USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0489 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 51:sc= 1.05 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -123:sc=-0.00445 (180deg=-0.0217) USER MOD Single : A 22 ASN : amide:sc= -2.11! C(o=-2.1!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -96:sc= 1.18 USER MOD Single : A 26 ASN : amide:sc= -7.16! C(o=-7.2!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 SER OG : rot 180:sc=-0.000826 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0203 (180deg=-0.204) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -62:sc= 0.0399 USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.0829) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.334 -6.316 5.650 1.00 0.00 N ATOM 2 CA GLY A 1 -3.415 -6.884 4.866 1.00 0.00 C ATOM 3 C GLY A 1 -4.781 -6.537 5.424 1.00 0.00 C ATOM 4 O GLY A 1 -5.588 -7.424 5.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.422 -6.582 5.227 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.421 -5.280 5.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.383 -6.679 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.343 -6.524 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.304 -7.968 4.832 1.00 0.00 H new ATOM 8 N SER A 2 -5.041 -5.244 5.587 1.00 0.00 N ATOM 9 CA SER A 2 -6.317 -4.783 6.121 1.00 0.00 C ATOM 10 C SER A 2 -7.019 -3.859 5.130 1.00 0.00 C ATOM 11 O SER A 2 -6.441 -3.463 4.118 1.00 0.00 O ATOM 12 CB SER A 2 -6.105 -4.056 7.451 1.00 0.00 C ATOM 13 OG SER A 2 -7.339 -3.826 8.109 1.00 0.00 O ATOM 0 H SER A 2 -4.385 -4.497 5.357 1.00 0.00 H new ATOM 0 HA SER A 2 -6.949 -5.655 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.452 -4.648 8.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.601 -3.106 7.273 1.00 0.00 H new ATOM 0 HG SER A 2 -7.176 -3.362 8.957 1.00 0.00 H new ATOM 19 N SER A 3 -8.269 -3.521 5.429 1.00 0.00 N ATOM 20 CA SER A 3 -9.053 -2.647 4.563 1.00 0.00 C ATOM 21 C SER A 3 -9.603 -1.459 5.346 1.00 0.00 C ATOM 22 O SER A 3 -10.112 -1.613 6.455 1.00 0.00 O ATOM 23 CB SER A 3 -10.202 -3.427 3.922 1.00 0.00 C ATOM 24 OG SER A 3 -10.979 -2.591 3.082 1.00 0.00 O ATOM 0 H SER A 3 -8.761 -3.839 6.264 1.00 0.00 H new ATOM 0 HA SER A 3 -8.397 -2.270 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.802 -4.259 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.834 -3.855 4.700 1.00 0.00 H new ATOM 0 HG SER A 3 -11.706 -3.113 2.683 1.00 0.00 H new ATOM 30 N GLY A 4 -9.497 -0.271 4.758 1.00 0.00 N ATOM 31 CA GLY A 4 -9.987 0.928 5.413 1.00 0.00 C ATOM 32 C GLY A 4 -10.042 2.119 4.477 1.00 0.00 C ATOM 33 O GLY A 4 -11.111 2.684 4.242 1.00 0.00 O ATOM 0 H GLY A 4 -9.080 -0.118 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.983 0.738 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.343 1.165 6.260 1.00 0.00 H new ATOM 37 N SER A 5 -8.888 2.503 3.942 1.00 0.00 N ATOM 38 CA SER A 5 -8.808 3.639 3.030 1.00 0.00 C ATOM 39 C SER A 5 -9.302 3.254 1.639 1.00 0.00 C ATOM 40 O SER A 5 -10.158 3.927 1.065 1.00 0.00 O ATOM 41 CB SER A 5 -7.370 4.154 2.949 1.00 0.00 C ATOM 42 OG SER A 5 -7.273 5.259 2.066 1.00 0.00 O ATOM 0 H SER A 5 -7.995 2.045 4.124 1.00 0.00 H new ATOM 0 HA SER A 5 -9.449 4.431 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.029 4.447 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.712 3.354 2.609 1.00 0.00 H new ATOM 0 HG SER A 5 -6.344 5.571 2.033 1.00 0.00 H new ATOM 48 N SER A 6 -8.756 2.167 1.103 1.00 0.00 N ATOM 49 CA SER A 6 -9.138 1.694 -0.222 1.00 0.00 C ATOM 50 C SER A 6 -10.655 1.606 -0.351 1.00 0.00 C ATOM 51 O SER A 6 -11.248 2.189 -1.259 1.00 0.00 O ATOM 52 CB SER A 6 -8.510 0.327 -0.499 1.00 0.00 C ATOM 53 OG SER A 6 -8.930 -0.182 -1.753 1.00 0.00 O ATOM 0 H SER A 6 -8.048 1.598 1.566 1.00 0.00 H new ATOM 0 HA SER A 6 -8.770 2.410 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.423 0.412 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.787 -0.371 0.291 1.00 0.00 H new ATOM 0 HG SER A 6 -8.514 -1.056 -1.907 1.00 0.00 H new ATOM 59 N GLY A 7 -11.279 0.871 0.564 1.00 0.00 N ATOM 60 CA GLY A 7 -12.722 0.718 0.536 1.00 0.00 C ATOM 61 C GLY A 7 -13.151 -0.735 0.490 1.00 0.00 C ATOM 62 O GLY A 7 -13.821 -1.221 1.401 1.00 0.00 O ATOM 0 H GLY A 7 -10.811 0.378 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.152 1.193 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.123 1.239 -0.333 1.00 0.00 H new ATOM 66 N TYR A 8 -12.765 -1.430 -0.574 1.00 0.00 N ATOM 67 CA TYR A 8 -13.118 -2.836 -0.738 1.00 0.00 C ATOM 68 C TYR A 8 -12.232 -3.501 -1.787 1.00 0.00 C ATOM 69 O TYR A 8 -11.493 -2.830 -2.509 1.00 0.00 O ATOM 70 CB TYR A 8 -14.589 -2.972 -1.135 1.00 0.00 C ATOM 71 CG TYR A 8 -14.823 -2.895 -2.626 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.602 -3.999 -3.442 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.263 -1.719 -3.221 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.814 -3.933 -4.805 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.479 -1.645 -4.584 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.253 -2.754 -5.371 1.00 0.00 C ATOM 77 OH TYR A 8 -15.466 -2.684 -6.729 1.00 0.00 O ATOM 0 H TYR A 8 -12.208 -1.043 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.959 -3.338 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.970 -3.924 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.163 -2.186 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.259 -4.924 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.439 -0.848 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.637 -4.800 -5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.823 -0.724 -5.030 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.037 -3.430 -7.009 1.00 0.00 H new ATOM 87 N THR A 9 -12.313 -4.825 -1.867 1.00 0.00 N ATOM 88 CA THR A 9 -11.520 -5.583 -2.827 1.00 0.00 C ATOM 89 C THR A 9 -12.215 -6.885 -3.208 1.00 0.00 C ATOM 90 O THR A 9 -12.990 -7.439 -2.427 1.00 0.00 O ATOM 91 CB THR A 9 -10.121 -5.905 -2.270 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.537 -4.727 -1.701 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.214 -6.448 -3.364 1.00 0.00 C ATOM 0 H THR A 9 -12.920 -5.395 -1.278 1.00 0.00 H new ATOM 0 HA THR A 9 -11.415 -4.958 -3.714 1.00 0.00 H new ATOM 0 HB THR A 9 -10.229 -6.667 