USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 524 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 Set 1.1: A 31 TYR OH : rot 39:sc= -0.0471 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -0.0446 X(o=-0.092,f=-0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.097 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0.00169 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 157:sc= 1.21 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0106 F(o=-0.84,f=-0.011) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.513 USER MOD Single : A 67 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0833) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -179:sc= 0 (180deg=-0.00254) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.128 13.846 -12.703 1.00 0.00 N ATOM 2 CA MET A 1 -12.077 13.335 -13.627 1.00 0.00 C ATOM 3 C MET A 1 -10.876 12.782 -12.852 1.00 0.00 C ATOM 4 O MET A 1 -10.798 12.979 -11.643 1.00 0.00 O ATOM 5 CB MET A 1 -11.637 14.410 -14.644 1.00 0.00 C ATOM 6 CG MET A 1 -10.908 15.628 -14.044 1.00 0.00 C ATOM 7 SD MET A 1 -11.792 17.204 -14.227 1.00 0.00 S ATOM 8 CE MET A 1 -10.435 18.245 -14.831 1.00 0.00 C ATOM 0 H1 MET A 1 -13.992 13.277 -12.811 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.790 13.779 -11.722 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.337 14.839 -12.930 1.00 0.00 H new ATOM 0 HA MET A 1 -12.517 12.514 -14.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.983 13.943 -15.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.519 14.763 -15.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.734 15.445 -12.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.930 15.718 -14.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.801 19.258 -14.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.635 18.266 -14.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.053 17.837 -15.767 1.00 0.00 H new ATOM 16 N CYS A 2 -9.923 12.121 -13.522 1.00 0.00 N ATOM 17 CA CYS A 2 -8.601 11.797 -12.956 1.00 0.00 C ATOM 18 C CYS A 2 -7.836 13.056 -12.474 1.00 0.00 C ATOM 19 O CYS A 2 -8.203 14.185 -12.818 1.00 0.00 O ATOM 20 CB CYS A 2 -7.801 11.001 -14.003 1.00 0.00 C ATOM 21 SG CYS A 2 -7.471 12.020 -15.471 1.00 0.00 S ATOM 0 H CYS A 2 -10.046 11.792 -14.480 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.739 11.187 -12.063 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.860 10.664 -13.569 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -8.357 10.109 -14.291 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.794 11.327 -16.337 1.00 0.00 H new ATOM 26 N ARG A 3 -6.758 12.863 -11.692 1.00 0.00 N ATOM 27 CA ARG A 3 -5.973 13.896 -10.964 1.00 0.00 C ATOM 28 C ARG A 3 -6.803 14.723 -9.968 1.00 0.00 C ATOM 29 O ARG A 3 -6.671 14.538 -8.757 1.00 0.00 O ATOM 30 CB ARG A 3 -5.189 14.786 -11.963 1.00 0.00 C ATOM 31 CG ARG A 3 -3.827 14.190 -12.349 1.00 0.00 C ATOM 32 CD ARG A 3 -2.746 14.540 -11.317 1.00 0.00 C ATOM 33 NE ARG A 3 -2.230 15.911 -11.512 1.00 0.00 N ATOM 34 CZ ARG A 3 -1.366 16.550 -10.740 1.00 0.00 C ATOM 35 NH1 ARG A 3 -0.937 16.050 -9.615 1.00 0.00 N ATOM 36 NH2 ARG A 3 -0.904 17.715 -11.094 1.00 0.00 N ATOM 0 H ARG A 3 -6.383 11.927 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.254 13.362 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.787 14.927 -12.863 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.038 15.772 -11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.914 13.107 -12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.530 14.563 -13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.157 14.445 -10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.925 13.827 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.576 16.418 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.268 15.137 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.271 16.572 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.208 18.139 -11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.238 18.203 -10.495 1.00 0.00 H new ATOM 47 N LYS A 4 -7.688 15.585 -10.468 1.00 0.00 N ATOM 48 CA LYS A 4 -8.644 16.416 -9.713 1.00 0.00 C ATOM 49 C LYS A 4 -9.990 15.695 -9.574 1.00 0.00 C ATOM 50 O LYS A 4 -11.017 16.128 -10.104 1.00 0.00 O ATOM 51 CB LYS A 4 -8.732 17.816 -10.354 1.00 0.00 C ATOM 52 CG LYS A 4 -7.520 18.686 -9.949 1.00 0.00 C ATOM 53 CD LYS A 4 -7.904 19.978 -9.196 1.00 0.00 C ATOM 54 CE LYS A 4 -7.000 20.244 -7.979 1.00 0.00 C ATOM 55 NZ LYS A 4 -7.662 19.872 -6.698 1.00 0.00 N ATOM 0 H LYS A 4 -7.767 15.736 -11.474 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.294 16.570 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.770 17.722 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.655 18.305 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.854 18.095 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.960 18.952 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.844 20.824 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.940 19.907 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.074 19.679 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.729 21.299 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.018 20.067 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.533 20.429 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.898 18.859 -6.711 1.00 0.00 H new ATOM 65 N LYS A 5 -9.969 14.558 -8.870 1.00 0.00 N ATOM 66 CA LYS A 5 -11.179 13.809 -8.487 1.00 0.00 C ATOM 67 C LYS A 5 -12.123 14.664 -7.616 1.00 0.00 C ATOM 68 O LYS A 5 -11.637 15.463 -6.809 1.00 0.00 O ATOM 69 CB LYS A 5 -10.785 12.484 -7.797 1.00 0.00 C ATOM 70 CG LYS A 5 -10.797 11.333 -8.812 1.00 0.00 C ATOM 71 CD LYS A 5 -10.331 9.992 -8.227 1.00 0.00 C ATOM 72 CE LYS A 5 -11.014 8.846 -8.989 1.00 0.00 C ATOM 73 NZ LYS A 5 -10.454 7.517 -8.631 1.00 0.00 N ATOM 0 H LYS A 5 -9.105 14.125 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.737 13.563 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.794 12.577 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.478 12.269 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.807 11.217 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.156 11.595 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.248 9.903 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.578 9.938 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.083 8.857 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.902 9.008 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.946 6.776 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.440 7.495 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.584 7.348 -7.613 1.00 0.00 H new ATOM 83 N PRO A 6 -13.457 14.486 -7.730 1.00 0.00 N ATOM 84 CA PRO A 6 -14.437 15.190 -6.896 1.00 0.00 C ATOM 85 C PRO A 6 -14.442 14.685 -5.446 1.00 0.00 C ATOM 86 O PRO A 6 -14.972 15.353 -4.556 1.00 0.00 O ATOM 87 CB PRO A 6 -15.790 14.954 -7.569 1.00 0.00 C ATOM 88 CG PRO A 6 -15.625 13.611 -8.277 1.00 0.00 C ATOM 89 CD PRO A 6 -14.133 13.536 -8.605 1.00 0.00 C ATOM 0 HA PRO A 6 -14.195 16.250 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.598 14.923 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.028 15.750 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.934 12.784 -7.638 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.234 13.560 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.753 12.527 -8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.955 13.782 -9.652 1.00 0.00 H new ATOM 94 N ASP A 7 -13.821 13.529 -5.204 1.00 0.00 N ATOM 95 CA ASP A 7 -13.639 12.932 -3.890 1.00 0.00 C ATOM 96 C ASP A 7 -12.150 12.639 -3.642 1.00 0.00 C ATOM 97 O ASP A 7 -11.489 11.986 -4.451 1.00 0.00 O ATOM 98 CB ASP A 7 -14.509 11.670 -3.777 1.00 0.00 C ATOM 99 CG ASP A 7 -15.008 11.474 -2.343 1.00 0.00 C ATOM 100 OD1 ASP A 7 -14.303 11.908 -1.399 1.00 0.00 O ATOM 101 OD2 ASP A 7 -16.108 10.893 -2.178 1.00 0.00 O ATOM 0 H ASP A 7 -13.417 12.965 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.960 13.629 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.359 11.748 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.933 10.798 -4.088 1.00 0.00 H new ATOM 105 N THR A 8 -11.619 13.149 -2.530 1.00 0.00 N ATOM 106 CA THR A 8 -10.196 13.063 -2.142 1.00 0.00 C ATOM 107 C THR A 8 -10.047 12.593 -0.689 1.00 0.00 C ATOM 108 O THR A 8 -9.282 11.667 -0.407 1.00 0.00 O ATOM 109 CB THR A 8 -9.454 14.387 -2.423 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.143 14.336 -1.903 1.00 0.00 O ATOM 111 CG2 THR A 8 -10.132 15.646 -1.869 1.00 0.00 C ATOM 0 H THR A 8 -12.182 13.653 -1.845 1.00 0.00 H new ATOM 0 HA THR A 8 -9.718 12.307 -2.765 1.00 0.00 H new ATOM 0 HB THR A 8 -9.461 14.474 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.684 15.181 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.533 16.522 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.125 15.748 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.221 15.565 -0.786 1.00 0.00 H new ATOM 119 N MET A 9 -10.885 13.120 0.213 1.00 0.00 N ATOM 120 CA MET A 9 -11.016 12.672 1.603 1.00 0.00 C ATOM 121 C MET A 9 -11.354 11.173 1.684 1.00 0.00 C ATOM 122 O MET A 9 -10.678 10.421 2.392 1.00 0.00 O ATOM 123 CB MET A 9 -12.113 13.519 2.270 1.00 0.00 C ATOM 124 CG MET A 9 -12.280 13.256 3.772 1.00 0.00 C ATOM 125 SD MET A 9 -11.574 14.539 4.844 1.00 0.00 S ATOM 126 CE