USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.029 (180deg=-1.56!) USER MOD Single : A 4 GLN : amide:sc= -0.832 K(o=-0.83,f=-0.065) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 61:sc= -2.31! USER MOD Single : A 12 THR OG1 : rot -169:sc= 1.08 USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -3.83! (180deg=-6.12!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.878 K(o=-0.88,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.0102 (180deg=-0.542) USER MOD Single : A 22 MET CE :methyl -112:sc= -3.24! (180deg=-10.9!) USER MOD Single : A 24 ASN : amide:sc= -13.1! C(o=-13!,f=-17!) USER MOD Single : A 29 THR OG1 : rot 67:sc= 0.698 USER MOD Single : A 33 SER OG : rot -150:sc= -1.64! USER MOD Single : A 45 ASN : amide:sc= -3.25! C(o=-3.2!,f=-2.9!) USER MOD Single : A 51 THR OG1 : rot 138:sc= 0.654 USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= -0.923 (180deg=-2.17!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.211 USER MOD Single : A 57 ASN : amide:sc= -17.6! C(o=-18!,f=-22!) USER MOD Single : A 61 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.633 -7.059 -8.804 1.00 0.00 N ATOM 2 CA MET A 1 -10.915 -5.652 -8.401 1.00 0.00 C ATOM 3 C MET A 1 -11.491 -5.611 -6.983 1.00 0.00 C ATOM 4 O MET A 1 -12.450 -6.290 -6.672 1.00 0.00 O ATOM 5 CB MET A 1 -11.945 -5.148 -9.413 1.00 0.00 C ATOM 6 CG MET A 1 -11.423 -5.381 -10.832 1.00 0.00 C ATOM 7 SD MET A 1 -12.437 -6.636 -11.649 1.00 0.00 S ATOM 8 CE MET A 1 -13.044 -5.594 -12.997 1.00 0.00 C ATOM 0 H1 MET A 1 -9.704 -7.107 -9.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.630 -7.668 -7.961 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.368 -7.385 -9.463 1.00 0.00 H new ATOM 0 HA MET A 1 -10.015 -5.037 -8.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.893 -5.668 -9.273 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.137 -4.087 -9.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.451 -4.450 -11.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.382 -5.703 -10.800 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.703 -6.178 -13.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.595 -4.749 -12.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.200 -5.227 -13.581 1.00 0.00 H new ATOM 20 N ASP A 2 -10.912 -4.823 -6.120 1.00 0.00 N ATOM 21 CA ASP A 2 -11.426 -4.740 -4.722 1.00 0.00 C ATOM 22 C ASP A 2 -11.468 -6.135 -4.091 1.00 0.00 C ATOM 23 O ASP A 2 -10.847 -7.062 -4.572 1.00 0.00 O ATOM 24 CB ASP A 2 -12.838 -4.167 -4.852 1.00 0.00 C ATOM 25 CG ASP A 2 -12.811 -2.939 -5.764 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.726 -2.527 -6.138 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.877 -2.432 -6.073 1.00 0.00 O ATOM 0 H ASP A 2 -10.105 -4.232 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.793 -4.122 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.511 -4.921 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.223 -3.894 -3.869 1.00 0.00 H new ATOM 32 N ASP A 3 -12.195 -6.292 -3.019 1.00 0.00 N ATOM 33 CA ASP A 3 -12.276 -7.627 -2.359 1.00 0.00 C ATOM 34 C ASP A 3 -10.872 -8.133 -2.014 1.00 0.00 C ATOM 35 O ASP A 3 -10.096 -8.481 -2.882 1.00 0.00 O ATOM 36 CB ASP A 3 -12.936 -8.541 -3.392 1.00 0.00 C ATOM 37 CG ASP A 3 -14.239 -9.102 -2.820 1.00 0.00 C ATOM 38 OD1 ASP A 3 -14.173 -10.087 -2.104 1.00 0.00 O ATOM 39 OD2 ASP A 3 -15.282 -8.537 -3.108 1.00 0.00 O ATOM 0 H ASP A 3 -12.737 -5.553 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.839 -7.593 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.138 -7.986 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.262 -9.356 -3.655 1.00 0.00 H new ATOM 44 N GLN A 4 -10.539 -8.174 -0.753 1.00 0.00 N ATOM 45 CA GLN A 4 -9.184 -8.655 -0.356 1.00 0.00 C ATOM 46 C GLN A 4 -8.111 -7.709 -0.900 1.00 0.00 C ATOM 47 O GLN A 4 -6.932 -8.002 -0.863 1.00 0.00 O ATOM 48 CB GLN A 4 -9.052 -10.039 -0.991 1.00 0.00 C ATOM 49 CG GLN A 4 -7.944 -10.823 -0.284 1.00 0.00 C ATOM 50 CD GLN A 4 -7.286 -11.785 -1.274 1.00 0.00 C ATOM 51 OE1 GLN A 4 -6.156 -12.191 -1.086 1.00 0.00 O ATOM 52 NE2 GLN A 4 -7.950 -12.170 -2.330 1.00 0.00 N ATOM 0 H GLN A 4 -11.145 -7.896 0.019 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.058 -8.692 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.997 -10.577 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.824 -9.943 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.200 -10.137 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.358 -11.378 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.898 -11.830 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.520 -12.811 -2.997 1.00 0.00 H new ATOM 61 N GLY A 5 -8.511 -6.573 -1.405 1.00 0.00 N ATOM 62 CA GLY A 5 -7.518 -5.608 -1.951 1.00 0.00 C ATOM 63 C GLY A 5 -6.718 -4.991 -0.804 1.00 0.00 C ATOM 64 O GLY A 5 -6.120 -5.688 -0.008 1.00 0.00 O ATOM 0 H GLY A 5 -9.484 -6.273 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.847 -6.115 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.027 -4.826 -2.514 1.00 0.00 H new ATOM 68 N CYS A 6 -6.698 -3.687 -0.720 1.00 0.00 N ATOM 69 CA CYS A 6 -5.935 -3.006 0.362 1.00 0.00 C ATOM 70 C CYS A 6 -5.986 -3.795 1.683 1.00 0.00 C ATOM 71 O CYS A 6 -7.046 -4.029 2.227 1.00 0.00 O ATOM 72 CB CYS A 6 -6.629 -1.651 0.540 1.00 0.00 C ATOM 73 SG CYS A 6 -6.164 -0.964 2.138 1.00 0.00 S ATOM 0 H CYS A 6 -7.183 -3.060 -1.362 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.881 -2.915 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.340 -0.971 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.711 -1.771 0.481 1.00 0.00 H new ATOM 78 N PRO A 7 -4.822 -4.139 2.171 1.00 0.00 N ATOM 79 CA PRO A 7 -4.708 -4.857 3.456 1.00 0.00 C ATOM 80 C PRO A 7 -4.567 -3.862 4.627 1.00 0.00 C ATOM 81 O PRO A 7 -4.918 -4.161 5.751 1.00 0.00 O ATOM 82 CB PRO A 7 -3.418 -5.651 3.287 1.00 0.00 C ATOM 83 CG PRO A 7 -2.602 -4.889 2.281 1.00 0.00 C ATOM 84 CD PRO A 7 -3.511 -3.916 1.566 1.00 0.00 C ATOM 0 HA PRO A 7 -5.578 -5.474 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.887 -5.742 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.624 -6.663 2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.791 -4.356 2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.144 -5.574 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.179 -2.887 1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.531 -4.104 0.493 1.00 0.00 H new ATOM 92 N ARG A 8 -4.032 -2.689 4.373 1.00 0.00 N ATOM 93 CA ARG A 8 -3.843 -1.685 5.474 1.00 0.00 C ATOM 94 C ARG A 8 -5.077 -0.777 5.622 1.00 0.00 C ATOM 95 O ARG A 8 -5.784 -0.838 6.609 1.00 0.00 O ATOM 96 CB ARG A 8 -2.611 -0.871 5.051 1.00 0.00 C ATOM 97 CG ARG A 8 -1.782 -0.491 6.277 1.00 0.00 C ATOM 98 CD ARG A 8 -0.296 -0.609 5.931 1.00 0.00 C ATOM 99 NE ARG A 8 0.145 -1.886 6.557 1.00 0.00 N ATOM 100 CZ ARG A 8 0.037 -2.051 7.847 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.451 -1.119 8.660 1.00 0.00 N ATOM 102 NH2 ARG A 8 -0.484 -3.149 8.324 1.00 0.00 N ATOM 0 H ARG A 8 -3.718 -2.383 3.452 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.710 -2.165 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.003 -1.452 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.925 0.029 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.016 0.527 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.027 -1.145 7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.142 -0.625 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.269 0.238 6.321 1.00 0.00 H new ATOM 0 HE ARG A 8 0.531 -2.631 