USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.023 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.761 USER MOD Single : A 3 SER OG : rot 180:sc= -0.143 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.794 USER MOD Single : A 13 THR OG1 : rot -173:sc= -0.684 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.093) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc=-9.85e-05 (180deg=-0.137) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -5.28! C(o=-5.3!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0425) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -127:sc= -0.846 USER MOD Single : A 38 MET CE :methyl 140:sc= -2.55 (180deg=-6.16!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.00317 X(o=-0.0032,f=-0.49) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.102 K(o=0.1,f=-0.81) USER MOD Single : A 80 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 87 SER OG : rot -61:sc= 0.797 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.593 11.408 20.371 1.00 0.00 N ATOM 2 CA GLY A 1 5.976 12.487 19.622 1.00 0.00 C ATOM 3 C GLY A 1 5.149 13.404 20.501 1.00 0.00 C ATOM 4 O GLY A 1 4.544 12.960 21.477 1.00 0.00 O ATOM 0 H1 GLY A 1 6.455 10.510 19.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.611 11.595 20.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.155 11.344 21.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.751 13.069 19.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.341 12.067 18.842 1.00 0.00 H new ATOM 8 N SER A 2 5.124 14.688 20.156 1.00 0.00 N ATOM 9 CA SER A 2 4.370 15.671 20.925 1.00 0.00 C ATOM 10 C SER A 2 4.047 16.895 20.073 1.00 0.00 C ATOM 11 O SER A 2 4.166 18.032 20.530 1.00 0.00 O ATOM 12 CB SER A 2 5.158 16.093 22.167 1.00 0.00 C ATOM 13 OG SER A 2 5.022 15.139 23.205 1.00 0.00 O ATOM 0 H SER A 2 5.617 15.071 19.349 1.00 0.00 H new ATOM 0 HA SER A 2 3.433 15.210 21.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.211 16.209 21.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.805 17.064 22.513 1.00 0.00 H new ATOM 0 HG SER A 2 4.730 14.283 22.827 1.00 0.00 H new ATOM 19 N SER A 3 3.638 16.653 18.832 1.00 0.00 N ATOM 20 CA SER A 3 3.302 17.735 17.913 1.00 0.00 C ATOM 21 C SER A 3 2.585 17.196 16.679 1.00 0.00 C ATOM 22 O SER A 3 2.574 15.991 16.430 1.00 0.00 O ATOM 23 CB SER A 3 4.566 18.488 17.494 1.00 0.00 C ATOM 24 OG SER A 3 4.248 19.603 16.679 1.00 0.00 O ATOM 0 H SER A 3 3.531 15.718 18.439 1.00 0.00 H new ATOM 0 HA SER A 3 2.633 18.423 18.430 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.104 18.823 18.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.231 17.815 16.952 1.00 0.00 H new ATOM 0 HG SER A 3 5.072 20.069 16.426 1.00 0.00 H new ATOM 30 N GLY A 4 1.985 18.099 15.909 1.00 0.00 N ATOM 31 CA GLY A 4 1.273 17.697 14.710 1.00 0.00 C ATOM 32 C GLY A 4 2.205 17.201 13.622 1.00 0.00 C ATOM 33 O GLY A 4 3.294 16.704 13.908 1.00 0.00 O ATOM 0 H GLY A 4 1.979 19.102 16.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.561 16.911 14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.696 18.542 14.333 1.00 0.00 H new ATOM 37 N SER A 5 1.775 17.333 12.372 1.00 0.00 N ATOM 38 CA SER A 5 2.576 16.889 11.237 1.00 0.00 C ATOM 39 C SER A 5 2.995 15.432 11.406 1.00 0.00 C ATOM 40 O SER A 5 4.126 15.060 11.093 1.00 0.00 O ATOM 41 CB SER A 5 3.814 17.773 11.082 1.00 0.00 C ATOM 42 OG SER A 5 3.463 19.146 11.077 1.00 0.00 O ATOM 0 H SER A 5 0.876 17.744 12.119 1.00 0.00 H new ATOM 0 HA SER A 5 1.965 16.972 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.510 17.575 11.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.330 17.523 10.155 1.00 0.00 H new ATOM 0 HG SER A 5 4.272 19.690 10.978 1.00 0.00 H new ATOM 48 N SER A 6 2.075 14.611 11.902 1.00 0.00 N ATOM 49 CA SER A 6 2.349 13.195 12.116 1.00 0.00 C ATOM 50 C SER A 6 2.335 12.433 10.794 1.00 0.00 C ATOM 51 O SER A 6 3.291 11.735 10.457 1.00 0.00 O ATOM 52 CB SER A 6 1.319 12.594 13.075 1.00 0.00 C ATOM 53 OG SER A 6 1.912 12.266 14.319 1.00 0.00 O ATOM 0 H SER A 6 1.133 14.902 12.163 1.00 0.00 H new ATOM 0 HA SER A 6 3.342 13.105 12.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.506 13.303 13.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.881 11.700 12.630 1.00 0.00 H new ATOM 0 HG SER A 6 1.233 11.885 14.915 1.00 0.00 H new ATOM 59 N GLY A 7 1.243 12.572 10.049 1.00 0.00 N ATOM 60 CA GLY A 7 1.124 11.892 8.773 1.00 0.00 C ATOM 61 C GLY A 7 0.357 10.589 8.880 1.00 0.00 C ATOM 62 O GLY A 7 -0.737 10.548 9.443 1.00 0.00 O ATOM 0 H GLY A 7 0.438 13.144 10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.623 12.548 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.120 11.693 8.377 1.00 0.00 H new ATOM 66 N PHE A 8 0.931 9.520 8.338 1.00 0.00 N ATOM 67 CA PHE A 8 0.293 8.209 8.373 1.00 0.00 C ATOM 68 C PHE A 8 1.292 7.128 8.775 1.00 0.00 C ATOM 69 O PHE A 8 2.273 6.880 8.072 1.00 0.00 O ATOM 70 CB PHE A 8 -0.313 7.877 7.007 1.00 0.00 C ATOM 71 CG PHE A 8 -1.607 8.589 6.736 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.611 9.867 6.202 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.820 7.980 7.016 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.801 10.525 5.952 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.013 8.633 6.768 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.003 9.907 6.234 1.00 0.00 C ATOM 0 H PHE A 8 1.837 9.536 7.869 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.502 8.239 9.118 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.404 8.135 6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.479 6.802 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.674 10.355 5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.833 6.984 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.790 11.522 5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.952 8.148 6.991 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.934 10.419 6.037 1.00 0.00 H new ATOM 86 N THR A 9 1.037 6.488 9.912 1.00 0.00 N ATOM 87 CA THR A 9 1.913 5.435 10.410 1.00 0.00 C ATOM 88 C THR A 9 1.152 4.128 10.596 1.00 0.00 C ATOM 89 O THR A 9 0.031 4.119 11.106 1.00 0.00 O ATOM 90 CB THR A 9 2.564 5.833 11.748 1.00 0.00 C ATOM 91 OG1 THR A 9 1.863 6.941 12.323 1.00 0.00 O ATOM 92 CG2 THR A 9 4.027 6.198 11.551 1.00 0.00 C ATOM 0 H THR A 9 0.230 6.681 10.506 1.00 0.00 H new ATOM 0 HA THR A 9 2.694 5.293 9.663 1.00 0.00 H new ATOM 0 HB THR A 9 2.508 4.979 12.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.282 7.187 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.465 6.475 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.563 5.342 11.141 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.103 7.038 10.861 1.00 0.00 H new ATOM 100 N CYS A 10 1.767 3.027 10.180 1.00 0.00 N ATOM 101 CA CYS A 10 1.146 1.712 10.301 1.00 0.00 C ATOM 102 C CYS A 10 1.346 1.143 11.702 1.00 0.00 C ATOM 103 O CYS A 10 2.456 1.117 12.235 1.00 0.00 O ATOM 104 CB CYS A 10 1.725 0.753 9.261 1.00 0.00 C ATOM 105 SG CYS A 10 0.760 -0.758 9.031 1.00 0.00 S ATOM 0 H CYS A 10 2.695 3.018 9.756 1.00 0.00 H new ATOM 0 HA CYS A 10 0.077 1.826 10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.800 1.272 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.739 0.482 9.557 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.483 -0.449 8.808 1.00 0.00 H new ATOM 111 N PRO A 11 0.247 0.679 12.315 1.00 0.00 N ATOM 112 CA PRO A 11 0.276 0.103 13.663 1.00 0.00 C ATOM 113 C PRO A 11 0.988 -1.245 13.702 1.00 0.00 C ATOM 114 O PRO A 11 1.241 -1.793 14.776 1.00 0.00 O ATOM 115 CB PRO A 11 -1.205 -0.064 14.009 1.00 0.00 C ATOM 116 CG PRO A 11 -1.891 -0.181 12.692 1.00 0.00 C ATOM 117 CD PRO A 11 -1.108 0.679 11.739 1.00 0.00 C ATOM 0 HA PRO A 11 0.823 0.733 14.364 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.371 -0.950 14.622 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.578 0.790 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.913 -1.217 12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.926 0.154 12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.115 0.269 10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.518 1.687 11.677 1.00 0.00 H new ATOM 125 N ILE A 12 1.308 -1.774 12.526 1.00 0.00 N ATOM 126 CA ILE A 12 1.992 -3.058 12.427 1.00 0.00 C ATOM 127 C ILE A 12 3.490 -2.868 12.217 1.00 0.00 C ATOM 128 O ILE A 12 4.297 -3.188 13.091 1.00 0.00 O ATOM 129 CB ILE A 12 1.427 -3.909 11.275 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.071 -4.150 11.476 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.173 -5.232 11.179 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.784 -4.602 10.221 1.00 0.00 C ATOM 0 H ILE A 12 1.105 -1.334 11.629 1.00 0.00 H new ATOM 0 HA ILE A 12 1.823 -3.579 13.369 1.00 0.00 H new ATOM 0 HB ILE A 12 1.566 -3.366 10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.209 -4.902 12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.534 -3.231 11.836 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.762 -5.823 10.360 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.230 -5.041 10.994 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.062 -5.781 12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.841 -4.753 10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.677 -3.841 9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.348 -5.538 9.872 1.00 0.00 H new ATOM 144 N THR A 13 3.857 -2.343 11.052 1.00 0.00 N ATOM 145 CA THR A 13 5.258 -2.109 10.726 1.00 0.00 C ATOM 146 C THR A 13 5.831 -0.965 11.554 1.00 0.00 C ATOM 147 O THR A 13 7.046 -0.847 11.712 1.00 0.00 O ATOM 148 CB THR A 13 5.441 -1.788 9.231 1.00 0.00 C ATOM 149 OG1 THR A 13 4.519 -0.767 8.833 1.00 0.00 O ATOM 150 CG2 THR A 13 5.228 -3.030 8.380 1.00 0.00 C ATOM 0 H THR A 13 3.203 -2.072 10.318 1.00 0.00 H new ATOM 0 HA THR A 13 5.795 -3.028 10.961 1.00 0.00 H new ATOM 0 HB THR A 13 6.461 -1.435 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.568 -0.642 7.862 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.363 -2.778 7.328 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.950 -3.795 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.218 -3.409 8.536 1.00 0.00 H new ATOM 158 N LYS A 14 4.949 -0.123 12.082 1.00 0.00 N ATOM 159 CA LYS A 14 5.367 1.012 12.896 1.00 0.00 C ATOM 160 C LYS A 14 6.195 1.995 12.075 1.00 0.00 C ATOM 161 O LYS A 14 7.170 2.561 12.568 1.00 0.00 O ATOM 162 CB LYS A 14 6.175 0.530 14.103 1.00 0.00 C ATOM 163 CG LYS A 14 5.533 -0.631 14.841 1.00 0.00 C ATOM 164 CD LYS A 14 4.208 -0.229 15.467 1.00 0.00 C ATOM 165 CE LYS A 14 3.658 -1.329 16.363 1.00 0.00 C ATOM 166 NZ LYS A 14 4.447 -1.468 17.618 1.00 0.00 N ATOM 0 H LYS A 14 3.940 -0.205 11.961 1.00 0.00 H new ATOM 0 HA LYS A 14 4.472 1.525 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.169 0.232 13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.308 1.361 14.796 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.374 -1.459 14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.210 -0.989 15.617 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.341 0.683 16.049 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.487 -0.004 14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.619 -1.111 16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.666 -2.276 15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.940 -2.090 18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.377 -1.880 17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.576 -0.532 18.052 1.00 0.00 H new ATOM 180 N GLU A 15 5.799 2.194 10.822 1.00 0.00 N ATOM 181 CA GLU A 15 6.506 3.110 9.934 1.00 0.00 C ATOM 182 C GLU A 15 5.529 3.845 9.021 1.00 0.00 C ATOM 183 O GLU A 15 4.322 3.613 9.073 1.00 0.00 O ATOM 184 CB GLU A 15 7.533 2.349 9.093 1.00 0.00 C ATOM 185 CG GLU A 15 8.359 1.355 9.893 1.00 0.00 C ATOM 186 CD GLU A 15 9.713 1.084 9.267 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.798 1.071 8.021 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.687 0.886 10.022 1.00 0.00 O ATOM 0 H GLU A 15 4.993 1.734 10.399 1.00 0.00 H new ATOM 0 HA GLU A 15 7.024 3.845 10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.015 1.818 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.203 3.065 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.500 1.737 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.809 0.418 9.980 1.00 0.00 H new ATOM 195 N GLU A 16 6.061 4.733 8.188 1.00 0.00 N ATOM 196 CA GLU A 16 5.236 5.504 7.265 1.00 0.00 C ATOM 197 C GLU A 16 4.507 4.584 6.290 1.00 0.00 C ATOM 198 O GLU A 16 5.020 3.531 5.912 1.00 0.00 O ATOM 199 CB GLU A 16 6.096 6.506 6.492 1.00 0.00 C ATOM 200 CG GLU A 16 5.315 7.697 5.962 1.00 0.00 C ATOM 201 CD GLU A 16 6.180 8.930 5.786 1.00 0.00 C ATOM 202 OE1 GLU A 16 7.097 9.135 6.609 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.940 9.689 4.824 1.00 0.00 O ATOM 0 H GLU A 16 7.059 4.937 8.133 1.00 0.00 H new ATOM 0 HA GLU A 16 4.494 6.048 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.893 6.865 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.573 5.994 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.864 7.434 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.498 7.925 6.647 1.00 0.00 H new ATOM 210 N MET A 17 3.307 4.990 5.887 1.00 0.00 N ATOM 211 CA MET A 17 2.507 4.203 4.956 1.00 0.00 C ATOM 212 C MET A 17 2.485 4.852 3.576 1.00 0.00 C ATOM 213 O MET A 17 2.379 6.073 3.453 1.00 0.00 O ATOM 214 CB MET A 17 1.079 4.047 5.482 1.00 0.00 C ATOM 215 CG MET A 17 0.983 3.194 6.736 1.00 0.00 C ATOM 216 SD MET A 17 -0.664 2.504 6.983 1.00 0.00 S ATOM 217 CE MET A 17 -1.578 3.971 7.452 1.00 0.00 C ATOM 0 H MET A 17 2.868 5.859 6.191 1.00 0.00 H new ATOM 0 HA MET A 17 2.963 3.217 4.867 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.668 5.034 5.692 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.460 3.603 4.702 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.707 2.382 6.674 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.254 3.797 7.603 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.619 3.707 7.639 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.144 4.397 8.356 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.529 4.704 6.646 1.00 0.00 H new ATOM 227 N LYS A 18 2.585 4.028 2.538 1.00 0.00 N ATOM 228 CA LYS A 18 2.576 4.521 1.165 1.00 0.00 C ATOM 229 C LYS A 18 1.362 3.994 0.407 1.00 0.00 C ATOM 230 O LYS A 18 0.853 4.649 -0.503 1.00 0.00 O ATOM 231 CB LYS A 18 3.860 4.107 0.444 1.00 0.00 C ATOM 232 CG LYS A 18 5.126 4.445 1.213 1.00 0.00 C ATOM 233 CD LYS A 18 5.391 5.942 1.220 1.00 0.00 C ATOM 234 CE LYS A 18 6.841 6.252 0.882 1.00 0.00 C ATOM 235 NZ LYS A 18 7.668 6.436 2.107 1.00 0.00 N ATOM 0 H LYS A 18 2.673 3.015 2.621 1.00 0.00 H new ATOM 0 HA LYS A 18 2.519 5.609 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.833 3.033 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.894 4.597 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.037 4.085 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.974 3.926 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.736 6.432 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.149 6.351 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.255 5.442 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.887 7.155 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.650 6.646 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.288 7.225 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.645 5.565 2.676 1.00 0.00 H new ATOM 249 N LYS A 19 0.901 2.808 0.787 1.00 0.00 N ATOM 250 CA LYS A 19 -0.255 2.193 0.146 1.00 0.00 C ATOM 251 C LYS A 19 -1.332 1.855 1.172 1.00 0.00 C ATOM 252 O LYS A 19 -1.432 0.727 1.654 1.00 0.00 O ATOM 253 CB LYS A 19 0.165 0.927 -0.604 1.00 0.00 C ATOM 254 CG LYS A 19 0.776 1.202 -1.967 1.00 0.00 C ATOM 255 CD LYS A 19 2.074 0.436 -2.161 1.00 0.00 C ATOM 256 CE LYS A 19 2.653 0.663 -3.549 1.00 0.00 C ATOM 257 NZ LYS A 19 3.001 2.093 -3.778 1.00 0.00 N ATOM 0 H LYS A 19 1.311 2.252 1.537 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.668 2.909 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.884 0.377 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.706 0.283 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.068 0.923 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.964 2.270 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.798 0.748 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.896 -0.629 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.544 0.048 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.933 0.340 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.544 2.181 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.129 2.655 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.573 2.443 -2.983 1.00 0.00 H new ATOM 271 N PRO A 20 -2.158 2.855 1.515 1.00 0.00 N ATOM 272 CA PRO A 20 -3.244 2.686 2.486 1.00 0.00 C ATOM 273 C PRO A 20 -4.369 1.808 1.951 1.00 0.00 C ATOM 274 O PRO A 20 -4.925 2.074 0.885 1.00 0.00 O ATOM 275 CB PRO A 20 -3.742 4.116 2.712 1.00 0.00 C ATOM 276 CG PRO A 20 -3.379 4.845 1.464 1.00 0.00 C ATOM 277 CD PRO A 20 -2.097 4.226 0.981 1.00 0.00 C ATOM 0 HA PRO A 20 -2.905 2.189 3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.818 4.138 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.270 4.566 3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.165 4.751 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.250 5.910 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.033 4.231 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.225 4.764 1.354 1.00 0.00 H new ATOM 285 N VAL A 21 -4.701 0.759 2.697 1.00 0.00 N ATOM 286 CA VAL A 21 -5.762 -0.158 2.298 1.00 0.00 C ATOM 287 C VAL A 21 -6.898 -0.159 3.315 1.00 0.00 C ATOM 288 O VAL A 21 -6.686 -0.418 4.500 1.00 0.00 O ATOM 289 CB VAL A 21 -5.231 -1.594 2.136 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.318 -1.693 0.923 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.505 -2.039 3.397 1.00 0.00 C ATOM 0 H VAL A 21 -4.250 0.523 3.581 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.139 0.192 1.337 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.079 -2.260 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.953 -2.715 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.873 -1.419 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.473 -1.016 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.136 -3.056 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.665 -1.371 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.192 -2.009 4.242 1.00 0.00 H new ATOM 301 N LYS A 22 -8.106 0.131 2.844 1.00 0.00 N ATOM 302 CA LYS A 22 -9.279 0.162 3.710 1.00 0.00 C ATOM 303 C LYS A 22 -10.025 -1.167 3.663 1.00 0.00 C ATOM 304 O LYS A 22 -10.119 -1.800 2.612 1.00 0.00 O ATOM 305 CB LYS A 22 -10.214 1.300 3.296 1.00 0.00 C ATOM 306 CG LYS A 22 -11.251 1.649 4.351 1.00 0.00 C ATOM 307 CD LYS A 22 -12.502 2.245 3.727 1.00 0.00 C ATOM 308 CE LYS A 22 -13.280 1.205 2.937 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.606 1.720 2.497 1.00 0.00 N ATOM 0 H LYS A 22 -8.299 0.348 1.866 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.941 0.332 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.619 2.186 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.725 1.022 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.515 0.753 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.825 2.357 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.138 2.660 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.225 3.070 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.700 0.903 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.421 0.315 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.105 0.981 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.170 1.985 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.471 2.555 1.891 1.00 0.00 H new ATOM 323 N ASN A 23 -10.557 -1.584 4.808 1.00 0.00 N ATOM 324 CA ASN A 23 -11.296 -2.838 4.896 1.00 0.00 C ATOM 325 C ASN A 23 -12.782 -2.613 4.629 1.00 0.00 C ATOM 326 O ASN A 23 -13.315 -1.535 4.893 1.00 0.00 O ATOM 327 CB ASN A 23 -11.104 -3.471 6.275 1.00 0.00 C ATOM 328 CG ASN A 23 -11.237 -4.982 6.241 1.00 0.00 C ATOM 329 OD1 ASN A 23 -11.918 -5.537 5.379 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.583 -5.654 7.181 1.00 0.00 N ATOM 0 H ASN A 23 -10.490 -1.072 5.687 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.907 -3.515 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.120 -3.204 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.840 -3.060 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.633 -6.672 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.030 -5.152 7.876 1.00 0.00 H new ATOM 337 N LYS A 24 -13.445 -3.638 4.105 1.00 0.00 N ATOM 338 CA LYS A 24 -14.869 -3.555 3.804 1.00 0.00 C ATOM 339 C LYS A 24 -15.705 -3.936 5.021 1.00 0.00 C ATOM 340 O LYS A 24 -16.862 -3.532 5.144 1.00 0.00 O ATOM 341 CB LYS A 24 -15.216 -4.469 2.627 1.00 0.00 C ATOM 342 CG LYS A 24 -14.239 -4.366 1.468 1.00 0.00 C ATOM 343 CD LYS A 24 -14.962 -4.178 0.145 1.00 0.00 C ATOM 344 CE LYS A 24 -15.716 -5.434 -0.263 1.00 0.00 C ATOM 345 NZ LYS A 24 -17.191 -5.242 -0.196 1.00 0.00 N ATOM 0 H LYS A 24 -13.018 -4.537 3.880 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.099 -2.524 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.245 -5.501 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.217 -4.224 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.561 -3.529 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.628 -5.267 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.659 -3.344 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.242 -3.917 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.432 -5.715 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.427 -6.259 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.646 -6.137 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.414 -4.513 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.545 -4.942 -1.127 1.00 0.00 H new ATOM 359 N VAL A 25 -15.113 -4.716 5.920 1.00 0.00 N ATOM 360 CA VAL A 25 -15.803 -5.150 7.129 1.00 0.00 C ATOM 361 C VAL A 25 -15.794 -4.055 8.190 1.00 0.00 C ATOM 362 O VAL A 25 -16.839 -3.510 8.544 1.00 0.00 O ATOM 363 CB VAL A 25 -15.163 -6.423 7.715 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.011 -6.973 8.851 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.969 -7.469 6.628 1.00 0.00 C ATOM 0 H VAL A 25 -14.157 -5.060 5.834 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.832 -5.368 6.845 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.184 -6.165 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.543 -7.872 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.093 -6.224 