MET A 9 -12.962 14.750 5.996 1.00 0.00 C ATOM 0 H MET A 9 -11.510 13.894 -0.013 1.00 0.00 H new ATOM 0 HA MET A 9 -10.067 12.805 2.122 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.884 14.574 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.062 13.324 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.342 13.158 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.814 12.301 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.708 15.509 6.736 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.848 15.063 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.164 13.805 6.500 1.00 0.00 H new ATOM 134 N ILE A 10 -12.363 10.723 0.925 1.00 0.00 N ATOM 135 CA ILE A 10 -12.743 9.304 0.873 1.00 0.00 C ATOM 136 C ILE A 10 -11.813 8.525 -0.053 1.00 0.00 C ATOM 137 O ILE A 10 -11.509 7.392 0.291 1.00 0.00 O ATOM 138 CB ILE A 10 -14.233 9.126 0.508 1.00 0.00 C ATOM 139 CG1 ILE A 10 -15.121 9.676 1.652 1.00 0.00 C ATOM 140 CG2 ILE A 10 -14.620 7.662 0.221 1.00 0.00 C ATOM 141 CD1 ILE A 10 -16.399 10.347 1.143 1.00 0.00 C ATOM 0 H ILE A 10 -12.935 11.327 0.334 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.623 8.884 1.872 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.397 9.686 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.388 8.859 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.547 10.395 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.680 7.608 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.030 7.287 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.424 7.054 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.980 10.712 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.137 11.183 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.991 9.624 0.582 1.00 0.00 H new ATOM 152 N LEU A 11 -11.278 9.099 -1.144 1.00 0.00 N ATOM 153 CA LEU A 11 -10.280 8.421 -1.997 1.00 0.00 C ATOM 154 C LEU A 11 -9.098 7.877 -1.168 1.00 0.00 C ATOM 155 O LEU A 11 -8.707 6.726 -1.340 1.00 0.00 O ATOM 156 CB LEU A 11 -9.876 9.340 -3.167 1.00 0.00 C ATOM 157 CG LEU A 11 -8.877 8.836 -4.235 1.00 0.00 C ATOM 158 CD1 LEU A 11 -7.419 8.998 -3.804 1.00 0.00 C ATOM 159 CD2 LEU A 11 -9.116 7.398 -4.702 1.00 0.00 C ATOM 0 H LEU A 11 -11.521 10.038 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.726 7.534 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.791 9.624 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.458 10.250 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.071 9.485 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.763 8.628 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.208 10.052 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.244 8.430 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.370 7.130 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.037 6.721 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.112 7.318 -5.138 1.00 0.00 H new ATOM 170 N THR A 12 -8.605 8.633 -0.184 1.00 0.00 N ATOM 171 CA THR A 12 -7.621 8.152 0.806 1.00 0.00 C ATOM 172 C THR A 12 -8.116 6.966 1.659 1.00 0.00 C ATOM 173 O THR A 12 -7.342 6.042 1.920 1.00 0.00 O ATOM 174 CB THR A 12 -7.151 9.343 1.668 1.00 0.00 C ATOM 175 OG1 THR A 12 -6.066 9.962 1.005 1.00 0.00 O ATOM 176 CG2 THR A 12 -6.697 9.013 3.092 1.00 0.00 C ATOM 0 H THR A 12 -8.876 9.606 -0.045 1.00 0.00 H new ATOM 0 HA THR A 12 -6.772 7.744 0.258 1.00 0.00 H new ATOM 0 HB THR A 12 -8.029 9.979 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.751 10.724 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.391 9.929 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.520 8.554 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.856 8.321 3.054 1.00 0.00 H new ATOM 184 N GLN A 13 -9.391 6.931 2.072 1.00 0.00 N ATOM 185 CA GLN A 13 -9.978 5.783 2.782 1.00 0.00 C ATOM 186 C GLN A 13 -10.232 4.565 1.882 1.00 0.00 C ATOM 187 O GLN A 13 -9.916 3.453 2.308 1.00 0.00 O ATOM 188 CB GLN A 13 -11.295 6.151 3.486 1.00 0.00 C ATOM 189 CG GLN A 13 -11.094 6.723 4.897 1.00 0.00 C ATOM 190 CD GLN A 13 -12.219 6.270 5.830 1.00 0.00 C ATOM 191 OE1 GLN A 13 -13.330 6.785 5.812 1.00 0.00 O ATOM 192 NE2 GLN A 13 -11.992 5.264 6.653 1.00 0.00 N ATOM 0 H GLN A 13 -10.046 7.699 1.923 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.225 5.510 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.831 6.881 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.925 5.264 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.133 6.397 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.068 7.812 4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.072 4.825 6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.737 4.926 7.263 1.00 0.00 H new ATOM 199 N ILE A 14 -10.755 4.721 0.656 1.00 0.00 N ATOM 200 CA ILE A 14 -10.802 3.589 -0.286 1.00 0.00 C ATOM 201 C ILE A 14 -9.382 3.092 -0.548 1.00 0.00 C ATOM 202 O ILE A 14 -9.190 1.896 -0.435 1.00 0.00 O ATOM 203 CB ILE A 14 -11.669 3.762 -1.570 1.00 0.00 C ATOM 204 CG1 ILE A 14 -11.210 2.826 -2.717 1.00 0.00 C ATOM 205 CG2 ILE A 14 -11.719 5.197 -2.075 1.00 0.00 C ATOM 206 CD1 ILE A 14 -12.086 2.831 -3.979 1.00 0.00 C ATOM 0 H ILE A 14 -11.142 5.595 0.299 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.374 2.808 0.216 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.677 3.482 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.195 3.103 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.166 1.807 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.339 5.246 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.144 5.840 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.710 5.534 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.670 2.141 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -13.098 2.520 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.112 3.836 -4.400 1.00 0.00 H new ATOM 217 N GLU A 15 -8.366 3.939 -0.752 1.00 0.00 N ATOM 218 CA GLU A 15 -6.961 3.499 -0.874 1.00 0.00 C ATOM 219 C GLU A 15 -6.426 2.690 0.331 1.00 0.00 C ATOM 220 O GLU A 15 -5.444 1.967 0.177 1.00 0.00 O ATOM 221 CB GLU A 15 -6.037 4.686 -1.188 1.00 0.00 C ATOM 222 CG GLU A 15 -6.173 5.178 -2.641 1.00 0.00 C ATOM 223 CD GLU A 15 -4.831 5.146 -3.400 1.00 0.00 C ATOM 224 OE1 GLU A 15 -4.057 6.130 -3.307 1.00 0.00 O ATOM 225 OE2 GLU A 15 -4.560 4.154 -4.120 1.00 0.00 O ATOM 0 H GLU A 15 -8.489 4.948 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.956 2.802 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.264 5.507 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.003 4.395 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.899 4.557 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.564 6.195 -2.642 1.00 0.00 H new ATOM 230 N ALA A 16 -7.078 2.739 1.499 1.00 0.00 N ATOM 231 CA ALA A 16 -6.820 1.835 2.621 1.00 0.00 C ATOM 232 C ALA A 16 -7.695 0.566 2.585 1.00 0.00 C ATOM 233 O ALA A 16 -7.174 -0.532 2.790 1.00 0.00 O ATOM 234 CB ALA A 16 -7.038 2.603 3.925 1.00 0.00 C ATOM 0 H ALA A 16 -7.812 3.421 1.692 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.789 1.490 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.850 1.943 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.354 3.451 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.066 2.963 3.968 1.00 0.00 H new ATOM 240 N LYS A 17 -9.003 0.672 2.295 1.00 0.00 N ATOM 241 CA LYS A 17 -9.916 -0.489 2.195 1.00 0.00 C ATOM 242 C LYS A 17 -9.553 -1.398 1.024 1.00 0.00 C ATOM 243 O LYS A 17 -9.540 -2.615 1.167 1.00 0.00 O ATOM 244 CB LYS A 17 -11.400 -0.038 2.182 1.00 0.00 C ATOM 245 CG LYS A 17 -12.178 0.015 0.844 1.00 0.00 C ATOM 246 CD LYS A 17 -12.525 -1.366 0.247 1.00 0.00 C ATOM 247 CE LYS A 17 -13.804 -1.331 -0.594 1.00 0.00 C ATOM 248 NZ LYS A 17 -14.102 -2.672 -1.162 1.00 0.00 N ATOM 0 H LYS A 17 -9.462 1.566 2.122 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.787 -1.096 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.947 -0.703 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.440 0.959 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.102 0.572 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.587 0.572 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.696 -1.711 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.643 -2.089 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.640 -0.998 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.694 -0.606 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.973 -2.623 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.313 -2.976 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.229 -3.356 -0.389 1.00 0.00 H new ATOM 258 N GLU A 18 -9.246 -0.810 -0.129 1.00 0.00 N ATOM 259 CA GLU A 18 -8.834 -1.508 -1.344 1.00 0.00 C ATOM 260 C GLU A 18 -7.420 -2.043 -1.202 1.00 0.00 C ATOM 261 O GLU A 18 -7.168 -3.119 -1.714 1.00 0.00 O ATOM 262 CB GLU A 18 -8.982 -0.641 -2.610 1.00 0.00 C ATOM 263 CG GLU A 18 -7.998 0.536 -2.734 1.00 0.00 C ATOM 264 CD GLU A 18 -6.896 0.320 -3.779 1.00 0.00 C ATOM 265 OE1 GLU A 18 -7.191 0.349 -4.998 1.00 0.00 O ATOM 266 OE2 GLU A 18 -5.724 0.160 -3.373 1.00 0.00 O ATOM 0 H GLU A 18 -9.278 0.203 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.512 -2.352 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.863 -1.283 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.997 -0.246 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.556 1.437 