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.859 -0.262 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.367 -1.248 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.807 -3.878 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.568 -3.277 9.332 1.00 0.00 H new ATOM 116 N CYS A 9 -5.344 0.062 4.656 1.00 0.00 N ATOM 117 CA CYS A 9 -6.547 0.969 4.762 1.00 0.00 C ATOM 118 C CYS A 9 -7.750 0.361 4.032 1.00 0.00 C ATOM 119 O CYS A 9 -8.403 1.027 3.262 1.00 0.00 O ATOM 120 CB CYS A 9 -6.199 2.330 4.104 1.00 0.00 C ATOM 121 SG CYS A 9 -4.617 2.334 3.192 1.00 0.00 S ATOM 0 H CYS A 9 -4.794 0.165 3.803 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.803 1.099 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.001 2.606 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.162 3.097 4.878 1.00 0.00 H new ATOM 126 N LYS A 10 -8.005 -0.909 4.233 1.00 0.00 N ATOM 127 CA LYS A 10 -9.128 -1.599 3.511 1.00 0.00 C ATOM 128 C LYS A 10 -10.292 -0.649 3.187 1.00 0.00 C ATOM 129 O LYS A 10 -11.250 -0.541 3.927 1.00 0.00 O ATOM 130 CB LYS A 10 -9.579 -2.717 4.457 1.00 0.00 C ATOM 131 CG LYS A 10 -10.348 -2.126 5.639 1.00 0.00 C ATOM 132 CD LYS A 10 -10.186 -3.033 6.861 1.00 0.00 C ATOM 133 CE LYS A 10 -11.520 -3.715 7.173 1.00 0.00 C ATOM 134 NZ LYS A 10 -11.200 -5.167 7.259 1.00 0.00 N ATOM 0 H LYS A 10 -7.480 -1.506 4.872 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.796 -1.978 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.210 -3.426 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.712 -3.271 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.977 -1.126 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.403 -2.025 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.418 -3.783 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.855 -2.448 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.942 -3.348 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.256 -3.519 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.067 -5.702 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.807 -5.490 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.503 -5.325 8.014 1.00 0.00 H new ATOM 148 N THR A 11 -10.227 0.049 2.082 1.00 0.00 N ATOM 149 CA THR A 11 -11.343 0.978 1.747 1.00 0.00 C ATOM 150 C THR A 11 -11.219 1.496 0.309 1.00 0.00 C ATOM 151 O THR A 11 -12.182 1.605 -0.416 1.00 0.00 O ATOM 152 CB THR A 11 -11.174 2.129 2.751 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.410 2.809 2.906 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.105 3.115 2.254 1.00 0.00 C ATOM 0 H THR A 11 -9.462 0.016 1.408 1.00 0.00 H new ATOM 0 HA THR A 11 -12.319 0.497 1.809 1.00 0.00 H new ATOM 0 HB THR A 11 -10.859 1.718 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.084 2.187 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.995 3.926 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.153 2.595 2.145 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.408 3.524 1.290 1.00 0.00 H new ATOM 162 N THR A 12 -10.035 1.847 -0.073 1.00 0.00 N ATOM 163 CA THR A 12 -9.779 2.419 -1.421 1.00 0.00 C ATOM 164 C THR A 12 -10.426 1.639 -2.570 1.00 0.00 C ATOM 165 O THR A 12 -11.595 1.808 -2.855 1.00 0.00 O ATOM 166 CB THR A 12 -8.272 2.380 -1.507 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.807 1.108 -1.074 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.724 3.467 -0.594 1.00 0.00 C ATOM 0 H THR A 12 -9.202 1.760 0.510 1.00 0.00 H new ATOM 0 HA THR A 12 -10.215 3.412 -1.529 1.00 0.00 H new ATOM 0 HB THR A 12 -7.941 2.545 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.833 1.135 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.635 3.462 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.096 4.438 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.048 3.280 0.430 1.00 0.00 H new ATOM 176 N LYS A 13 -9.668 0.820 -3.254 1.00 0.00 N ATOM 177 CA LYS A 13 -10.217 0.060 -4.407 1.00 0.00 C ATOM 178 C LYS A 13 -11.660 -0.377 -4.128 1.00 0.00 C ATOM 179 O LYS A 13 -12.463 -0.499 -5.032 1.00 0.00 O ATOM 180 CB LYS A 13 -9.261 -1.123 -4.552 1.00 0.00 C ATOM 181 CG LYS A 13 -9.631 -2.220 -3.556 1.00 0.00 C ATOM 182 CD LYS A 13 -9.178 -1.812 -2.158 1.00 0.00 C ATOM 183 CE LYS A 13 -9.642 -2.869 -1.149 1.00 0.00 C ATOM 184 NZ LYS A 13 -9.829 -2.131 0.133 1.00 0.00 N ATOM 0 H LYS A 13 -8.682 0.647 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.275 0.643 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.305 -1.514 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.236 -0.795 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.708 -2.387 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.160 -3.160 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.093 -1.715 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.592 -0.838 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.571 -3.340 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.903 -3.663 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.377 -2.659 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.396 -1.189 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.845 -2.030 0.330 1.00 0.00 H new ATOM 198 N TYR A 14 -12.007 -0.578 -2.884 1.00 0.00 N ATOM 199 CA TYR A 14 -13.407 -0.963 -2.566 1.00 0.00 C ATOM 200 C TYR A 14 -14.294 0.276 -2.711 1.00 0.00 C ATOM 201 O TYR A 14 -15.320 0.247 -3.361 1.00 0.00 O ATOM 202 CB TYR A 14 -13.368 -1.485 -1.123 1.00 0.00 C ATOM 203 CG TYR A 14 -14.621 -2.277 -0.840 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.881 -1.691 -1.025 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.525 -3.601 -0.395 1.00 0.00 C ATOM 206 CE1 TYR A 14 -17.041 -2.429 -0.764 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.686 -4.339 -0.134 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.944 -3.752 -0.318 1.00 0.00 C ATOM 209 OH TYR A 14 -18.088 -4.480 -0.061 1.00 0.00 O ATOM 0 H TYR A 14 -11.384 -0.492 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.814 -1.727 -3.228 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.488 -2.111 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.287 -0.651 -0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.956 -0.670 -1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.555 -4.053 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.012 -1.977 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -15.611 -5.360 0.209 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.842 -5.380 0.239 1.00 0.00 H new ATOM 219 N ARG A 15 -13.883 1.378 -2.141 1.00 0.00 N ATOM 220 CA ARG A 15 -14.673 2.636 -2.279 1.00 0.00 C ATOM 221 C ARG A 15 -14.198 3.390 -3.520 1.00 0.00 C ATOM 222 O ARG A 15 -14.956 3.672 -4.428 1.00 0.00 O ATOM 223 CB ARG A 15 -14.378 3.447 -1.018 1.00 0.00 C ATOM 224 CG ARG A 15 -15.456 3.165 0.027 1.00 0.00 C ATOM 225 CD ARG A 15 -14.834 2.415 1.204 1.00 0.00 C ATOM 226 NE ARG A 15 -14.447 1.082 0.657 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.077 0.011 1.055 1.00 0.00 C ATOM 228 NH1 ARG A 15 -16.380 -0.035 1.008 1.00 0.00 N ATOM 229 NH2 ARG A 15 -14.403 -1.013 1.502 1.00 0.00 N ATOM 0 H ARG A 15 -13.032 1.461 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.741 2.449 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.396 3.184 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.353 4.511 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.900 4.100 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.259 2.573 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.967 2.947 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.543 2.313 