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.648 -4.940 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.232 -6.668 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.646 -7.360 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.114 -5.705 -4.155 1.00 0.00 H new ATOM 101 N CYS A 10 -11.933 -7.371 -4.412 1.00 0.00 N ATOM 102 CA CYS A 10 -12.531 -8.609 -4.897 1.00 0.00 C ATOM 103 C CYS A 10 -12.316 -9.744 -3.900 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.195 -3.690 1.00 0.00 O ATOM 105 CB CYS A 10 -11.936 -8.989 -6.255 1.00 0.00 C ATOM 106 SG CYS A 10 -12.606 -10.532 -6.954 1.00 0.00 S ATOM 0 H CYS A 10 -11.293 -6.926 -5.070 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.603 -8.446 -5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.115 -8.176 -6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.856 -9.089 -6.151 1.00 0.00 H new ATOM 111 N PHE A 11 -13.403 -10.200 -3.288 1.00 0.00 N ATOM 112 CA PHE A 11 -13.335 -11.281 -2.312 1.00 0.00 C ATOM 113 C PHE A 11 -13.191 -12.632 -3.007 1.00 0.00 C ATOM 114 O PHE A 11 -13.213 -13.680 -2.361 1.00 0.00 O ATOM 115 CB PHE A 11 -14.584 -11.280 -1.429 1.00 0.00 C ATOM 116 CG PHE A 11 -14.452 -12.138 -0.203 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.549 -11.810 0.795 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.232 -13.272 -0.048 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.425 -12.598 1.923 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.114 -14.064 1.078 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.210 -13.726 2.066 1.00 0.00 C ATOM 0 H PHE A 11 -14.342 -9.838 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.457 -11.118 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.803 -10.257 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.434 -11.627 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.935 -10.928 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.941 -13.541 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.715 -12.333 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.728 -14.946 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.117 -14.342 2.948 1.00 0.00 H new ATOM 131 N ARG A 12 -13.044 -12.599 -4.327 1.00 0.00 N ATOM 132 CA ARG A 12 -12.899 -13.820 -5.111 1.00 0.00 C ATOM 133 C ARG A 12 -11.431 -14.222 -5.224 1.00 0.00 C ATOM 134 O ARG A 12 -11.028 -15.283 -4.748 1.00 0.00 O ATOM 135 CB ARG A 12 -13.496 -13.631 -6.506 1.00 0.00 C ATOM 136 CG ARG A 12 -13.856 -14.936 -7.197 1.00 0.00 C ATOM 137 CD ARG A 12 -14.569 -14.689 -8.517 1.00 0.00 C ATOM 138 NE ARG A 12 -15.247 -15.886 -9.006 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.488 -16.218 -8.668 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.183 -15.446 -7.844 1.00 0.00 N ATOM 141 NH2 ARG A 12 -17.036 -17.324 -9.154 1.00 0.00 N ATOM 0 H ARG A 12 -13.022 -11.740 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.438 -14.617 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.390 -13.012 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.784 -13.086 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.951 -15.517 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.494 -15.531 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.296 -13.887 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.847 -14.352 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.740 -16.501 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.765 -14.595 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.136 -15.703 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.504 -17.921 -9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.989 -17.578 -8.894 1.00 0.00 H new ATOM 155 N CYS A 13 -10.637 -13.366 -5.859 1.00 0.00 N ATOM 156 CA CYS A 13 -9.214 -13.631 -6.037 1.00 0.00 C ATOM 157 C CYS A 13 -8.382 -12.819 -5.048 1.00 0.00 C ATOM 158 O CYS A 13 -7.314 -13.252 -4.618 1.00 0.00 O ATOM 159 CB CYS A 13 -8.788 -13.302 -7.469 1.00 0.00 C ATOM 160 SG CYS A 13 -8.961 -11.543 -7.912 1.00 0.00 S ATOM 0 H CYS A 13 -10.955 -12.483 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.040 -14.690 -5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.748 -13.599 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.383 -13.900 -8.160 1.00 0.00 H new ATOM 165 N GLY A 14 -8.881 -11.639 -4.693 1.00 0.00 N ATOM 166 CA GLY A 14 -8.171 -10.786 -3.757 1.00 0.00 C ATOM 167 C GLY A 14 -7.418 -9.667 -4.450 1.00 0.00 C ATOM 168 O GLY A 14 -6.296 -9.334 -4.069 1.00 0.00 O ATOM 0 H GLY A 14 -9.763 -11.259 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.881 -10.358 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.470 -11.389 -3.180 1.00 0.00 H new ATOM 172 N LYS A 15 -8.036 -9.084 -5.472 1.00 0.00 N ATOM 173 CA LYS A 15 -7.418 -7.996 -6.221 1.00 0.00 C ATOM 174 C LYS A 15 -8.360 -6.800 -6.318 1.00 0.00 C ATOM 175 O LYS A 15 -9.543 -6.935 -6.628 1.00 0.00 O ATOM 176 CB LYS A 15 -7.032 -8.470 -7.624 1.00 0.00 C ATOM 177 CG LYS A 15 -5.870 -9.448 -7.637 1.00 0.00 C ATOM 178 CD LYS A 15 -4.537 -8.729 -7.761 1.00 0.00 C ATOM 179 CE LYS A 15 -4.139 -8.541 -9.216 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.747 -8.026 -9.349 1.00 0.00 N ATOM 0 H LYS A 15 -8.965 -9.347 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.519 -7.686 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.897 -8.941 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.774 -7.604 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.881 -10.040 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.988 -10.143 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.600 -7.757 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.766 -9.298 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.226 -9.492 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.830 -7.847 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.514 -7.911 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.670 -7.107 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.085 -8.700 -8.915 1.00 0.00 H new ATOM 194 N PRO A 16 -7.823 -5.600 -6.049 1.00 0.00 N ATOM 195 CA PRO A 16 -8.597 -4.357 -6.102 1.00 0.00 C ATOM 196 C PRO A 16 -8.983 -3.974 -7.527 1.00 0.00 C ATOM 197 O PRO A 16 -8.688 -4.700 -8.476 1.00 0.00 O ATOM 198 CB PRO A 16 -7.642 -3.318 -5.509 1.00 0.00 C ATOM 199 CG PRO A 16 -6.281 -3.871 -5.757 1.00 0.00 C ATOM 200 CD PRO A 16 -6.419 -5.366 -5.673 1.00 0.00 C ATOM 0 HA PRO A 16 -9.542 -4.443 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.768 -2.346 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.824 -3.176 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.909 -3.568 -6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.570 -3.503 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.732 -5.872 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.205 -5.734 -4.669 1.00 0.00 H new ATOM 208 N GLY A 17 -9.642 -2.829 -7.670 1.00 0.00 N ATOM 209 CA GLY A 17 -10.057 -2.369 -8.982 1.00 0.00 C ATOM 210 C GLY A 17 -11.394 -2.946 -9.403 1.00 0.00 C ATOM 211 O GLY A 17 -12.202 -2.263 -10.032 1.00 0.00 O ATOM 0 H GLY A 17 -9.896 -2.211 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.119 -1.281 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.299 -2.643 -9.716 1.00 0.00 H new ATOM 215 N HIS A 18 -11.628 -4.208 -9.057 1.00 0.00 N ATOM 216 CA HIS A 18 -12.877 -4.877 -9.403 1.00 0.00 C ATOM 217 C HIS A 18 -13.474 -5.578 -8.187 1.00 0.00 C ATOM 218 O HIS A 18 -12.850 -5.642 -7.127 1.00 0.00 O ATOM 219 CB HIS A 18 -12.644 -5.888 -10.526 1.00 0.00 C ATOM 220 CG HIS A 18 -11.806 -7.059 -10.113 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.430 -7.066 -10.195 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.158 -8.265 -9.610 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.971 -8.227 -9.762 1.00 0.00 C ATOM 224 NE2 HIS A 18 -10.999 -8.973 -9.401 1.00 0.00 N ATOM 0 H HIS A 18 -10.969 -4.788 -8.537 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.583 -4.120 -9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.608 -6.250 -10.884 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.162 -5.384 -11.363 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.856 -6.295 -10.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.163 -8.607 -9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.932 -8.517 -9.712 1.00 0.00 H new ATOM 232 N TYR A 19 -14.685 -6.100 -8.346 1.00 0.00 N ATOM 233 CA TYR A 19 -15.367 -6.793 -7.260 1.00 0.00 C ATOM 234 C TYR A 19 -15.594 -8.261 -7.608 1.00 0.00 C ATOM 235 O TYR A 19 -15.428 -8.671 -8.757 1.00 0.00 O ATOM 236 CB TYR A 19 -16.705 -6.117 -6.956 1.00 0.00 C ATOM 237 CG TYR A 19 -17.314 -5.416 -8.150 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.630 -4.401 -8.807 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.573 -5.768 -8.619 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.183 -3.757 -9.897 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.133 -5.131 -9.710 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.434 -4.126 -10.345 1.00 0.00 C ATOM 243 OH TYR A 19 -18.989 -3.488 -11.431 1.00 0.00 O ATOM 0 H TYR A 19 -15.215 -6.056 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.732 -6.742 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.406 -6.866 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.563 -5.393 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.649 -4.110 -8.460 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.124 -6.553 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.638 -2.969 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.112 -5.419 -10.063 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.873 -3.868 -11.617 1.00 0.00 H new ATOM 253 N ILE A 20 -15.975 -9.048 -6.607 1.00 0.00 N ATOM 254 CA ILE A 20 -16.227 -10.469 -6.807 1.00 0.00 C ATOM 255 C ILE A 20 -17.325 -10.693 -7.842 1.00 0.00 C ATOM 256 O ILE A 20 -17.560 -11.820 -8.280 1.00 0.00 O ATOM 257 CB ILE A 20 -16.629 -11.160 -5.490 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.990 -12.624 -5.747 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.795 -10.427 -4.843 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.799 -13.515 -4.539 1.00 0.00 C ATOM 0 H ILE A 20 -16.116 -8.725 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.296 -10.907 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.781 -11.129 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.029 -12.682 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.379 -13.002 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.068 -10.927 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.505 -9.398 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.648 -10.431 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.074 -14.538 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.755 -13.487 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.430 -13.162 -3.723 1.00 0.00 H new ATOM 272 N LYS A 21 -17.993 -9.613 -8.230 1.00 0.00 N ATOM 273 CA LYS A 21 -19.065 -9.689 -9.216 1.00 0.00 C ATOM 274 C LYS A 21 -18.538 -9.392 -10.616 1.00 0.00 C ATOM 275 O LYS A 21 -19.024 -9.944 -11.602 1.00 0.00 O ATOM 276 CB LYS A 21 -20.183 -8.706 -8.861 1.00 0.00 C ATOM 277 CG LYS A 21 -20.295 -8.423 -7.373 1.00 0.00 C ATOM 278 CD LYS A 21 -21.083 -9.507 -6.658 1.00 0.00 C ATOM 279 CE LYS A 21 -21.763 -8.969 -5.408 1.00 0.00 C ATOM 280 NZ LYS A 21 -20.776 -8.473 -4.409 1.00 0.00 N ATOM 0 H LYS A 21 -17.811 -8.674 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.464 -10.703 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.011 -7.768 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.132 -9.104 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.298 -8.351 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.780 -7.459 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.833 -9.918 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.415 -10.325 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.440 -8.160 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.371 -9.754 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.913 -8.973 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.812 -8.646 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.913 -7.453 -4.263 1.00 0.00 H new ATOM 294 N ASN A 22 -17.539 -8.519 -10.695 1.00 0.00 N ATOM 295 CA ASN A 22 -16.945 -8.150 -11.975 1.00 0.00 C ATOM 296 C ASN A 22 -15.558 -8.766 -12.129 1.00 0.00 C ATOM 297 O ASN A 22 -14.791 -8.382 -13.012 1.00 0.00 O ATOM 298 CB ASN A 22 -16.856 -6.627 -12.099 1.00 0.00 C ATOM 299 CG ASN A 22 -16.012 -6.193 -13.282 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.344 -6.477 -14.433 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.915 -5.499 -13.003 1.00 0.00 N ATOM 0 H ASN A 22 -17.124 -8.054 -9.888 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.584 -8.536 -12.769 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.860 -6.214 -12.201 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.433 -6.214 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.309 -5.178 -13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.679 -5.286 -12.034 1.00 0.00 H new ATOM 308 N CYS A 23 -15.244 -9.725 -11.265 1.00 0.00 N ATOM 309 CA CYS A 23 -13.950 -10.396 -11.303 1.00 0.00 C ATOM 310 C CYS A 23 -13.755 -11.124 -12.631 1.00 0.00 C ATOM 311 O CYS A 23 -14.647 -11.812 -13.127 1.00 0.00 O ATOM 312 CB CYS A 23 -13.831 -11.387 -10.144 1.00 0.00 C ATOM 313 SG CYS A 23 -12.221 -12.234 -10.051 1.00 0.00 S ATOM 0 H CYS A 23 -15.868 -10.055 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.172 -9.638 -11.205 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.005 -10.857 -9.208 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.618 -12.135 -10.238 1.00 0.00 H new ATOM 318 N PRO A 24 -12.559 -10.969 -13.219 1.00 0.00 N ATOM 319 CA PRO A 24 -12.218 -11.604 -14.496 1.00 0.00 C ATOM 320 C PRO A 24 -12.069 -13.116 -14.370 1.00 0.00 C ATOM 321 O PRO A 24 -12.278 -13.854 -15.334 1.00 0.00 O ATOM 322 CB PRO A 24 -10.877 -10.963 -14.862 1.00 0.00 C ATOM 323 CG PRO A 24 -10.288 -10.545 -13.559 1.00 0.00 C ATOM 324 CD PRO A 24 -11.450 -10.163 -12.684 1.00 0.00 C ATOM 0 HA PRO A 24 -12.996 -11.457 -15.246 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.229 -11.670 -15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.014 -10.110 -15.526 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.713 -11.356 -13.112 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.606 -9.705 -13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.256 -10.392 -11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.664 -9.096 -12.743 1.00 0.00 H new ATOM 332 N THR A 25 -11.708 -13.573 -13.175 1.00 0.00 N ATOM 333 CA THR A 25 -11.531 -14.998 -12.923 1.00 0.00 C ATOM 334 C THR A 25 -12.871 -15.724 -12.909 1.00 0.00 C ATOM 335 O THR A 25 -12.962 -16.887 -13.301 1.00 0.00 O ATOM 336 CB THR A 25 -10.812 -15.247 -11.584 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.709 -15.010 -10.494 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.593 -14.346 -11.449 1.00 0.00 C ATOM 0 H THR A 25 -11.532 -12.977 -12.366 1.00 0.00 H new ATOM 0 HA THR A 25 -10.917 -15.388 -13.735 1.00 0.00 H new ATOM 0 HB THR A 25 -10.482 -16.285 -11.562 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.583 -14.097 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.101 -14.540 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.898 -14.550 -12.264 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.905 -13.303 -11.491 1.00 0.00 H new ATOM 346 N ASN A 26 -13.911 -15.031 -12.457 1.00 0.00 N ATOM 347 CA ASN A 26 -15.247 -15.611 -12.392 1.00 0.00 C ATOM 348 C ASN A 26 -15.790 -15.883 -13.792 1.00 0.00 C ATOM 349 O ASN A 26 -16.869 -16.452 -13.951 1.00 0.00 O ATOM 350 CB ASN A 26 -16.196 -14.676 -11.639 1.00 0.00 C ATOM 351 CG ASN A 26 -16.497 -13.409 -12.415 1.00 0.00 C ATOM 352 OD1 ASN A 26 -16.626 -13.434 -13.639 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.611 -12.293 -11.705 1.00 0.00 N ATOM 0 H ASN A 26 -13.854 -14.066 -12.130 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.179 -16.558 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -17.128 -15.201 -11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.755 -14.413 -10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.813 -11.409 -12.173 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.496 -12.319 -10.692 1.00 0.00 H new ATOM 360 N GLY A 27 -15.032 -15.473 -14.805 1.00 0.00 N ATOM 361 CA GLY A 27 -15.453 -15.682 -16.178 1.00 0.00 C ATOM 362 C GLY A 27 -14.308 -16.101 -17.078 1.00 0.00 C ATOM 363 O GLY A 27 -14.320 -15.826 -18.278 1.00 0.00 O ATOM 0 H GLY A 27 -14.134 -15.000 -14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.230 -16.446 -16.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.896 -14.763 -16.563 1.00 0.00 H new ATOM 367 N ASP A 28 -13.314 -16.766 -16.498 1.00 0.00 N ATOM 368 CA ASP A 28 -12.155 -17.223 -17.256 1.00 0.00 C ATOM 369 C ASP A 28 -11.881 -18.700 -16.992 1.00 0.00 C ATOM 370 O ASP A 28 -12.522 -19.319 -16.143 1.00 0.00 O ATOM 371 CB ASP A 28 -10.924 -16.390 -16.896 1.00 0.00 C ATOM 372 CG ASP A 28 -10.763 -15.177 -17.791 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.793 -14.603 -18.201 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.608 -14.802 -18.082 1.00 0.00 O ATOM 0 H ASP A 28 -13.288 -17.000 -15.506 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.372 -17.097 -18.317 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.000 -16.065 -15.858 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.033 -17.013 -16.970 1.00 0.00 H new ATOM 379 N LYS A 29 -10.925 -19.259 -17.725 1.00 0.00 N ATOM 380 CA LYS A 29 -10.564 -20.664 -17.571 1.00 0.00 C ATOM 381 C LYS A 29 -9.359 -20.818 -16.649 1.00 0.00 C ATOM 382 O LYS A 29 -9.466 -21.383 -15.562 1.00 0.00 O ATOM 383 CB LYS A 29 -10.259 -21.286 -18.935 1.00 0.00 C ATOM 384 CG LYS A 29 -11.493 -21.502 -19.795 1.00 0.00 C ATOM 385 CD LYS A 29 -12.361 -22.624 -19.252 1.00 0.00 C ATOM 386 CE LYS A 29 -13.621 -22.807 -20.085 1.00 0.00 C ATOM 387 NZ LYS A 29 -14.586 -23.736 -19.434 1.00 0.00 N ATOM 0 H LYS A 29 -10.385 -18.761 -18.433 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.411 -21.184 -17.123 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.561 -20.642 -19.471 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.759 -22.243 -18.785 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.073 -20.580 -19.838 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.190 -21.736 -20.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.792 -23.554 -19.242 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.634 -22.407 -18.219 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.097 -21.839 -20.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.353 -23.192 -21.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.431 -23.834 -20.