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 Set 1.1: A 5 SER OG : rot 162:sc= 0.445 USER MOD Set 1.2: A 9 THR OG1 : rot -29:sc= 0.781 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0986 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 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 41:sc= 0.0289 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.318 (180deg=-1.53!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.16! C(o=-2.2!,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 26 ASN : amide:sc= -5.24! C(o=-5.2!,f=-8.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0565 K(o=-0.056,f=-1.4) USER MOD Single : A 33 SER OG : rot 140:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0109 (180deg=-0.495) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -170:sc= -0.135 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.106 X(o=-0.11,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.932 -7.209 -4.890 1.00 0.00 N ATOM 2 CA GLY A 1 0.925 -7.873 -4.083 1.00 0.00 C ATOM 3 C GLY A 1 0.106 -6.898 -3.260 1.00 0.00 C ATOM 4 O GLY A 1 0.190 -5.686 -3.457 1.00 0.00 O ATOM 0 H1 GLY A 1 1.813 -7.482 -5.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.826 -6.178 -4.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.879 -7.490 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.261 -8.443 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.410 -8.587 -3.418 1.00 0.00 H new ATOM 8 N SER A 2 -0.691 -7.428 -2.338 1.00 0.00 N ATOM 9 CA SER A 2 -1.534 -6.597 -1.487 1.00 0.00 C ATOM 10 C SER A 2 -1.089 -6.684 -0.030 1.00 0.00 C ATOM 11 O SER A 2 -1.199 -7.735 0.602 1.00 0.00 O ATOM 12 CB SER A 2 -2.998 -7.022 -1.611 1.00 0.00 C ATOM 13 OG SER A 2 -3.832 -6.227 -0.786 1.00 0.00 O ATOM 0 H SER A 2 -0.771 -8.429 -2.161 1.00 0.00 H new ATOM 0 HA SER A 2 -1.434 -5.563 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.319 -6.935 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.100 -8.071 -1.333 1.00 0.00 H new ATOM 0 HG SER A 2 -4.763 -6.518 -0.885 1.00 0.00 H new ATOM 19 N SER A 3 -0.585 -5.572 0.496 1.00 0.00 N ATOM 20 CA SER A 3 -0.119 -5.523 1.877 1.00 0.00 C ATOM 21 C SER A 3 -0.993 -4.592 2.712 1.00 0.00 C ATOM 22 O SER A 3 -1.271 -4.864 3.880 1.00 0.00 O ATOM 23 CB SER A 3 1.338 -5.058 1.930 1.00 0.00 C ATOM 24 OG SER A 3 2.164 -5.879 1.123 1.00 0.00 O ATOM 0 H SER A 3 -0.489 -4.693 -0.013 1.00 0.00 H new ATOM 0 HA SER A 3 -0.187 -6.528 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.406 -4.024 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.693 -5.080 2.960 1.00 0.00 H new ATOM 0 HG SER A 3 3.090 -5.561 1.172 1.00 0.00 H new ATOM 30 N GLY A 4 -1.422 -3.490 2.104 1.00 0.00 N ATOM 31 CA GLY A 4 -2.260 -2.534 2.806 1.00 0.00 C ATOM 32 C GLY A 4 -3.322 -1.928 1.910 1.00 0.00 C ATOM 33 O GLY A 4 -3.232 -0.760 1.532 1.00 0.00 O ATOM 0 H GLY A 4 -1.205 -3.242 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.740 -3.028 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.636 -1.739 3.214 1.00 0.00 H new ATOM 37 N SER A 5 -4.331 -2.723 1.569 1.00 0.00 N ATOM 38 CA SER A 5 -5.412 -2.259 0.708 1.00 0.00 C ATOM 39 C SER A 5 -6.123 -1.060 1.327 1.00 0.00 C ATOM 40 O SER A 5 -6.481 -1.076 2.504 1.00 0.00 O ATOM 41 CB SER A 5 -6.414 -3.388 0.459 1.00 0.00 C ATOM 42 OG SER A 5 -7.510 -2.936 -0.318 1.00 0.00 O ATOM 0 H SER A 5 -4.422 -3.691 1.876 1.00 0.00 H new ATOM 0 HA SER A 5 -4.979 -1.951 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.917 -4.213 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.775 -3.775 1.412 1.00 0.00 H new ATOM 0 HG SER A 5 -7.978 -3.706 -0.702 1.00 0.00 H new ATOM 48 N SER A 6 -6.323 -0.020 0.524 1.00 0.00 N ATOM 49 CA SER A 6 -6.988 1.191 0.992 1.00 0.00 C ATOM 50 C SER A 6 -8.480 0.947 1.198 1.00 0.00 C ATOM 51 O SER A 6 -9.005 1.128 2.296 1.00 0.00 O ATOM 52 CB SER A 6 -6.779 2.331 -0.006 1.00 0.00 C ATOM 53 OG SER A 6 -5.400 2.580 -0.214 1.00 0.00 O ATOM 0 H SER A 6 -6.034 0.009 -0.454 1.00 0.00 H new ATOM 0 HA SER A 6 -6.548 1.470 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.253 2.080 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.263 3.235 0.363 1.00 0.00 H new ATOM 0 HG SER A 6 -5.293 3.312 -0.857 1.00 0.00 H new ATOM 59 N GLY A 7 -9.158 0.534 0.132 1.00 0.00 N ATOM 60 CA GLY A 7 -10.583 0.271 0.215 1.00 0.00 C ATOM 61 C GLY A 7 -10.917 -1.192 -0.001 1.00 0.00 C ATOM 62 O GLY A 7 -10.036 -2.051 0.053 1.00 0.00 O ATOM 0 H GLY A 7 -8.746 0.377 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.951 0.584 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.104 0.873 -0.529 1.00 0.00 H new ATOM 66 N TYR A 8 -12.191 -1.477 -0.244 1.00 0.00 N ATOM 67 CA TYR A 8 -12.640 -2.846 -0.464 1.00 0.00 C ATOM 68 C TYR A 8 -11.801 -3.528 -1.541 1.00 0.00 C ATOM 69 O TYR A 8 -10.925 -2.910 -2.147 1.00 0.00 O ATOM 70 CB TYR A 8 -14.116 -2.864 -0.863 1.00 0.00 C ATOM 71 CG TYR A 8 -14.340 -2.780 -2.356 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.315 -3.921 -3.148 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.576 -1.558 -2.976 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.519 -3.849 -4.512 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.782 -1.477 -4.339 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.752 -2.625 -5.103 1.00 0.00 C ATOM 77 OH TYR A 8 -14.955 -2.548 -6.462 1.00 0.00 O ATOM 0 H TYR A 8 -12.932 -0.777 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.517 -3.396 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.575 -3.778 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.625 -2.030 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.133 -4.881 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.599 -0.657 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.496 -4.746 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.966 -0.520 -4.804 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.519 -3.295 -6.751 1.00 0.00 H new ATOM 87 N THR A 9 -12.078 -4.807 -1.776 1.00 0.00 N ATOM 88 CA THR A 9 -11.350 -5.574 -2.779 1.00 0.00 C ATOM 89 C THR A 9 -12.103 -6.847 -3.150 1.00 0.00 C ATOM 90 O THR A 9 -12.880 -7.375 -2.355 1.00 0.00 O ATOM 91 CB THR A 9 -9.940 -5.951 -2.285 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.297 -4.803 -1.720 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.097 -6.501 -3.425 1.00 0.00 C ATOM 0 H THR A 9 -12.801 -5.333 -1.285 1.00 0.00 H new ATOM 0 HA THR A 9 -11.260 -4.938 -3.659 1.00 0.00 H new ATOM 0 HB THR A 9 -10.040 -6.724 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.637 -3.992 -2.152 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.106 -6.760 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.575 -7.391 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.005 -5.747 -4.206 1.00 0.00 H new ATOM 101 N CYS A 10 -11.867 -7.336 -4.363 1.00 0.00 N ATOM 102 CA CYS A 10 -12.522 -8.547 -4.841 1.00 0.00 C ATOM 103 C CYS A 10 -12.347 -9.689 -3.844 1.00 0.00 C ATOM 104 O CYS A 10 -11.239 -10.187 -3.642 1.00 0.00 O ATOM 105 CB CYS A 10 -11.959 -8.954 -6.203 1.00 0.00 C ATOM 106 SG CYS A 10 -12.640 -10.513 -6.855 1.00 0.00 S ATOM 0 H CYS A 10 -11.226 -6.911 -5.033 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.587 -8.337 -4.944 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.157 -8.156 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.876 -9.049 -6.123 1.00 0.00 H new ATOM 111 N PHE A 11 -13.448 -10.100 -3.224 1.00 0.00 N ATOM 112 CA PHE A 11 -13.417 -11.183 -2.247 1.00 0.00 C ATOM 113 C PHE A 11 -13.216 -12.530 -2.936 1.00 0.00 C ATOM 114 O PHE A 11 -13.090 -13.563 -2.277 1.00 0.00 O ATOM 115 CB PHE A 11 -14.712 -11.201 -1.433 1.00 0.00 C ATOM 116 CG PHE A 11 -14.664 -12.129 -0.252 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.762 -11.915 0.777 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.522 -13.213 -0.172 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.716 -12.767 1.864 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.481 -14.069 0.913 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.577 -13.845 1.933 1.00 0.00 C ATOM 0 H PHE A 11 -14.373 -9.700 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.577 -11.010 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.926 -10.191 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.536 -11.495 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.087 -11.073 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.231 -13.392 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.007 -12.590 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.155 -14.912 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.543 -14.511 2.782 1.00 0.00 H new ATOM 131 N ARG A 12 -13.189 -12.511 -4.264 1.00 0.00 N ATOM 132 CA ARG A 12 -13.006 -13.730 -5.043 1.00 0.00 C ATOM 133 C ARG A 12 -11.532 -14.115 -5.110 1.00 0.00 C ATOM 134 O ARG A 12 -11.115 -15.122 -4.537 1.00 0.00 O ATOM 135 CB ARG A 12 -13.562 -13.546 -6.456 1.00 0.00 C ATOM 136 CG ARG A 12 -13.970 -14.849 -7.124 1.00 0.00 C ATOM 137 CD ARG A 12 -14.723 -14.598 -8.421 1.00 0.00 C ATOM 138 NE ARG A 12 -15.109 -15.843 -9.080 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.145 -16.583 -8.703 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.896 -16.205 -7.678 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.433 -17.704 -9.353 1.00 0.00 N ATOM 0 H ARG A 12 -13.292 -11.664 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.551 -14.534 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.426 -12.883 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.811 -13.052 -7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.083 -15.448 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.596 -15.427 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.615 -14.006 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.099 -14.010 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.552 -16.161 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.679 -15.344 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.691 -16.775 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.858 -17.998 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.229 -18.272 -9.063 1.00 0.00 H new ATOM 155 N CYS A 13 -10.746 -13.308 -5.815 1.00 0.00 N ATOM 156 CA CYS A 13 -9.318 -13.564 -5.960 1.00 0.00 C ATOM 157 C CYS A 13 -8.513 -12.729 -4.968 1.00 0.00 C ATOM 158 O CYS A 13 -7.420 -13.117 -4.557 1.00 0.00 O ATOM 159 CB CYS A 13 -8.865 -13.256 -7.388 1.00 0.00 C ATOM 160 SG CYS A 13 -8.980 -11.496 -7.842 1.00 0.00 S ATOM 0 H CYS A 13 -11.075 -12.470 -6.295 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.140 -14.619 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.833 -13.585 -7.509 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.469 -13.840 -8.083 1.00 0.00 H new ATOM 165 N GLY A 14 -9.062 -11.580 -4.587 1.00 0.00 N ATOM 166 CA GLY A 14 -8.382 -10.708 -3.647 1.00 0.00 C ATOM 167 C GLY A 14 -7.581 -9.623 -4.338 1.00 0.00 C ATOM 168 O GLY A 14 -6.499 -9.253 -3.882 1.00 0.00 O ATOM 0 H GLY A 14 -9.966 -11.237 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.117 -10.248 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.717 -11.302 -3.020 1.00 0.00 H new ATOM 172 N LYS A 15 -8.111 -9.111 -5.444 1.00 0.00 N ATOM 173 CA LYS A 15 -7.439 -8.062 -6.201 1.00 0.00 C ATOM 174 C LYS A 15 -8.338 -6.838 -6.349 1.00 0.00 C ATOM 175 O LYS A 15 -9.522 -6.942 -6.668 1.00 0.00 O ATOM 176 CB LYS A 15 -7.034 -8.581 -7.582 1.00 0.00 C ATOM 177 CG LYS A 15 -5.897 -9.587 -7.544 1.00 0.00 C ATOM 178 CD LYS A 15 -4.542 -8.899 -7.587 1.00 0.00 C ATOM 179 CE LYS A 15 -4.130 -8.569 -9.013 1.00 0.00 C ATOM 180 NZ LYS A 15 -4.571 -7.206 -9.417 1.00 0.00 N ATOM 0 H LYS A 15 -9.005 -9.406 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.543 -7.769 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.900 -9.042 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.741 -7.737 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.972 -10.188 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.986 -10.270 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.579 -7.983 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.791 -9.543 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.046 -8.642 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.557 -9.305 -9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.893 -6.810 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.512 -7.262 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.617 -6.593 -8.578 1.00 0.00 H new ATOM 194 N PRO A 16 -7.763 -5.649 -6.115 1.00 0.00 N ATOM 195 CA PRO A 16 -8.493 -4.382 -6.219 1.00 0.00 C ATOM 196 C PRO A 16 -8.850 -4.035 -7.660 1.00 0.00 C ATOM 197 O PRO A 16 -8.487 -4.754 -8.590 1.00 0.00 O ATOM 198 CB PRO A 16 -7.508 -3.357 -5.651 1.00 0.00 C ATOM 199 CG PRO A 16 -6.165 -3.964 -5.865 1.00 0.00 C ATOM 200 CD PRO A 16 -6.355 -5.449 -5.731 1.00 0.00 C ATOM 0 HA PRO A 16 -9.446 -4.417 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.595 -2.398 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.695 -3.172 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.774 -3.708 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.449 -3.595 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.678 -6.001 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.164 -5.788 -4.713 1.00 0.00 H new ATOM 208 N GLY A 17 -9.564 -2.928 -7.839 1.00 0.00 N ATOM 209 CA GLY A 17 -9.958 -2.505 -9.170 1.00 0.00 C ATOM 210 C GLY A 17 -11.303 -3.069 -9.583 1.00 0.00 C ATOM 211 O GLY A 17 -12.071 -2.411 -10.286 1.00 0.00 O ATOM 0 H GLY A 17 -9.877 -2.316 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.998 -1.416 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.200 -2.820 -9.887 1.00 0.00 H new ATOM 215 N HIS A 18 -11.590 -4.291 -9.147 1.00 0.00 N ATOM 216 CA HIS A 18 -12.852 -4.944 -9.477 1.00 0.00 C ATOM 217 C HIS A 18 -13.479 -5.572 -8.236 1.00 0.00 C ATOM 218 O HIS A 18 -12.890 -5.557 -7.155 1.00 0.00 O ATOM 219 CB HIS A 18 -12.633 -6.013 -10.548 1.00 0.00 C ATOM 220 CG HIS A 18 -11.783 -7.157 -10.088 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.408 -7.163 -10.192 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.121 -8.337 -9.517 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.937 -8.297 -9.706 1.00 0.00 C ATOM 224 NE2 HIS A 18 -10.956 -9.027 -9.290 1.00 0.00 N ATOM 0 H HIS A 18 -10.966 -4.849 -8.564 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.534 -4.187 -9.864 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.601 -6.397 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.167 -5.552 -11.419 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.843 -6.409 -10.583 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.121 -8.673 -9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.896 -8.579 -9.657 1.00 0.00 H new ATOM 232 N TYR A 19 -14.678 -6.121 -8.399 1.00 0.00 N ATOM 233 CA TYR A 19 -15.387 -6.751 -7.291 1.00 0.00 C ATOM 234 C TYR A 19 -15.635 -8.229 -7.574 1.00 0.00 C ATOM 235 O TYR A 19 -15.556 -8.675 -8.718 1.00 0.00 O ATOM 236 CB TYR A 19 -16.716 -6.038 -7.037 1.00 0.00 C ATOM 237 CG TYR A 19 -17.288 -5.369 -8.266 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.577 -4.384 -8.940 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.541 -5.721 -8.753 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.096 -3.769 -10.064 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.067 -5.113 -9.877 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.341 -4.138 -10.528 1.00 0.00 C ATOM 243 OH TYR A 19 -18.863 -3.528 -11.646 1.00 0.00 O ATOM 0 H TYR A 19 -15.179 -6.142 -9.287 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.764 -6.670 -6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.439 -6.760 -6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.574 -5.289 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.601 -4.094 -8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.113 -6.483 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.530 -3.004 -10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.042 -5.400 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.747 -3.903 -11.841 1.00 0.00 H new ATOM 253 N ILE A 20 -15.938 -8.983 -6.522 1.00 0.00 N ATOM 254 CA ILE A 20 -16.200 -10.410 -6.656 1.00 0.00 C ATOM 255 C ILE A 20 -17.257 -10.677 -7.723 1.00 0.00 C ATOM 256 O ILE A 20 -17.335 -11.775 -8.275 1.00 0.00 O ATOM 257 CB ILE A 20 -16.667 -11.025 -5.323 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.006 -12.505 -5.510 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.869 -10.265 -4.782 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.757 -13.342 -4.275 1.00 0.00 C ATOM 0 H ILE A 20 -16.008 -8.629 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.261 -10.876 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.856 -10.946 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.054 -12.596 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.415 -12.904 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.188 -10.711 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.596 -9.223 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.686 -10.316 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.019 -14.380 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.704 -13.281 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.368 -12.969 -3.453 1.00 0.00 H new ATOM 272 N LYS A 21 -18.067 -9.665 -8.012 1.00 0.00 N ATOM 273 CA LYS A 21 -19.118 -9.787 -9.016 1.00 0.00 C ATOM 274 C LYS A 21 -18.595 -9.411 -10.399 1.00 0.00 C ATOM 275 O LYS A 21 -19.059 -9.934 -11.411 1.00 0.00 O ATOM 276 CB LYS A 21 -20.308 -8.897 -8.649 1.00 0.00 C ATOM 277 CG LYS A 21 -20.485 -8.704 -7.153 1.00 0.00 C ATOM 278 CD LYS A 21 -21.623 -7.745 -6.845 1.00 0.00 C ATOM 279 CE LYS A 21 -22.307 -8.095 -5.533 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.512 -7.253 -5.294 1.00 0.00 N ATOM 0 H LYS A 21 -18.016 -8.750 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.444 -10.827 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.181 -7.922 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.218 -9.334 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.682 -9.667 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.559 -8.322 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.238 -6.726 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.352 -7.772 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.595 -9.146 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.604 -7.964 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.950 -7.522 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.234 -6.251 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.194 -7.397 -6.066 1.00 0.00 H new ATOM 294 N ASN A 22 -17.626 -8.502 -10.433 1.00 0.00 N ATOM 295 CA ASN A 22 -17.040 -8.058 -11.693 1.00 0.00 C ATOM 296 C ASN A 22 -15.651 -8.657 -11.888 1.00 0.00 C ATOM 297 O ASN A 22 -14.879 -8.202 -12.733 1.00 0.00 O ATOM 298 CB ASN A 22 -16.958 -6.530 -11.730 1.00 0.00 C ATOM 299 CG ASN A 22 -16.147 -6.023 -12.906 1.00 0.00 C ATOM 300 OD1 ASN A 22 -16.506 -6.242 -14.063 1.00 0.00 O ATOM 301 ND2 ASN A 22 -15.045 -5.341 -12.614 1.00 0.00 N ATOM 0 H ASN A 22 -17.230 -8.059 -9.604 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.682 -8.401 -12.505 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.965 -6.116 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.512 -6.170 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.458 -4.975 -13.