2.025 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.693 1.008 -0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.906 0.766 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.872 -0.872 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.384 -0.976 1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.895 -1.851 1.813 1.00 0.00 H new ATOM 243 N ASN A 16 -12.934 3.710 -3.557 1.00 0.00 N ATOM 244 CA ASN A 16 -12.366 4.441 -4.724 1.00 0.00 C ATOM 245 C ASN A 16 -12.166 3.476 -5.897 1.00 0.00 C ATOM 246 O ASN A 16 -11.381 2.557 -5.815 1.00 0.00 O ATOM 247 CB ASN A 16 -11.016 4.958 -4.225 1.00 0.00 C ATOM 248 CG ASN A 16 -11.064 6.478 -4.080 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.043 7.106 -4.432 1.00 0.00 O ATOM 250 ND2 ASN A 16 -10.037 7.102 -3.570 1.00 0.00 N ATOM 0 H ASN A 16 -12.263 3.493 -2.820 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.014 5.243 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.773 4.500 -3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.228 4.675 -4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.056 8.117 -3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.215 6.575 -3.275 1.00 0.00 H new ATOM 257 N PRO A 17 -12.893 3.708 -6.952 1.00 0.00 N ATOM 258 CA PRO A 17 -12.794 2.847 -8.144 1.00 0.00 C ATOM 259 C PRO A 17 -11.758 3.391 -9.137 1.00 0.00 C ATOM 260 O PRO A 17 -11.322 2.693 -10.032 1.00 0.00 O ATOM 261 CB PRO A 17 -14.197 2.935 -8.736 1.00 0.00 C ATOM 262 CG PRO A 17 -14.761 4.248 -8.255 1.00 0.00 C ATOM 263 CD PRO A 17 -13.880 4.766 -7.138 1.00 0.00 C ATOM 0 HA PRO A 17 -12.476 1.830 -7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.166 2.898 -9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.814 2.099 -8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.798 4.967 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.783 4.115 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.407 5.711 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.452 4.944 -6.227 1.00 0.00 H new ATOM 271 N SER A 18 -11.370 4.629 -9.000 1.00 0.00 N ATOM 272 CA SER A 18 -10.375 5.205 -9.953 1.00 0.00 C ATOM 273 C SER A 18 -8.943 4.878 -9.514 1.00 0.00 C ATOM 274 O SER A 18 -8.060 4.704 -10.331 1.00 0.00 O ATOM 275 CB SER A 18 -10.614 6.714 -9.907 1.00 0.00 C ATOM 276 OG SER A 18 -10.519 7.244 -11.223 1.00 0.00 O ATOM 0 H SER A 18 -11.696 5.266 -8.273 1.00 0.00 H new ATOM 0 HA SER A 18 -10.492 4.797 -10.957 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.597 6.926 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.881 7.191 -9.257 1.00 0.00 H new ATOM 0 HG SER A 18 -10.673 8.211 -11.198 1.00 0.00 H new ATOM 282 N LEU A 19 -8.703 4.805 -8.236 1.00 0.00 N ATOM 283 CA LEU A 19 -7.321 4.503 -7.755 1.00 0.00 C ATOM 284 C LEU A 19 -6.974 3.030 -7.994 1.00 0.00 C ATOM 285 O LEU A 19 -7.650 2.346 -8.737 1.00 0.00 O ATOM 286 CB LEU A 19 -7.334 4.870 -6.266 1.00 0.00 C ATOM 287 CG LEU A 19 -7.700 3.678 -5.367 1.00 0.00 C ATOM 288 CD1 LEU A 19 -8.157 4.233 -4.023 1.00 0.00 C ATOM 289 CD2 LEU A 19 -8.844 2.853 -5.962 1.00 0.00 C ATOM 0 H LEU A 19 -9.399 4.940 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.555 5.066 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.352 5.248 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.047 5.678 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.828 3.031 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.424 3.409 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.349 4.811 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.025 4.876 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.075 2.019 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.727 3.483 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.546 2.469 -6.938 1.00 0.00 H new ATOM 301 N LYS A 20 -5.930 2.526 -7.388 1.00 0.00 N ATOM 302 CA LYS A 20 -5.578 1.092 -7.621 1.00 0.00 C ATOM 303 C LYS A 20 -4.510 0.618 -6.639 1.00 0.00 C ATOM 304 O LYS A 20 -4.063 1.352 -5.783 1.00 0.00 O ATOM 305 CB LYS A 20 -5.047 1.031 -9.055 1.00 0.00 C ATOM 306 CG LYS A 20 -4.205 2.275 -9.356 1.00 0.00 C ATOM 307 CD LYS A 20 -3.412 2.056 -10.647 1.00 0.00 C ATOM 308 CE LYS A 20 -3.714 3.190 -11.630 1.00 0.00 C ATOM 309 NZ LYS A 20 -3.177 4.417 -10.977 1.00 0.00 N ATOM 0 H LYS A 20 -5.315 3.034 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.442 0.444 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.445 0.133 -9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.878 0.966 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.850 3.148 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.525 2.475 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.344 2.024 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.676 1.096 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.237 3.015 -12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.785 3.277 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.843 5.080 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.927 4.869 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.386 4.160 -10.353 1.00 0.00 H new ATOM 323 N LEU A 21 -4.108 -0.617 -6.750 1.00 0.00 N ATOM 324 CA LEU A 21 -3.088 -1.150 -5.805 1.00 0.00 C ATOM 325 C LEU A 21 -1.745 -1.339 -6.506 1.00 0.00 C ATOM 326 O LEU A 21 -1.682 -1.585 -7.695 1.00 0.00 O ATOM 327 CB LEU A 21 -3.659 -2.498 -5.343 1.00 0.00 C ATOM 328 CG LEU A 21 -4.807 -2.301 -4.328 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.554 -0.980 -4.577 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.798 -3.459 -4.469 1.00 0.00 C ATOM 0 H LEU A 21 -4.440 -1.278 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.902 -0.473 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.024 -3.056 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.868 -3.095 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.378 -2.273 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.355 -0.872 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.860 -0.145 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.977 -0.985 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.613 -3.329 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.200 -3.472 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.288 -4.401 -4.269 1.00 0.00 H new ATOM 342 N MET A 22 -0.665 -1.209 -5.780 1.00 0.00 N ATOM 343 CA MET A 22 0.671 -1.363 -6.414 1.00 0.00 C ATOM 344 C MET A 22 1.391 -2.596 -5.864 1.00 0.00 C ATOM 345 O MET A 22 1.291 -2.926 -4.699 1.00 0.00 O ATOM 346 CB MET A 22 1.458 -0.082 -6.073 1.00 0.00 C ATOM 347 CG MET A 22 0.562 0.984 -5.423 1.00 0.00 C ATOM 348 SD MET A 22 1.544 2.458 -5.052 1.00 0.00 S ATOM 349 CE MET A 22 0.258 3.682 -5.404 1.00 0.00 C ATOM 0 H MET A 22 -0.653 -1.004 -4.781 1.00 0.00 H new ATOM 0 HA MET A 22 0.583 -1.501 -7.492 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.278 -0.328 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.904 0.323 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.259 1.241 -6.092 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.117 0.591 -4.509 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.530 4.250 -6.294 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.691 3.174 -5.574 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.160 4.361 -4.557 1.00 0.00 H new ATOM 359 N VAL A 23 2.122 -3.271 -6.706 1.00 0.00 N ATOM 360 CA VAL A 23 2.867 -4.485 -6.263 1.00 0.00 C ATOM 361 C VAL A 23 4.346 -4.136 -6.072 1.00 0.00 C ATOM 362 O VAL A 23 4.770 -3.032 -6.351 1.00 0.00 O ATOM 363 CB VAL A 23 2.663 -5.494 -7.399 