USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 109:sc= 0.297 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.151 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 172:sc=-0.00923 (180deg=0) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.437 (180deg=-1.87!) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0309 (180deg=-0.313) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 136:sc= 0.329 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 0.12 (180deg=-0.0745) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -1.59 (180deg=-2.27) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.75 K(o=-0.75,f=-1.4) USER MOD Single : A 36 THR OG1 : rot -96:sc= 0.824 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00627) USER MOD Single : A 44 TYR OH : rot -159:sc= 0.419 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-2.6!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 60 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.49) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 69:sc= 0.03 USER MOD Single : A 70 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.068!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000416) USER MOD Single : A 74 GLN : amide:sc= -1 K(o=-1,f=-4.3!) USER MOD Single : A 76 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.088 -6.910 13.959 1.00 0.00 N ATOM 2 CA MET A 1 -0.051 -6.038 13.345 1.00 0.00 C ATOM 3 C MET A 1 0.943 -6.856 12.525 1.00 0.00 C ATOM 4 O MET A 1 1.176 -8.031 12.807 1.00 0.00 O ATOM 5 CB MET A 1 0.676 -5.287 14.461 1.00 0.00 C ATOM 6 CG MET A 1 -0.180 -4.231 15.140 1.00 0.00 C ATOM 7 SD MET A 1 0.224 -4.027 16.886 1.00 0.00 S ATOM 8 CE MET A 1 0.001 -5.701 17.484 1.00 0.00 C ATOM 0 H1 MET A 1 -1.937 -6.346 14.167 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.334 -7.675 13.299 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.719 -7.320 14.841 1.00 0.00 H new ATOM 0 HA MET A 1 -0.532 -5.332 12.668 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.016 -6.004 15.209 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.566 -4.811 14.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.050 -3.278 14.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.231 -4.504 15.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.279 -5.677 18.537 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.786 -6.190 16.911 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.932 -6.256 17.368 1.00 0.00 H new ATOM 20 N LEU A 2 1.526 -6.225 11.512 1.00 0.00 N ATOM 21 CA LEU A 2 2.495 -6.893 10.651 1.00 0.00 C ATOM 22 C LEU A 2 3.701 -5.995 10.396 1.00 0.00 C ATOM 23 O LEU A 2 3.576 -4.772 10.337 1.00 0.00 O ATOM 24 CB LEU A 2 1.845 -7.284 9.322 1.00 0.00 C ATOM 25 CG LEU A 2 0.439 -7.879 9.437 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.398 -7.504 8.224 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.513 -9.391 9.590 1.00 0.00 C ATOM 0 H LEU A 2 1.345 -5.252 11.267 1.00 0.00 H new ATOM 0 HA LEU A 2 2.835 -7.795 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.798 -6.401 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.488 -8.006 8.819 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.040 -7.467 10.325 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.394 -7.935 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.477 -6.419 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.077 -7.889 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.495 -9.798 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.010 -9.821 8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.077 -9.639 10.489 1.00 0.00 H new ATOM 39 N THR A 3 4.870 -6.610 10.244 1.00 0.00 N ATOM 40 CA THR A 3 6.098 -5.865 9.994 1.00 0.00 C ATOM 41 C THR A 3 5.990 -5.059 8.705 1.00 0.00 C ATOM 42 O THR A 3 4.940 -5.037 8.061 1.00 0.00 O ATOM 43 CB THR A 3 7.295 -6.817 9.913 1.00 0.00 C ATOM 44 OG1 THR A 3 6.953 -8.097 10.416 1.00 0.00 O ATOM 45 CG2 THR A 3 8.501 -6.329 10.687 1.00 0.00 C ATOM 0 H THR A 3 4.992 -7.622 10.290 1.00 0.00 H new ATOM 0 HA THR A 3 6.248 -5.175 10.825 1.00 0.00 H new ATOM 0 