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.005 -7.218 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.516 -8.362 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.935 -7.726 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.317 -7.070 5.851 1.00 0.00 H new ATOM 375 N CYS A 26 -14.606 -3.737 8.694 1.00 0.00 N ATOM 376 CA CYS A 26 -14.459 -2.707 9.715 1.00 0.00 C ATOM 377 C CYS A 26 -14.417 -1.318 9.084 1.00 0.00 C ATOM 378 O CYS A 26 -15.328 -0.512 9.271 1.00 0.00 O ATOM 379 CB CYS A 26 -13.187 -2.946 10.531 1.00 0.00 C ATOM 380 SG CYS A 26 -12.798 -1.613 11.710 1.00 0.00 S ATOM 0 H CYS A 26 -13.731 -4.178 8.412 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.323 -2.761 10.377 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.290 -3.882 11.079 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.347 -3.068 9.847 1.00 0.00 H new ATOM 385 N GLY A 27 -13.353 -1.046 8.334 1.00 0.00 N ATOM 386 CA GLY A 27 -13.213 0.246 7.687 1.00 0.00 C ATOM 387 C GLY A 27 -11.857 0.875 7.938 1.00 0.00 C ATOM 388 O GLY A 27 -11.460 1.810 7.241 1.00 0.00 O ATOM 0 H GLY A 27 -12.586 -1.697 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.363 0.130 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.993 0.916 8.047 1.00 0.00 H new ATOM 392 N HIS A 28 -11.144 0.364 8.937 1.00 0.00 N ATOM 393 CA HIS A 28 -9.825 0.884 9.279 1.00 0.00 C ATOM 394 C HIS A 28 -8.911 0.891 8.057 1.00 0.00 C ATOM 395 O HIS A 28 -9.270 0.381 6.996 1.00 0.00 O ATOM 396 CB HIS A 28 -9.198 0.047 10.394 1.00 0.00 C ATOM 397 CG HIS A 28 -9.477 0.574 11.768 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.784 -0.239 12.839 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.493 1.842 12.244 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.978 0.505 13.913 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.807 1.772 13.579 1.00 0.00 N ATOM 0 H HIS A 28 -11.458 -0.409 9.524 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.944 1.910 9.628 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.571 -0.975 10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.119 0.004 10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.296 2.741 11.679 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.233 0.140 14.897 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.894 2.569 14.210 1.00 0.00 H new ATOM 409 N THR A 29 -7.727 1.475 8.214 1.00 0.00 N ATOM 410 CA THR A 29 -6.762 1.551 7.124 1.00 0.00 C ATOM 411 C THR A 29 -5.384 1.083 7.576 1.00 0.00 C ATOM 412 O THR A 29 -4.942 1.396 8.682 1.00 0.00 O ATOM 413 CB THR A 29 -6.649 2.985 6.573 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.716 3.792 7.085 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.691 2.985 5.052 1.00 0.00 C ATOM 0 H THR A 29 -7.413 1.902 9.086 1.00 0.00 H new ATOM 0 HA THR A 29 -7.125 0.893 6.334 1.00 0.00 H new ATOM 0 HB THR A 29 -5.694 3.400 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.636 4.703 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.610 4.008 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.861 2.394 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.633 2.553 4.714 1.00 0.00 H new ATOM 423 N TYR A 30 -4.707 0.331 6.714 1.00 0.00 N ATOM 424 CA TYR A 30 -3.379 -0.182 7.026 1.00 0.00 C ATOM 425 C TYR A 30 -2.476 -0.139 5.797 1.00 0.00 C ATOM 426 O TYR A 30 -2.907 0.244 4.710 1.00 0.00 O ATOM 427 CB TYR A 30 -3.473 -1.615 7.554 1.00 0.00 C ATOM 428 CG TYR A 30 -4.663 -1.850 8.456 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.714 -1.297 9.730 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.736 -2.627 8.036 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.799 -1.510 10.558 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.825 -2.845 8.858 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.852 -2.284 10.118 1.00 0.00 C ATOM 434 OH TYR A 30 -7.935 -2.499 10.939 1.00 0.00 O ATOM 0 H TYR A 30 -5.057 0.064 5.794 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.944 0.454 7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.526 -2.302 6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.560 -1.853 8.101 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.891 -0.690 10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.718 -3.068 7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.822 -1.072 11.545 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.651 -3.451 8.516 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.099 -3.462 11.019 1.00 0.00 H new ATOM 444 N GLU A 31 -1.220 -0.535 5.980 1.00 0.00 N ATOM 445 CA GLU A 31 -0.256 -0.542 4.886 1.00 0.00 C ATOM 446 C GLU A 31 -0.364 -1.829 4.073 1.00 0.00 C ATOM 447 O GLU A 31 -0.657 -2.894 4.615 1.00 0.00 O ATOM 448 CB GLU A 31 1.166 -0.388 5.429 1.00 0.00 C ATOM 449 CG GLU A 31 2.246 -0.639 4.390 1.00 0.00 C ATOM 450 CD GLU A 31 3.492 0.190 4.631 1.00 0.00 C ATOM 451 OE1 GLU A 31 4.226 -0.108 5.597 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.734 1.138 3.854 1.00 0.00 O ATOM 0 H GLU A 31 -0.847 -0.855 6.874 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.482 0.301 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.286 0.619 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.305 -1.080 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.511 -1.696 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.851 -0.414 3.399 1.00 0.00 H new ATOM 459 N GLU A 32 -0.126 -1.721 2.769 1.00 0.00 N ATOM 460 CA GLU A 32 -0.199 -2.875 1.882 1.00 0.00 C ATOM 461 C GLU A 32 0.698 -4.004 2.383 1.00 0.00 C ATOM 462 O GLU A 32 0.214 -5.052 2.811 1.00 0.00 O ATOM 463 CB GLU A 32 0.207 -2.479 0.460 1.00 0.00 C ATOM 464 CG GLU A 32 -0.285 -3.446 -0.604 1.00 0.00 C ATOM 465 CD GLU A 32 -0.063 -2.926 -2.011 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.055 -3.100 -2.539 1.00 0.00 O ATOM 467 OE2 GLU A 32 -1.009 -2.346 -2.585 1.00 0.00 O ATOM 0 H GLU A 32 0.119 -0.846 2.305 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.230 -3.230 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.183 -1.484 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.294 -2.414 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.229 -4.400 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.348 -3.636 -0.454 1.00 0.00 H new ATOM 474 N ASP A 33 2.007 -3.781 2.325 1.00 0.00 N ATOM 475 CA ASP A 33 2.972 -4.779 2.773 1.00 0.00 C ATOM 476 C ASP A 33 2.626 -5.280 4.171 1.00 0.00 C ATOM 477 O ASP A 33 2.906 -6.427 4.517 1.00 0.00 O ATOM 478 CB ASP A 33 4.385 -4.192 2.762 1.00 0.00 C ATOM 479 CG ASP A 33 5.031 -4.265 1.393 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.322 -4.591 0.419 1.00 0.00 O ATOM 481 OD2 ASP A 33 6.247 -3.996 1.295 1.00 0.00 O ATOM 0 H ASP A 33 2.424 -2.919 1.973 1.00 0.00 H new ATOM 0 HA ASP A 33 2.932 -5.623 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.346 -3.152 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.004 -4.728 3.482 1.00 0.00 H new ATOM 486 N ALA A 34 2.017 -4.411 4.972 1.00 0.00 N ATOM 487 CA ALA A 34 1.632 -4.766 6.332 1.00 0.00 C ATOM 488 C ALA A 34 0.502 -5.790 6.334 1.00 0.00 C ATOM 489 O ALA A 34 0.665 -6.907 6.826 1.00 0.00 O ATOM 490 CB ALA A 34 1.220 -3.522 7.106 1.00 0.00 C ATOM 0 H ALA A 34 1.780 -3.456 4.702 1.00 0.00 H new ATOM 0 HA ALA A 34 2.496 -5.216 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.935 -3.802 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.056 -2.824 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.374 -3.048 6.609 1.00 0.00 H new ATOM 496 N ILE A 35 -0.642 -5.403 5.781 1.00 0.00 N ATOM 497 CA ILE A 35 -1.798 -6.288 5.719 1.00 0.00 C ATOM 498 C ILE A 35 -1.504 -7.517 4.866 1.00 0.00 C ATOM 499 O ILE A 35 -2.173 -8.544 4.986 1.00 0.00 O ATOM 500 CB ILE A 35 -3.032 -5.564 5.148 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.282 -6.430 5.318 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.813 -5.221 3.682 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.616 -6.733 6.762 1.00 0.00 C ATOM 0 H ILE A 35 -0.793 -4.482 5.369 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.011 -6.600 6.741 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.179 -4.636 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.130 -5.924 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.140 -7.368 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.693 -4.710 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.944 -4.570 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.645 -6.137 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.513 -7.351 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.785 -7.267 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.791 -5.800 7.298 1.00 0.00 H new ATOM 515 N VAL A 36 -0.497 -7.407 4.006 1.00 0.00 N ATOM 516 CA VAL A 36 -0.112 -8.510 3.134 1.00 0.00 C ATOM 517 C VAL A 36 0.838 -9.466 3.846 1.00 0.00 C ATOM 518 O VAL A 36 0.755 -10.683 3.674 1.00 0.00 O ATOM 519 CB VAL A 36 0.561 -7.999 1.846 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.137 -9.159 1.048 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.429 -7.204 1.008 1.00 0.00 C ATOM 0 H VAL A 36 0.067 -6.565 3.894 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.027 -9.040 2.871 1.00 0.00 H new ATOM 0 HB VAL A 36 1.382 -7.337 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.608 -8.779 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.879 -9.682 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.337 -9.848 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.063 -6.850 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.272 -7.841 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.789 -6.350 1.582 1.00 0.00 H new ATOM 531 N ARG A 37 1.741 -8.908 4.646 1.00 0.00 N ATOM 532 CA ARG A 37 2.709 -9.712 5.383 1.00 0.00 C ATOM 533 C ARG A 37 2.088 -10.275 6.658 1.00 0.00 C ATOM 534 O ARG A 37 2.539 -11.293 7.183 1.00 0.00 O ATOM 535 CB ARG A 37 3.941 -8.874 5.730 1.00 0.00 C ATOM 536 CG ARG A 37 3.725 -7.930 6.902 1.00 0.00 C ATOM 537 CD ARG A 37 4.979 -7.127 7.209 1.00 0.00 C ATOM 538 NE ARG A 37 5.660 -7.612 8.407 1.00 0.00 N ATOM 539 CZ ARG A 37 6.848 -7.172 8.806 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.483 -6.243 8.107 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.402 -7.663 9.907 1.00 0.00 N ATOM 0 H ARG A 37 1.822 -7.903 4.800 1.00 0.00 H new ATOM 0 HA ARG A 37 3.012 -10.545 4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.771 -9.542 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.233 -8.293 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.903 -7.251 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.433 -8.502 7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.660 -7.179 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.714 -6.078 7.342 1.00 0.00 H new ATOM 0 HE ARG A 37 5.198 -8.328 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.060 -5.864 7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.395 -5.907 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.916 -8.379 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.314 -7.325 10.213 1.00 0.00 H new ATOM 555 N MET A 38 1.051 -9.606 7.151 1.00 0.00 N ATOM 556 CA MET A 38 0.368 -10.040 8.364 1.00 0.00 C ATOM 557 C MET A 38 -0.500 -11.265 8.090 1.00 0.00 C ATOM 558 O MET A 38 -0.369 -12.291 8.757 1.00 0.00 O ATOM 559 CB MET A 38 -0.492 -8.906 8.925 1.00 0.00 C ATOM 560 CG MET A 38 -1.109 -9.223 10.277 1.00 0.00 C ATOM 561 SD MET A 38 -1.186 -7.783 11.360 1.00 0.00 S ATOM 562 CE MET A 38 -2.936 -7.405 11.297 1.00 0.00 C ATOM 0 H MET A 38 0.665 -8.761 6.729 1.00 0.00 H new ATOM 0 HA MET A 38 1.125 -10.310 9.100 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.119 -8.008 9.015 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.288 -8.680 8.216 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.115 -9.616 10.130 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.528 -10.007 10.762 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.282 -7.116 12.289 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.106 -6.584 10.600 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.486 -8.285 10.963 1.00 0.00 H new ATOM 572 N ILE A 39 -1.386 -11.149 7.107 1.00 0.00 N ATOM 573 CA ILE A 39 -2.274 -12.247 6.746 1.00 0.00 C ATOM 574 C ILE A 39 -1.482 -13.498 6.382 1.00 0.00 C ATOM 575 O ILE A 39 -1.866 -14.612 6.735 1.00 0.00 O ATOM 576 CB ILE A 39 -3.185 -11.868 5.564 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.025 -10.637 5.912 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.082 -13.039 5.190 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.673 -9.987 4.710 1.00 0.00 C ATOM 0 H ILE A 39 -1.508 -10.306 6.546 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.892 -12.453 7.620 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.559 -11.626 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.801 -10.926 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.392 -9.905 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.720 -12.756 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.467 -13.892 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.703 -13.309 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.252 -9.122 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.902 -9.667 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.333 -10.703 4.221 1.00 0.00 H new ATOM 591 N GLU A 40 -0.372 -13.304 5.676 1.00 0.00 N ATOM 592 CA GLU A 40 0.475 -14.418 5.265 1.00 0.00 C ATOM 593 C GLU A 40 1.225 -15.000 6.460 1.00 0.00 C ATOM 594 O GLU A 40 1.443 -16.209 6.540 1.00 0.00 O ATOM 595 CB GLU A 40 1.472 -13.963 4.197 1.00 0.00 C ATOM 596 CG GLU A 40 0.836 -13.713 2.839 1.00 0.00 C ATOM 597 CD GLU A 40 1.119 -14.826 1.849 1.00 0.00 C ATOM 598 OE1 GLU A 40 0.697 -15.973 2.109 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.762 -14.551 0.815 1.00 0.00 O ATOM 0 H GLU A 40 -0.039 -12.387 5.377 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.166 -15.194 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.961 -13.049 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.249 -14.720 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.242 -13.606 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.207 -12.770 2.436 1.00 0.00 H new ATOM 606 N SER A 41 1.618 -14.131 7.386 1.00 0.00 N ATOM 607 CA SER A 41 2.347 -14.557 8.575 1.00 0.00 C ATOM 608 C SER A 41 1.410 -15.226 9.576 1.00 0.00 C ATOM 609 O SER A 41 1.841 -16.023 10.409 1.00 0.00 O ATOM 610 CB SER A 41 3.041 -13.362 9.229 1.00 0.00 C ATOM 611 OG SER A 41 3.861 -13.776 10.308 1.00 0.00 O ATOM 0 H SER A 41 1.444 -13.127 7.336 1.00 0.00 H new ATOM 0 HA SER A 41 3.101 -15.282 8.268 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.646 -12.839 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.293 -12.654 9.587 1.00 0.00 H new ATOM 0 HG SER A 41 4.295 -12.994 10.708 1.00 0.00 H new ATOM 617 N ARG A 42 0.126 -14.895 9.487 1.00 0.00 N ATOM 618 CA ARG A 42 -0.873 -15.462 10.385 1.00 0.00 C ATOM 619 C ARG A 42 -1.325 -16.836 9.899 1.00 0.00 C ATOM 620 O ARG A 42 -1.300 -17.809 10.651 1.00 0.00 O ATOM 621 CB ARG A 42 -2.079 -14.527 10.497 1.00 0.00 C ATOM 622 CG ARG A 42 -1.754 -13.189 11.141 1.00 0.00 C ATOM 623 CD ARG A 42 -2.104 -13.183 12.621 1.00 0.00 C ATOM 624 NE ARG A 42 -1.301 -12.221 13.370 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.571 -10.921 13.422 1.00 0.00 C ATOM 626 NH1 ARG A 42 -2.618 -10.431 12.772 1.00 0.00 N ATOM 627 NH2 ARG A 42 -0.793 -10.108 14.125 1.00 0.00 N ATOM 0 H ARG A 42 -0.247 -14.237 8.802 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.417 -15.576 11.369 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.486 -14.352 9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.858 -15.021 11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.693 -12.972 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.303 -12.396 10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.161 -12.945 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.952 -14.181 13.033 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.488 -12.566 13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.219 -11.053 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.823 -9.433 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.013 -10.481 14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.001 -9.110 14.164 1.00 0.00 H new ATOM 641 N GLN A 43 -1.737 -16.905 8.637 1.00 0.00 N ATOM 642 CA GLN A 43 -2.196 -18.159 8.051 1.00 0.00 C ATOM 643 C GLN A 43 -1.170 -19.267 8.266 1.00 0.00 C ATOM 644 O GLN A 43 -1.507 -20.359 8.723 1.00 0.00 O ATOM 645 CB GLN A 43 -2.465 -17.979 6.556 1.00 0.00 C ATOM 646 CG GLN A 43 -3.926 -18.159 6.175 1.00 0.00 C ATOM 647 CD GLN A 43 -4.132 -19.266 5.161 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.027 -20.449 5.486 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.428 -18.888 3.923 1.00 0.00 N ATOM 0 H GLN A 43 -1.762 -16.108 8.001 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.123 -18.446 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.139 -16.984 6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.862 -18.695 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.507 -18.379 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.310 -17.223 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.505 -17.896 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.578 -19.589 3.198 1.00 0.00 H new ATOM 658 N LYS A 44 0.083 -18.979 7.932 1.00 0.00 N ATOM 659 CA LYS A 44 1.160 -19.950 8.088 1.00 0.00 C ATOM 660 C LYS A 44 1.255 -20.428 9.533 1.00 0.00 C ATOM 661 O LYS A 44 1.753 -21.521 9.803 1.00 0.00 O ATOM 662 CB LYS A 44 2.493 -19.338 7.653 1.00 0.00 C ATOM 663 CG LYS A 44 2.941 -18.175 8.521 1.00 0.00 C ATOM 664 CD LYS A 44 4.268 -18.466 9.201 1.00 0.00 C ATOM 665 CE LYS A 44 5.443 -18.161 8.284 1.00 0.00 C ATOM 666 NZ LYS A 44 5.873 -19.362 7.516 1.00 0.00 N ATOM 0 H LYS A 44 0.378 -18.080 7.551 1.00 0.00 H new ATOM 0 HA LYS A 44 0.937 -20.808 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.261 -20.111 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.407 -18.998 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.034 -17.278 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.182 -17.969 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.350 -17.870 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.302 -19.513 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.166 -17.367 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.279 -17.790 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.790 -19.174 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.966 -20.172 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.164 -19.580 6.787 1.00 0.00 H new ATOM 680 N ARG A 45 0.774 -19.604 10.458 1.00 0.00 N ATOM 681 CA ARG A 45 0.805 -19.943 11.875 1.00 0.00 C ATOM 682 C ARG A 45 -0.577 -20.366 12.364 1.00 0.00 C ATOM 683 O ARG A 45 -0.880 -20.282 13.554 1.00 0.00 O ATOM 684 CB ARG A 45 1.305 -18.753 12.696 1.00 0.00 C ATOM 685 CG ARG A 45 2.726 -18.332 12.355 1.00 0.00 C ATOM 686 CD ARG A 45 3.724 -19.436 12.667 1.00 0.00 C ATOM 687 NE ARG A 45 4.642 -19.057 13.738 1.00 0.00 N ATOM 688 CZ ARG A 45 5.492 -19.901 14.310 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.543 -21.166 13.915 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.296 -19.481 15.279 1.00 0.00 N ATOM 0 H ARG A 45 0.358 -18.696 10.251 1.00 0.00 H new ATOM 0 HA ARG A 45 1.490 -20.780 12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.636 -17.907 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.254 -19.006 13.755 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.786 -18.074 11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.986 -17.435 12.918 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.187 -20.340 12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.294 -19.674 11.769 1.00 0.00 H new ATOM 0 HE ARG A 45 4.629 -18.091 14.064 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.928 -21.493 13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.197 -21.812 14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.261 -18.509 15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.949 -20.131 15.718 1.00 0.00 H new ATOM 704 N LYS A 46 -1.413 -20.821 11.436 1.00 0.00 N ATOM 705 CA LYS A 46 -2.763 -21.258 11.771 1.00 0.00 C ATOM 706 C LYS A 46 -3.498 -20.189 12.573 1.00 0.00 C ATOM 707 O LYS A 46 -4.288 -20.501 13.465 1.00 0.00 O ATOM 708 CB LYS A 46 -2.716 -22.565 12.565 1.00 0.00 C ATOM 709 CG LYS A 46 -2.507 -23.796 11.699 1.00 0.00 C ATOM 710 CD LYS A 46 -1.898 -24.939 12.493 1.00 0.00 C ATOM 711 CE LYS A 46 -1.380 -26.039 11.578 1.00 0.00 C ATOM 712 NZ LYS A 46 -1.443 -27.377 12.229 1.00 0.00 N ATOM 0 H LYS A 46 -1.179 -20.897 10.446 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.305 -21.425 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.912 -22.506 13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.647 -22.676 13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.461 -24.112 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.856 -23.546 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.081 -24.561 13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.645 -25.350 13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.967 -26.054 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.350 -25.821 11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.082 -28.099 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.863 -27.371 13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.429 -27.597 12.476 1.00 0.00 H new ATOM 726 N LYS A 47 -3.234 -18.928 12.251 1.00 0.00 N ATOM 727 CA LYS A 47 -3.872 -17.812 12.940 1.00 0.00 C ATOM 728 C LYS A 47 -4.858 -17.097 12.021 1.00 0.00 C ATOM 729 O LYS A 47 -5.107 -17.537 10.898 1.00 0.00 O ATOM 730 CB LYS A 47 -2.816 -16.823 13.439 1.00 0.00 C ATOM 731 CG LYS A 47 -2.766 -16.700 14.952 1.00 0.00 C ATOM 732 CD LYS A 47 -2.067 -15.422 15.385 1.00 0.00 C ATOM 733 CE LYS A 47 -0.587 -15.449 15.034 1.00 0.00 C ATOM 734 NZ LYS A 47 0.253 -15.833 16.202 1.00 0.00 N ATOM 0 H LYS A 47 -2.582 -18.652 11.517 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.421 -18.211 13.793 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.837 -17.135 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.017 -15.842 13.009 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.780 -16.715 15.353 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.245 -17.561 15.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.540 -14.566 14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.185 -15.288 16.460 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.420 -16.153 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.281 -14.467 14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.255 -15.840 15.