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.535 0.713 -1.763 1.00 0.00 H new ATOM 271 N ALA A 19 -6.529 -1.397 -0.442 1.00 0.00 N ATOM 272 CA ALA A 19 -5.285 -2.037 -0.044 1.00 0.00 C ATOM 273 C ALA A 19 -5.550 -3.208 0.912 1.00 0.00 C ATOM 274 O ALA A 19 -4.917 -4.238 0.749 1.00 0.00 O ATOM 275 CB ALA A 19 -4.329 -1.019 0.563 1.00 0.00 C ATOM 0 H ALA A 19 -6.649 -0.445 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.809 -2.448 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.404 -1.517 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.108 -0.244 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.789 -0.566 1.441 1.00 0.00 H new ATOM 281 N CYS A 20 -6.501 -3.126 1.849 1.00 0.00 N ATOM 282 CA CYS A 20 -6.858 -4.282 2.675 1.00 0.00 C ATOM 283 C CYS A 20 -7.388 -5.453 1.839 1.00 0.00 C ATOM 284 O CYS A 20 -6.849 -6.555 1.922 1.00 0.00 O ATOM 285 CB CYS A 20 -7.812 -3.867 3.804 1.00 0.00 C ATOM 286 SG CYS A 20 -7.901 -5.211 5.022 1.00 0.00 S ATOM 0 H CYS A 20 -7.032 -2.279 2.052 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.948 -4.654 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.459 -2.951 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.803 -3.656 3.402 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.705 -4.871 5.985 1.00 0.00 H new ATOM 291 N ASP A 21 -8.378 -5.209 0.977 1.00 0.00 N ATOM 292 CA ASP A 21 -8.947 -6.223 0.088 1.00 0.00 C ATOM 293 C ASP A 21 -7.915 -6.761 -0.924 1.00 0.00 C ATOM 294 O ASP A 21 -7.785 -7.974 -1.075 1.00 0.00 O ATOM 295 CB ASP A 21 -10.178 -5.634 -0.617 1.00 0.00 C ATOM 296 CG ASP A 21 -11.100 -6.737 -1.163 1.00 0.00 C ATOM 297 OD1 ASP A 21 -10.837 -7.262 -2.272 1.00 0.00 O ATOM 298 OD2 ASP A 21 -12.108 -7.064 -0.494 1.00 0.00 O ATOM 0 H ASP A 21 -8.811 -4.291 0.876 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.250 -7.082 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.733 -5.008 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.856 -4.990 -1.435 1.00 0.00 H new ATOM 302 N TRP A 22 -7.131 -5.878 -1.557 1.00 0.00 N ATOM 303 CA TRP A 22 -6.065 -6.230 -2.503 1.00 0.00 C ATOM 304 C TRP A 22 -4.949 -7.009 -1.813 1.00 0.00 C ATOM 305 O TRP A 22 -4.692 -8.132 -2.216 1.00 0.00 O ATOM 306 CB TRP A 22 -5.514 -4.978 -3.206 1.00 0.00 C ATOM 307 CG TRP A 22 -4.585 -5.201 -4.356 1.00 0.00 C ATOM 308 CD1 TRP A 22 -4.948 -5.133 -5.658 1.00 0.00 C ATOM 309 CD2 TRP A 22 -3.159 -5.533 -4.358 1.00 0.00 C ATOM 310 NE1 TRP A 22 -3.850 -5.364 -6.461 1.00 0.00 N ATOM 311 CE2 TRP A 22 -2.732 -5.656 -5.714 1.00 0.00 C ATOM 312 CE3 TRP A 22 -2.180 -5.757 -3.364 1.00 0.00 C ATOM 313 CZ2 TRP A 22 -1.429 -6.026 -6.060 1.00 0.00 C ATOM 314 CZ3 TRP A 22 -0.862 -6.117 -3.701 1.00 0.00 C ATOM 315 CH2 TRP A 22 -0.493 -6.280 -5.046 1.00 0.00 C ATOM 0 H TRP A 22 -7.224 -4.871 -1.421 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.498 -6.878 -3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.359 -4.389 -3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.995 -4.373 -2.463 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.947 -4.929 -6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.865 -5.323 -7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.449 -5.650 -2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.145 -6.116 -7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -0.130 -6.269 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.507 -6.600 -5.299 1.00 0.00 H new ATOM 325 N LEU A 23 -4.321 -6.488 -0.750 1.00 0.00 N ATOM 326 CA LEU A 23 -3.227 -7.169 -0.042 1.00 0.00 C ATOM 327 C LEU A 23 -3.684 -8.548 0.455 1.00 0.00 C ATOM 328 O LEU A 23 -2.993 -9.536 0.209 1.00 0.00 O ATOM 329 CB LEU A 23 -2.666 -6.279 1.093 1.00 0.00 C ATOM 330 CG LEU A 23 -1.958 -4.994 0.607 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.792 -3.970 1.729 1.00 0.00 C ATOM 332 CD2 LEU A 23 -0.552 -5.301 0.102 1.00 0.00 C ATOM 0 H LEU A 23 -4.558 -5.578 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.406 -7.338 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.484 -5.999 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.962 -6.865 1.684 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.590 -4.594 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.290 -3.084 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.772 -3.692 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.195 -4.403 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.077 -4.379 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.036 -5.740 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.609 -6.003 -0.729 1.00 0.00 H new ATOM 343 N ARG A 24 -4.888 -8.655 1.037 1.00 0.00 N ATOM 344 CA ARG A 24 -5.512 -9.935 1.419 1.00 0.00 C ATOM 345 C ARG A 24 -5.698 -10.893 0.231 1.00 0.00 C ATOM 346 O ARG A 24 -5.226 -12.028 0.300 1.00 0.00 O ATOM 347 CB ARG A 24 -6.833 -9.633 2.153 1.00 0.00 C ATOM 348 CG ARG A 24 -7.644 -10.877 2.543 1.00 0.00 C ATOM 349 CD ARG A 24 -8.793 -10.521 3.498 1.00 0.00 C ATOM 350 NE ARG A 24 -8.329 -10.373 4.894 1.00 0.00 N ATOM 351 CZ ARG A 24 -9.088 -10.348 5.977 1.00 0.00 C ATOM 352 NH1 ARG A 24 -10.390 -10.340 5.915 1.00 0.00 N ATOM 353 NH2 ARG A 24 -8.548 -10.341 7.162 1.00 0.00 N ATOM 0 H ARG A 24 -5.465 -7.844 1.260 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.840 -10.469 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.611 -9.063 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.450 -8.997 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.047 -11.346 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.988 -11.607 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.261 -9.592 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.557 -11.297 3.451 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.323 -10.281 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.857 -10.353 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.941 -10.321 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.533 -10.355 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.140 -10.322 7.992 1.00 0.00 H new ATOM 364 N ALA A 25 -6.337 -10.454 -0.855 1.00 0.00 N ATOM 365 CA ALA A 25 -6.604 -11.273 -2.045 1.00 0.00 C ATOM 366 C ALA A 25 -5.333 -11.639 -2.849 1.00 0.00 C ATOM 367 O ALA A 25 -5.269 -12.707 -3.464 1.00 0.00 O ATOM 368 CB ALA A 25 -7.624 -10.536 -2.925 1.00 0.00 C ATOM 0 H ALA A 25 -6.691 -9.501 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.008 -12.228 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.834 -11.130 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.546 -10.384 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.217 -9.570 -3.223 1.00 0.00 H new ATOM 374 N THR A 26 -4.311 -10.780 -2.822 1.00 0.00 N ATOM 375 CA THR A 26 -2.980 -10.969 -3.423 1.00 0.00 C ATOM 376 C THR A 26 -2.172 -12.037 -2.674 1.00 0.00 C ATOM 377 O THR A 26 -1.486 -12.838 -3.314 1.00 0.00 O ATOM 378 CB THR A 26 -2.230 -9.618 -3.442 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.836 -8.768 -4.390 1.00 0.00 O ATOM 380 CG2 THR A 26 -0.759 -9.683 -3.848 1.00 0.00 C ATOM 0 H THR A 26 -4.391 -9.878 -2.353 1.00 0.00 H new ATOM 0 HA THR A 26 -3.105 -11.324 -4.446 1.00 0.00 H new ATOM 0 HB THR A 26 -2.283 -9.268 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.638 -7.835 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.331 -8.681 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.217 -10.323 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.677 -10.092 -4.855 1.00 0.00 H new ATOM 388 N GLY A 27 -2.259 -12.085 -1.336 1.00 0.00 N ATOM 389 CA GLY A 27 -1.608 -13.107 -0.496 1.00 0.00 C ATOM 390 C GLY A 27 -0.882 -12.584 0.754 1.00 0.00 C ATOM 391 O GLY A 27 -0.138 -13.337 1.387 1.00 0.00 O ATOM 0 H GLY A 27 -2.793 -11.404 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.364 -13.825 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.889 -13.650 -1.110 1.00 0.00 H new ATOM 395 N PHE A 28 -1.084 -11.314 1.116 1.00 0.00 N ATOM 396 CA PHE A 28 -0.397 -10.594 2.194 1.00 0.00 C ATOM 397 C PHE A 28 -1.367 -9.822 3.122 1.00 0.00 C ATOM 398 O PHE A 28 -1.205 -8.610 3.309 1.00 0.00 O ATOM 399 CB PHE A 28 0.643 -9.638 1.594 1.00 0.00 C ATOM 400 CG PHE A 28 1.540 -10.185 0.508 1.00 0.00 C ATOM 401 CD1 PHE A 28 2.662 -10.967 0.836 1.00 0.00 C ATOM 402 CD2 PHE A 28 1.265 -9.877 -0.837 1.00 0.00 C ATOM 403 CE1 PHE A 28 3.486 -11.469 -0.185 1.00 0.00 C ATOM 404 CE2 PHE A 28 2.102 -10.361 -1.854 1.00 0.00 C ATOM 405 CZ PHE A 28 3.198 -11.169 -1.527 1.00 0.00 C ATOM 0 H PHE A 28 -1.769 -10.728 0.639 1.00 0.00 H new ATOM 0 HA PHE A 28 0.096 -11.340 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.115 -8.774 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.276 -9.276 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.889 -11.181 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.409 -9.268 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.339 -12.084 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.902 -10.111 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.826 -11.564 -2.312 1.00 0.00 H new ATOM 414 N PRO A 29 -2.375 -10.471 3.742 1.00 0.00 N ATOM 415 CA PRO A 29 -3.332 -9.788 4.621 1.00 0.00 C ATOM 416 C PRO A 29 -2.680 -9.075 5.830 1.00 0.00 C ATOM 417 O PRO A 29 -3.285 -8.186 6.431 1.00 0.00 O ATOM 418 CB PRO A 29 -4.350 -10.860 5.031 1.00 0.00 C ATOM 419 CG PRO A 29 -3.651 -12.201 4.803 1.00 0.00 C ATOM 420 CD PRO A 29 -2.590 -11.913 3.742 1.00 0.00 C ATOM 0 HA PRO A 29 -3.812 -8.964 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.643 -10.743 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.259 -10.786 4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.200 -12.573 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.354 -12.961 4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.664 -12.442 3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.921 -12.254 2.761 1.00 0.00 H new ATOM 425 N GLN A 30 -1.427 -9.412 6.159 1.00 0.00 N ATOM 426 CA GLN A 30 -0.599 -8.750 7.171 1.00 0.00 C ATOM 427 C GLN A 30 -0.207 -7.299 6.825 1.00 0.00 C ATOM 428 O GLN A 30 -0.214 -6.447 7.712 1.00 0.00 O ATOM 429 CB GLN A 30 0.652 -9.623 7.388 1.00 0.00 C ATOM 430 CG GLN A 30 1.683 -9.034 8.364 1.00 0.00 C ATOM 431 CD GLN A 30 1.092 -8.679 9.730 1.00 0.00 C ATOM 432 OE1 GLN A 30 1.078 -7.418 10.102 1.00 0.00 O flip ATOM 433 NE2 GLN A 30 0.622 -9.523 10.480 1.00 0.00 N flip ATOM 0 H GLN A 30 -0.943 -10.187 5.707 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.189 -8.659 8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.338 -10.599 7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.136 -9.787 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.493 -9.751 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.121 -8.139 7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.625 -10.506 10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.227 -9.244 11.378 1.00 0.00 H new ATOM 440 N TYR A 31 0.143 -6.969 5.577 1.00 0.00 N ATOM 441 CA TYR A 31 0.578 -5.601 5.238 1.00 0.00 C ATOM 442 C TYR A 31 -0.527 -4.561 5.441 1.00 0.00 C ATOM 443 O TYR A 31 -0.273 -3.451 5.914 1.00 0.00 O ATOM 444 CB TYR A 31 1.046 -5.545 3.789 1.00 0.00 C ATOM 445 CG TYR A 31 2.378 -6.200 3.497 1.00 0.00 C ATOM 446 CD1 TYR A 31 3.522 -5.951 4.284 1.00 0.00 C ATOM 447 CD2 TYR A 31 2.479 -7.002 2.353 1.00 0.00 C ATOM 448 CE1 TYR A 31 4.767 -6.480 3.893 1.00 0.00 C ATOM 449 CE2 TYR A 31 3.707 -7.570 1.983 1.00 0.00 C ATOM 450 CZ TYR A 31 4.863 -7.269 2.728 1.00 0.00 C ATOM 451 OH TYR A 31 6.081 -7.673 2.291 1.00 0.00 O ATOM 0 H TYR A 31 0.136 -7.618 4.790 1.00 0.00 H new ATOM 0 HA TYR A 31 1.396 -5.357 5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.287 -6.016 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.104 -4.499 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.443 -5.357 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.602 -7.185 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.648 -6.282 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.765 -8.233 1.133 1.00 0.00 H new ATOM 0 HH TYR A 31 6.642 -7.911 3.059 1.00 0.00 H new ATOM 460 N ALA A 32 -1.768 -4.947 5.146 1.00 0.00 N ATOM 461 CA ALA A 32 -2.937 -4.145 5.459 1.00 0.00 C ATOM 462 C ALA A 32 -3.083 -3.920 6.969 1.00 0.00 C ATOM 463 O ALA A 32 -3.369 -2.804 7.388 1.00 0.00 O ATOM 464 CB ALA A 32 -4.153 -4.863 4.895 1.00 0.00 C ATOM 0 H ALA A 32 -1.985 -5.829 4.682 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.836 -3.157 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.051 -4.285 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.044 -4.970 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.237 -5.850 5.351 1.00 0.00 H new ATOM 470 N GLN A 33 -2.822 -4.943 7.791 1.00 0.00 N ATOM 471 CA GLN A 33 -2.814 -4.827 9.253 1.00 0.00 C ATOM 472 C GLN A 33 -1.692 -3.925 9.780 1.00 0.00 C ATOM 473 O GLN A 33 -1.934 -3.145 10.695 1.00 0.00 O ATOM 474 CB GLN A 33 -2.740 -6.225 9.897 1.00 0.00 C ATOM 475 CG GLN A 33 -4.057 -6.609 10.587 1.00 0.00 C ATOM 476 CD GLN A 33 -5.219 -6.778 9.608 1.00 0.00 C ATOM 477 OE1 GLN A 33 -5.864 -5.826 9.185 1.00 0.00 O ATOM 478 NE2 GLN A 33 -5.548 -7.990 9.218 1.00 0.00 N ATOM 0 H GLN A 33 -2.609 -5.883 7.457 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.750 -4.346 9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.502 -6.965 9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.929 -6.247 10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.915 -7.539 11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.314 -5.843 11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.023 -8.795 9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.328 -8.125 8.575 1.00 0.00 H new ATOM 485 N LEU A 34 -0.491 -3.970 9.196 1.00 0.00 N ATOM 486 CA LEU A 34 0.606 -3.059 9.547 1.00 0.00 C ATOM 487 C LEU A 34 0.245 -1.579 9.300 1.00 0.00 C ATOM 488 O LEU A 34 0.629 -0.711 10.088 1.00 0.00 O ATOM 489 CB LEU A 34 1.860 -3.456 8.757 1.00 0.00 C ATOM 490 CG LEU A 34 2.777 -4.470 9.462 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.478 -5.383 8.452 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.846 -3.796 10.324 1.00 0.00 C ATOM 0 H LEU A 34 -0.250 -4.640 8.465 1.00 0.00 H new ATOM 0 HA LEU A 34 0.797 -3.152 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.551 -3.873 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.436 -2.556 8.542 1.00 0.00 H new ATOM 0 HG LEU A 34 2.124 -5.057 10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.119 -6.088 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.731 -5.932 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.084 -4.780 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.465 -4.558 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.471 -3.159 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.365 -3.190 11.092 1.00 0.00 H new ATOM 503 N TYR A 35 -0.528 -1.280 8.252 1.00 0.00 N ATOM 504 CA TYR A 35 -1.096 0.055 8.042 1.00 0.00 C ATOM 505 C TYR A 35 -2.298 0.340 8.951 1.00 0.00 C ATOM 506 O TYR A 35 -2.318 1.363 9.621 1.00 0.00 O ATOM 507 CB TYR A 35 -1.471 0.216 6.574 1.00 0.00 C ATOM 508 CG TYR A 35 -2.096 1.552 6.219 1.00 0.00 C ATOM 509 CD1 TYR A 35 -1.283 2.648 5.862 1.00 0.00 C ATOM 510 CD2 TYR A 35 -3.499 1.688 6.209 1.00 0.00 C ATOM 511 CE1 TYR A 35 -1.874 3.857 5.445 1.00 0.00 C ATOM 512 CE2 TYR A 35 -4.087 2.909 5.825 1.00 0.00 C ATOM 513 CZ TYR A 35 -3.277 3.990 5.414 1.00 0.00 C ATOM 514 OH TYR A 35 -3.836 5.164 5.010 1.00 0.00 O ATOM 0 H TYR A 35 -0.777 -1.954 7.528 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.336 0.788 8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.576 0.077 5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.166 -0.578 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.208 2.560 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.124 0.855 6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.249 4.686 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.161 3.019 5.845 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.813 5.091 5.045 1.00 0.00 H new ATOM 523 N GLU A 36 -3.279 -0.556 9.047 1.00 0.00 N ATOM 524 CA GLU A 36 -4.454 -0.378 9.914 1.00 0.00 C ATOM 525 C GLU A 36 -4.093 -0.268 11.415 1.00 0.00 C ATOM 526 O GLU A 36 -4.887 0.249 12.203 1.00 0.00 O ATOM 527 CB GLU A 36 -5.465 -1.511 9.659 1.00 0.00 C ATOM 528 CG GLU A 36 -6.148 -1.442 8.281 1.00 0.00 C ATOM 529 CD GLU A 36 -7.360 -0.487 8.274 1.00 0.00 C ATOM 530 OE1 GLU A 36 -7.171 0.749 8.365 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.515 -0.969 8.168 1.00 0.00 O ATOM 0 H GLU A 36 -3.286 -1.432 8.525 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.910 0.577 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.953 -2.469 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.231 -1.482 10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.424 -1.112 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.474 -2.440 7.989 1.00 0.00 H new ATOM 536 N ASP A 37 -2.888 -0.697 11.815 1.00 0.00 N ATOM 537 CA ASP A 37 -2.308 -0.480 13.145 1.00 0.00 C ATOM 538 C ASP A 37 -2.092 1.015 13.467 1.00 0.00 C ATOM 539 O ASP A 37 -2.597 1.491 14.487 1.00 0.00 O ATOM 540 CB ASP A 37 -0.980 -1.250 13.261 1.00 0.00 C ATOM 541 CG ASP A 37 -0.448 -1.239 14.701 1.00 0.00 C ATOM 542 OD1 ASP A 37 -0.991 -1.987 15.549 1.00 0.00 O ATOM 543 OD2 ASP A 37 0.521 -0.495 14.989 1.00 0.00 O ATOM 0 H ASP A 37 -2.269 -1.223 11.198 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.022 -0.856 13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.125 -2.279 12.933 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.241 -0.805 12.595 1.00 0.00 H new ATOM 547 N PHE A 38 -1.366 1.755 12.609 1.00 0.00 N ATOM 548 CA PHE A 38 -1.032 3.184 12.816 1.00 0.00 C ATOM 549 C PHE A 38 -0.435 3.926 11.597 1.00 0.00 C ATOM 550 O PHE A 38 0.201 4.972 11.748 1.00 0.00 O ATOM 551 CB PHE A 38 -0.131 3.356 14.062 1.00 0.00 C ATOM 552 CG PHE A 38 -0.752 4.299 15.075 1.00 0.00 C ATOM 553 CD1 PHE A 38 -1.082 5.624 14.717 1.00 0.00 C ATOM 554 CD2 PHE A 38 -1.081 3.828 16.359 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.750 6.459 15.626 1.00 0.00 C ATOM 556 CE2 PHE A 38 -1.740 4.666 17.273 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.083 5.979 16.903 1.00 0.00 C ATOM 0 H PHE A 38 -0.988 1.376 11.740 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.996 3.668 12.975 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.039 2.384 14.525 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.843 3.739 13.757 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.819 5.997 13.738 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.826 2.818 16.643 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.008 7.469 15.344 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.984 4.302 