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.859 -6.449 -7.491 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.392 -6.301 -7.133 1.00 0.00 C ATOM 0 H VAL A 23 2.237 -3.032 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 23 2.520 -4.885 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 23 2.573 -4.952 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.697 -7.158 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.767 -5.878 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.965 -6.991 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.242 -7.020 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.490 -6.832 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.537 -5.627 -7.085 1.00 0.00 H new ATOM 375 N ASN A 24 5.135 -5.057 -5.590 1.00 0.00 N ATOM 376 CA ASN A 24 6.580 -4.751 -5.375 1.00 0.00 C ATOM 377 C ASN A 24 7.469 -5.912 -5.832 1.00 0.00 C ATOM 378 O ASN A 24 6.997 -6.950 -6.248 1.00 0.00 O ATOM 379 CB ASN A 24 6.727 -4.541 -3.868 1.00 0.00 C ATOM 380 CG ASN A 24 5.550 -3.721 -3.334 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.064 -2.829 -3.998 1.00 0.00 O ATOM 382 ND2 ASN A 24 5.069 -3.985 -2.151 1.00 0.00 N ATOM 0 H ASN A 24 4.846 -6.002 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 24 6.889 -3.878 -5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.768 -5.505 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.665 -4.028 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.286 -3.442 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.475 -4.734 -1.591 1.00 0.00 H new ATOM 389 N VAL A 25 8.760 -5.724 -5.755 1.00 0.00 N ATOM 390 CA VAL A 25 9.723 -6.788 -6.177 1.00 0.00 C ATOM 391 C VAL A 25 9.202 -8.194 -5.828 1.00 0.00 C ATOM 392 O VAL A 25 8.854 -8.963 -6.702 1.00 0.00 O ATOM 393 CB VAL A 25 11.021 -6.466 -5.418 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.707 -5.997 -3.993 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.904 -7.712 -5.353 1.00 0.00 C ATOM 0 H VAL A 25 9.195 -4.867 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 25 9.872 -6.796 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 25 11.543 -5.670 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.637 -5.773 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.089 -5.100 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.172 -6.783 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.823 -7.479 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.371 -8.509 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.149 -8.038 -6.364 1.00 0.00 H new ATOM 405 N CYS A 26 9.146 -8.546 -4.567 1.00 0.00 N ATOM 406 CA CYS A 26 8.649 -9.906 -4.194 1.00 0.00 C ATOM 407 C CYS A 26 7.326 -10.191 -4.910 1.00 0.00 C ATOM 408 O CYS A 26 6.936 -11.328 -5.085 1.00 0.00 O ATOM 409 CB CYS A 26 8.458 -9.874 -2.669 1.00 0.00 C ATOM 410 SG CYS A 26 7.759 -8.284 -2.172 1.00 0.00 S ATOM 0 H CYS A 26 9.421 -7.954 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 26 9.344 -10.694 -4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.798 -10.684 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.414 -10.033 -2.170 1.00 0.00 H new ATOM 415 N GLY A 27 6.639 -9.166 -5.335 1.00 0.00 N ATOM 416 CA GLY A 27 5.350 -9.373 -6.050 1.00 0.00 C ATOM 417 C GLY A 27 4.227 -9.583 -5.037 1.00 0.00 C ATOM 418 O GLY A 27 3.884 -10.700 -4.700 1.00 0.00 O ATOM 0 H GLY A 27 6.917 -8.192 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.129 -8.510 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.424 -10.237 -6.710 1.00 0.00 H new ATOM 422 N HIS A 28 3.647 -8.522 -4.547 1.00 0.00 N ATOM 423 CA HIS A 28 2.549 -8.679 -3.558 1.00 0.00 C ATOM 424 C HIS A 28 1.417 -7.685 -3.847 1.00 0.00 C ATOM 425 O HIS A 28 0.730 -7.813 -4.840 1.00 0.00 O ATOM 426 CB HIS A 28 3.213 -8.453 -2.198 1.00 0.00 C ATOM 427 CG HIS A 28 3.693 -9.787 -1.707 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.896 -9.982 -1.026 1.00 0.00 N ATOM 429 CD2 HIS A 28 3.118 -11.031 -1.808 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.986 -11.300 -0.756 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.934 -11.978 -1.209 1.00 0.00 N ATOM 0 H HIS A 28 3.885 -7.560 -4.788 1.00 0.00 H new ATOM 0 HA HIS A 28 2.076 -9.660 -3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.045 -7.755 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.506 -8.016 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.171 -11.240 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.815 -11.753 -0.233 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.764 -12.981 -1.132 1.00 0.00 H new ATOM 439 N THR A 29 1.197 -6.704 -3.009 1.00 0.00 N ATOM 440 CA THR A 29 0.086 -5.748 -3.290 1.00 0.00 C ATOM 441 C THR A 29 -0.042 -4.712 -2.166 1.00 0.00 C ATOM 442 O THR A 29 -0.211 -5.044 -1.010 1.00 0.00 O ATOM 443 CB THR A 29 -1.169 -6.634 -3.383 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.410 -6.962 -4.745 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.397 -5.905 -2.822 1.00 0.00 C ATOM 0 H THR A 29 1.729 -6.526 -2.157 1.00 0.00 H new ATOM 0 HA THR A 29 0.250 -5.175 -4.202 1.00 0.00 H new ATOM 0 HB THR A 29 -0.999 -7.537 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.688 -7.536 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.271 -6.552 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.224 -5.652 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.570 -4.992 -3.392 1.00 0.00 H new ATOM 453 N LEU A 30 0.016 -3.458 -2.515 1.00 0.00 N ATOM 454 CA LEU A 30 -0.122 -2.374 -1.499 1.00 0.00 C ATOM 455 C LEU A 30 -1.017 -1.278 -2.082 1.00 0.00 C ATOM 456 O LEU A 30 -0.570 -0.427 -2.824 1.00 0.00 O ATOM 457 CB LEU A 30 1.302 -1.872 -1.279 1.00 0.00 C ATOM 458 CG LEU A 30 1.371 -0.983 -0.042 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.246 -1.822 1.221 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.706 -0.243 -0.020 1.00 0.00 C ATOM 0 H LEU A 30 0.155 -3.132 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.573 -2.700 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.978 -2.719 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.636 -1.314 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 30 0.549 -0.268 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.297 -1.173 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.292 -2.348 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.060 -2.546 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.755 0.392 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.522 -0.965 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.795 0.373 -0.915 1.00 0.00 H new ATOM 472 N CYS A 31 -2.287 -1.322 -1.784 1.00 0.00 N ATOM 473 CA CYS A 31 -3.229 -0.316 -2.359 1.00 0.00 C ATOM 474 C CYS A 31 -2.610 1.077 -2.419 1.00 0.00 C ATOM 475 O CYS A 31 -1.763 1.438 -1.626 1.00 0.00 O ATOM 476 CB CYS A 31 -4.483 -0.339 -1.461 1.00 0.00 C ATOM 477 SG CYS A 31 -4.585 1.141 -0.413 1.00 0.00 S ATOM 0 H CYS A 31 -2.715 -2.012 -1.166 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.478 -0.566 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.375 -0.407 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.465 -1.229 -0.833 1.00 0.00 H new ATOM 482 N GLU A 32 -3.064 1.865 -3.347 1.00 0.00 N ATOM 483 CA GLU A 32 -2.547 3.256 -3.464 1.00 0.00 C ATOM 484 C GLU A 32 -2.524 3.926 -2.075 1.00 0.00 C ATOM 485 O GLU A 32 -1.581 4.605 -1.721 1.00 0.00 O ATOM 486 CB GLU A 32 -3.524 3.963 -4.413 1.00 0.00 C ATOM 487 CG GLU A 32 -4.878 4.182 -3.728 1.00 0.00 C ATOM 488 CD GLU A 32 -5.499 2.835 -3.349 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.550 