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.113 -15.147 16.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.021 -16.781 16.530 1.00 0.00 H new ATOM 748 N LYS A 48 -5.416 -15.993 12.504 1.00 0.00 N ATOM 749 CA LYS A 48 -6.373 -15.215 11.726 1.00 0.00 C ATOM 750 C LYS A 48 -6.022 -13.730 11.760 1.00 0.00 C ATOM 751 O LYS A 48 -5.425 -13.246 12.720 1.00 0.00 O ATOM 752 CB LYS A 48 -7.790 -15.427 12.263 1.00 0.00 C ATOM 753 CG LYS A 48 -8.062 -14.697 13.567 1.00 0.00 C ATOM 754 CD LYS A 48 -8.837 -15.568 14.542 1.00 0.00 C ATOM 755 CE LYS A 48 -7.951 -16.638 15.161 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.700 -17.899 15.418 1.00 0.00 N ATOM 0 H LYS A 48 -5.222 -15.616 13.432 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.328 -15.558 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.507 -15.093 11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.957 -16.494 12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.118 -14.394 14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.625 -13.786 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.261 -14.945 15.330 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.672 -16.040 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.112 -16.843 14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.533 -16.267 16.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.061 -18.603 15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.486 -17.709 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.077 -18.268 14.522 1.00 0.00 H new ATOM 770 N ALA A 49 -6.398 -13.014 10.705 1.00 0.00 N ATOM 771 CA ALA A 49 -6.127 -11.585 10.616 1.00 0.00 C ATOM 772 C ALA A 49 -7.160 -10.780 11.397 1.00 0.00 C ATOM 773 O ALA A 49 -8.354 -10.831 11.100 1.00 0.00 O ATOM 774 CB ALA A 49 -6.100 -11.143 9.161 1.00 0.00 C ATOM 0 H ALA A 49 -6.891 -13.401 9.900 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.149 -11.398 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.897 -10.073 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.319 -11.687 8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.065 -11.351 8.699 1.00 0.00 H new ATOM 780 N TYR A 50 -6.694 -10.039 12.396 1.00 0.00 N ATOM 781 CA TYR A 50 -7.579 -9.226 13.221 1.00 0.00 C ATOM 782 C TYR A 50 -7.176 -7.755 13.166 1.00 0.00 C ATOM 783 O TYR A 50 -6.023 -7.424 12.887 1.00 0.00 O ATOM 784 CB TYR A 50 -7.556 -9.718 14.669 1.00 0.00 C ATOM 785 CG TYR A 50 -6.165 -10.004 15.189 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.597 -11.265 15.052 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.419 -9.014 15.818 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.327 -11.531 15.526 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.148 -9.271 16.293 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.606 -10.531 16.146 1.00 0.00 C ATOM 791 OH TYR A 50 -2.341 -10.792 16.619 1.00 0.00 O ATOM 0 H TYR A 50 -5.709 -9.985 12.654 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.591 -9.322 12.827 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.026 -8.969 15.306 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.157 -10.624 14.746 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.158 -12.050 14.567 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.841 -8.027 15.937 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.901 -12.517 15.412 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.581 -8.489 16.777 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.971 -9.982 17.027 1.00 0.00 H new ATOM 801 N CYS A 51 -8.136 -6.875 13.434 1.00 0.00 N ATOM 802 CA CYS A 51 -7.884 -5.440 13.416 1.00 0.00 C ATOM 803 C CYS A 51 -6.666 -5.090 14.265 1.00 0.00 C ATOM 804 O CYS A 51 -6.722 -5.063 15.495 1.00 0.00 O ATOM 805 CB CYS A 51 -9.110 -4.679 13.925 1.00 0.00 C ATOM 806 SG CYS A 51 -10.114 -3.919 12.609 1.00 0.00 S ATOM 0 H CYS A 51 -9.095 -7.132 13.666 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.683 -5.145 12.386 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.737 -5.363 14.496 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.781 -3.899 14.612 1.00 0.00 H new ATOM 811 N PRO A 52 -5.537 -4.814 13.596 1.00 0.00 N ATOM 812 CA PRO A 52 -4.284 -4.460 14.269 1.00 0.00 C ATOM 813 C PRO A 52 -4.346 -3.085 14.925 1.00 0.00 C ATOM 814 O PRO A 52 -3.493 -2.738 15.741 1.00 0.00 O ATOM 815 CB PRO A 52 -3.258 -4.465 13.133 1.00 0.00 C ATOM 816 CG PRO A 52 -4.053 -4.192 11.903 1.00 0.00 C ATOM 817 CD PRO A 52 -5.397 -4.827 12.130 1.00 0.00 C ATOM 0 HA PRO A 52 -4.047 -5.150 15.079 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.493 -3.704 13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.744 -5.424 13.068 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.152 -3.120 11.732 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.567 -4.612 11.023 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.195 -4.264 11.645 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.435 -5.841 11.732 1.00 0.00 H new ATOM 825 N GLN A 53 -5.361 -2.307 14.562 1.00 0.00 N ATOM 826 CA GLN A 53 -5.534 -0.970 15.116 1.00 0.00 C ATOM 827 C GLN A 53 -5.800 -1.032 16.617 1.00 0.00 C ATOM 828 O GLN A 53 -6.901 -1.373 17.048 1.00 0.00 O ATOM 829 CB GLN A 53 -6.684 -0.248 14.412 1.00 0.00 C ATOM 830 CG GLN A 53 -6.434 1.238 14.206 1.00 0.00 C ATOM 831 CD GLN A 53 -5.247 1.510 13.302 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.210 1.061 12.156 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.270 2.248 13.814 1.00 0.00 N ATOM 0 H GLN A 53 -6.075 -2.580 13.887 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.611 -0.414 14.952 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.857 -0.717 13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.595 -0.377 14.996 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.325 1.697 13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.266 1.712 15.173 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.343 2.599 14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.446 2.464 13.253 1.00 0.00 H new ATOM 842 N ILE A 54 -4.784 -0.701 17.407 1.00 0.00 N ATOM 843 CA ILE A 54 -4.909 -0.719 18.859 1.00 0.00 C ATOM 844 C ILE A 54 -6.124 0.080 19.316 1.00 0.00 C ATOM 845 O ILE A 54 -6.100 1.309 19.337 1.00 0.00 O ATOM 846 CB ILE A 54 -3.649 -0.150 19.539 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.395 -0.839 18.997 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.742 -0.317 21.049 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.448 0.103 18.287 1.00 0.00 C ATOM 0 H ILE A 54 -3.866 -0.417 17.066 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.032 -1.762 19.153 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.581 0.914 19.314 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.868 -1.318 19.822 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.693 -1.629 18.308 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.845 0.089 21.516 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.618 0.215 21.421 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.830 -1.376 21.293 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.582 -0.453 17.929 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.959 0.563 17.441 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.120 0.879 18.979 1.00 0.00 H new ATOM 861 N GLY A 55 -7.188 -0.629 19.684 1.00 0.00 N ATOM 862 CA GLY A 55 -8.398 0.030 20.138 1.00 0.00 C ATOM 863 C GLY A 55 -9.652 -0.601 19.565 1.00 0.00 C ATOM 864 O GLY A 55 -10.747 -0.418 20.097 1.00 0.00 O ATOM 0 H GLY A 55 -7.233 -1.648 19.675 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.441 -0.007 21.227 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.363 1.082 19.856 1.00 0.00 H new ATOM 868 N CYS A 56 -9.493 -1.345 18.476 1.00 0.00 N ATOM 869 CA CYS A 56 -10.621 -2.004 17.828 1.00 0.00 C ATOM 870 C CYS A 56 -10.909 -3.354 18.479 1.00 0.00 C ATOM 871 O CYS A 56 -10.014 -3.991 19.034 1.00 0.00 O ATOM 872 CB CYS A 56 -10.339 -2.195 16.336 1.00 0.00 C ATOM 873 SG CYS A 56 -11.824 -2.121 15.284 1.00 0.00 S ATOM 0 H CYS A 56 -8.593 -1.507 18.023 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.498 -1.368 17.947 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.636 -1.429 16.009 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.851 -3.158 16.190 1.00 0.00 H new ATOM 878 N SER A 57 -12.164 -3.784 18.405 1.00 0.00 N ATOM 879 CA SER A 57 -12.572 -5.057 18.989 1.00 0.00 C ATOM 880 C SER A 57 -12.692 -6.134 17.916 1.00 0.00 C ATOM 881 O SER A 57 -12.562 -7.326 18.198 1.00 0.00 O ATOM 882 CB SER A 57 -13.905 -4.901 19.723 1.00 0.00 C ATOM 883 OG SER A 57 -13.795 -5.313 21.075 1.00 0.00 O ATOM 0 H SER A 57 -12.916 -3.270 17.947 1.00 0.00 H new ATOM 0 HA SER A 57 -11.806 -5.364 19.702 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.227 -3.860 19.682 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.671 -5.492 19.221 1.00 0.00 H new ATOM 0 HG SER A 57 -14.660 -5.202 21.522 1.00 0.00 H new ATOM 889 N HIS A 58 -12.942 -5.706 16.682 1.00 0.00 N ATOM 890 CA HIS A 58 -13.080 -6.633 15.565 1.00 0.00 C ATOM 891 C HIS A 58 -11.885 -7.580 15.494 1.00 0.00 C ATOM 892 O HIS A 58 -10.796 -7.261 15.973 1.00 0.00 O ATOM 893 CB HIS A 58 -13.214 -5.864 14.250 1.00 0.00 C ATOM 894 CG HIS A 58 -13.806 -6.676 13.139 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.049 -7.267 13.218 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.317 -6.992 11.917 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.299 -7.913 12.093 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.264 -7.762 11.287 1.00 0.00 N ATOM 0 H HIS A 58 -13.053 -4.724 16.431 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.981 -7.224 15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.834 -4.983 14.415 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.230 -5.508 13.945 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.677 -7.214 14.020 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.361 -6.694 11.513 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.197 -8.470 11.870 1.00 0.00 H new ATOM 906 N THR A 59 -12.096 -8.747 14.893 1.00 0.00 N ATOM 907 CA THR A 59 -11.038 -9.741 14.762 1.00 0.00 C ATOM 908 C THR A 59 -11.283 -10.649 13.562 1.00 0.00 C ATOM 909 O THR A 59 -10.976 -11.840 13.600 1.00 0.00 O ATOM 910 CB THR A 59 -10.920 -10.607 16.030 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.221 -11.001 16.478 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.204 -9.849 17.138 1.00 0.00 C ATOM 0 H THR A 59 -12.990 -9.027 14.489 1.00 0.00 H new ATOM 0 HA THR A 59 -10.107 -9.194 14.617 1.00 0.00 H new ATOM 0 HB THR A 59 -10.338 -11.495 15.784 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.136 -11.553 17.284 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.132 -10.481 18.