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.786 -5.183 -11.640 1.00 0.00 H new ATOM 308 N CYS A 23 -15.338 -9.681 -11.101 1.00 0.00 N ATOM 309 CA CYS A 23 -14.043 -10.344 -11.186 1.00 0.00 C ATOM 310 C CYS A 23 -13.901 -11.095 -12.507 1.00 0.00 C ATOM 311 O CYS A 23 -14.813 -11.790 -12.956 1.00 0.00 O ATOM 312 CB CYS A 23 -13.864 -11.313 -10.015 1.00 0.00 C ATOM 313 SG CYS A 23 -12.249 -12.156 -9.986 1.00 0.00 S ATOM 0 H CYS A 23 -15.965 -10.070 -10.396 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.268 -9.579 -11.138 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.993 -10.765 -9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.653 -12.064 -10.055 1.00 0.00 H new ATOM 318 N PRO A 24 -12.731 -10.952 -13.146 1.00 0.00 N ATOM 319 CA PRO A 24 -12.441 -11.608 -14.424 1.00 0.00 C ATOM 320 C PRO A 24 -12.289 -13.119 -14.279 1.00 0.00 C ATOM 321 O PRO A 24 -12.819 -13.887 -15.082 1.00 0.00 O ATOM 322 CB PRO A 24 -11.115 -10.976 -14.855 1.00 0.00 C ATOM 323 CG PRO A 24 -10.474 -10.536 -13.585 1.00 0.00 C ATOM 324 CD PRO A 24 -11.599 -10.138 -12.670 1.00 0.00 C ATOM 0 HA PRO A 24 -13.248 -11.471 -15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.489 -11.693 -15.387 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.278 -10.134 -15.528 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.881 -11.340 -13.148 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.797 -9.699 -13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.363 -10.349 -11.627 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.814 -9.072 -12.738 1.00 0.00 H new ATOM 332 N THR A 25 -11.562 -13.539 -13.248 1.00 0.00 N ATOM 333 CA THR A 25 -11.340 -14.957 -12.997 1.00 0.00 C ATOM 334 C THR A 25 -12.607 -15.766 -13.251 1.00 0.00 C ATOM 335 O THR A 25 -12.544 -16.922 -13.664 1.00 0.00 O ATOM 336 CB THR A 25 -10.866 -15.205 -11.553 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.944 -14.978 -10.638 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.697 -14.297 -11.203 1.00 0.00 C ATOM 0 H THR A 25 -11.117 -12.917 -12.573 1.00 0.00 H new ATOM 0 HA THR A 25 -10.561 -15.281 -13.687 1.00 0.00 H new ATOM 0 HB THR A 25 -10.536 -16.241 -11.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.243 -14.047 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.380 -14.491 -10.178 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.868 -14.493 -11.883 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.004 -13.255 -11.297 1.00 0.00 H new ATOM 346 N ASN A 26 -13.757 -15.148 -13.000 1.00 0.00 N ATOM 347 CA ASN A 26 -15.040 -15.812 -13.201 1.00 0.00 C ATOM 348 C ASN A 26 -15.132 -16.405 -14.603 1.00 0.00 C ATOM 349 O ASN A 26 -15.369 -15.691 -15.577 1.00 0.00 O ATOM 350 CB ASN A 26 -16.188 -14.826 -12.976 1.00 0.00 C ATOM 351 CG ASN A 26 -16.529 -14.660 -11.508 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.126 -15.544 -10.894 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.151 -13.522 -10.938 1.00 0.00 N ATOM 0 H ASN A 26 -13.827 -14.190 -12.658 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.119 -16.623 -12.477 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.918 -13.857 -13.395 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.071 -15.171 -13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.354 -13.353 -9.953 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.658 -12.817 -11.485 1.00 0.00 H new ATOM 360 N GLY A 27 -14.943 -17.718 -14.698 1.00 0.00 N ATOM 361 CA GLY A 27 -15.008 -18.386 -15.985 1.00 0.00 C ATOM 362 C GLY A 27 -13.663 -18.435 -16.682 1.00 0.00 C ATOM 363 O GLY A 27 -13.586 -18.322 -17.906 1.00 0.00 O ATOM 0 H GLY A 27 -14.746 -18.331 -13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.378 -19.402 -15.845 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.726 -17.870 -16.623 1.00 0.00 H new ATOM 367 N ASP A 28 -12.600 -18.601 -15.903 1.00 0.00 N ATOM 368 CA ASP A 28 -11.251 -18.663 -16.453 1.00 0.00 C ATOM 369 C ASP A 28 -10.589 -19.996 -16.117 1.00 0.00 C ATOM 370 O ASP A 28 -10.343 -20.304 -14.950 1.00 0.00 O ATOM 371 CB ASP A 28 -10.404 -17.509 -15.915 1.00 0.00 C ATOM 372 CG ASP A 28 -9.337 -17.068 -16.896 1.00 0.00 C ATOM 373 OD1 ASP A 28 -8.957 -17.880 -17.766 1.00 0.00 O ATOM 374 OD2 ASP A 28 -8.881 -15.909 -16.796 1.00 0.00 O ATOM 0 H ASP A 28 -12.646 -18.695 -14.888 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.322 -18.576 -17.537 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.052 -16.664 -15.683 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.931 -17.814 -14.981 1.00 0.00 H new ATOM 379 N LYS A 29 -10.303 -20.785 -17.148 1.00 0.00 N ATOM 380 CA LYS A 29 -9.669 -22.085 -16.964 1.00 0.00 C ATOM 381 C LYS A 29 -8.399 -21.958 -16.128 1.00 0.00 C ATOM 382 O LYS A 29 -8.015 -22.888 -15.421 1.00 0.00 O ATOM 383 CB LYS A 29 -9.338 -22.710 -18.321 1.00 0.00 C ATOM 384 CG LYS A 29 -8.255 -21.969 -19.085 1.00 0.00 C ATOM 385 CD LYS A 29 -7.461 -22.907 -19.979 1.00 0.00 C ATOM 386 CE LYS A 29 -6.028 -22.429 -20.155 1.00 0.00 C ATOM 387 NZ LYS A 29 -5.149 -23.500 -20.700 1.00 0.00 N ATOM 0 H LYS A 29 -10.501 -20.546 -18.120 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.369 -22.731 -16.434 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.022 -23.742 -18.169 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.243 -22.740 -18.928 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.708 -21.184 -19.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.582 -21.480 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.461 -23.909 -19.549 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.944 -22.978 -20.953 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.012 -21.570 -20.825 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.637 -22.092 -19.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.181 -23.135 -20.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.144 -24.310 -20.