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.140 -24.667 -19.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.861 -23.356 -18.506 1.00 0.00 H new ATOM 401 N ASN A 30 -8.213 -20.311 -17.091 1.00 0.00 N ATOM 402 CA ASN A 30 -6.987 -20.392 -16.305 1.00 0.00 C ATOM 403 C ASN A 30 -6.789 -19.128 -15.474 1.00 0.00 C ATOM 404 O ASN A 30 -6.570 -19.195 -14.264 1.00 0.00 O ATOM 405 CB ASN A 30 -5.781 -20.606 -17.222 1.00 0.00 C ATOM 406 CG ASN A 30 -5.717 -22.018 -17.773 1.00 0.00 C ATOM 407 OD1 ASN A 30 -6.672 -22.503 -18.380 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.588 -22.684 -17.563 1.00 0.00 N ATOM 0 H ASN A 30 -8.107 -19.840 -17.989 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.075 -21.241 -15.628 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.827 -19.898 -18.049 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.866 -20.392 -16.670 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.486 -23.638 -17.910 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.822 -22.242 -17.055 1.00 0.00 H new ATOM 415 N PHE A 31 -6.869 -17.976 -16.131 1.00 0.00 N ATOM 416 CA PHE A 31 -6.699 -16.696 -15.453 1.00 0.00 C ATOM 417 C PHE A 31 -5.470 -16.718 -14.549 1.00 0.00 C ATOM 418 O PHE A 31 -5.441 -16.064 -13.508 1.00 0.00 O ATOM 419 CB PHE A 31 -7.945 -16.360 -14.631 1.00 0.00 C ATOM 420 CG PHE A 31 -8.191 -17.316 -13.499 1.00 0.00 C ATOM 421 CD1 PHE A 31 -8.937 -18.467 -13.696 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.676 -17.065 -12.237 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.166 -19.348 -12.656 1.00 0.00 C ATOM 424 CE2 PHE A 31 -7.900 -17.942 -11.193 1.00 0.00 C ATOM 425 CZ PHE A 31 -8.646 -19.086 -11.403 1.00 0.00 C ATOM 0 H PHE A 31 -7.050 -17.902 -17.132 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.556 -15.928 -16.213 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.845 -15.352 -14.229 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.814 -16.356 -15.288 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.344 -18.678 -14.674 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.092 -16.172 -12.067 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.751 -20.240 -12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.493 -17.734 -10.215 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.822 -19.774 -10.589 1.00 0.00 H new ATOM 435 N GLU A 32 -4.457 -17.476 -14.957 1.00 0.00 N ATOM 436 CA GLU A 32 -3.225 -17.585 -14.183 1.00 0.00 C ATOM 437 C GLU A 32 -2.002 -17.431 -15.082 1.00 0.00 C ATOM 438 O GLU A 32 -2.020 -17.829 -16.247 1.00 0.00 O ATOM 439 CB GLU A 32 -3.171 -18.931 -13.456 1.00 0.00 C ATOM 440 CG GLU A 32 -1.927 -19.112 -12.603 1.00 0.00 C ATOM 441 CD GLU A 32 -1.527 -20.567 -12.455 1.00 0.00 C ATOM 442 OE1 GLU A 32 -1.665 -21.322 -13.441 1.00 0.00 O ATOM 443 OE2 GLU A 32 -1.076 -20.950 -11.356 1.00 0.00 O ATOM 0 H GLU A 32 -4.465 -18.023 -15.818 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.216 -16.781 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.053 -19.028 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.217 -19.734 -14.192 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.102 -18.556 -13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.103 -18.685 -11.616 1.00 0.00 H new ATOM 450 N SER A 33 -0.941 -16.849 -14.533 1.00 0.00 N ATOM 451 CA SER A 33 0.290 -16.637 -15.285 1.00 0.00 C ATOM 452 C SER A 33 1.231 -17.829 -15.135 1.00 0.00 C ATOM 453 O SER A 33 1.907 -18.224 -16.084 1.00 0.00 O ATOM 454 CB SER A 33 0.987 -15.360 -14.814 1.00 0.00 C ATOM 455 OG SER A 33 1.449 -15.493 -13.481 1.00 0.00 O ATOM 0 H SER A 33 -0.909 -16.516 -13.570 1.00 0.00 H new ATOM 0 HA SER A 33 0.029 -16.533 -16.338 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.826 -15.136 -15.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.296 -14.519 -14.881 1.00 0.00 H new ATOM 0 HG SER A 33 1.892 -14.664 -13.204 1.00 0.00 H new ATOM 461 N GLY A 34 1.268 -18.398 -13.934 1.00 0.00 N ATOM 462 CA GLY A 34 2.128 -19.538 -13.679 1.00 0.00 C ATOM 463 C GLY A 34 2.687 -19.540 -12.270 1.00 0.00 C ATOM 464 O GLY A 34 2.644 -18.535 -11.561 1.00 0.00 O ATOM 0 H GLY A 34 0.717 -18.089 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.566 -20.457 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.951 -19.535 -14.393 1.00 0.00 H new ATOM 468 N PRO A 35 3.226 -20.692 -11.845 1.00 0.00 N ATOM 469 CA PRO A 35 3.806 -20.849 -10.507 1.00 0.00 C ATOM 470 C PRO A 35 5.104 -20.067 -10.343 1.00 0.00 C ATOM 471 O PRO A 35 5.931 -20.020 -11.254 1.00 0.00 O ATOM 472 CB PRO A 35 4.071 -22.353 -10.410 1.00 0.00 C ATOM 473 CG PRO A 35 4.226 -22.803 -11.821 1.00 0.00 C ATOM 474 CD PRO A 35 3.312 -21.931 -12.637 1.00 0.00 C ATOM 0 HA PRO A 35 3.145 -20.468 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.969 -22.560 -9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.246 -22.869 -9.918 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.260 -22.702 -12.152 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.959 -23.855 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.717 -21.745 -13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.333 -22.390 -12.772 1.00 0.00 H new ATOM 482 N ARG A 36 5.277 -19.455 -9.176 1.00 0.00 N ATOM 483 CA ARG A 36 6.476 -18.674 -8.893 1.00 0.00 C ATOM 484 C ARG A 36 7.623 -19.579 -8.453 1.00 0.00 C ATOM 485 O ARG A 36 7.494 -20.340 -7.493 1.00 0.00 O ATOM 486 CB ARG A 36 6.189 -17.634 -7.809 1.00 0.00 C ATOM 487 CG ARG A 36 5.510 -18.210 -6.577 1.00 0.00 C ATOM 488 CD ARG A 36 4.004 -18.002 -6.622 1.00 0.00 C ATOM 489 NE ARG A 36 3.621 -16.671 -6.160 1.00 0.00 N ATOM 490 CZ ARG A 36 2.378 -16.336 -5.831 1.00 0.00 C ATOM 491 NH1 ARG A 36 1.404 -17.231 -5.913 1.00 0.00 N ATOM 492 NH2 ARG A 36 2.108 -15.104 -5.420 1.00 0.00 N ATOM 0 H ARG A 36 4.603 -19.485 -8.411 1.00 0.00 H new ATOM 0 HA ARG A 36 6.770 -18.162 -9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.126 -17.164 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.558 -16.850 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.729 -19.275 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.917 -17.739 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.648 -18.148 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.516 -18.755 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 