1.958 -4.190 1.00 0.00 O ATOM 490 OE2 GLU A 32 -5.884 2.697 -2.209 1.00 0.00 O ATOM 0 H GLU A 32 -3.773 1.607 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.526 3.297 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.108 4.921 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.659 3.367 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.748 4.795 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.548 4.726 -4.394 1.00 0.00 H new ATOM 497 N SER A 33 -3.556 3.735 -1.285 1.00 0.00 N ATOM 498 CA SER A 33 -3.599 4.351 0.075 1.00 0.00 C ATOM 499 C SER A 33 -2.637 3.636 1.037 1.00 0.00 C ATOM 500 O SER A 33 -2.337 4.146 2.098 1.00 0.00 O ATOM 501 CB SER A 33 -5.052 4.212 0.566 1.00 0.00 C ATOM 502 OG SER A 33 -5.820 5.291 0.049 1.00 0.00 O ATOM 0 H SER A 33 -4.373 3.175 -1.528 1.00 0.00 H new ATOM 0 HA SER A 33 -3.288 5.395 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.471 3.261 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.083 4.216 1.656 1.00 0.00 H new ATOM 0 HG SER A 33 -6.545 5.505 0.673 1.00 0.00 H new ATOM 508 N CYS A 34 -2.122 2.481 0.686 1.00 0.00 N ATOM 509 CA CYS A 34 -1.166 1.816 1.616 1.00 0.00 C ATOM 510 C CYS A 34 0.218 2.405 1.364 1.00 0.00 C ATOM 511 O CYS A 34 0.889 2.856 2.266 1.00 0.00 O ATOM 512 CB CYS A 34 -1.157 0.324 1.276 1.00 0.00 C ATOM 513 SG CYS A 34 -2.472 -0.555 2.140 1.00 0.00 S ATOM 0 H CYS A 34 -2.318 1.983 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.446 1.963 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.276 0.194 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.192 -0.106 1.545 1.00 0.00 H new ATOM 518 N VAL A 35 0.635 2.422 0.125 1.00 0.00 N ATOM 519 CA VAL A 35 1.963 3.002 -0.206 1.00 0.00 C ATOM 520 C VAL A 35 2.132 4.325 0.561 1.00 0.00 C ATOM 521 O VAL A 35 3.231 4.753 0.846 1.00 0.00 O ATOM 522 CB VAL A 35 1.932 3.196 -1.739 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.368 4.614 -2.128 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.874 2.187 -2.398 1.00 0.00 C ATOM 0 H VAL A 35 0.110 2.058 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 35 2.808 2.376 0.079 1.00 0.00 H new ATOM 0 HB VAL A 35 0.909 3.041 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.336 4.720 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.694 5.340 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.384 4.792 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.853 2.322 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.889 2.344 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.552 1.175 -2.153 1.00 0.00 H new ATOM 534 N ASP A 36 1.048 4.967 0.909 1.00 0.00 N ATOM 535 CA ASP A 36 1.151 6.246 1.667 1.00 0.00 C ATOM 536 C ASP A 36 1.400 5.949 3.157 1.00 0.00 C ATOM 537 O ASP A 36 2.408 6.337 3.706 1.00 0.00 O ATOM 538 CB ASP A 36 -0.191 6.967 1.409 1.00 0.00 C ATOM 539 CG ASP A 36 -1.060 7.022 2.672 1.00 0.00 C ATOM 540 OD1 ASP A 36 -0.641 7.655 3.628 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.127 6.431 2.659 1.00 0.00 O ATOM 0 H ASP A 36 0.098 4.661 0.701 1.00 0.00 H new ATOM 0 HA ASP A 36 1.985 6.874 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.003 7.980 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.734 6.452 0.616 1.00 0.00 H new ATOM 546 N LEU A 37 0.509 5.254 3.812 1.00 0.00 N ATOM 547 CA LEU A 37 0.729 4.946 5.255 1.00 0.00 C ATOM 548 C LEU A 37 1.935 4.026 5.411 1.00 0.00 C ATOM 549 O LEU A 37 2.715 4.150 6.332 1.00 0.00 O ATOM 550 CB LEU A 37 -0.549 4.244 5.714 1.00 0.00 C ATOM 551 CG LEU A 37 -1.154 5.006 6.893 1.00 0.00 C ATOM 552 CD1 LEU A 37 -0.083 5.225 7.963 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.676 6.362 6.410 1.00 0.00 C ATOM 0 H LEU A 37 -0.356 4.888 3.414 1.00 0.00 H new ATOM 0 HA LEU A 37 0.930 5.840 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.265 4.195 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.328 3.217 6.006 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.976 4.428 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.514 5.768 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.290 4.260 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.740 5.803 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.108 6.906 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.853 6.939 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.439 6.207 5.647 1.00 0.00 H new ATOM 565 N LEU A 38 2.087 3.109 4.509 1.00 0.00 N ATOM 566 CA LEU A 38 3.231 2.162 4.574 1.00 0.00 C ATOM 567 C LEU A 38 4.567 2.916 4.632 1.00 0.00 C ATOM 568 O LEU A 38 5.427 2.608 5.433 1.00 0.00 O ATOM 569 CB LEU A 38 3.128 1.366 3.270 1.00 0.00 C ATOM 570 CG LEU A 38 3.696 -0.041 3.464 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.069 0.047 4.132 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.749 -0.853 4.350 1.00 0.00 C ATOM 0 H LEU A 38 1.460 2.970 3.716 1.00 0.00 H new ATOM 0 HA LEU A 38 3.196 1.532 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.087 1.305 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.672 1.880 2.478 1.00 0.00 H new ATOM 0 HG LEU A 38 3.797 -0.528 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.472 -0.956 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.744 0.626 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.971 0.534 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.152 -1.856 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.649 -0.364 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.771 -0.918 3.873 1.00 0.00 H new ATOM 584 N PHE A 39 4.763 3.868 3.761 1.00 0.00 N ATOM 585 CA PHE A 39 6.066 4.603 3.737 1.00 0.00 C ATOM 586 C PHE A 39 6.074 5.827 4.652 1.00 0.00 C ATOM 587 O PHE A 39 7.094 6.162 5.220 1.00 0.00 O ATOM 588 CB PHE A 39 6.258 5.015 2.278 1.00 0.00 C ATOM 589 CG PHE A 39 5.943 3.836 1.388 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.028 2.534 1.898 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.545 4.043 0.065 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.715 1.443 1.090 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.227 2.949 -0.743 1.00 0.00 C ATOM 594 CZ PHE A 39 5.311 1.649 -0.228 1.00 0.00 C ATOM 0 H PHE A 39 4.081 4.170 3.065 1.00 0.00 H new ATOM 0 HA PHE A 39 6.873 3.971 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.607 5.855 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.283 5.348 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.337 2.375 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.483 5.046 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.785 0.440 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.916 3.105 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.062 0.805 -0.854 1.00 0.00 H new ATOM 604 N VAL A 40 4.976 6.513 4.807 1.00 0.00 N ATOM 605 CA VAL A 40 5.019 7.710 5.696 1.00 0.00 C ATOM 606 C VAL A 40 5.673 7.322 7.024 1.00 0.00 C ATOM 607 O VAL A 40 6.206 8.154 7.730 1.00 0.00 O ATOM 608 CB VAL A 40 3.574 8.161 5.901 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.988 8.634 4.569 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.748 7.003 6.447 1.00 0.00 C ATOM 0 H VAL A 40 4.076 6.307 4.372 1.00 0.00 H new ATOM 0 HA VAL A 40 5.603 8.522 5.263 1.00 0.00 H new ATOM 0 HB VAL A 40 3.551 8.985 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.957 8.955 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.577 9.469 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.012 7.815 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.718 7.328 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.771 