18.260 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.603 6.618 17.601 1.00 0.00 H new ATOM 566 N LEU A 39 -0.647 3.404 10.391 1.00 0.00 N ATOM 567 CA LEU A 39 -0.024 3.806 9.132 1.00 0.00 C ATOM 568 C LEU A 39 1.519 3.756 9.248 1.00 0.00 C ATOM 569 O LEU A 39 2.164 4.719 9.659 1.00 0.00 O ATOM 570 CB LEU A 39 -0.587 5.146 8.587 1.00 0.00 C ATOM 571 CG LEU A 39 -2.095 5.499 8.682 1.00 0.00 C ATOM 572 CD1 LEU A 39 -3.081 4.334 8.762 1.00 0.00 C ATOM 573 CD2 LEU A 39 -2.398 6.418 9.868 1.00 0.00 C ATOM 0 H LEU A 39 -1.304 2.635 10.259 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.295 3.079 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.044 5.945 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.318 5.195 7.532 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.257 5.987 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.098 4.722 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.983 3.713 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.866 3.736 9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.465 6.638 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.106 5.924 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.838 7.347 9.761 1.00 0.00 H new ATOM 584 N PHE A 40 2.116 2.596 8.947 1.00 0.00 N ATOM 585 CA PHE A 40 3.563 2.331 9.051 1.00 0.00 C ATOM 586 C PHE A 40 4.384 2.798 7.813 1.00 0.00 C ATOM 587 O PHE A 40 4.138 2.325 6.702 1.00 0.00 O ATOM 588 CB PHE A 40 3.761 0.832 9.353 1.00 0.00 C ATOM 589 CG PHE A 40 3.610 -0.179 8.215 1.00 0.00 C ATOM 590 CD1 PHE A 40 2.574 -0.116 7.253 1.00 0.00 C ATOM 591 CD2 PHE A 40 4.552 -1.218 8.121 1.00 0.00 C ATOM 592 CE1 PHE A 40 2.500 -1.062 6.214 1.00 0.00 C ATOM 593 CE2 PHE A 40 4.480 -2.167 7.085 1.00 0.00 C ATOM 594 CZ PHE A 40 3.447 -2.094 6.137 1.00 0.00 C ATOM 0 H PHE A 40 1.591 1.788 8.613 1.00 0.00 H new ATOM 0 HA PHE A 40 3.960 2.932 9.869 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.760 0.710 9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.052 0.557 10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.832 0.666 7.317 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.342 -1.289 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.714 -0.994 5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.219 -2.952 7.019 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.382 -2.831 5.350 1.00 0.00 H new ATOM 603 N PRO A 41 5.345 3.740 7.937 1.00 0.00 N ATOM 604 CA PRO A 41 6.114 4.250 6.798 1.00 0.00 C ATOM 605 C PRO A 41 7.395 3.436 6.567 1.00 0.00 C ATOM 606 O PRO A 41 8.488 3.836 6.979 1.00 0.00 O ATOM 607 CB PRO A 41 6.375 5.719 7.125 1.00 0.00 C ATOM 608 CG PRO A 41 6.474 5.749 8.647 1.00 0.00 C ATOM 609 CD PRO A 41 5.584 4.589 9.101 1.00 0.00 C ATOM 0 HA PRO A 41 5.575 4.156 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.294 6.074 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.568 6.357 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.503 5.617 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.126 6.700 9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.068 4.022 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.642 4.962 9.503 1.00 0.00 H new ATOM 614 N ILE A 42 7.272 2.271 5.921 1.00 0.00 N ATOM 615 CA ILE A 42 8.434 1.432 5.567 1.00 0.00 C ATOM 616 C ILE A 42 9.042 1.868 4.228 1.00 0.00 C ATOM 617 O ILE A 42 8.437 2.620 3.458 1.00 0.00 O ATOM 618 CB ILE A 42 8.118 -0.087 5.613 1.00 0.00 C ATOM 619 CG1 ILE A 42 7.563 -0.656 4.283 1.00 0.00 C ATOM 620 CG2 ILE A 42 7.257 -0.380 6.846 1.00 0.00 C ATOM 621 CD1 ILE A 42 6.412 -1.659 4.351 1.00 0.00 C ATOM 0 H ILE A 42 6.376 1.882 5.629 1.00 0.00 H new ATOM 0 HA ILE A 42 9.190 1.592 6.335 1.00 0.00 H new ATOM 0 HB ILE A 42 9.054 -0.636 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.236 0.185 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.389 -1.132 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.030 -1.445 6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.800 -0.090 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.328 0.187 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.135 -1.964 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.725 -2.533 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.554 -1.196 4.838 1.00 0.00 H new ATOM 632 N ASP A 43 10.224 1.345 3.921 1.00 0.00 N ATOM 633 CA ASP A 43 10.858 1.496 2.613 1.00 0.00 C ATOM 634 C ASP A 43 10.604 0.230 1.776 1.00 0.00 C ATOM 635 O ASP A 43 10.863 -0.882 2.237 1.00 0.00 O ATOM 636 CB ASP A 43 12.355 1.765 2.835 1.00 0.00 C ATOM 637 CG ASP A 43 13.080 2.267 1.576 1.00 0.00 C ATOM 638 OD1 ASP A 43 12.565 2.077 0.451 1.00 0.00 O ATOM 639 OD2 ASP A 43 14.184 2.846 1.719 1.00 0.00 O ATOM 0 H ASP A 43 10.777 0.797 4.580 1.00 0.00 H new ATOM 0 HA ASP A 43 10.439 2.336 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.470 2.503 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.834 0.848 3.179 1.00 0.00 H new ATOM 643 N ILE A 44 10.116 0.366 0.540 1.00 0.00 N ATOM 644 CA ILE A 44 9.995 -0.763 -0.402 1.00 0.00 C ATOM 645 C ILE A 44 11.358 -1.414 -0.690 1.00 0.00 C ATOM 646 O ILE A 44 11.417 -2.627 -0.874 1.00 0.00 O ATOM 647 CB ILE A 44 9.294 -0.317 -1.702 1.00 0.00 C ATOM 648 CG1 ILE A 44 7.867 0.213 -1.430 1.00 0.00 C ATOM 649 CG2 ILE A 44 9.261 -1.447 -2.749 1.00 0.00 C ATOM 650 CD1 ILE A 44 6.880 -0.800 -0.843 1.00 0.00 C ATOM 0 H ILE A 44 9.793 1.256 0.160 1.00 0.00 H new ATOM 0 HA ILE A 44 9.375 -1.525 0.070 1.00 0.00 H new ATOM 0 HB ILE A 44 9.885 0.503 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.938 1.060 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.456 0.592 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.759 -1.094 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.280 -1.745 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.720 -2.302 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.913 -0.321 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.767 -1.638 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.257 -1.163 0.113 1.00 0.00 H new ATOM 661 N SER A 45 12.464 -0.662 -0.649 1.00 0.00 N ATOM 662 CA SER A 45 13.825 -1.221 -0.721 1.00 0.00 C ATOM 663 C SER A 45 14.120 -2.209 0.425 1.00 0.00 C ATOM 664 O SER A 45 14.822 -3.202 0.220 1.00 0.00 O ATOM 665 CB SER A 45 14.840 -0.071 -0.744 1.00 0.00 C ATOM 666 OG SER A 45 16.180 -0.522 -0.623 1.00 0.00 O ATOM 0 H SER A 45 12.444 0.354 -0.565 1.00 0.00 H new ATOM 0 HA SER A 45 13.909 -1.799 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.731 0.486 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.619 0.620 0.069 1.00 0.00 H new ATOM 0 HG SER A 45 16.787 0.247 -0.645 1.00 0.00 H new ATOM 671 N LEU A 46 13.529 -1.999 1.611 1.00 0.00 N ATOM 672 CA LEU A 46 13.548 -2.937 2.742 1.00 0.00 C ATOM 673 C LEU A 46 12.483 -4.039 2.597 1.00 0.00 C ATOM 674 O LEU A 46 12.749 -5.195 2.924 1.00 0.00 O ATOM 675 CB LEU A 46 13.416 -2.123 4.049 1.00 0.00 C ATOM 676 CG LEU A 46 13.102 -2.908 5.343 1.00 0.00 C ATOM 677 CD1 LEU A 46 13.534 -2.065 6.543 1.00 0.00 C ATOM 678 CD2 LEU A 46 11.604 -3.184 5.527 1.00 0.00 C ATOM 0 H LEU A 46 13.009 -1.146 1.815 1.00 0.00 H new ATOM 0 HA LEU A 46 14.495 -3.476 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.347 -1.578 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.631 -1.380 3.906 1.00 0.00 H new ATOM 0 HG LEU A 46 13.632 -3.858 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.319 -2.606 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.604 -1.865 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.988 -1.122 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.447 -3.738 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.063 -2.239 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.236 -3.772 4.686 1.00 0.00 H new ATOM 689 N VAL A 47 11.287 -3.728 2.093 1.00 0.00 N ATOM 690 CA VAL A 47 10.213 -4.730 1.973 1.00 0.00 C ATOM 691 C VAL A 47 10.494 -5.772 0.883 1.00 0.00 C ATOM 692 O VAL A 47 10.233 -6.955 1.090 1.00 0.00 O ATOM 693 CB VAL A 47 8.830 -4.058 1.835 1.00 0.00 C ATOM 694 CG1 VAL A 47 8.084 -4.339 0.523 1.00 0.00 C ATOM 695 CG2 VAL A 47 7.971 -4.496 3.024 1.00 0.00 C ATOM 0 H VAL A 47 11.033 -2.797 1.762 1.00 0.00 H new ATOM 0 HA VAL A 47 10.192 -5.295 2.905 1.00 0.00 H new ATOM 0 HB VAL A 47 9.010 -2.983 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.126 -3.820 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.681 -3.986 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.915 -5.411 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.986 -4.034 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.865 -5.581 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.449 -4.185 3.953 1.00 0.00 H new ATOM 705 N LYS A 48 11.088 -5.361 -0.245 1.00 0.00 N ATOM 706 CA LYS A 48 11.485 -6.240 -1.356 1.00 0.00 C ATOM 707 C LYS A 48 12.501 -7.289 -0.911 1.00 0.00 C ATOM 708 O LYS A 48 12.305 -8.470 -1.185 1.00 0.00 O ATOM 709 CB LYS A 48 11.999 -5.368 -2.520 1.00 0.00 C ATOM 710 CG LYS A 48 12.677 -6.144 -3.673 1.00 0.00 C ATOM 711 CD LYS A 48 14.084 -5.611 -3.975 1.00 0.00 C ATOM 712 CE LYS A 48 14.029 -4.208 -4.602 1.00 0.00 C ATOM 713 NZ LYS A 48 14.576 -4.196 -5.985 1.00 0.00 N ATOM 0 H LYS A 48 11.312 -4.381 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 48 10.620 -6.805 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.161 -4.803 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.710 -4.643 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.738 -7.201 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.062 -6.072 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.667 -5.578 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.596 -6.294 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.997 -3.857 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.594 -3.511 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.521 -3.232 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.569 -4.506 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.022 -4.841 -6.583 1.00 0.00 H new ATOM 723 N ARG A 49 13.558 -6.884 -0.199 1.00 0.00 N ATOM 724 CA ARG A 49 14.561 -7.817 0.353 1.00 0.00 C ATOM 725 C ARG A 49 13.986 -8.761 1.419 1.00 0.00 C ATOM 726 O ARG A 49 14.391 -9.922 1.478 1.00 0.00 O ATOM 727 CB ARG A 49 15.804 -7.055 0.851 1.00 0.00 C ATOM 728 CG ARG A 49 15.495 -6.079 1.996 1.00 0.00 C ATOM 729 CD ARG A 49 16.696 -5.312 2.555 1.00 0.00 C ATOM 730 NE ARG A 49 17.257 -4.388 1.551 1.00 0.00 N ATOM 731 CZ ARG A 49 18.280 -4.610 0.750 1.00 0.00 C ATOM 732 NH1 ARG A 49 18.964 -5.719 0.787 1.00 0.00 N ATOM 733 NH2 ARG A 49 18.626 -3.715 -0.128 1.00 0.00 N ATOM 0 H ARG A 49 13.747 -5.904 0.013 1.00 0.00 H new ATOM 0 HA ARG A 49 14.874 -8.467 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.553 -7.773 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.241 -6.503 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.757 -5.357 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.032 -6.637 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.392 -4.751 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.464 -6.017 2.873 1.00 0.00 H new ATOM 0 HE ARG A 49 16.804 -3.478 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.713 -6.451 1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.750 -5.855 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.106 -2.840 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.418 -3.888 -0.747 1.00 0.00 H new ATOM 744 N GLU A 50 13.030 -8.301 2.233 1.00 0.00 N ATOM 745 CA GLU A 50 12.342 -9.145 3.228 1.00 0.00 C ATOM 746 C GLU A 50 11.348 -10.143 2.602 1.00 0.00 C ATOM 747 O GLU A 50 11.223 -11.272 3.080 1.00 0.00 O ATOM 748 CB GLU A 50 11.595 -8.278 4.256 1.00 0.00 C ATOM 749 CG GLU A 50 12.519 -7.729 5.353 1.00 0.00 C ATOM 750 CD GLU A 50 11.719 -7.301 6.602 1.00 0.00 C ATOM 751 OE1 GLU A 50 10.723 -6.549 6.478 1.00 0.00 O ATOM 752 OE2 GLU A 50 12.078 -7.733 7.725 1.00 0.00 O ATOM 0 H GLU A 50 12.708 -7.333 2.224 1.00 0.00 H new ATOM 0 HA GLU A 50 13.127 -9.723 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.114 -7.446 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.803 -8.869 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.249 -8.489 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.078 -6.876 4.967 1.00 0.00 H new ATOM 757 N HIS A 51 10.672 -9.746 1.521 1.00 0.00 N ATOM 758 CA HIS A 51 9.678 -10.528 0.778 1.00 0.00 C ATOM 759 C HIS A 51 10.135 -10.715 -0.678 1.00 0.00 C ATOM 760 O HIS A 51 9.490 -10.284 -1.632 1.00 0.00 O ATOM 761 CB HIS A 51 8.274 -9.918 0.935 1.00 0.00 C ATOM 762 CG HIS A 51 7.619 -10.269 2.251 1.00 0.00 C ATOM 763 ND1 HIS A 51 8.025 -9.885 3.510 1.00 0.00 N ATOM 764 CD2 HIS A 51 6.463 -10.986 2.408 1.00 0.00 C ATOM 765 CE1 HIS A 51 7.136 -10.357 4.402 1.00 0.00 C ATOM 766 NE2 HIS A 51 6.166 -11.049 3.777 1.00 0.00 N ATOM 0 H HIS A 51 10.810 -8.819 1.118 1.00 0.00 H new ATOM 0 HA HIS A 51 9.600 -11.531 1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.344 -8.834 0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.641 -10.263 0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.880 -11.427 1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.193 -10.202 5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.374 -11.524 4.211 1.00 0.00 H new ATOM 774 N ASP A 52 11.273 -11.396 -0.829 1.00 0.00 N ATOM 775 CA ASP A 52 11.850 -11.838 -2.109 1.00 0.00 C ATOM 776 C ASP A 52 11.390 -13.271 -2.491 1.00 0.00 C ATOM 777 O ASP A 52 11.915 -13.888 -3.419 1.00 0.00 O ATOM 778 CB ASP A 52 13.381 -11.710 -2.008 1.00 0.00 C ATOM 779 CG ASP A 52 14.107 -11.881 -3.356 1.00 0.00 C ATOM 780 OD1 ASP A 52 13.743 -11.194 -4.340 1.00 0.00 O ATOM 781 OD2 ASP A 52 15.091 -12.657 -3.417 1.00 0.00 O ATOM 0 H ASP A 52 11.846 -11.668 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 52 11.490 -11.204 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.628 -10.733 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.754 -12.457 -1.307 1.00 0.00 H new ATOM 785 N PHE A 53 10.400 -13.819 -1.769 1.00 0.00 N ATOM 786 CA PHE A 53 9.769 -15.127 -2.022 1.00 0.00 C ATOM 787 C PHE A 53 9.014 -15.204 -3.373 1.00 0.00 C ATOM 788 O PHE A 53 8.766 -16.291 -3.905 1.00 0.00 O ATOM 789 CB PHE A 53 8.843 -15.449 -0.831 1.00 0.00 C ATOM 790 CG PHE A 53 8.058 -16.738 -0.986 1.00 0.00 C ATOM 791 CD1 PHE A 53 8.722 -17.977 -0.903 1.00 0.00 C ATOM 792 CD2 PHE A 53 6.679 -16.702 -1.274 1.00 0.00 C ATOM 793 CE1 PHE A 53 8.014 -19.172 -1.116 1.00 0.00 C ATOM 794 CE2 PHE A 53 5.972 -17.897 -1.487 1.00 0.00 C ATOM 795 CZ PHE A 53 6.639 -19.132 -1.411 1.00 0.00 C ATOM 0 H PHE A 53 10.000 -13.345 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 53 10.555 -15.877 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.444 -15.509 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.143 -14.624 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.777 -18.009 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.165 -15.754 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.525 -20.121 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.916 -17.867 -1.709 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.096 -20.050 -1.579 1.00 0.00 H new ATOM 804 N LEU A 54 8.688 -14.043 -3.946 1.00 0.00 N ATOM 805 CA LEU A 54 7.935 -13.837 -5.183 1.00 0.00 C ATOM 806 C LEU A 54 8.731 -12.970 -6.178 1.00 0.00 C ATOM 807 O LEU A 54 9.741 -12.354 -5.828 1.00 0.00 O ATOM 808 CB LEU A 54 6.518 -13.283 -4.877 1.00 0.00 C ATOM 809 CG LEU A 54 6.303 -12.182 -3.807 1.00 0.00 C ATOM 810 CD1 LEU A 54 6.229 -12.759 -2.389 1.00 0.00 C ATOM 811 CD2 LEU A 54 7.314 -11.037 -3.815 1.00 0.00 C ATOM 0 H LEU A 54 8.965 -13.156 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 54 7.789 -14.799 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.116 -12.899 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.899 -14.133 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 54 5.345 -11.753 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.078 -11.950 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.397 -13.460 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.159 -13.278 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.066 -10.327 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.315 -11.434 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.284 -10.532 -4.780 1.00 0.00 H new ATOM 822 N ASP A 55 8.293 -12.959 -7.439 1.00 0.00 N ATOM 823 CA ASP A 55 8.981 -12.259 -8.534 1.00 0.00 C ATOM 824 C ASP A 55 9.033 -10.735 -8.310 1.00 0.00 C ATOM 825 O ASP A 55 8.211 -10.162 -7.587 1.00 0.00 O ATOM 826 CB ASP A 55 8.293 -12.569 -9.878 1.00 0.00 C ATOM 827 CG ASP A 55 8.368 -14.041 -10.335 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.189 -14.830 -9.804 1.00 0.00 O ATOM 829 OD2 ASP A 55 7.610 -14.412 -11.262 1.00 0.00 O ATOM 0 H ASP A 55 7.443 -13.439 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 55 10.008 -12.623 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.244 -12.282 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.742 -11.943 -10.650 1.00 0.00 H new ATOM 833 N ARG A 56 9.948 -10.042 -9.005 1.00 0.00 N ATOM 834 CA ARG A 56 9.991 -8.567 -9.022 1.00 0.00 C ATOM 835 C ARG A 56 8.673 -7.943 -9.482 1.00 0.00 C ATOM 836 O ARG A 56 8.301 -6.893 -8.977 1.00 0.00 O ATOM 837 CB ARG A 56 11.157 -8.062 -9.887 1.00 0.00 C ATOM 838 CG ARG A 56 12.506 -8.310 -9.200 1.00 0.00 C ATOM 839 CD ARG A 56 13.688 -7.832 -10.056 1.00 0.00 C ATOM 840 NE ARG A 56 14.166 -8.868 -10.995 1.00 0.00 N ATOM 841 CZ ARG A 56 14.906 -9.924 -10.696 1.00 0.00 C ATOM 842 NH1 ARG A 56 15.255 -10.208 -9.471 1.00 0.00 N ATOM 843 NH2 ARG A 56 15.315 -10.734 -11.631 1.00 0.00 N ATOM 0 H ARG A 56 10.675 -10.482 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 56 10.151 -8.249 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.140 -8.565 -10.854 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.035 -6.996 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.523 -7.795 -8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.616 -9.374 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.390 -6.947 -10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.508 -7.533 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 56 13.898 -8.758 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.956 -9.607 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.826 -11.031 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.065 -10.557 -12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.885 -11.545 -11.390 1.00 0.00 H new ATOM 854 N ASP A 57 7.934 -8.605 -10.372 1.00 0.00 N ATOM 855 CA ASP A 57 6.598 -8.176 -10.812 1.00 0.00 C ATOM 856 C ASP A 57 5.574 -8.172 -9.658 1.00 0.00 C ATOM 857 O ASP A 57 4.773 -7.244 -9.526 1.00 0.00 O ATOM 858 CB ASP A 57 