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.203 -9.577 16.804 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.763 -8.946 17.381 1.00 0.00 H new ATOM 920 N ASP A 60 -11.836 -10.078 12.497 1.00 0.00 N ATOM 921 CA ASP A 60 -12.120 -10.835 11.284 1.00 0.00 C ATOM 922 C ASP A 60 -11.758 -10.028 10.042 1.00 0.00 C ATOM 923 O ASP A 60 -12.520 -9.163 9.608 1.00 0.00 O ATOM 924 CB ASP A 60 -13.597 -11.231 11.238 1.00 0.00 C ATOM 925 CG ASP A 60 -13.876 -12.514 11.996 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.188 -13.521 11.731 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.784 -12.511 12.854 1.00 0.00 O ATOM 0 H ASP A 60 -12.096 -9.093 12.450 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.510 -11.738 11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.199 -10.426 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.906 -11.351 10.200 1.00 0.00 H new ATOM 932 N ILE A 61 -10.591 -10.315 9.474 1.00 0.00 N ATOM 933 CA ILE A 61 -10.129 -9.615 8.282 1.00 0.00 C ATOM 934 C ILE A 61 -9.756 -10.599 7.178 1.00 0.00 C ATOM 935 O ILE A 61 -9.039 -11.571 7.415 1.00 0.00 O ATOM 936 CB ILE A 61 -8.914 -8.721 8.590 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.244 -7.746 9.722 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.483 -7.965 7.342 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.070 -6.894 10.148 1.00 0.00 C ATOM 0 H ILE A 61 -9.949 -11.027 9.820 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.954 -8.988 7.944 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.088 -9.355 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.058 -7.095 9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.604 -8.310 10.582 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.623 -7.337 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.212 -8.676 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.305 -7.339 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.378 -6.227 10.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.262 -7.537 10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.723 -6.303 9.301 1.00 0.00 H new ATOM 951 N ARG A 62 -10.245 -10.337 5.970 1.00 0.00 N ATOM 952 CA ARG A 62 -9.963 -11.199 4.829 1.00 0.00 C ATOM 953 C ARG A 62 -9.335 -10.402 3.689 1.00 0.00 C ATOM 954 O ARG A 62 -9.731 -9.269 3.416 1.00 0.00 O ATOM 955 CB ARG A 62 -11.246 -11.877 4.345 1.00 0.00 C ATOM 956 CG ARG A 62 -11.256 -13.382 4.556 1.00 0.00 C ATOM 957 CD ARG A 62 -12.381 -14.047 3.778 1.00 0.00 C ATOM 958 NE ARG A 62 -13.466 -14.486 4.652 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.391 -15.556 5.435 1.00 0.00 C ATOM 960 NH1 ARG A 62 -12.289 -16.293 5.453 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.421 -15.891 6.202 1.00 0.00 N ATOM 0 H ARG A 62 -10.838 -9.535 5.757 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.255 -11.964 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.097 -11.440 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.380 -11.666 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.299 -13.801 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.368 -13.601 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.772 -13.349 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.987 -14.904 3.231 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.328 -13.941 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.496 -16.039 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.234 -17.114 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.271 -15.327 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.363 -16.713 6.803 1.00 0.00 H new ATOM 975 N LYS A 63 -8.352 -11.002 3.026 1.00 0.00 N ATOM 976 CA LYS A 63 -7.669 -10.351 1.915 1.00 0.00 C ATOM 977 C LYS A 63 -8.662 -9.933 0.835 1.00 0.00 C ATOM 978 O LYS A 63 -8.412 -8.995 0.078 1.00 0.00 O ATOM 979 CB LYS A 63 -6.614 -11.286 1.319 1.00 0.00 C ATOM 980 CG LYS A 63 -5.476 -10.557 0.626 1.00 0.00 C ATOM 981 CD LYS A 63 -4.611 -11.511 -0.181 1.00 0.00 C ATOM 982 CE LYS A 63 -3.793 -12.421 0.723 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.491 -13.725 0.069 1.00 0.00 N ATOM 0 H LYS A 63 -8.010 -11.939 3.239 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.178 -9.456 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.204 -11.910 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.095 -11.954 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.882 -9.788 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.862 -10.049 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.243 -12.115 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.943 -10.941 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.860 -11.924 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.338 -12.597 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.932 -14.317 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.381 -14.211 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.949 -13.559 -0.803 1.00 0.00 H new ATOM 997 N SER A 64 -9.789 -10.635 0.770 1.00 0.00 N ATOM 998 CA SER A 64 -10.819 -10.338 -0.219 1.00 0.00 C ATOM 999 C SER A 64 -11.583 -9.071 0.156 1.00 0.00 C ATOM 1000 O SER A 64 -12.170 -8.411 -0.701 1.00 0.00 O ATOM 1001 CB SER A 64 -11.789 -11.514 -0.345 1.00 0.00 C ATOM 1002 OG SER A 64 -12.973 -11.280 0.397 1.00 0.00 O ATOM 0 H SER A 64 -10.012 -11.413 1.390 1.00 0.00 H new ATOM 0 HA SER A 64 -10.330 -10.176 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.039 -11.673 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.308 -12.426 0.009 1.00 0.00 H new ATOM 0 HG SER A 64 -13.577 -12.045 0.299 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.570 -8.739 1.442 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.260 -7.552 1.932 1.00 0.00 C ATOM 1010 C ASP A 65 -11.303 -6.369 2.030 1.00 0.00 C ATOM 1011 O ASP A 65 -11.522 -5.442 2.811 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.890 -7.829 3.298 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.282 -8.421 3.184 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.002 -8.063 2.229 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.649 -9.241 4.050 1.00 0.00 O ATOM 0 H ASP A 65 -11.089 -9.275 2.164 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.048 -7.301 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.252 -8.513 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.938 -6.901 3.868 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.240 -6.407 1.235 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.247 -5.338 1.233 1.00 0.00 C ATOM 1022 C LEU A 66 -9.307 -4.542 -0.067 1.00 0.00 C ATOM 1023 O LEU A 66 -9.339 -5.115 -1.156 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.844 -5.917 1.425 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.553 -6.527 2.797 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.159 -7.136 2.825 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.701 -5.478 3.889 1.00 0.00 C ATOM 0 H LEU A 66 -10.043 -7.166 0.583 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.472 -4.665 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.682 -6.683 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.117 -5.126 1.239 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.278 -7.320 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.969 -7.565 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.088 -7.917 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.420 -6.362 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.490 -5.930 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.000 -4.663 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.719 -5.089 3.884 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.318 -3.219 0.055 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.371 -2.345 -1.110 1.00 0.00 C ATOM 1041 C ILE A 67 -8.370 -1.200 -0.984 1.00 0.00 C ATOM 1042 O ILE A 67 -7.876 -0.913 0.105 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.781 -1.759 -1.312 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.292 -1.142 -0.008 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.736 -2.836 -1.805 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.602 -0.403 -0.162 1.00 0.00 C ATOM 0 H ILE A 67 -9.291 -2.729 0.949 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.114 -2.957 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.728 -0.974 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.414 -1.931 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.540 -0.455 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.728 -2.407 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.377 -3.234 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.787 -3.640 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.903 0.008 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.480 0.408 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.368 -1.091 -0.519 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.078 -0.551 -2.106 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.138 0.563 -2.121 1.00 0.00 C ATOM 1060 C GLN A 68 -7.866 1.892 -1.952 1.00 0.00 C ATOM 1061 O GLN A 68 -8.712 2.256 -2.769 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.340 0.567 -3.426 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.694 -0.771 -3.749 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.166 -0.837 -5.168 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.818 -0.379 -6.107 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.979 -1.408 -5.333 1.00 0.00 N ATOM 0 H GLN A 68 -8.479 -0.777 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.451 0.437 -1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.001 0.849 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.564 1.330 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.876 -0.953 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.423 -1.568 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.473 -1.774 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.573 -1.480 -6.266 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.531 2.613 -0.888 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.153 3.903 -0.612 1.00 0.00 C ATOM 1077 C ASP A 69 -7.442 5.022 -1.368 1.00 0.00 C ATOM 1078 O ASP A 69 -6.307 5.373 -1.052 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.131 4.193 0.890 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.012 5.368 1.266 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -8.864 6.443 0.646 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.849 5.214 2.178 1.00 0.00 O ATOM 0 H ASP A 69 -6.832 2.326 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.188 3.859 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.461 3.307 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.107 4.396 1.203 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.120 5.575 -2.369 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.552 6.652 -3.172 1.00 0.00 C ATOM 1089 C GLU A 70 -7.534 7.962 -2.389 1.00 0.00 C ATOM 1090 O GLU A 70 -6.544 8.692 -2.404 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.349 6.829 -4.466 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.479 6.956 -5.705 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.289 6.986 -6.986 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.286 7.736 -7.040 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.927 6.259 -7.935 1.00 0.00 O ATOM 0 H GLU A 70 -9.062 5.296 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.525 6.383 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.019 5.978 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.974 7.718 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.884 7.866 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.780 6.120 -5.741 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.638 8.252 -1.708 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.749 9.472 -0.918 1.00 0.00 C ATOM 1104 C ALA A 71 -7.574 9.613 0.043 1.00 0.00 C ATOM 1105 O ALA A 71 -7.173 10.725 0.392 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.064 9.488 -0.153 1.00 0.00 C ATOM 0 H ALA A 71 -9.468 7.659 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.729 10.321 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.133 10.405 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.895 9.443 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.107 8.627 0.514 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.025 8.481 0.470 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.895 8.478 1.392 1.00 0.00 C ATOM 1114 C LEU A 72 -4.573 8.450 0.633 1.00 0.00 C ATOM 1115 O LEU A 72 -3.612 9.118 1.015 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.983 7.275 2.333 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.470 7.497 3.756 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.300 8.558 4.463 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.490 6.193 4.540 1.00 0.00 C ATOM 0 H LEU A 72 -7.344 7.553 0.192 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.935 9.395 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.024 6.958 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.423 6.451 1.891 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.440 7.848 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.920 8.703 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.235 9.497 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.340 8.236 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.122 6.370 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.510 5.813 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.852 5.461 4.045 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.531 7.674 -0.445 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.327 7.559 -1.258 1.00 0.00 C ATOM 1133 C ARG A 73 -2.835 8.935 -1.698 1.00 0.00 C ATOM 1134 O ARG A 73 -1.658 9.262 -1.548 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.595 6.686 -2.485 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.884 5.343 -2.444 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.457 4.896 -3.833 1.00 0.00 C ATOM 1138 NE ARG A 73 -3.573 4.899 -4.776 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.422 4.835 -6.094 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.208 4.762 -6.622 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.486 4.843 -6.886 1.00 0.00 N ATOM 0 H ARG A 73 -5.318 7.115 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.552 7.091 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.668 6.517 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.283 7.225 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.009 5.413 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.544 4.594 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.670 5.555 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.033 3.894 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.520 4.953 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.388 4.755 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.094 4.713 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.421 4.898 -6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.369 4.794 -7.898 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.745 9.737 -2.242 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.404 11.077 -2.705 1.00 0.00 C ATOM 1157 C ARG A 74 -3.022 11.976 -1.533 1.00 0.00 C ATOM 1158 O ARG A 74 -2.199 12.881 -1.675 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.579 11.689 -3.470 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.710 11.179 -4.896 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.156 10.861 -5.243 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.420 11.009 -6.672 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.425 12.178 -7.302 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -6.182 13.296 -6.633 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -6.674 12.231 -8.604 1.00 0.00 N ATOM 0 H ARG A 74 -4.724 9.482 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.547 10.997 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.502 11.477 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.464 12.773 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.325 11.928 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.099 10.285 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.387 9.841 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.817 11.521 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.611 10.168 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.991 13.260 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.186 14.193 -7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.862 11.373 -9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.677 13.130 -9.086 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.625 11.722 -0.377 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.347 12.507 0.819 1.00 0.00 C ATOM 1181 C ALA A 75 -1.880 12.398 1.218 1.00 0.00 C ATOM 1182 O ALA A 75 -1.178 13.405 1.319 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.242 12.058 1.965 1.00 0.00 C ATOM 0 H ALA A 75 -4.310 10.978 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.559 13.552 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.023 12.653 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.287 12.194 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.058 11.005 2.180 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.422 11.171 1.445 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.038 10.932 1.833 1.00 0.00 C ATOM 1191 C ILE A 76 0.929 11.512 0.806 1.00 0.00 C ATOM 1192 O ILE A 76 1.933 12.127 1.163 1.00 0.00 O ATOM 1193 CB ILE A 76 0.249 9.428 1.999 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.697 8.818 3.036 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.699 9.207 2.401 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.731 7.306 3.006 1.00 0.00 C ATOM 0 H ILE A 76 -1.990 10.327 1.367 1.00 0.00 H new ATOM 0 HA ILE A 76 0.111 11.430 2.791 1.00 0.00 H new ATOM 0 HB ILE A 76 0.078 8.932 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.394 9.147 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.704 9.200 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.886 8.139 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.356 9.611 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.895 9.712 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.422 6.942 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.063 6.969 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.267 6.916 3.206 1.00 0.00 H new ATOM 1208 N GLU A 77 0.617 11.313 -0.471 1.00 0.00 N ATOM 1209 CA GLU A 77 1.458 11.818 -1.550 1.00 0.00 C ATOM 1210 C GLU A 77 1.611 13.333 -1.457 1.00 0.00 C ATOM 1211 O GLU A 77 2.602 13.897 -1.920 1.00 0.00 O ATOM 1212 CB GLU A 77 0.866 11.437 -2.909 1.00 0.00 C ATOM 1213 CG GLU A 77 1.461 10.169 -3.498 1.00 0.00 C ATOM 1214 CD GLU A 77 1.322 10.105 -5.006 1.00 0.00 C ATOM 1215 OE1 GLU A 77 0.319 10.630 -5.532 1.00 0.00 O ATOM 1216 OE2 GLU A 77 2.217 9.530 -5.660 1.00 0.00 O ATOM 0 H GLU A 77 -0.211 10.806 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 77 2.444 11.364 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.211 11.308 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.021 12.260 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.516 10.110 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.971 9.302 -3.055 1.00 0.00 H new ATOM 1223 N ASN A 78 0.622 13.987 -0.856 1.00 0.00 N ATOM 1224 CA ASN A 78 0.646 15.437 -0.703 1.00 0.00 C ATOM 1225 C ASN A 78 1.627 15.853 0.389 1.00 0.00 C ATOM 1226 O ASN A 78 2.158 16.963 0.372 1.00 0.00 O ATOM 1227 CB ASN A 78 -0.754 15.959 -0.372 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.118 17.188 -1.181 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -0.907 18.319 -0.742 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -1.670 16.972 -2.369 1.00 0.00 N ATOM 0 H ASN A 78 -0.206 13.536 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 78 0.975 15.871 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.486 15.173 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.808 16.197 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.938 17.761 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.826 16.017 -2.693 1.00 0.00 H new ATOM 1237 N HIS A 79 1.864 14.953 1.339 1.00 0.00 N ATOM 1238 CA HIS A 79 2.782 15.225 2.438 1.00 0.00 C ATOM 1239 C HIS A 79 4.223 14.934 2.028 1.00 0.00 C ATOM 1240 O HIS A 79 5.156 15.575 2.508 1.00 0.00 O ATOM 1241 CB HIS A 79 2.409 14.388 3.662 1.00 0.00 C ATOM 1242 CG HIS A 79 2.768 15.036 4.964 1.00 0.00 C ATOM 1243 ND1 HIS A 79 3.710 16.037 5.071 1.00 0.00 N ATOM 1244 CD2 HIS A 79 2.304 14.822 6.217 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.812 16.409 6.335 1.00 0.00 C ATOM 1246 NE2 HIS A 79 2.968 15.688 7.051 1.00 0.00 N ATOM 0 H HIS A 79 1.432 14.029 1.369 1.00 0.00 H new ATOM 0 HA HIS A 79 2.702 16.282 2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.337 14.194 3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.909 13.422 3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.245 16.429 4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.551 14.104 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.473 17.173 6.718 1.00 0.00 H new ATOM 1254 N ASN A 80 4.394 13.961 1.139 1.00 0.00 N ATOM 1255 CA ASN A 80 5.721 13.583 0.666 1.00 0.00 C ATOM 1256 C ASN A 80 6.198 14.531 -0.430 1.00 0.00 C ATOM 1257 O ASN A 80 7.333 15.008 -0.404 1.00 0.00 O ATOM 1258 CB ASN A 80 5.709 12.146 0.142 1.00 0.00 C ATOM 1259 CG ASN A 80 4.823 11.236 0.972 1.00 0.00 C ATOM 1260 OD1 ASN A 80 3.977 10.519 0.437 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.014 11.261 2.285 1.00 0.00 N ATOM 0 H ASN A 80 3.631 13.420 0.732 1.00 0.00 H new ATOM 0 HA ASN A 80 6.411 13.650 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.363 12.142 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.726 11.755 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.448 10.670 2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.727 11.871 2.685 1.00 0.00 H new ATOM 1268 N LYS A 81 5.323 14.801 -1.393 1.00 0.00 N ATOM 1269 CA LYS A 81 5.652 15.694 -2.498 1.00 0.00 C ATOM 1270 C LYS A 81 6.084 17.063 -1.981 1.00 0.00 C ATOM 1271 O LYS A 81 6.855 17.769 -2.632 1.00 0.00 O ATOM 1272 CB LYS A 81 4.450 15.846 -3.433 1.00 0.00 C ATOM 1273 CG LYS A 81 3.333 16.697 -2.854 1.00 0.00 C ATOM 1274 CD LYS A 81 3.420 18.135 -3.336 1.00 0.00 C ATOM 1275 CE LYS A 81 2.047 18.693 -3.678 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.785 19.985 -2.986 1.00 0.00 N ATOM 0 H LYS A 81 4.380 14.414 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 81 6.482 15.256 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.784 16.289 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.057 14.857 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.369 16.275 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.384 16.674 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.882 18.751 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.064 18.187 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.972 18.837 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.281 17.970 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.840 