG2 GLU A 107 10.670 -9.743 8.249 1.00 9.64 H new ATOM 0 HG3 GLU A 107 9.415 -10.690 9.024 1.00 9.64 H new TER 1143 GLU A 107 HETATM 1144 ZN ZN A 201 -6.917 0.525 -4.059 1.00 0.07 ZN HETATM 1145 ZN ZN A 202 10.632 -0.090 -6.655 1.00 0.07 ZN