36 4.348 -15.959 -6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.608 -18.179 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.451 -16.972 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.855 -14.412 -5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.153 -14.848 -5.168 1.00 0.00 H new ATOM 506 N ILE A 37 8.744 -19.492 -9.162 1.00 0.00 N ATOM 507 CA ILE A 37 9.913 -20.302 -8.844 1.00 0.00 C ATOM 508 C ILE A 37 10.921 -19.512 -8.016 1.00 0.00 C ATOM 509 O ILE A 37 11.680 -20.082 -7.232 1.00 0.00 O ATOM 510 CB ILE A 37 10.605 -20.817 -10.120 1.00 0.00 C ATOM 511 CG1 ILE A 37 11.749 -21.766 -9.759 1.00 0.00 C ATOM 512 CG2 ILE A 37 11.119 -19.651 -10.951 1.00 0.00 C ATOM 513 CD1 ILE A 37 12.204 -22.631 -10.913 1.00 0.00 C ATOM 0 H ILE A 37 8.867 -18.869 -9.960 1.00 0.00 H new ATOM 0 HA ILE A 37 9.558 -21.154 -8.264 1.00 0.00 H new ATOM 0 HB ILE A 37 9.875 -21.368 -10.714 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.595 -21.181 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.432 -22.408 -8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.605 -20.031 -11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.284 -19.010 -11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.836 -19.075 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.017 -23.278 -10.584 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.371 -23.243 -11.260 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.552 -21.997 -11.728 1.00 0.00 H new ATOM 525 N LYS A 38 10.922 -18.196 -8.194 1.00 0.00 N ATOM 526 CA LYS A 38 11.834 -17.325 -7.462 1.00 0.00 C ATOM 527 C LYS A 38 11.529 -17.351 -5.968 1.00 0.00 C ATOM 528 O LYS A 38 10.441 -17.752 -5.552 1.00 0.00 O ATOM 529 CB LYS A 38 11.735 -15.891 -7.988 1.00 0.00 C ATOM 530 CG LYS A 38 12.494 -15.665 -9.284 1.00 0.00 C ATOM 531 CD LYS A 38 12.667 -14.184 -9.578 1.00 0.00 C ATOM 532 CE LYS A 38 11.470 -13.622 -10.329 1.00 0.00 C ATOM 533 NZ LYS A 38 11.768 -12.293 -10.932 1.00 0.00 N ATOM 0 H LYS A 38 10.301 -17.708 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 38 12.849 -17.693 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.685 -15.641 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.116 -15.207 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.472 -16.141 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.960 -16.140 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.800 -13.639 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.572 -14.032 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.174 -14.318 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.624 -13.530 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.927 -11.944 -11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.026 -11.621 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.559 -12.385 -11.601 1.00 0.00 H new ATOM 547 N LYS A 39 12.495 -16.921 -5.164 1.00 0.00 N ATOM 548 CA LYS A 39 12.330 -16.892 -3.716 1.00 0.00 C ATOM 549 C LYS A 39 12.175 -15.460 -3.214 1.00 0.00 C ATOM 550 O LYS A 39 12.918 -14.566 -3.619 1.00 0.00 O ATOM 551 CB LYS A 39 13.527 -17.556 -3.032 1.00 0.00 C ATOM 552 CG LYS A 39 14.858 -16.904 -3.366 1.00 0.00 C ATOM 553 CD LYS A 39 16.028 -17.774 -2.939 1.00 0.00 C ATOM 554 CE LYS A 39 16.268 -18.907 -3.924 1.00 0.00 C ATOM 555 NZ LYS A 39 16.827 -18.413 -5.213 1.00 0.00 N ATOM 0 H LYS A 39 13.402 -16.587 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 39 11.424 -17.445 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.379 -17.528 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.564 -18.606 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.914 -16.718 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.924 -15.935 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.927 -17.163 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.834 -18.186 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.954 -19.631 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.330 -19.430 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.226 -19.211 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.071 -17.966 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.575 -17.716 -5.023 1.00 0.00 H new ATOM 569 N SER A 40 11.206 -15.249 -2.329 1.00 0.00 N ATOM 570 CA SER A 40 10.953 -13.925 -1.773 1.00 0.00 C ATOM 571 C SER A 40 12.070 -13.513 -0.819 1.00 0.00 C ATOM 572 O SER A 40 12.299 -14.160 0.204 1.00 0.00 O ATOM 573 CB SER A 40 9.609 -13.903 -1.043 1.00 0.00 C ATOM 574 OG SER A 40 8.549 -13.604 -1.935 1.00 0.00 O ATOM 0 H SER A 40 10.583 -15.978 -1.982 1.00 0.00 H new ATOM 0 HA SER A 40 10.922 -13.212 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.431 -14.870 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.637 -13.161 -0.245 1.00 0.00 H new ATOM 0 HG SER A 40 7.701 -13.598 -1.444 1.00 0.00 H new ATOM 580 N THR A 41 12.763 -12.431 -1.161 1.00 0.00 N ATOM 581 CA THR A 41 13.857 -11.933 -0.337 1.00 0.00 C ATOM 582 C THR A 41 13.340 -11.382 0.988 1.00 0.00 C ATOM 583 O THR A 41 12.493 -10.491 1.012 1.00 0.00 O ATOM 584 CB THR A 41 14.650 -10.830 -1.063 1.00 0.00 C ATOM 585 OG1 THR A 41 15.752 -10.405 -0.254 1.00 0.00 O ATOM 586 CG2 THR A 41 13.757 -9.640 -1.379 1.00 0.00 C ATOM 0 H THR A 41 12.586 -11.883 -2.003 1.00 0.00 H new ATOM 0 HA THR A 41 14.518 -12.778 -0.144 1.00 0.00 H new ATOM 0 HB THR A 41 15.026 -11.241 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.252 -9.705 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.339 -8.874 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.936 -9.961 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.355 -9.231 -0.452 1.00 0.00 H new ATOM 594 N GLY A 42 13.858 -11.919 2.089 1.00 0.00 N ATOM 595 CA GLY A 42 13.437 -11.468 3.402 1.00 0.00 C ATOM 596 C GLY A 42 12.898 -12.597 4.258 1.00 0.00 C ATOM 597 O GLY A 42 12.477 -13.631 3.739 1.00 0.00 O ATOM 0 H GLY A 42 14.561 -12.658 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.281 -11.002 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.669 -10.702 3.291 1.00 0.00 H new ATOM 601 N ILE A 43 12.913 -12.400 5.572 1.00 0.00 N ATOM 602 CA ILE A 43 12.423 -13.411 6.501 1.00 0.00 C ATOM 603 C ILE A 43 11.007 -13.849 6.141 1.00 0.00 C ATOM 604 O ILE A 43 10.226 -13.093 5.562 1.00 0.00 O ATOM 605 CB ILE A 