6.132 -9.106 -11.948 1.00 0.00 C ATOM 859 CG ASP A 57 5.164 -8.461 -12.961 1.00 0.00 C ATOM 860 OD1 ASP A 57 4.727 -7.299 -12.777 1.00 0.00 O ATOM 861 OD2 ASP A 57 4.851 -9.123 -13.978 1.00 0.00 O ATOM 0 H ASP A 57 8.247 -9.468 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 57 6.664 -7.148 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.009 -9.467 -12.485 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.647 -9.977 -11.508 1.00 0.00 H new ATOM 865 N ALA A 58 5.640 -9.171 -8.767 1.00 0.00 N ATOM 866 CA ALA A 58 4.840 -9.197 -7.547 1.00 0.00 C ATOM 867 C ALA A 58 5.272 -8.092 -6.578 1.00 0.00 C ATOM 868 O ALA A 58 4.401 -7.462 -5.984 1.00 0.00 O ATOM 869 CB ALA A 58 4.939 -10.568 -6.878 1.00 0.00 C ATOM 0 H ALA A 58 6.251 -9.981 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 58 3.800 -9.014 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.338 -10.574 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.571 -11.334 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.979 -10.776 -6.626 1.00 0.00 H new ATOM 875 N ILE A 59 6.576 -7.798 -6.450 1.00 0.00 N ATOM 876 CA ILE A 59 7.022 -6.621 -5.689 1.00 0.00 C ATOM 877 C ILE A 59 6.563 -5.313 -6.322 1.00 0.00 C ATOM 878 O ILE A 59 6.181 -4.429 -5.582 1.00 0.00 O ATOM 879 CB ILE A 59 8.540 -6.613 -5.373 1.00 0.00 C ATOM 880 CG1 ILE A 59 8.758 -6.918 -3.872 1.00 0.00 C ATOM 881 CG2 ILE A 59 9.280 -5.312 -5.770 1.00 0.00 C ATOM 882 CD1 ILE A 59 8.249 -5.859 -2.871 1.00 0.00 C ATOM 0 H ILE A 59 7.330 -8.351 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 59 6.525 -6.705 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 59 8.980 -7.392 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.271 -7.866 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.826 -7.060 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.335 -5.400 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.182 -5.151 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.844 -4.468 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.460 -6.189 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.753 -4.911 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.174 -5.729 -2.994 1.00 0.00 H new ATOM 893 N GLU A 60 6.559 -5.151 -7.643 1.00 0.00 N ATOM 894 CA GLU A 60 6.103 -3.916 -8.301 1.00 0.00 C ATOM 895 C GLU A 60 4.594 -3.691 -8.088 1.00 0.00 C ATOM 896 O GLU A 60 4.153 -2.561 -7.865 1.00 0.00 O ATOM 897 CB GLU A 60 6.441 -3.982 -9.799 1.00 0.00 C ATOM 898 CG GLU A 60 7.946 -3.853 -10.089 1.00 0.00 C ATOM 899 CD GLU A 60 8.380 -2.384 -10.241 1.00 0.00 C ATOM 900 OE1 GLU A 60 8.352 -1.855 -11.381 1.00 0.00 O ATOM 901 OE2 GLU A 60 8.764 -1.748 -9.229 1.00 0.00 O ATOM 0 H GLU A 60 6.872 -5.871 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 60 6.621 -3.068 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.080 -4.927 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.908 -3.187 -10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.512 -4.316 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.188 -4.399 -11.001 1.00 0.00 H new ATOM 906 N ALA A 61 3.808 -4.772 -8.083 1.00 0.00 N ATOM 907 CA ALA A 61 2.383 -4.759 -7.765 1.00 0.00 C ATOM 908 C ALA A 61 2.118 -4.502 -6.267 1.00 0.00 C ATOM 909 O ALA A 61 1.323 -3.632 -5.914 1.00 0.00 O ATOM 910 CB ALA A 61 1.805 -6.104 -8.223 1.00 0.00 C ATOM 0 H ALA A 61 4.158 -5.704 -8.306 1.00 0.00 H new ATOM 0 HA ALA A 61 1.894 -3.936 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.738 -6.135 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.958 -6.219 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.308 -6.915 -7.696 1.00 0.00 H new ATOM 916 N LEU A 62 2.819 -5.209 -5.375 1.00 0.00 N ATOM 917 CA LEU A 62 2.748 -5.041 -3.920 1.00 0.00 C ATOM 918 C LEU A 62 3.234 -3.654 -3.490 1.00 0.00 C ATOM 919 O LEU A 62 2.584 -3.001 -2.681 1.00 0.00 O ATOM 920 CB LEU A 62 3.572 -6.166 -3.269 1.00 0.00 C ATOM 921 CG LEU A 62 3.847 -5.980 -1.773 1.00 0.00 C ATOM 922 CD1 LEU A 62 2.559 -5.956 -0.957 1.00 0.00 C ATOM 923 CD2 LEU A 62 4.758 -7.094 -1.266 1.00 0.00 C ATOM 0 H LEU A 62 3.474 -5.939 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 62 1.712 -5.110 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.048 -7.111 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.525 -6.248 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 62 4.340 -5.016 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.799 -5.822 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.930 -5.131 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.026 -6.897 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.948 -6.953 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.276 -8.059 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.702 -7.067 -1.809 1.00 0.00 H new ATOM 934 N CYS A 63 4.331 -3.181 -4.079 1.00 0.00 N ATOM 935 CA CYS A 63 4.824 -1.812 -3.992 1.00 0.00 C ATOM 936 C CYS A 63 3.735 -0.818 -4.356 1.00 0.00 C ATOM 937 O CYS A 63 3.696 0.230 -3.742 1.00 0.00 O ATOM 938 CB CYS A 63 6.058 -1.625 -4.890 1.00 0.00 C ATOM 939 SG CYS A 63 6.602 0.107 -4.997 1.00 0.00 S ATOM 0 H CYS A 63 4.927 -3.773 -4.657 1.00 0.00 H new ATOM 0 HA CYS A 63 5.119 -1.622 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.876 -2.234 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.831 -1.991 -5.891 1.00 0.00 H new ATOM 0 HG CYS A 63 7.646 0.187 -5.768 1.00 0.00 H new ATOM 944 N ARG A 64 2.795 -1.107 -5.260 1.00 0.00 N ATOM 945 CA ARG A 64 1.713 -0.155 -5.528 1.00 0.00 C ATOM 946 C ARG A 64 0.856 0.124 -4.294 1.00 0.00 C ATOM 947 O ARG A 64 0.628 1.285 -3.957 1.00 0.00 O ATOM 948 CB ARG A 64 0.879 -0.636 -6.716 1.00 0.00 C ATOM 949 CG ARG A 64 0.142 0.554 -7.332 1.00 0.00 C ATOM 950 CD ARG A 64 -0.197 0.298 -8.801 1.00 0.00 C ATOM 951 NE ARG A 64 -0.096 1.554 -9.562 1.00 0.00 N ATOM 952 CZ ARG A 64 -0.296 1.713 -10.854 1.00 0.00 C ATOM 953 NH1 ARG A 64 -0.731 0.746 -11.609 1.00 0.00 N ATOM 954 NH2 ARG A 64 -0.050 2.863 -11.411 1.00 0.00 N ATOM 0 H ARG A 64 2.759 -1.968 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 64 2.164 0.802 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.522 -1.105 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.164 -1.392 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.774 0.746 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.759 1.449 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.483 -0.445 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.205 -0.109 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 64 0.155 2.389 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.928 -0.169 -11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.875 0.903 -12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.297 3.639 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.204 2.988 -12.411 1.00 0.00 H new ATOM 965 N ARG A 65 0.434 -0.929 -3.584 1.00 0.00 N ATOM 966 CA ARG A 65 -0.320 -0.799 -2.328 1.00 0.00 C ATOM 967 C ARG A 65 0.569 -0.350 -1.188 1.00 0.00 C ATOM 968 O ARG A 65 0.258 0.654 -0.564 1.00 0.00 O ATOM 969 CB ARG A 65 -1.044 -2.106 -1.977 1.00 0.00 C ATOM 970 CG ARG A 65 -2.063 -2.551 -3.033 1.00 0.00 C ATOM 971 CD ARG A 65 -2.917 -1.415 -3.595 1.00 0.00 C ATOM 972 NE ARG A 65 -3.902 -1.924 -4.563 1.00 0.00 N ATOM 973 CZ ARG A 65 -4.191 -1.411 -5.745 1.00 0.00 C ATOM 974 NH1 ARG A 65 -3.521 -0.423 -6.272 1.00 0.00 N ATOM 975 NH2 ARG A 65 -5.172 -1.898 -6.444 1.00 0.00 N ATOM 0 H ARG A 65 0.605 -1.895 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.074 -0.027 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.305 -2.896 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.555 -1.983 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.532 -3.032 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.720 -3.302 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.432 -0.905 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.276 -0.677 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.416 -2.762 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.735 -0.013 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.783 -0.061 -7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.720 -2.677 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.394 -1.501 -7.357 1.00 0.00 H new ATOM 986 N LEU A 66 1.691 -1.018 -0.943 1.00 0.00 N ATOM 987 CA LEU A 66 2.612 -0.616 0.109 1.00 0.00 C ATOM 988 C LEU A 66 3.133 0.811 -0.081 1.00 0.00 C ATOM 989 O LEU A 66 3.068 1.548 0.880 1.00 0.00 O ATOM 990 CB LEU A 66 3.743 -1.633 0.285 1.00 0.00 C ATOM 991 CG LEU A 66 3.358 -2.875 1.103 1.00 0.00 C ATOM 992 CD1 LEU A 66 4.596 -3.754 1.203 1.00 0.00 C ATOM 993 CD2 LEU A 66 2.927 -2.518 2.528 1.00 0.00 C ATOM 0 H LEU A 66 1.984 -1.845 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 66 2.045 -0.605 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.084 -1.953 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.586 -1.141 0.770 1.00 0.00 H new ATOM 0 HG LEU A 66 2.523 -3.370 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.361 -4.649 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.920 -4.041 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.395 -3.203 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.664 -3.428 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.747 -2.016 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.062 -1.856 2.491 1.00 0.00 H