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.507 -23.804 -21.628 1.00 0.00 H new ATOM 401 N ASN A 30 -7.753 -20.799 -16.214 1.00 0.00 N ATOM 402 CA ASN A 30 -6.527 -20.550 -15.464 1.00 0.00 C ATOM 403 C ASN A 30 -6.741 -20.794 -13.974 1.00 0.00 C ATOM 404 O ASN A 30 -5.878 -21.350 -13.294 1.00 0.00 O ATOM 405 CB ASN A 30 -6.046 -19.116 -15.694 1.00 0.00 C ATOM 406 CG ASN A 30 -5.247 -18.972 -16.975 1.00 0.00 C ATOM 407 OD1 ASN A 30 -5.614 -19.522 -18.014 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.147 -18.231 -16.905 1.00 0.00 N ATOM 0 H ASN A 30 -8.058 -20.018 -16.795 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.765 -21.243 -15.821 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.907 -18.448 -15.729 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.433 -18.802 -14.849 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.568 -18.099 -17.734 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.882 -17.794 -16.022 1.00 0.00 H new ATOM 415 N PHE A 31 -7.899 -20.376 -13.472 1.00 0.00 N ATOM 416 CA PHE A 31 -8.227 -20.548 -12.062 1.00 0.00 C ATOM 417 C PHE A 31 -9.282 -21.635 -11.878 1.00 0.00 C ATOM 418 O PHE A 31 -9.766 -22.215 -12.850 1.00 0.00 O ATOM 419 CB PHE A 31 -8.728 -19.230 -11.468 1.00 0.00 C ATOM 420 CG PHE A 31 -7.634 -18.377 -10.894 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.024 -18.722 -9.699 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.215 -17.230 -11.549 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.017 -17.938 -9.167 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.208 -16.442 -11.022 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.608 -16.798 -9.831 1.00 0.00 C ATOM 0 H PHE A 31 -8.625 -19.916 -14.021 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.321 -20.853 -11.539 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.249 -18.667 -12.242 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.457 -19.447 -10.687 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.339 -19.614 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.680 -16.948 -12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.551 -18.217 -8.233 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.892 -15.550 -11.541 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.820 -16.186 -9.419 1.00 0.00 H new ATOM 435 N GLU A 32 -9.633 -21.905 -10.625 1.00 0.00 N ATOM 436 CA GLU A 32 -10.630 -22.923 -10.313 1.00 0.00 C ATOM 437 C GLU A 32 -10.184 -24.293 -10.818 1.00 0.00 C ATOM 438 O GLU A 32 -10.984 -25.058 -11.356 1.00 0.00 O ATOM 439 CB GLU A 32 -11.979 -22.554 -10.933 1.00 0.00 C ATOM 440 CG GLU A 32 -12.784 -21.572 -10.097 1.00 0.00 C ATOM 441 CD GLU A 32 -14.175 -21.337 -10.653 1.00 0.00 C ATOM 442 OE1 GLU A 32 -14.744 -22.278 -11.245 1.00 0.00 O ATOM 443 OE2 GLU A 32 -14.694 -20.212 -10.496 1.00 0.00 O ATOM 0 H GLU A 32 -9.242 -21.433 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.737 -22.971 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.810 -22.125 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.565 -23.462 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.863 -21.948 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.252 -20.622 -10.046 1.00 0.00 H new ATOM 450 N SER A 33 -8.901 -24.594 -10.641 1.00 0.00 N ATOM 451 CA SER A 33 -8.347 -25.868 -11.082 1.00 0.00 C ATOM 452 C SER A 33 -8.607 -26.960 -10.048 1.00 0.00 C ATOM 453 O SER A 33 -9.275 -27.954 -10.332 1.00 0.00 O ATOM 454 CB SER A 33 -6.844 -25.735 -11.333 1.00 0.00 C ATOM 455 OG SER A 33 -6.377 -26.766 -12.186 1.00 0.00 O ATOM 0 H SER A 33 -8.226 -23.972 -10.195 1.00 0.00 H new ATOM 0 HA SER A 33 -8.840 -26.148 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.631 -24.764 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.309 -25.773 -10.384 1.00 0.00 H new ATOM 0 HG SER A 33 -5.724 -26.398 -12.818 1.00 0.00 H new ATOM 461 N GLY A 34 -8.073 -26.767 -8.846 1.00 0.00 N ATOM 462 CA GLY A 34 -8.257 -27.743 -7.787 1.00 0.00 C ATOM 463 C GLY A 34 -7.020 -27.906 -6.927 1.00 0.00 C ATOM 464 O GLY A 34 -6.299 -26.946 -6.651 1.00 0.00 O ATOM 0 H GLY A 34 -7.516 -25.953 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.095 -27.440 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.520 -28.705 -8.226 1.00 0.00 H new ATOM 468 N PRO A 35 -6.759 -29.146 -6.487 1.00 0.00 N ATOM 469 CA PRO A 35 -5.601 -29.460 -5.646 1.00 0.00 C ATOM 470 C PRO A 35 -4.284 -29.347 -6.407 1.00 0.00 C ATOM 471 O PRO A 35 -3.236 -29.086 -5.817 1.00 0.00 O ATOM 472 CB PRO A 35 -5.852 -30.909 -5.223 1.00 0.00 C ATOM 473 CG PRO A 35 -6.715 -31.473 -6.298 1.00 0.00 C ATOM 474 CD PRO A 35 -7.575 -30.337 -6.778 1.00 0.00 C ATOM 0 HA PRO A 35 -5.506 -28.768 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.918 -31.463 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.345 -30.958 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.112 -31.876 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.326 -32.292 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.797 -30.422 -7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.531 -30.307 -6.255 1.00 0.00 H new ATOM 482 N ARG A 36 -4.346 -29.546 -7.719 1.00 0.00 N ATOM 483 CA ARG A 36 -3.157 -29.467 -8.560 1.00 0.00 C ATOM 484 C ARG A 36 -3.442 -28.671 -9.830 1.00 0.00 C ATOM 485 O ARG A 36 -4.362 -28.992 -10.583 1.00 0.00 O ATOM 486 CB ARG A 36 -2.671 -30.871 -8.925 1.00 0.00 C ATOM 487 CG ARG A 36 -1.177 -30.946 -9.198 1.00 0.00 C ATOM 488 CD ARG A 36 -0.830 -32.145 -10.066 1.00 0.00 C ATOM 489 NE ARG A 36 -1.491 -32.089 -11.367 1.00 0.00 N ATOM 490 CZ ARG A 36 -1.008 -31.420 -12.408 1.00 0.00 C ATOM 491 NH1 ARG A 36 0.133 -30.753 -12.301 1.00 0.00 N ATOM 492 NH2 ARG A 36 -1.668 -31.417 -13.560 1.00 0.00 N ATOM 0 H ARG A 36 -5.206 -29.763 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.377 -28.954 -7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.918 -31.555 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.211 -31.215 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.850 -30.031 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.636 -31.010 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.250 -32.188 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.120 -33.061 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.371 -32.591 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.643 -30.753 -11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.501 -30.240 -13.102 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.546 -31.929 -13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.297 -30.903 -14.359 1.00 0.00 H new ATOM 506 N ILE A 37 -2.647 -27.631 -10.061 1.00 0.00 N ATOM 507 CA ILE A 37 -2.814 -26.790 -11.239 1.00 0.00 C ATOM 508 C ILE A 37 -1.781 -27.130 -12.308 1.00 0.00 C ATOM 509 O ILE A 37 -0.689 -27.610 -12.002 1.00 0.00 O ATOM 510 CB ILE A 37 -2.696 -25.295 -10.885 1.00 0.00 C ATOM 511 CG1 ILE A 37 -2.953 -24.434 -12.123 1.00 0.00 C ATOM 512 CG2 ILE A 37 -1.324 -24.996 -10.300 1.00 0.00 C ATOM 513 CD1 ILE A 37 -3.335 -23.007 -11.798 1.00 0.00 C ATOM 0 H ILE A 37 -1.881 -27.351 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.814 -26.986 -11.627 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.449 -25.053 -10.135 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.058 -24.429 -12.