6.174 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.164 6.677 7.401 1.00 0.00 H new ATOM 620 N ARG A 41 5.654 6.057 7.362 1.00 0.00 N ATOM 621 CA ARG A 41 6.297 5.620 8.636 1.00 0.00 C ATOM 622 C ARG A 41 7.793 5.391 8.402 1.00 0.00 C ATOM 623 O ARG A 41 8.627 6.126 8.892 1.00 0.00 O ATOM 624 CB ARG A 41 5.623 4.299 9.042 1.00 0.00 C ATOM 625 CG ARG A 41 4.163 4.269 8.587 1.00 0.00 C ATOM 626 CD ARG A 41 3.275 3.826 9.752 1.00 0.00 C ATOM 627 NE ARG A 41 3.668 2.415 10.017 1.00 0.00 N ATOM 628 CZ ARG A 41 3.153 1.449 9.306 1.00 0.00 C ATOM 629 NH1 ARG A 41 2.512 1.723 8.202 1.00 0.00 N ATOM 630 NH2 ARG A 41 3.278 0.210 9.698 1.00 0.00 N ATOM 0 H ARG A 41 5.223 5.313 6.813 1.00 0.00 H new ATOM 0 HA ARG A 41 6.184 6.373 9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.163 3.460 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.673 4.178 10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.859 5.256 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.047 3.585 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.434 4.452 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.219 3.900 9.494 1.00 0.00 H new ATOM 0 HE ARG A 41 4.340 2.203 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.414 2.691 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.109 0.969 7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.778 -0.004 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.875 -0.544 9.142 1.00 0.00 H new ATOM 644 N GLY A 42 8.140 4.368 7.663 1.00 0.00 N ATOM 645 CA GLY A 42 9.585 4.094 7.413 1.00 0.00 C ATOM 646 C GLY A 42 9.836 3.659 5.957 1.00 0.00 C ATOM 647 O GLY A 42 10.970 3.551 5.538 1.00 0.00 O ATOM 0 H GLY A 42 7.490 3.716 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.169 4.988 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.931 3.314 8.091 1.00 0.00 H new ATOM 651 N ALA A 43 8.813 3.404 5.177 1.00 0.00 N ATOM 652 CA ALA A 43 9.063 2.977 3.762 1.00 0.00 C ATOM 653 C ALA A 43 9.863 1.671 3.738 1.00 0.00 C ATOM 654 O ALA A 43 10.771 1.472 4.520 1.00 0.00 O ATOM 655 CB ALA A 43 9.881 4.113 3.149 1.00 0.00 C ATOM 0 H ALA A 43 7.833 3.471 5.451 1.00 0.00 H new ATOM 0 HA ALA A 43 8.138 2.795 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.107 3.878 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.309 5.040 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.811 4.233 3.705 1.00 0.00 H new ATOM 661 N GLY A 44 9.534 0.778 2.844 1.00 0.00 N ATOM 662 CA GLY A 44 10.278 -0.513 2.771 1.00 0.00 C ATOM 663 C GLY A 44 9.629 -1.537 3.704 1.00 0.00 C ATOM 664 O GLY A 44 10.292 -2.170 4.501 1.00 0.00 O ATOM 0 H GLY A 44 8.783 0.886 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.276 -0.887 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.320 -0.360 3.052 1.00 0.00 H new ATOM 668 N ASN A 45 8.339 -1.709 3.611 1.00 0.00 N ATOM 669 CA ASN A 45 7.658 -2.698 4.496 1.00 0.00 C ATOM 670 C ASN A 45 6.421 -3.272 3.801 1.00 0.00 C ATOM 671 O ASN A 45 5.303 -2.889 4.085 1.00 0.00 O ATOM 672 CB ASN A 45 7.258 -1.909 5.743 1.00 0.00 C ATOM 673 CG ASN A 45 8.461 -1.110 6.250 1.00 0.00 C ATOM 674 OD1 ASN A 45 8.523 0.092 6.077 1.00 0.00 O ATOM 675 ND2 ASN A 45 9.425 -1.731 6.873 1.00 0.00 N ATOM 0 H ASN A 45 7.729 -1.210 2.964 1.00 0.00 H new ATOM 0 HA ASN A 45 8.302 -3.543 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.433 -1.236 5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.906 -2.589 6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.231 -1.208 7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.372 -2.739 7.018 1.00 0.00 H new ATOM 682 N CYS A 46 6.620 -4.191 2.893 1.00 0.00 N ATOM 683 CA CYS A 46 5.469 -4.812 2.168 1.00 0.00 C ATOM 684 C CYS A 46 4.272 -4.996 3.110 1.00 0.00 C ATOM 685 O CYS A 46 4.440 -5.163 4.302 1.00 0.00 O ATOM 686 CB CYS A 46 6.000 -6.168 1.715 1.00 0.00 C ATOM 687 SG CYS A 46 5.386 -6.563 0.057 1.00 0.00 S ATOM 0 H CYS A 46 7.538 -4.542 2.619 1.00 0.00 H new ATOM 0 HA CYS A 46 5.120 -4.198 1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.090 -6.157 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.690 -6.941 2.418 1.00 0.00 H new ATOM 692 N PRO A 47 3.099 -4.946 2.538 1.00 0.00 N ATOM 693 CA PRO A 47 1.853 -5.093 3.331 1.00 0.00 C ATOM 694 C PRO A 47 1.577 -6.568 3.659 1.00 0.00 C ATOM 695 O PRO A 47 0.693 -6.887 4.429 1.00 0.00 O ATOM 696 CB PRO A 47 0.786 -4.531 2.399 1.00 0.00 C ATOM 697 CG PRO A 47 1.328 -4.721 1.015 1.00 0.00 C ATOM 698 CD PRO A 47 2.828 -4.740 1.111 1.00 0.00 C ATOM 0 HA PRO A 47 1.895 -4.584 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.162 -5.055 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.598 -3.478 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.960 -5.653 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.997 -3.915 0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.255 -5.540 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.261 -3.805 0.755 1.00 0.00 H new ATOM 706 N GLU A 48 2.318 -7.468 3.073 1.00 0.00 N ATOM 707 CA GLU A 48 2.082 -8.929 3.350 1.00 0.00 C ATOM 708 C GLU A 48 3.383 -9.681 3.704 1.00 0.00 C ATOM 709 O GLU A 48 3.341 -10.740 4.298 1.00 0.00 O ATOM 710 CB GLU A 48 1.460 -9.497 2.058 1.00 0.00 C ATOM 711 CG GLU A 48 2.558 -9.888 1.057 1.00 0.00 C ATOM 712 CD GLU A 48 3.476 -8.706 0.843 1.00 0.00 C ATOM 713 OE1 GLU A 48 2.970 -7.649 0.506 1.00 0.00 O ATOM 714 OE2 GLU A 48 4.665 -8.876 1.030 1.00 0.00 O ATOM 0 H GLU A 48 3.073 -7.265 2.418 1.00 0.00 H new ATOM 0 HA GLU A 48 1.431 -9.055 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.849 -10.368 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.799 -8.756 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.124 -10.740 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.112 -10.194 0.111 1.00 0.00 H new ATOM 721 N CYS A 49 4.529 -9.171 3.336 1.00 0.00 N ATOM 722 CA CYS A 49 5.799 -9.897 3.648 1.00 0.00 C ATOM 723 C CYS A 49 6.867 -8.935 4.190 1.00 0.00 C ATOM 724 O CYS A 49 8.010 -9.307 4.363 1.00 0.00 O ATOM 725 CB CYS A 49 6.235 -10.529 2.307 1.00 0.00 C ATOM 726 SG CYS A 49 7.363 -9.431 1.386 1.00 0.00 S ATOM 0 H CYS A 49 4.642 -8.289 2.836 1.00 0.00 H new ATOM 0 HA CYS A 49 5.661 -10.650 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.728 -11.483 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.355 -10.740 1.700 1.00 0.00 H new ATOM 731 N GLY A 50 6.512 -7.708 4.453 1.00 0.00 N ATOM 732 CA GLY A 50 7.521 -6.744 4.971 1.00 0.00 C ATOM 733 C GLY A 50 8.656 -6.597 3.954 1.00 0.00 C ATOM 734 O GLY A 50 8.690 -5.660 3.184 1.00 0.00 O ATOM 0 H GLY A 50 5.571 -7.333 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.054 -5.776 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.916 -7.092 5.925 1.00 0.00 H new ATOM 738 N THR A 51 9.583 -7.519 3.951 1.00 0.00 N ATOM 739 CA THR A 51 10.726 -7.442 2.992 1.00 0.00 C ATOM 740 C THR A 51 11.465 -6.109 3.175 1.00 0.00 C ATOM 741 O THR A 51 10.901 -5.051 2.982 1.00 0.00 O ATOM 742 CB THR A 51 10.087 -7.560 1.597 1.00 0.00 C ATOM 743 OG1 THR A 51 10.035 -8.932 1.232 1.00 0.00 O ATOM 744 CG2 THR A 51 10.913 -6.802 0.554 1.00 0.00 C ATOM 0 H THR A 51 9.598 -8.326 4.574 1.00 0.00 H new ATOM 0 HA THR A 51 11.467 -8.227 3.146 1.00 0.00 H new ATOM 0 HB THR A 51 9.086 -7.130 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.173 -9.125 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.442 -6.900 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.966 -5.748 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.920 -7.218 0.515 1.00 0.00 H new ATOM 752 N PRO A 52 