43 12.435 -12.896 7.952 1.00 0.00 C ATOM 606 CG1 ILE A 43 11.543 -11.660 8.085 1.00 0.00 C ATOM 607 CG2 ILE A 43 13.858 -12.578 8.389 1.00 0.00 C ATOM 608 CD1 ILE A 43 12.296 -10.354 7.963 1.00 0.00 C ATOM 0 H ILE A 43 13.259 -11.550 6.017 1.00 0.00 H new ATOM 0 HA ILE A 43 13.096 -14.264 6.421 1.00 0.00 H new ATOM 0 HB ILE A 43 12.041 -13.677 8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.769 -11.697 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.037 -11.689 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 43 13.850 -12.215 9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.468 -13.479 8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 43 14.276 -11.811 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.600 -9.522 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.052 -10.295 8.746 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.780 -10.303 6.987 1.00 0.00 H new ATOM 620 N PRO A 44 10.667 -15.098 6.491 1.00 0.00 N ATOM 621 CA PRO A 44 9.343 -15.664 6.217 1.00 0.00 C ATOM 622 C PRO A 44 8.251 -15.023 7.067 1.00 0.00 C ATOM 623 O PRO A 44 7.094 -15.443 7.028 1.00 0.00 O ATOM 624 CB PRO A 44 9.506 -17.141 6.581 1.00 0.00 C ATOM 625 CG PRO A 44 10.615 -17.166 7.575 1.00 0.00 C ATOM 626 CD PRO A 44 11.548 -16.054 7.182 1.00 0.00 C ATOM 0 HA PRO A 44 9.034 -15.497 5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.587 -17.549 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.747 -17.741 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.236 -17.018 8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.128 -18.128 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.026 -15.604 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.345 -16.410 6.529 1.00 0.00 H new ATOM 634 N ARG A 45 8.626 -14.003 7.833 1.00 0.00 N ATOM 635 CA ARG A 45 7.678 -13.305 8.693 1.00 0.00 C ATOM 636 C ARG A 45 7.826 -11.793 8.550 1.00 0.00 C ATOM 637 O ARG A 45 8.940 -11.269 8.518 1.00 0.00 O ATOM 638 CB ARG A 45 7.885 -13.714 10.152 1.00 0.00 C ATOM 639 CG ARG A 45 7.307 -15.078 10.491 1.00 0.00 C ATOM 640 CD ARG A 45 5.830 -14.987 10.841 1.00 0.00 C ATOM 641 NE ARG A 45 5.010 -14.670 9.675 1.00 0.00 N ATOM 642 CZ ARG A 45 3.818 -14.089 9.751 1.00 0.00 C ATOM 643 NH1 ARG A 45 3.310 -13.764 10.932 1.00 0.00 N ATOM 644 NH2 ARG A 45 3.131 -13.832 8.645 1.00 0.00 N ATOM 0 H ARG A 45 9.579 -13.642 7.875 1.00 0.00 H new ATOM 0 HA ARG A 45 6.671 -13.584 8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.953 -13.717 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.428 -12.965 10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.440 -15.751 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.855 -15.508 11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.500 -15.933 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.685 -14.223 11.605 1.00 0.00 H new ATOM 0 HE ARG A 45 5.372 -14.908 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.835 -13.960 11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.394 -13.318 10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.518 -14.081 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.216 -13.386 8.705 1.00 0.00 H new ATOM 658 N SER A 46 6.697 -11.098 8.466 1.00 0.00 N ATOM 659 CA SER A 46 6.701 -9.647 8.322 1.00 0.00 C ATOM 660 C SER A 46 6.148 -8.976 9.576 1.00 0.00 C ATOM 661 O SER A 46 5.442 -9.600 10.368 1.00 0.00 O ATOM 662 CB SER A 46 5.877 -9.231 7.102 1.00 0.00 C ATOM 663 OG SER A 46 6.332 -7.997 6.576 1.00 0.00 O ATOM 0 H SER A 46 5.767 -11.516 8.495 1.00 0.00 H new ATOM 0 HA SER A 46 7.732 -9.324 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.942 -10.003 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.827 -9.146 7.381 1.00 0.00 H new ATOM 0 HG SER A 46 6.227 -7.295 7.251 1.00 0.00 H new ATOM 669 N PHE A 47 6.475 -7.699 9.749 1.00 0.00 N ATOM 670 CA PHE A 47 6.013 -6.942 10.907 1.00 0.00 C ATOM 671 C PHE A 47 4.492 -6.995 11.019 1.00 0.00 C ATOM 672 O PHE A 47 3.816 -7.566 10.165 1.00 0.00 O ATOM 673 CB PHE A 47 6.478 -5.488 10.810 1.00 0.00 C ATOM 674 CG PHE A 47 6.007 -4.789 9.567 1.00 0.00 C ATOM 675 CD1 PHE A 47 6.687 -4.942 8.370 1.00 0.00 C ATOM 676 CD2 PHE A 47 4.883 -3.978 9.596 1.00 0.00 C ATOM 677 CE1 PHE A 47 6.255 -4.301 7.224 1.00 0.00 C ATOM 678 CE2 PHE A 47 4.447 -3.335 8.453 1.00 0.00 C ATOM 679 CZ PHE A 47 5.134 -3.495 7.266 1.00 0.00 C ATOM 0 H PHE A 47 7.058 -7.167 9.102 1.00 0.00 H new ATOM 0 HA PHE A 47 6.442 -7.395 11.801 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.120 -4.941 11.682 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.567 -5.460 10.842 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.565 -5.570 8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.342 -3.847 10.522 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.793 -4.430 6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.569 -2.707 8.488 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.796 -2.991 6.373 1.00 0.00 H new ATOM 689 N MET A 48 3.962 -6.395 12.080 1.00 0.00 N ATOM 690 CA MET A 48 2.522 -6.373 12.305 1.00 0.00 C ATOM 691 C MET A 48 2.026 -4.946 12.513 1.00 0.00 C ATOM 692 O MET A 48 2.819 -4.009 12.596 1.00 0.00 O ATOM 693 CB MET A 48 2.160 -7.233 13.518 1.00 0.00 C ATOM 694 CG MET A 48 2.274 -8.727 13.259 1.00 0.00 C ATOM 695 SD MET A 48 1.717 -9.719 14.659 1.00 0.00 S ATOM 696 CE MET A 48 -0.060 -9.563 14.498 1.00 0.00 C ATOM 0 H MET A 48 4.508 -5.918 12.797 1.00 0.00 H new ATOM 0 HA MET A 48 2.035 -6.783 11.420 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.812 -6.966 14.350 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.140 -7.002 13.825 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.685 -8.985 12.379 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.311 -8.975 13.033 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.550 -10.260 15.178 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.360 -8.544 14.744 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.354 -9.790 13.473 1.00 0.00 H new ATOM 706 N MET A 49 0.709 -4.788 12.597 1.00 0.00 N ATOM 707 CA MET A 49 0.108 -3.474 12.797 1.00 0.00 C ATOM 708 C MET A 49 0.351 -2.976 14.217 1.00 0.00 C ATOM 709 O MET A 49 -0.297 -3.426 15.162 1.00 0.00 O ATOM 710 CB MET A 49 -1.394 -3.529 12.512 1.00 0.00 C ATOM 711 CG MET A 