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.748 -24.889 -12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.256 -23.936 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.177 -25.587 -9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.554 -25.250 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.502 -22.455 -12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.248 -23.001 -11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.531 -22.534 -11.234 1.00 0.00 H new ATOM 525 N LYS A 38 -2.132 -26.876 -13.564 1.00 0.00 N ATOM 526 CA LYS A 38 -1.235 -27.152 -14.681 1.00 0.00 C ATOM 527 C LYS A 38 -0.253 -26.002 -14.887 1.00 0.00 C ATOM 528 O LYS A 38 0.937 -26.222 -15.114 1.00 0.00 O ATOM 529 CB LYS A 38 -2.039 -27.386 -15.962 1.00 0.00 C ATOM 530 CG LYS A 38 -2.856 -26.182 -16.395 1.00 0.00 C ATOM 531 CD LYS A 38 -2.065 -25.276 -17.324 1.00 0.00 C ATOM 532 CE LYS A 38 -2.268 -25.659 -18.782 1.00 0.00 C ATOM 533 NZ LYS A 38 -1.245 -26.636 -19.246 1.00 0.00 N ATOM 0 H LYS A 38 -3.032 -26.479 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.668 -28.053 -14.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.355 -27.659 -16.766 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.708 -28.233 -15.812 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.763 -26.518 -16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.170 -25.619 -15.516 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.371 -24.241 -17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.005 -25.334 -17.076 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.263 -26.086 -18.910 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.223 -24.764 -19.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.194 -26.618 -20.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.318 -26.382 -18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.508 -27.591 -18.929 1.00 0.00 H new ATOM 547 N LYS A 39 -0.759 -24.777 -14.805 1.00 0.00 N ATOM 548 CA LYS A 39 0.073 -23.592 -14.980 1.00 0.00 C ATOM 549 C LYS A 39 0.884 -23.306 -13.720 1.00 0.00 C ATOM 550 O LYS A 39 0.332 -23.215 -12.623 1.00 0.00 O ATOM 551 CB LYS A 39 -0.796 -22.380 -15.326 1.00 0.00 C ATOM 552 CG LYS A 39 -0.028 -21.070 -15.353 1.00 0.00 C ATOM 553 CD LYS A 39 -0.935 -19.899 -15.695 1.00 0.00 C ATOM 554 CE LYS A 39 -1.708 -19.418 -14.477 1.00 0.00 C ATOM 555 NZ LYS A 39 -0.927 -18.435 -13.677 1.00 0.00 N ATOM 0 H LYS A 39 -1.742 -24.578 -14.618 1.00 0.00 H new ATOM 0 HA LYS A 39 0.764 -23.782 -15.801 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.258 -22.541 -16.300 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.604 -22.303 -14.599 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.437 -20.900 -14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.777 -21.134 -16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.338 -19.080 -16.095 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.634 -20.195 -16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.645 -18.962 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.967 -20.272 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.488 -18.132 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.045 -18.877 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.702 -17.609 -14.267 1.00 0.00 H new ATOM 569 N SER A 40 2.195 -23.164 -13.885 1.00 0.00 N ATOM 570 CA SER A 40 3.082 -22.890 -12.760 1.00 0.00 C ATOM 571 C SER A 40 3.470 -21.415 -12.721 1.00 0.00 C ATOM 572 O SER A 40 3.660 -20.782 -13.760 1.00 0.00 O ATOM 573 CB SER A 40 4.339 -23.758 -12.852 1.00 0.00 C ATOM 574 OG SER A 40 5.228 -23.482 -11.783 1.00 0.00 O ATOM 0 H SER A 40 2.667 -23.234 -14.787 1.00 0.00 H new ATOM 0 HA SER A 40 2.549 -23.132 -11.841 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.060 -24.811 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.841 -23.577 -13.803 1.00 0.00 H new ATOM 0 HG SER A 40 6.022 -24.050 -11.863 1.00 0.00 H new ATOM 580 N THR A 41 3.585 -20.872 -11.513 1.00 0.00 N ATOM 581 CA THR A 41 3.949 -19.472 -11.335 1.00 0.00 C ATOM 582 C THR A 41 5.387 -19.218 -11.772 1.00 0.00 C ATOM 583 O THR A 41 6.252 -20.081 -11.627 1.00 0.00 O ATOM 584 CB THR A 41 3.784 -19.030 -9.869 1.00 0.00 C ATOM 585 OG1 THR A 41 4.446 -19.957 -9.001 1.00 0.00 O ATOM 586 CG2 THR A 41 2.313 -18.937 -9.494 1.00 0.00 C ATOM 0 H THR A 41 3.431 -21.381 -10.643 1.00 0.00 H new ATOM 0 HA THR A 41 3.274 -18.888 -11.960 1.00 0.00 H new ATOM 0 HB THR A 41 4.234 -18.043 -9.757 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.338 -19.668 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.222 -18.623 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.819 -18.209 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.843 -19.912 -9.621 1.00 0.00 H new ATOM 594 N GLY A 42 5.637 -18.027 -12.308 1.00 0.00 N ATOM 595 CA GLY A 42 6.972 -17.681 -12.758 1.00 0.00 C ATOM 596 C GLY A 42 7.309 -16.225 -12.507 1.00 0.00 C ATOM 597 O GLY A 42 6.879 -15.644 -11.510 1.00 0.00 O ATOM 0 H GLY A 42 4.938 -17.296 -12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.699 -18.312 -12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.059 -17.892 -13.824 1.00 0.00 H new ATOM 601 N ILE A 43 8.082 -15.634 -13.412 1.00 0.00 N ATOM 602 CA ILE A 43 8.477 -14.236 -13.283 1.00 0.00 C ATOM 603 C ILE A 43 7.732 -13.360 -14.285 1.00 0.00 C ATOM 604 O ILE A 43 7.333 -13.806 -15.361 1.00 0.00 O ATOM 605 CB ILE A 43 9.992 -14.058 -13.490 1.00 0.00 C ATOM 606 CG1 ILE A 43 10.402 -14.557 -14.877 1.00 0.00 C ATOM 607 CG2 ILE A 43 10.765 -14.796 -12.406 1.00 0.00 C ATOM 608 CD1 ILE A 43 11.650 -13.891 -15.413 1.00 0.00 C ATOM 0 H ILE A 43 8.447 -16.101 -14.242 1.00 0.00 H new ATOM 0 HA ILE A 43 8.218 -13.927 -12.270 1.00 0.00 H new ATOM 0 HB ILE A 43 10.231 -12.997 -13.421 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.564 -15.634 -14.834 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.581 -14.386 -15.573 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.835 -14.661 -12.566 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.491 -14.398 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.524 -15.858 -12.446 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.882 -14.293 -16.399 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.485 -12.816 -15.489 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.484 -14.083 -14.738 1.00 0.00 H new ATOM 620 N PRO A 44 7.541 -12.082 -13.926 1.00 0.00 N ATOM 621 CA PRO A 44 6.846 -11.115 -14.781 1.00 0.00 C ATOM 622 C PRO A 44 7.656 -10.749 -16.020 1.00 0.00 C ATOM 623 O PRO A 44 8.876 -10.908 -16.044 1.00 0.00 O ATOM 624 CB PRO A 44 6.677 -9.895 -13.872 1.00 0.00 C ATOM 625 CG PRO A 44 7.780 -10.009 -12.876 1.00 0.00 C ATOM 626 CD PRO A 44 7.990 -11.482 -12.659 1.00 0.00 C ATOM 0 HA PRO A 44 5.906 -11.512 -15.164 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.749 -8.966 -14.438 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.702 -9.896 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.690 -9.535 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.517 -9.511 -11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.035 -11.713 -12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.410 -11.850 -11.813 1.00 0.00 H new ATOM 634 N ARG A 45 6.969 -10.257 -17.046 1.00 0.00 N ATOM 635 CA ARG A 45 7.625 -9.869 -18.289 1.00 0.00 C ATOM 636 C ARG A 45 8.601 -10.948 -18.748 1.00 0.00 C ATOM 637 O ARG A 45 9.628 -10.651 -19.359 1.00 0.00 O ATOM 638 CB ARG A 45 8.364 -8.542 -18.107 1.00 0.00 C ATOM 639 CG ARG A 45 9.423 -8.578 -17.016 1.00 0.00 C ATOM 640 CD ARG A 45 10.287 -7.328 -17.038 1.00 0.00 C ATOM 641 NE ARG A 45 11.290 -7.373 -18.099 1.00 0.00 N ATOM 642 CZ ARG A 45 12.502 -7.892 -17.943 1.00 0.00 C ATOM 643 NH1 ARG A 45 12.861 -8.407 -16.775 1.00 0.00 N ATOM 644 NH2 ARG A 45 13.359 -7.897 -18.956 1.00 0.00 N ATOM 0 H ARG A 45 5.959 -10.118 -17.041 1.00 0.00 H new ATOM 0 HA ARG A 45 6.858 -9.748 -19.054 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.836 -8.266 -19.050 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.640 -7.762 -17.873 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.941 -8.672 -16.043 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.052 -9.459 -17.147 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.653 -6.452 -17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.784 -7.214 -16.074 1.00 0.00 H new ATOM 0 HE ARG A 45 11.046 -6.984 -19.010 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.205 -8.405 -15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.793 -8.805 -16.658 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.087 -7.502 -19.856 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.290 -8.296 -18.835 1.00 0.00 H new ATOM 658 N SER A 46 8.274 -12.201 -18.449 1.00 0.00 N ATOM 659 CA SER A 46 9.124 -13.324 -18.827 1.00 0.00 C ATOM 660 C SER A 46 9.215 -13.449 -20.345 1.00 0.00 C ATOM 661 O SER A 46 8.581 -12.693 -21.081 1.00 0.00 O ATOM 662 CB SER A 46 8.583 -14.624 -18.229 1.00 0.00 C ATOM 663 OG SER A 46 7.379 -15.016 -18.865 1.00 0.00 O ATOM 0 H SER A 46 7.427 -12.464 -17.946 1.00 0.00 H new ATOM 0 HA SER A 46 10.124 -13.140 -18.434 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.327 -15.414 -18.334 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.407 -14.491 -17.161 1.00 0.00 H new ATOM 0 HG SER A 46 6.971 -15.755 -18.367 1.00 0.00 H new ATOM 669 N PHE A 47 10.009 -14.410 -20.806 1.00 0.00 N ATOM 670 CA PHE A 47 10.186 -14.634 -22.236 1.00 0.00 C ATOM 671 C PHE A 47 9.049 -15.484 -22.798 1.00 0.00 C ATOM 672 O PHE A 47 9.114 -15.953 -23.934 1.00 0.00 O ATOM 673 CB PHE A 47 11.529 -15.317 -22.505 1.00 0.00 C ATOM 674 CG PHE A 47 12.714 -14.485 -22.107 1.00 0.00 C ATOM 675 CD1 PHE A 47 13.137 -14.443 -20.788 1.00 0.00 C ATOM 676 CD2 PHE A 47 13.407 -13.746 -23.052 1.00 0.00 C ATOM 677 CE1 PHE A 47 14.227 -13.678 -20.419 1.00 0.00 C ATOM 678 CE2 PHE A 47 14.498 -12.979 -22.689 1.00 0.00 C ATOM 679 CZ PHE A 47 14.909 -12.946 -21.371 1.00 0.00 C ATOM 0 H PHE A 47 10.540 -15.046 -20.210 1.00 0.00 H new ATOM 0 HA PHE A 47 10.173 -13.665 -22.734 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.561 -16.263 -21.965 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.601 -15.554 -23.567 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.609 -15.015 -20.040 1.00 0.00 H new ATOM 0 HD2 PHE A 47 13.091 -13.770 -24.084 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.545 -13.653 -19.387 1.00 0.00 H new ATOM 0 HE2 PHE A 47 15.028 -12.406 -23.435 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.762 -12.349 -21.085 1.00 0.00 H new ATOM 689 N MET A 48 8.010 -15.677 -21.993 1.00 0.00 N ATOM 690 CA MET A 48 6.858 -16.469 -22.409 1.00 0.00 C ATOM 691 C MET A 48 6.246 -15.907 -23.688 1.00 0.00 C ATOM 692 O MET A 48 5.559 -16.617 -24.422 1.00 0.00 O ATOM 693 CB MET A 48 5.807 -16.503 -21.298 1.00 0.00 C ATOM 694 CG MET A 48 4.786 -17.617 -21.461 1.00 0.00 C ATOM 695 SD MET A 48 5.327 -19.169 -20.721 1.00 0.00 S ATOM 696 CE MET A 48 4.988 -20.317 -22.053 1.00 0.00 C ATOM 0 H MET A 48 7.942 -15.296 -21.049 1.00 0.00 H new ATOM 0 HA MET A 48 7.199 -17.485 -22.607 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.309 -16.619 -20.338 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.287 -15.546 -21.272 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.844 -17.311 -21.006 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.591 -17.773 -22.522 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.271 -21.324 -21.746 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.924 -20.295 -22.290 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.562 -20.031 -22.934 1.00 0.00 H new ATOM 706 N MET A 49 6.499 -14.629 -23.948 1.00 0.00 N ATOM 707 CA MET A 49 5.973 -13.973 -25.140 1.00 0.00 C ATOM 708 C MET A 49 7.022 -13.929 -26.245 1.00 0.00 C ATOM 709 O MET A 49 7.955 -13.128 -26.196 1.00 0.00 O ATOM 710 CB MET A 49 5.509 -12.554 -24.804 1.00 0.00 C ATOM 711 CG MET A 49 4.858 -11.835 -25.974 1.00 0.00 C ATOM 712 SD MET A 49 3.089 -12.161 -26.093 1.00 0.00 S ATOM 713 CE MET A 49 2.434 -10.866 -25.044 1.00 