12.711 -6.209 3.557 1.00 0.00 N ATOM 753 CA PRO A 52 13.534 -4.996 3.787 1.00 0.00 C ATOM 754 C PRO A 52 13.807 -4.269 2.470 1.00 0.00 C ATOM 755 O PRO A 52 14.749 -4.568 1.764 1.00 0.00 O ATOM 756 CB PRO A 52 14.821 -5.546 4.395 1.00 0.00 C ATOM 757 CG PRO A 52 14.891 -6.962 3.925 1.00 0.00 C ATOM 758 CD PRO A 52 13.469 -7.441 3.800 1.00 0.00 C ATOM 0 HA PRO A 52 13.047 -4.264 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.689 -4.976 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.799 -5.491 5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.408 -7.028 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.447 -7.578 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.355 -8.150 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.135 -7.945 4.706 1.00 0.00 H new ATOM 766 N LEU A 53 12.988 -3.309 2.141 1.00 0.00 N ATOM 767 CA LEU A 53 13.192 -2.550 0.878 1.00 0.00 C ATOM 768 C LEU A 53 13.730 -1.152 1.198 1.00 0.00 C ATOM 769 O LEU A 53 13.133 -0.405 1.948 1.00 0.00 O ATOM 770 CB LEU A 53 11.804 -2.469 0.240 1.00 0.00 C ATOM 771 CG LEU A 53 11.570 -3.707 -0.630 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.068 -3.922 -0.816 1.00 0.00 C ATOM 773 CD2 LEU A 53 12.229 -3.500 -1.996 1.00 0.00 C ATOM 0 H LEU A 53 12.183 -3.017 2.696 1.00 0.00 H new ATOM 0 HA LEU A 53 13.913 -3.024 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.039 -2.405 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.722 -1.566 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 53 12.004 -4.581 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.901 -4.803 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.598 -4.067 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.633 -3.049 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.064 -4.380 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.794 -2.627 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.300 -3.345 -1.864 1.00 0.00 H new ATOM 785 N ARG A 54 14.856 -0.797 0.645 1.00 0.00 N ATOM 786 CA ARG A 54 15.438 0.547 0.931 1.00 0.00 C ATOM 787 C ARG A 54 14.851 1.604 -0.011 1.00 0.00 C ATOM 788 O ARG A 54 15.524 2.536 -0.404 1.00 0.00 O ATOM 789 CB ARG A 54 16.939 0.385 0.685 1.00 0.00 C ATOM 790 CG ARG A 54 17.659 0.200 2.023 1.00 0.00 C ATOM 791 CD ARG A 54 18.164 1.556 2.521 1.00 0.00 C ATOM 792 NE ARG A 54 19.523 1.699 1.929 1.00 0.00 N ATOM 793 CZ ARG A 54 20.570 1.290 2.591 1.00 0.00 C ATOM 794 NH1 ARG A 54 21.177 2.098 3.416 1.00 0.00 N ATOM 795 NH2 ARG A 54 21.010 0.073 2.428 1.00 0.00 N ATOM 0 H ARG A 54 15.400 -1.378 0.007 1.00 0.00 H new ATOM 0 HA ARG A 54 15.219 0.880 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 54 17.122 -0.474 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 54 17.330 1.261 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.982 -0.239 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.494 -0.491 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.507 2.364 2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.202 1.588 3.610 1.00 0.00 H new ATOM 0 HE ARG A 54 19.635 2.117 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.833 3.050 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.996 1.778 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.535 -0.559 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.829 -0.247 2.946 1.00 0.00 H new ATOM 809 N LYS A 55 13.604 1.472 -0.370 1.00 0.00 N ATOM 810 CA LYS A 55 12.982 2.476 -1.280 1.00 0.00 C ATOM 811 C LYS A 55 11.522 2.114 -1.553 1.00 0.00 C ATOM 812 O LYS A 55 11.188 0.966 -1.770 1.00 0.00 O ATOM 813 CB LYS A 55 13.795 2.406 -2.573 1.00 0.00 C ATOM 814 CG LYS A 55 13.753 3.763 -3.277 1.00 0.00 C ATOM 815 CD LYS A 55 12.425 3.920 -4.024 1.00 0.00 C ATOM 816 CE LYS A 55 12.207 2.719 -4.950 1.00 0.00 C ATOM 817 NZ LYS A 55 13.523 2.493 -5.608 1.00 0.00 N ATOM 0 H LYS A 55 12.989 0.714 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 55 12.988 3.476 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.826 2.131 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.392 1.633 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.867 4.565 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.586 3.846 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.603 3.996 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.430 4.843 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.891 1.840 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.429 2.924 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.377 2.027 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.999 3.406 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.114 1.888 -5.003 1.00 0.00 H new ATOM 831 N SER A 56 10.650 3.084 -1.554 1.00 0.00 N ATOM 832 CA SER A 56 9.215 2.791 -1.826 1.00 0.00 C ATOM 833 C SER A 56 9.075 2.165 -3.220 1.00 0.00 C ATOM 834 O SER A 56 8.741 2.834 -4.179 1.00 0.00 O ATOM 835 CB SER A 56 8.518 4.149 -1.776 1.00 0.00 C ATOM 836 OG SER A 56 9.471 5.175 -2.018 1.00 0.00 O ATOM 0 H SER A 56 10.868 4.065 -1.379 1.00 0.00 H new ATOM 0 HA SER A 56 8.785 2.091 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.724 4.191 -2.522 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.049 4.294 -0.803 1.00 0.00 H new ATOM 0 HG SER A 56 9.027 6.048 -1.988 1.00 0.00 H new ATOM 842 N ASN A 57 9.343 0.892 -3.346 1.00 0.00 N ATOM 843 CA ASN A 57 9.243 0.231 -4.684 1.00 0.00 C ATOM 844 C ASN A 57 7.877 -0.445 -4.869 1.00 0.00 C ATOM 845 O ASN A 57 7.747 -1.646 -4.737 1.00 0.00 O ATOM 846 CB ASN A 57 10.358 -0.816 -4.684 1.00 0.00 C ATOM 847 CG ASN A 57 10.139 -1.792 -3.527 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.503 -1.509 -2.401 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.558 -2.936 -3.757 1.00 0.00 N ATOM 0 H ASN A 57 9.627 0.280 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 57 9.342 0.949 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.366 -1.354 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.328 -0.330 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.408 -3.595 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.253 -3.172 -4.701 1.00 0.00 H new ATOM 856 N PHE A 58 6.859 0.313 -5.183 1.00 0.00 N ATOM 857 CA PHE A 58 5.511 -0.296 -5.387 1.00 0.00 C ATOM 858 C PHE A 58 4.937 0.176 -6.725 1.00 0.00 C ATOM 859 O PHE A 58 4.635 1.338 -6.910 1.00 0.00 O ATOM 860 CB PHE A 58 4.652 0.179 -4.195 1.00 0.00 C ATOM 861 CG PHE A 58 5.343 -0.206 -2.906 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.568 0.370 -2.551 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.760 -1.169 -2.071 1.00 0.00 C ATOM 864 CE1 PHE A 58 7.211 -0.017 -1.368 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.399 -1.551 -0.886 1.00 0.00 C ATOM 866 CZ PHE A 58 6.624 -0.976 -0.535 1.00 0.00 C ATOM 0 H PHE A 58 6.902 1.325 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 58 5.541 -1.385 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.512 1.259 -4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.661 -0.273 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.019 1.115 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.816 -1.617 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.159 0.425 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.946 -2.290 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.117 -1.272 0.379 1.00 0.00 H new ATOM 876 N ARG A 59 4.792 -0.724 -7.663 1.00 0.00 N ATOM 877 CA ARG A 59 4.245 -0.333 -8.997 1.00 0.00 C ATOM 878 C ARG A 59 2.724 -0.428 -8.961 1.00 0.00 C ATOM 879 O ARG A 59 2.155 -1.489 -8.803 1.00 0.00 O ATOM 880 CB