new ATOM 1004 N ASN A 67 3.538 1.273 -1.267 1.00 0.00 N ATOM 1005 CA ASN A 67 3.851 2.691 -1.519 1.00 0.00 C ATOM 1006 C ASN A 67 2.680 3.583 -1.106 1.00 0.00 C ATOM 1007 O ASN A 67 2.892 4.481 -0.303 1.00 0.00 O ATOM 1008 CB ASN A 67 4.241 2.932 -2.990 1.00 0.00 C ATOM 1009 CG ASN A 67 4.599 4.374 -3.326 1.00 0.00 C ATOM 1010 OD1 ASN A 67 3.796 5.291 -3.227 1.00 0.00 O ATOM 1011 ND2 ASN A 67 5.805 4.623 -3.781 1.00 0.00 N ATOM 0 H ASN A 67 3.660 0.676 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 67 4.714 2.955 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.090 2.295 -3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.413 2.620 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.063 5.573 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.484 3.866 -3.868 1.00 0.00 H new ATOM 1017 N THR A 68 1.453 3.307 -1.558 1.00 0.00 N ATOM 1018 CA THR A 68 0.248 4.037 -1.123 1.00 0.00 C ATOM 1019 C THR A 68 0.096 4.065 0.405 1.00 0.00 C ATOM 1020 O THR A 68 -0.120 5.133 0.979 1.00 0.00 O ATOM 1021 CB THR A 68 -0.989 3.445 -1.826 1.00 0.00 C ATOM 1022 OG1 THR A 68 -1.054 3.976 -3.134 1.00 0.00 O ATOM 1023 CG2 THR A 68 -2.329 3.717 -1.145 1.00 0.00 C ATOM 0 H THR A 68 1.262 2.570 -2.237 1.00 0.00 H new ATOM 0 HA THR A 68 0.350 5.081 -1.419 1.00 0.00 H new ATOM 0 HB THR A 68 -0.850 2.364 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.835 3.609 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.131 3.256 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.318 3.297 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.496 4.793 -1.087 1.00 0.00 H new ATOM 1031 N LEU A 69 0.272 2.929 1.086 1.00 0.00 N ATOM 1032 CA LEU A 69 0.173 2.812 2.543 1.00 0.00 C ATOM 1033 C LEU A 69 1.330 3.526 3.270 1.00 0.00 C ATOM 1034 O LEU A 69 1.083 4.332 4.158 1.00 0.00 O ATOM 1035 CB LEU A 69 0.066 1.319 2.922 1.00 0.00 C ATOM 1036 CG LEU A 69 -1.205 0.599 2.409 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -1.321 -0.779 3.056 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -2.499 1.379 2.634 1.00 0.00 C ATOM 0 H LEU A 69 0.492 2.045 0.628 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.730 3.323 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.941 0.798 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.100 1.233 4.008 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.083 0.512 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.218 -1.279 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.444 -1.375 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.384 -0.669 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.341 0.806 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.638 1.553 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.442 2.336 2.115 1.00 0.00 H new ATOM 1049 N ASN A 70 2.579 3.308 2.855 1.00 0.00 N ATOM 1050 CA ASN A 70 3.812 3.936 3.348 1.00 0.00 C ATOM 1051 C ASN A 70 3.833 5.460 3.111 1.00 0.00 C ATOM 1052 O ASN A 70 4.366 6.220 3.918 1.00 0.00 O ATOM 1053 CB ASN A 70 5.042 3.319 2.649 1.00 0.00 C ATOM 1054 CG ASN A 70 5.188 1.811 2.771 1.00 0.00 C ATOM 1055 OD1 ASN A 70 4.700 1.171 3.688 1.00 0.00 O ATOM 1056 ND2 ASN A 70 5.870 1.190 1.830 1.00 0.00 N ATOM 0 H ASN A 70 2.772 2.639 2.110 1.00 0.00 H new ATOM 0 HA ASN A 70 3.845 3.753 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.001 3.576 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.939 3.786 3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.988 0.178 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.279 1.722 1.062 1.00 0.00 H new ATOM 1062 N LYS A 71 3.238 5.918 2.005 1.00 0.00 N ATOM 1063 CA LYS A 71 3.032 7.329 1.655 1.00 0.00 C ATOM 1064 C LYS A 71 1.992 7.950 2.579 1.00 0.00 C ATOM 1065 O LYS A 71 2.326 8.868 3.327 1.00 0.00 O ATOM 1066 CB LYS A 71 2.669 7.421 0.163 1.00 0.00 C ATOM 1067 CG LYS A 71 2.303 8.830 -0.315 1.00 0.00 C ATOM 1068 CD LYS A 71 2.595 8.999 -1.817 1.00 0.00 C ATOM 1069 CE LYS A 71 4.077 9.300 -2.098 1.00 0.00 C ATOM 1070 NZ LYS A 71 4.456 10.672 -1.662 1.00 0.00 N ATOM 0 H LYS A 71 2.869 5.286 1.295 1.00 0.00 H new ATOM 0 HA LYS A 71 3.944 7.907 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.511 7.058 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.830 6.754 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.247 9.020 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.868 9.569 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.306 8.090 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.982 9.808 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.700 8.570 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.274 9.190 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.400 10.906 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.762 11.356 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.471 10.714 -0.623 1.00 0.00 H new ATOM 1080 N CYS A 72 0.797 7.364 2.665 1.00 0.00 N ATOM 1081 CA CYS A 72 -0.214 7.704 3.674 1.00 0.00 C ATOM 1082 C CYS A 72 0.203 7.380 5.128 1.00 0.00 C ATOM 1083 O CYS A 72 -0.571 7.604 6.057 1.00 0.00 O ATOM 1084 CB CYS A 72 -1.552 7.064 3.287 1.00 0.00 C ATOM 1085 SG CYS A 72 -2.158 7.849 1.765 1.00 0.00 S ATOM 0 H CYS A 72 0.497 6.627 2.026 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.322 8.789 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.428 5.992 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.277 7.190 4.091 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.292 7.314 1.423 1.00 0.00 H new ATOM 1090 N ALA A 73 1.429 6.901 5.345 1.00 0.00 N ATOM 1091 CA ALA A 73 2.054 6.720 6.646 1.00 0.00 C ATOM 1092 C ALA A 73 3.097 7.799 6.992 1.00 0.00 C ATOM 1093 O ALA A 73 3.317 8.061 8.176 1.00 0.00 O ATOM 1094 CB ALA A 73 2.686 5.338 6.668 1.00 0.00 C ATOM 0 H ALA A 73 2.038 6.617 4.578 1.00 0.00 H new ATOM 0 HA ALA A 73 1.282 6.818 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.164 5.172 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.916 4.583 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.432 5.266 5.877 1.00 0.00 H new ATOM 1100 N VAL A 74 3.708 8.463 5.998 1.00 0.00 N ATOM 1101 CA VAL A 74 4.537 9.665 6.225 1.00 0.00 C ATOM 1102 C VAL A 74 3.711 10.957 6.198 1.00 0.00 C ATOM 1103 O VAL A 74 3.990 11.862 6.984 1.00 0.00 O ATOM 1104 CB VAL A 74 5.731 9.792 5.255 1.00 0.00 C ATOM 1105 CG1 VAL A 74 6.766 8.693 5.502 1.00 0.00 C ATOM 1106 CG2 VAL A 74 5.368 9.746 3.768 1.00 0.00 C ATOM 0 H VAL A 74 3.644 8.186 5.018 1.00 0.00 H new ATOM 0 HA VAL A 74 4.945 9.526 7.226 1.00 0.00 H new ATOM 0 HB VAL A 74 6.129 10.783 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.594 8.810 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.139 8.768 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.303 7.717 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.274 9.843 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.883 8.797 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.689 10.566 3.534 1.00 0.00 H new ATOM 1116 N MET A 75 2.670 11.046 5.356 1.00 0.00 N ATOM 1117 CA MET A 75 1.818 12.249 5.232 1.00 0.00 C ATOM 1118 C MET A 75 0.649 12.315 6.247 1.00 0.00 C ATOM 1119 O MET A 75 -0.313 13.057 6.033 1.00 0.00 O ATOM 1120 CB MET A 75 1.354 12.465 3.775 1.00 0.00 C ATOM 1121 CG MET A 75 0.409 11.387 3.226 1.00 0.00 C ATOM 1122 SD MET A 75 -0.896 11.939 2.094 1.00 0.00 S ATOM 1123 CE MET A 75 -2.192 12.345 3.297 1.00 0.00 C ATOM 0 H MET A 75 2.391 10.285 4.737 1.00 0.00 H new ATOM 0 HA MET A 75 2.456 13.089 5.505 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.855 13.432 3.709 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.234 12.516 3.134 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.011 10.639 2.711 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.064 10.888 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.083 12.687 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.435 11.459 3.883 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.838 13.133 3.961 1.00 0.00 H new ATOM 1131 N LYS A 76 0.719 11.554 7.351 1.00 0.00 N ATOM 1132 CA LYS A 76 -0.289 11.501 8.429 1.00 0.00 C ATOM 1133 C LYS A 76 0.344 11.609 9.825 1.00 0.00 C ATOM 1134 O LYS A 76 1.191 10.762 10.184 1.00 0.00 O ATOM 1135 CB LYS A 76 -1.159 10.234 8.300 1.00 0.00 C ATOM 1136 CG LYS A 76 -2.145 10.300 7.114 1.00 0.00 C ATOM 1137 CD LYS A 76 -3.507 9.651 7.431 1.00 0.00 C ATOM 1138 CE LYS A 76 -4.603 10.713 7.623 1.00 0.00 C ATOM 1139 NZ LYS A 76 -4.352 11.609 8.786 1.00 0.00 N ATOM 1140 OXT LYS A 76 -0.018 12.562 10.552 1.00 0.00 O ATOM 0 H LYS A 76 1.509 10.933 7.527 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.935 12.372 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.511 9.366 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.719 10.088 9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.301 11.342 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.702 9.802 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.788 8.978 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.422 9.046 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.679 11.315 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.563 10.215 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.124 12.302 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.307 11.043 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.450 12.109 8.651 1.00 0.00 H new TER 1150 LYS A 76