49 -1.730 -3.636 11.034 1.00 0.00 C ATOM 712 SD MET A 49 -1.142 -2.221 10.084 1.00 0.00 S ATOM 713 CE MET A 49 0.213 -2.961 9.176 1.00 0.00 C ATOM 0 H MET A 49 0.038 -5.553 12.530 1.00 0.00 H new ATOM 0 HA MET A 49 0.577 -2.777 12.102 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.824 -4.383 13.036 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.865 -2.635 12.919 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.290 -4.548 10.630 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.810 -3.724 10.916 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.679 -2.208 8.541 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.950 -3.352 9.877 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.165 -3.774 8.557 1.00 0.00 H new ATOM 723 N GLU A 50 1.289 -2.044 14.361 1.00 0.00 N ATOM 724 CA GLU A 50 1.617 -1.486 15.667 1.00 0.00 C ATOM 725 C GLU A 50 0.648 -0.368 16.040 1.00 0.00 C ATOM 726 O GLU A 50 0.879 0.378 16.992 1.00 0.00 O ATOM 727 CB GLU A 50 3.052 -0.956 15.675 1.00 0.00 C ATOM 728 CG GLU A 50 4.105 -2.050 15.612 1.00 0.00 C ATOM 729 CD GLU A 50 4.236 -2.809 16.918 1.00 0.00 C ATOM 730 OE1 GLU A 50 4.211 -2.161 17.986 1.00 0.00 O ATOM 731 OE2 GLU A 50 4.363 -4.050 16.873 1.00 0.00 O ATOM 0 H GLU A 50 1.834 -1.660 13.589 1.00 0.00 H new ATOM 0 HA GLU A 50 1.528 -2.282 16.406 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.187 -0.284 14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.207 -0.365 16.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.851 -2.748 14.814 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.068 -1.608 15.355 1.00 0.00 H new ATOM 738 N VAL A 51 -0.439 -0.257 15.283 1.00 0.00 N ATOM 739 CA VAL A 51 -1.444 0.769 15.532 1.00 0.00 C ATOM 740 C VAL A 51 -0.812 2.156 15.584 1.00 0.00 C ATOM 741 O VAL A 51 -1.087 2.943 16.490 1.00 0.00 O ATOM 742 CB VAL A 51 -2.195 0.510 16.852 1.00 0.00 C ATOM 743 CG1 VAL A 51 -3.454 1.360 16.926 1.00 0.00 C ATOM 744 CG2 VAL A 51 -2.529 -0.967 16.993 1.00 0.00 C ATOM 0 H VAL A 51 -0.646 -0.866 14.491 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.152 0.726 14.705 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.546 0.793 17.681 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.971 1.163 17.865 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.184 2.415 16.874 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.110 1.112 16.092 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.059 -1.132 17.931 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.159 -1.279 16.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.608 -1.550 16.989 1.00 0.00 H new ATOM 754 N LYS A 52 0.036 2.450 14.604 1.00 0.00 N ATOM 755 CA LYS A 52 0.706 3.743 14.534 1.00 0.00 C ATOM 756 C LYS A 52 0.129 4.596 13.409 1.00 0.00 C ATOM 757 O LYS A 52 0.096 5.823 13.502 1.00 0.00 O ATOM 758 CB LYS A 52 2.210 3.550 14.322 1.00 0.00 C ATOM 759 CG LYS A 52 2.571 3.075 12.926 1.00 0.00 C ATOM 760 CD LYS A 52 2.806 4.243 11.983 1.00 0.00 C ATOM 761 CE LYS A 52 4.242 4.739 12.057 1.00 0.00 C ATOM 762 NZ LYS A 52 4.349 6.183 11.709 1.00 0.00 N ATOM 0 H LYS A 52 0.276 1.810 13.847 1.00 0.00 H new ATOM 0 HA LYS A 52 0.541 4.261 15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.720 4.493 14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.581 2.828 15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.468 2.457 12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.770 2.447 12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.577 3.939 10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.125 5.057 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.630 4.578 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.863 4.155 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.343 6.482 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.002 6.333 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.777 6.743 12.372 1.00 0.00 H new ATOM 776 N ASP A 53 -0.326 3.938 12.348 1.00 0.00 N ATOM 777 CA ASP A 53 -0.905 4.636 11.206 1.00 0.00 C ATOM 778 C ASP A 53 -2.411 4.804 11.378 1.00 0.00 C ATOM 779 O ASP A 53 -3.179 3.843 11.314 1.00 0.00 O ATOM 780 CB ASP A 53 -0.608 3.876 9.913 1.00 0.00 C ATOM 781 CG ASP A 53 -0.956 4.680 8.675 1.00 0.00 C ATOM 782 OD1 ASP A 53 -0.314 5.726 8.448 1.00 0.00 O ATOM 783 OD2 ASP A 53 -1.870 4.262 7.935 1.00 0.00 O ATOM 0 H ASP A 53 -0.305 2.922 12.255 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.452 5.626 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.449 3.611 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.171 2.942 9.906 1.00 0.00 H new ATOM 788 N PRO A 54 -2.846 6.053 11.603 1.00 0.00 N ATOM 789 CA PRO A 54 -4.263 6.376 11.790 1.00 0.00 C ATOM 790 C PRO A 54 -5.067 6.223 10.503 1.00 0.00 C ATOM 791 O PRO A 54 -6.222 5.799 10.528 1.00 0.00 O ATOM 792 CB PRO A 54 -4.238 7.841 12.233 1.00 0.00 C ATOM 793 CG PRO A 54 -2.969 8.384 11.673 1.00 0.00 C ATOM 794 CD PRO A 54 -1.987 7.246 11.692 1.00 0.00 C ATOM 0 HA PRO A 54 -4.742 5.708 12.506 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.103 8.384 11.853 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.260 7.927 13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.117 8.754 10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.607 9.222 12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.290 7.303 10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.391 7.245 12.604 1.00 0.00 H new ATOM 802 N ASN A 55 -4.448 6.570 9.379 1.00 0.00 N ATOM 803 CA ASN A 55 -5.107 6.471 8.082 1.00 0.00 C ATOM 804 C ASN A 55 -5.992 5.230 8.014 1.00 0.00 C ATOM 805 O ASN A 55 -6.961 5.222 7.257 1.00 0.00 O ATOM 806 CB ASN A 55 -4.067 6.431 6.960 1.00 0.00 C ATOM 807 CG ASN A 55 -3.650 7.817 6.509 1.00 0.00 C ATOM 808 OD1 ASN A 55 -2.884 8.499 7.190 1.00 0.00 O ATOM 809 ND2 ASN A 55 -4.153 8.240 5.355 1.00 0.00 N ATOM 0 H ASN A 55 -3.491 6.922 9.340 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.736 7.352 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.189 5.883 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.474 5.883 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.908 9.164 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.785 7.641 4.824 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.977 -10.940 -8.662 1.00 0.00 ZN