ARG A 59 4.844 -1.316 -10.010 1.00 0.00 C ATOM 881 CG ARG A 59 4.747 -2.758 -9.495 1.00 0.00 C ATOM 882 CD ARG A 59 5.082 -3.722 -10.636 1.00 0.00 C ATOM 883 NE ARG A 59 3.882 -4.590 -10.783 1.00 0.00 N ATOM 884 CZ ARG A 59 3.839 -5.483 -11.733 1.00 0.00 C ATOM 885 NH1 ARG A 59 4.945 -6.010 -12.182 1.00 0.00 N ATOM 886 NH2 ARG A 59 2.690 -5.848 -12.236 1.00 0.00 N ATOM 0 H ARG A 59 5.028 -1.711 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 59 4.501 0.691 -9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.319 -1.229 -10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.887 -1.062 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.435 -2.907 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.744 -2.956 -9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.291 -3.181 -11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.968 -4.313 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 59 3.095 -4.487 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.842 -5.724 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.912 -6.708 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.826 -5.435 -11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.657 -6.546 -12.979 1.00 0.00 H new ATOM 900 N VAL A 60 2.073 0.696 -9.051 1.00 0.00 N ATOM 901 CA VAL A 60 0.586 0.725 -8.956 1.00 0.00 C ATOM 902 C VAL A 60 -0.090 0.540 -10.316 1.00 0.00 C ATOM 903 O VAL A 60 0.381 1.000 -11.337 1.00 0.00 O ATOM 904 CB VAL A 60 0.286 2.098 -8.365 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.778 3.187 -9.319 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.222 2.247 -8.151 1.00 0.00 C ATOM 0 H VAL A 60 2.511 1.607 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 60 0.200 -0.093 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 60 0.798 2.198 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.562 4.167 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.853 3.084 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.270 3.087 -10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.434 3.229 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.737 2.144 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.570 1.474 -7.466 1.00 0.00 H new ATOM 916 N GLN A 61 -1.202 -0.149 -10.313 1.00 0.00 N ATOM 917 CA GLN A 61 -1.952 -0.407 -11.574 1.00 0.00 C ATOM 918 C GLN A 61 -3.216 -1.220 -11.261 1.00 0.00 C ATOM 919 O GLN A 61 -3.446 -1.614 -10.131 1.00 0.00 O ATOM 920 CB GLN A 61 -0.993 -1.214 -12.450 1.00 0.00 C ATOM 921 CG GLN A 61 -0.870 -2.636 -11.900 1.00 0.00 C ATOM 922 CD GLN A 61 0.597 -3.069 -11.929 1.00 0.00 C ATOM 923 OE1 GLN A 61 1.029 -3.735 -12.849 1.00 0.00 O ATOM 924 NE2 GLN A 61 1.387 -2.717 -10.951 1.00 0.00 N ATOM 0 H GLN A 61 -1.627 -0.549 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.271 0.510 -12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.357 -1.241 -13.477 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.014 -0.735 -12.472 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.252 -2.677 -10.880 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.474 -3.321 -12.495 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.025 -2.158 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.367 -3.001 -10.959 1.00 0.00 H new ATOM 933 N LEU A 62 -4.036 -1.474 -12.248 1.00 0.00 N ATOM 934 CA LEU A 62 -5.283 -2.263 -12.005 1.00 0.00 C ATOM 935 C LEU A 62 -6.117 -2.345 -13.288 1.00 0.00 C ATOM 936 O LEU A 62 -6.205 -3.380 -13.916 1.00 0.00 O ATOM 937 CB LEU A 62 -6.039 -1.496 -10.920 1.00 0.00 C ATOM 938 CG LEU A 62 -6.619 -2.476 -9.896 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.485 -3.225 -9.190 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.431 -1.699 -8.858 1.00 0.00 C ATOM 0 H LEU A 62 -3.897 -1.170 -13.212 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.068 -3.287 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.368 -0.794 -10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.840 -0.909 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.260 -3.193 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.905 -3.920 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.901 -3.778 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.840 -2.510 -8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.846 -2.393 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.784 -0.983 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.243 -1.167 -9.355 1.00 0.00 H new ATOM 952 N PHE A 63 -6.731 -1.261 -13.680 1.00 0.00 N ATOM 953 CA PHE A 63 -7.558 -1.284 -14.921 1.00 0.00 C ATOM 954 C PHE A 63 -6.657 -1.401 -16.153 1.00 0.00 C ATOM 955 O PHE A 63 -6.103 -0.428 -16.623 1.00 0.00 O ATOM 956 CB PHE A 63 -8.305 0.051 -14.927 1.00 0.00 C ATOM 957 CG PHE A 63 -9.568 -0.081 -15.744 1.00 0.00 C ATOM 958 CD1 PHE A 63 -9.521 0.074 -17.135 1.00 0.00 C ATOM 959 CD2 PHE A 63 -10.785 -0.359 -15.112 1.00 0.00 C ATOM 960 CE1 PHE A 63 -10.692 -0.049 -17.893 1.00 0.00 C ATOM 961 CE2 PHE A 63 -11.957 -0.482 -15.869 1.00 0.00 C ATOM 962 CZ PHE A 63 -11.910 -0.327 -17.260 1.00 0.00 C ATOM 0 H PHE A 63 -6.696 -0.364 -13.197 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.242 -2.132 -14.945 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.549 0.348 -13.907 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.670 0.833 -15.343 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.582 0.288 -17.623 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.821 -0.479 -14.039 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.656 0.071 -18.966 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -12.896 -0.696 -15.380 1.00 0.00 H new ATOM 0 HZ PHE A 63 -12.813 -0.422 -17.845 1.00 0.00 H new ATOM 972 N GLU A 64 -6.506 -2.586 -16.679 1.00 0.00 N ATOM 973 CA GLU A 64 -5.641 -2.763 -17.879 1.00 0.00 C ATOM 974 C GLU A 64 -4.314 -2.023 -17.688 1.00 0.00 C ATOM 975 O GLU A 64 -3.948 -1.658 -16.588 1.00 0.00 O ATOM 976 CB GLU A 64 -6.435 -2.153 -19.033 1.00 0.00 C ATOM 977 CG GLU A 64 -7.518 -3.136 -19.485 1.00 0.00 C ATOM 978 CD GLU A 64 -6.924 -4.128 -20.484 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.037 -4.870 -20.096 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.365 -4.130 -21.622 1.00 0.00 O ATOM 0 H GLU A 64 -6.944 -3.438 -16.330 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.397 -3.809 -18.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.890 -1.214 -18.719 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.769 -1.922 -19.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.922 -3.669 -18.624 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.346 -2.595 -19.943 1.00 0.00 H new ATOM 987 N ASP A 65 -3.592 -1.796 -18.751 1.00 0.00 N ATOM 988 CA ASP A 65 -2.291 -1.079 -18.631 1.00 0.00 C ATOM 989 C ASP A 65 -1.953 -0.375 -19.948 1.00 0.00 C ATOM 990 O ASP A 65 -1.331 0.673 -19.895 1.00 0.00 O ATOM 991 CB ASP A 65 -1.264 -2.170 -18.327 1.00 0.00 C ATOM 992 CG ASP A 65 -1.484 -3.356 -19.268 1.00 0.00 C ATOM 993 OD1 ASP A 65 -1.131 -3.238 -20.430 1.00 0.00 O ATOM 994 OD2 ASP A 65 -2.001 -4.362 -18.811 1.00 0.00 O ATOM 995 OXT ASP A 65 -2.321 -0.896 -20.988 1.00 0.00 O ATOM 0 H ASP A 65 -3.847 -2.076 -19.698 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.311 -0.312 -17.857 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.254 -1.778 -18.449 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.357 -2.493 -17.290 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.464 0.510 1.781 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 6.267 -8.620 -0.470 1.00 0.00 ZN