0.00 C ATOM 0 H MET A 49 7.065 -14.027 -23.350 1.00 0.00 H new ATOM 0 HA MET A 49 5.121 -14.552 -25.496 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.801 -12.598 -23.976 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.365 -11.972 -24.461 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.020 -10.762 -25.871 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.343 -12.143 -26.900 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.347 -10.936 -25.016 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.831 -10.979 -24.035 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.725 -9.894 -25.441 1.00 0.00 H new ATOM 723 N GLU A 50 6.864 -14.796 -27.241 1.00 0.00 N ATOM 724 CA GLU A 50 7.800 -14.856 -28.357 1.00 0.00 C ATOM 725 C GLU A 50 7.203 -14.207 -29.603 1.00 0.00 C ATOM 726 O GLU A 50 7.687 -14.413 -30.716 1.00 0.00 O ATOM 727 CB GLU A 50 8.179 -16.308 -28.657 1.00 0.00 C ATOM 728 CG GLU A 50 9.519 -16.455 -29.357 1.00 0.00 C ATOM 729 CD GLU A 50 9.400 -16.382 -30.867 1.00 0.00 C ATOM 730 OE1 GLU A 50 8.593 -17.147 -31.435 1.00 0.00 O ATOM 731 OE2 GLU A 50 10.114 -15.561 -31.480 1.00 0.00 O ATOM 0 H GLU A 50 6.097 -15.466 -27.297 1.00 0.00 H new ATOM 0 HA GLU A 50 8.697 -14.305 -28.075 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.203 -16.869 -27.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.403 -16.756 -29.278 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.193 -15.671 -29.011 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.968 -17.408 -29.077 1.00 0.00 H new ATOM 738 N VAL A 51 6.148 -13.423 -29.407 1.00 0.00 N ATOM 739 CA VAL A 51 5.485 -12.743 -30.513 1.00 0.00 C ATOM 740 C VAL A 51 5.520 -11.230 -30.328 1.00 0.00 C ATOM 741 O VAL A 51 5.338 -10.723 -29.221 1.00 0.00 O ATOM 742 CB VAL A 51 4.020 -13.197 -30.653 1.00 0.00 C ATOM 743 CG1 VAL A 51 3.949 -14.690 -30.938 1.00 0.00 C ATOM 744 CG2 VAL A 51 3.231 -12.847 -29.401 1.00 0.00 C ATOM 0 H VAL A 51 5.734 -13.243 -28.492 1.00 0.00 H new ATOM 0 HA VAL A 51 6.029 -13.008 -31.420 1.00 0.00 H new ATOM 0 HB VAL A 51 3.573 -12.668 -31.495 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.906 -14.993 -31.034 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.477 -14.909 -31.866 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.413 -15.239 -30.119 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.198 -13.175 -29.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.675 -13.346 -28.540 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.253 -11.768 -29.246 1.00 0.00 H new ATOM 754 N LYS A 52 5.756 -10.512 -31.421 1.00 0.00 N ATOM 755 CA LYS A 52 5.814 -9.055 -31.382 1.00 0.00 C ATOM 756 C LYS A 52 5.386 -8.458 -32.719 1.00 0.00 C ATOM 757 O LYS A 52 5.547 -9.081 -33.768 1.00 0.00 O ATOM 758 CB LYS A 52 7.230 -8.590 -31.034 1.00 0.00 C ATOM 759 CG LYS A 52 7.670 -8.978 -29.633 1.00 0.00 C ATOM 760 CD LYS A 52 8.769 -8.062 -29.120 1.00 0.00 C ATOM 761 CE LYS A 52 9.311 -8.538 -27.781 1.00 0.00 C ATOM 762 NZ LYS A 52 8.438 -8.122 -26.649 1.00 0.00 N ATOM 0 H LYS A 52 5.910 -10.915 -32.345 1.00 0.00 H new ATOM 0 HA LYS A 52 5.125 -8.709 -30.612 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.930 -9.012 -31.756 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.283 -7.506 -31.135 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.815 -8.936 -28.958 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.025 -10.009 -29.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.579 -8.021 -29.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.381 -7.049 -29.017 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.400 -9.624 -27.791 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.314 -8.138 -27.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.842 -8.466 -25.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.373 -7.084 -26.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.488 -8.525 -26.777 1.00 0.00 H new ATOM 776 N ASP A 53 4.842 -7.247 -32.673 1.00 0.00 N ATOM 777 CA ASP A 53 4.393 -6.564 -33.881 1.00 0.00 C ATOM 778 C ASP A 53 5.580 -6.030 -34.676 1.00 0.00 C ATOM 779 O ASP A 53 6.524 -5.463 -34.125 1.00 0.00 O ATOM 780 CB ASP A 53 3.446 -5.418 -33.523 1.00 0.00 C ATOM 781 CG ASP A 53 3.168 -4.506 -34.702 1.00 0.00 C ATOM 782 OD1 ASP A 53 2.307 -4.859 -35.535 1.00 0.00 O ATOM 783 OD2 ASP A 53 3.811 -3.440 -34.791 1.00 0.00 O ATOM 0 H ASP A 53 4.701 -6.718 -31.812 1.00 0.00 H new ATOM 0 HA ASP A 53 3.859 -7.286 -34.500 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.506 -5.829 -33.156 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.878 -4.834 -32.710 1.00 0.00 H new ATOM 788 N PRO A 54 5.535 -6.214 -36.004 1.00 0.00 N ATOM 789 CA PRO A 54 6.599 -5.758 -36.904 1.00 0.00 C ATOM 790 C PRO A 54 6.650 -4.239 -37.018 1.00 0.00 C ATOM 791 O PRO A 54 7.707 -3.630 -36.858 1.00 0.00 O ATOM 792 CB PRO A 54 6.218 -6.383 -38.248 1.00 0.00 C ATOM 793 CG PRO A 54 4.743 -6.579 -38.171 1.00 0.00 C ATOM 794 CD PRO A 54 4.441 -6.881 -36.730 1.00 0.00 C ATOM 0 HA PRO A 54 7.587 -6.049 -36.548 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.488 -5.731 -39.078 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.735 -7.329 -38.405 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.213 -5.686 -38.502 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.424 -7.397 -38.817 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.467 -6.492 -36.434 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.428 -7.954 -36.539 1.00 0.00 H new ATOM 802 N ASN A 55 5.500 -3.632 -37.296 1.00 0.00 N ATOM 803 CA ASN A 55 5.415 -2.182 -37.431 1.00 0.00 C ATOM 804 C ASN A 55 3.965 -1.713 -37.353 1.00 0.00 C ATOM 805 O ASN A 55 3.059 -2.525 -37.533 1.00 0.00 O ATOM 806 CB ASN A 55 6.036 -1.736 -38.756 1.00 0.00 C ATOM 807 CG ASN A 55 5.250 -2.224 -39.958 1.00 0.00 C ATOM 808 OD1 ASN A 55 4.210 -1.663 -40.303 1.00 0.00 O ATOM 809 ND2 ASN A 55 5.745 -3.276 -40.600 1.00 0.00 N ATOM 0 H ASN A 55 4.615 -4.121 -37.432 1.00 0.00 H new ATOM 0 HA ASN A 55 5.969 -1.732 -36.607 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.092 -0.648 -38.780 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.058 -2.109 -38.818 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.260 -3.651 -41.415 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.611 -3.709 -40.278 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.996 -10.990 -8.535 1.00 0.00 ZN