20.332 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.832 19.843 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.501 20.683 -3.272 1.00 0.00 H new ATOM 1290 N LYS A 82 5.584 17.432 -0.807 1.00 0.00 N ATOM 1291 CA LYS A 82 5.920 18.715 -0.201 1.00 0.00 C ATOM 1292 C LYS A 82 7.317 18.678 0.411 1.00 0.00 C ATOM 1293 O LYS A 82 7.996 19.702 0.490 1.00 0.00 O ATOM 1294 CB LYS A 82 4.891 19.080 0.872 1.00 0.00 C ATOM 1295 CG LYS A 82 4.065 20.308 0.530 1.00 0.00 C ATOM 1296 CD LYS A 82 2.743 20.318 1.279 1.00 0.00 C ATOM 1297 CE LYS A 82 2.405 21.708 1.795 1.00 0.00 C ATOM 1298 NZ LYS A 82 1.076 22.171 1.310 1.00 0.00 N ATOM 0 H LYS A 82 4.944 16.860 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 82 5.905 19.474 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.222 18.233 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.408 19.252 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.630 21.207 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.876 20.333 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.948 19.970 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.792 19.620 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.412 21.703 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.174 22.411 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.882 23.122 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.077 22.201 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.339 21.514 1.637 1.00 0.00 H new ATOM 1312 N ARG A 83 7.739 17.494 0.840 1.00 0.00 N ATOM 1313 CA ARG A 83 9.055 17.325 1.444 1.00 0.00 C ATOM 1314 C ARG A 83 9.255 18.307 2.595 1.00 0.00 C ATOM 1315 O ARG A 83 10.296 18.958 2.695 1.00 0.00 O ATOM 1316 CB ARG A 83 10.150 17.523 0.394 1.00 0.00 C ATOM 1317 CG ARG A 83 11.374 16.650 0.619 1.00 0.00 C ATOM 1318 CD ARG A 83 12.430 16.886 -0.450 1.00 0.00 C ATOM 1319 NE ARG A 83 12.069 16.267 -1.722 1.00 0.00 N ATOM 1320 CZ ARG A 83 12.073 14.954 -1.928 1.00 0.00 C ATOM 1321 NH1 ARG A 83 12.417 14.127 -0.951 1.00 0.00 N ATOM 1322 NH2 ARG A 83 11.731 14.467 -3.114 1.00 0.00 N ATOM 0 H ARG A 83 7.189 16.637 0.781 1.00 0.00 H new ATOM 0 HA ARG A 83 9.119 16.311 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.738 17.310 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.456 18.569 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.796 16.860 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.079 15.601 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.566 17.958 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.385 16.486 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 83 11.799 16.875 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.680 14.498 -0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.419 13.120 -1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.465 15.100 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.734 13.459 -3.272 1.00 0.00 H new ATOM 1336 N HIS A 84 8.252 18.408 3.461 1.00 0.00 N ATOM 1337 CA HIS A 84 8.318 19.311 4.605 1.00 0.00 C ATOM 1338 C HIS A 84 9.099 18.678 5.752 1.00 0.00 C ATOM 1339 O HIS A 84 8.775 17.580 6.205 1.00 0.00 O ATOM 1340 CB HIS A 84 6.909 19.678 5.073 1.00 0.00 C ATOM 1341 CG HIS A 84 6.864 20.906 5.929 1.00 0.00 C ATOM 1342 ND1 HIS A 84 6.613 22.165 5.426 1.00 0.00 N ATOM 1343 CD2 HIS A 84 7.037 21.063 7.262 1.00 0.00 C ATOM 1344 CE1 HIS A 84 6.636 23.044 6.412 1.00 0.00 C ATOM 1345 NE2 HIS A 84 6.891 22.401 7.537 1.00 0.00 N ATOM 0 H HIS A 84 7.384 17.876 3.393 1.00 0.00 H new ATOM 0 HA HIS A 84 8.837 20.217 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.273 19.829 4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.491 18.840 5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.250 20.282 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.474 24.107 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.967 22.828 8.460 1.00 0.00 H new ATOM 1353 N ARG A 85 10.130 19.376 6.215 1.00 0.00 N ATOM 1354 CA ARG A 85 10.959 18.881 7.308 1.00 0.00 C ATOM 1355 C ARG A 85 11.566 17.525 6.959 1.00 0.00 C ATOM 1356 O ARG A 85 11.092 16.485 7.418 1.00 0.00 O ATOM 1357 CB ARG A 85 10.134 18.768 8.591 1.00 0.00 C ATOM 1358 CG ARG A 85 10.977 18.734 9.856 1.00 0.00 C ATOM 1359 CD ARG A 85 10.421 17.746 10.869 1.00 0.00 C ATOM 1360 NE ARG A 85 10.683 16.362 10.485 1.00 0.00 N ATOM 1361 CZ ARG A 85 10.426 15.320 11.268 1.00 0.00 C ATOM 1362 NH1 ARG A 85 9.903 15.506 12.473 1.00 0.00 N ATOM 1363 NH2 ARG A 85 10.692 14.091 10.848 1.00 0.00 N ATOM 0 H ARG A 85 10.412 20.286 5.851 1.00 0.00 H new ATOM 0 HA ARG A 85 11.770 19.592 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.446 19.611 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.527 17.864 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.002 18.461 9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.012 19.730 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.863 17.941 11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.346 17.897 10.970 1.00 0.00 H new ATOM 0 HE ARG A 85 11.086 16.185 9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.698 16.450 12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.706 14.705 13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.095 13.944 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.494 13.292 11.451 1.00 0.00 H new ATOM 1377 N HIS A 86 12.616 17.544 6.144 1.00 0.00 N ATOM 1378 CA HIS A 86 13.287 16.316 5.733 1.00 0.00 C ATOM 1379 C HIS A 86 14.777 16.560 5.510 1.00 0.00 C ATOM 1380 O HIS A 86 15.617 16.046 6.248 1.00 0.00 O ATOM 1381 CB HIS A 86 12.652 15.765 4.456 1.00 0.00 C ATOM 1382 CG HIS A 86 12.945 14.316 4.219 1.00 0.00 C ATOM 1383 ND1 HIS A 86 12.594 13.321 5.107 1.00 0.00 N ATOM 1384 CD2 HIS A 86 13.560 13.695 3.185 1.00 0.00 C ATOM 1385 CE1 HIS A 86 12.981 12.151 4.630 1.00 0.00 C ATOM 1386 NE2 HIS A 86 13.569 12.350 3.464 1.00 0.00 N ATOM 0 H HIS A 86 13.020 18.396 5.755 1.00 0.00 H new ATOM 0 HA HIS A 86 13.172 15.583 6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.572 15.905 4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 86 13.009 16.344 3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.968 14.169 2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.840 11.195 5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 86 13.965 11.623 2.868 1.00 0.00 H new ATOM 1394 N SER A 87 15.096 17.347 4.487 1.00 0.00 N ATOM 1395 CA SER A 87 16.484 17.655 4.164 1.00 0.00 C ATOM 1396 C SER A 87 16.566 18.785 3.142 1.00 0.00 C ATOM 1397 O SER A 87 17.282 18.684 2.146 1.00 0.00 O ATOM 1398 CB SER A 87 17.192 16.411 3.623 1.00 0.00 C ATOM 1399 OG SER A 87 18.545 16.691 3.309 1.00 0.00 O ATOM 0 H SER A 87 14.412 17.783 3.868 1.00 0.00 H new ATOM 0 HA SER A 87 16.981 17.979 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.145 15.611 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.675 16.053 2.733 1.00 0.00 H new ATOM 0 HG SER A 87 18.583 17.378 2.612 1.00 0.00 H new ATOM 1405 N GLU A 88 15.826 19.860 3.397 1.00 0.00 N ATOM 1406 CA GLU A 88 15.815 21.008 2.499 1.00 0.00 C ATOM 1407 C GLU A 88 17.230 21.524 2.256 1.00 0.00 C ATOM 1408 O GLU A 88 18.162 21.174 2.980 1.00 0.00 O ATOM 1409 CB GLU A 88 14.945 22.127 3.077 1.00 0.00 C ATOM 1410 CG GLU A 88 13.475 22.005 2.712 1.00 0.00 C ATOM 1411 CD GLU A 88 12.734 23.323 2.828 1.00 0.00 C ATOM 1412 OE1 GLU A 88 12.934 24.029 3.839 1.00 0.00 O ATOM 1413 OE2 GLU A 88 11.954 23.649 1.909 1.00 0.00 O ATOM 0 H GLU A 88 15.227 19.959 4.217 1.00 0.00 H new ATOM 0 HA GLU A 88 15.396 20.686 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.042 22.127 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.320 23.087 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.388 21.632 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.003 21.269 3.362 1.00 0.00 H new ATOM 1420 N SER A 89 17.383 22.357 1.232 1.00 0.00 N ATOM 1421 CA SER A 89 18.685 22.918 0.890 1.00 0.00 C ATOM 1422 C SER A 89 18.564 24.399 0.544 1.00 0.00 C ATOM 1423 O SER A 89 17.679 24.802 -0.209 1.00 0.00 O ATOM 1424 CB SER A 89 19.299 22.156 -0.287 1.00 0.00 C ATOM 1425 OG SER A 89 20.488 21.491 0.101 1.00 0.00 O ATOM 0 H SER A 89 16.621 22.659 0.624 1.00 0.00 H new ATOM 0 HA SER A 89 19.336 22.817 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.581 21.430 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.515 22.849 -1.100 1.00 0.00 H new ATOM 0 HG SER A 89 20.860 21.010 -0.668 1.00 0.00 H new ATOM 1431 N GLY A 90 19.463 25.205 1.101 1.00 0.00 N ATOM 1432 CA GLY A 90 19.441 26.632 0.841 1.00 0.00 C ATOM 1433 C GLY A 90 18.150 27.285 1.295 1.00 0.00 C ATOM 1434 O GLY A 90 17.193 26.614 1.681 1.00 0.00 O ATOM 0 H GLY A 90 20.206 24.895 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.282 27.104 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.576 26.806 -0.227 1.00 0.00 H new ATOM 1438 N PRO A 91 18.113 28.625 1.254 1.00 0.00 N ATOM 1439 CA PRO A 91 16.936 29.397 1.662 1.00 0.00 C ATOM 1440 C PRO A 91 15.773 29.237 0.689 1.00 0.00 C ATOM 1441 O PRO A 91 15.948 29.333 -0.525 1.00 0.00 O ATOM 1442 CB PRO A 91 17.442 30.842 1.658 1.00 0.00 C ATOM 1443 CG PRO A 91 18.576 30.844 0.693 1.00 0.00 C ATOM 1444 CD PRO A 91 19.218 29.489 0.805 1.00 0.00 C ATOM 0 HA PRO A 91 16.547 29.070 2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.659 31.535 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 91 17.767 31.150 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 91 18.224 31.026 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 91 19.289 31.634 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 91 19.625 29.157 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 91 20.042 29.492 1.519 1.00 0.00 H new ATOM 1452 N SER A 92 14.584 28.994 1.232 1.00 0.00 N ATOM 1453 CA SER A 92 13.391 28.818 0.411 1.00 0.00 C ATOM 1454 C SER A 92 12.317 29.834 0.788 1.00 0.00 C ATOM 1455 O SER A 92 12.405 30.491 1.825 1.00 0.00 O ATOM 1456 CB SER A 92 12.843 27.398 0.569 1.00 0.00 C ATOM 1457 OG SER A 92 12.224 26.955 -0.626 1.00 0.00 O ATOM 0 H SER A 92 14.421 28.915 2.236 1.00 0.00 H new ATOM 0 HA SER A 92 13.670 28.979 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.653 26.720 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.123 27.372 1.387 1.00 0.00 H new ATOM 0 HG SER A 92 11.884 26.045 -0.500 1.00 0.00 H new ATOM 1463 N SER A 93 11.304 29.958 -0.063 1.00 0.00 N ATOM 1464 CA SER A 93 10.214 30.897 0.177 1.00 0.00 C ATOM 1465 C SER A 93 8.861 30.222 -0.027 1.00 0.00 C ATOM 1466 O SER A 93 8.442 29.974 -1.156 1.00 0.00 O ATOM 1467 CB SER A 93 10.339 32.105 -0.754 1.00 0.00 C ATOM 1468 OG SER A 93 10.792 33.247 -0.048 1.00 0.00 O ATOM 0 H SER A 93 11.215 29.420 -0.925 1.00 0.00 H new ATOM 0 HA SER A 93 10.280 31.235 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.032 31.875 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.373 32.316 -1.213 1.00 0.00 H new ATOM 0 HG SER A 93 10.865 34.005 -0.665 1.00 0.00 H new ATOM 1474 N GLY A 94 8.182 29.926 1.078 1.00 0.00 N ATOM 1475 CA GLY A 94 6.884 29.282 1.000 1.00 0.00 C ATOM 1476 C GLY A 94 5.744 30.241 1.283 1.00 0.00 C ATOM 1477 O GLY A 94 5.628 31.253 0.594 1.00 0.00 O ATOM 0 H GLY A 94 8.508 30.121 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.754 28.851 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.847 28.458 1.712 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.018 -1.849 13.088 1.00 0.00 ZN