HB THR A 3 7.555 -6.864 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.907 -8.738 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.313 -7.050 10.588 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.821 -5.365 10.292 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.239 -6.221 11.739 1.00 0.00 H new ATOM 53 N ILE A 4 7.078 -4.394 8.334 1.00 0.00 N ATOM 54 CA ILE A 4 7.104 -3.586 7.122 1.00 0.00 C ATOM 55 C ILE A 4 8.298 -3.947 6.245 1.00 0.00 C ATOM 56 O ILE A 4 9.449 -3.724 6.621 1.00 0.00 O ATOM 57 CB ILE A 4 7.160 -2.085 7.456 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.051 -1.716 8.444 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.042 -1.257 6.186 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.437 -1.926 9.892 1.00 0.00 C ATOM 0 H ILE A 4 7.954 -4.399 8.856 1.00 0.00 H new ATOM 0 HA ILE A 4 6.183 -3.797 6.578 1.00 0.00 H new ATOM 0 HB ILE A 4 8.121 -1.867 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.778 -0.671 8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.165 -2.311 8.222 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.083 -0.197 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.864 -1.503 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.094 -1.477 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.603 -1.644 10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.682 -2.976 10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.304 -1.310 10.131 1.00 0.00 H new ATOM 72 N GLU A 5 8.016 -4.503 5.072 1.00 0.00 N ATOM 73 CA GLU A 5 9.065 -4.892 4.137 1.00 0.00 C ATOM 74 C GLU A 5 8.997 -4.049 2.866 1.00 0.00 C ATOM 75 O GLU A 5 8.003 -3.366 2.618 1.00 0.00 O ATOM 76 CB GLU A 5 8.945 -6.378 3.789 1.00 0.00 C ATOM 77 CG GLU A 5 9.903 -7.264 4.567 1.00 0.00 C ATOM 78 CD GLU A 5 11.314 -7.225 4.014 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.472 -6.947 2.807 1.00 0.00 O ATOM 80 OE2 GLU A 5 12.262 -7.475 4.788 1.00 0.00 O ATOM 0 H GLU A 5 7.069 -4.695 4.746 1.00 0.00 H new ATOM 0 HA GLU A 5 10.029 -4.718 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.923 -6.706 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.127 -6.509 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.917 -6.949 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.538 -8.291 4.549 1.00 0.00 H new ATOM 87 N THR A 6 10.057 -4.099 2.069 1.00 0.00 N ATOM 88 CA THR A 6 10.113 -3.336 0.826 1.00 0.00 C ATOM 89 C THR A 6 10.588 -4.209 -0.331 1.00 0.00 C ATOM 90 O THR A 6 11.167 -5.274 -0.122 1.00 0.00 O ATOM 91 CB THR A 6 11.039 -2.131 0.985 1.00 0.00 C ATOM 92 OG1 THR A 6 12.375 -2.551 1.204 1.00 0.00 O ATOM 93 CG2 THR A 6 10.650 -1.222 2.130 1.00 0.00 C ATOM 0 H THR A 6 10.888 -4.658 2.260 1.00 0.00 H new ATOM 0 HA THR A 6 9.106 -2.985 0.600 1.00 0.00 H new ATOM 0 HB THR A 6 10.947 -1.572 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.953 -1.766 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.349 -0.388 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.642 -0.841 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.678 -1.782 3.065 1.00 0.00 H new ATOM 101 N SER A 7 10.339 -3.747 -1.552 1.00 0.00 N ATOM 102 CA SER A 7 10.739 -4.484 -2.747 1.00 0.00 C ATOM 103 C SER A 7 11.722 -3.672 -3.584 1.00 0.00 C ATOM 104 O SER A 7 12.128 -2.576 -3.194 1.00 0.00 O ATOM 105 CB SER A 7 9.510 -4.840 -3.584 1.00 0.00 C ATOM 106 OG SER A 7 8.495 -3.862 -3.444 1.00 0.00 O ATOM 0 H SER A 7 9.862 -2.865 -1.741 1.00 0.00 H new ATOM 0 HA SER A 7 11.234 -5.402 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.794 -4.926 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.126 -5.813 -3.276 1.00 0.00 H new ATOM 0 HG SER A 7 8.117 -3.655 -4.324 1.00 0.00 H new ATOM 112 N LYS A 8 12.100 -4.217 -4.735 1.00 0.00 N ATOM 113 CA LYS A 8 13.036 -3.543 -5.628 1.00 0.00 C ATOM 114 C LYS A 8 12.356 -2.388 -6.356 1.00 0.00 C ATOM 115 O LYS A 8 12.891 -1.281 -6.421 1.00 0.00 O ATOM 116 CB LYS A 8 13.607 -4.535 -6.644 1.00 0.00 C ATOM 117 CG LYS A 8 14.616 -5.504 -6.047 1.00 0.00 C ATOM 118 CD LYS A 8 15.859 -5.622 -6.914 1.00 0.00 C ATOM 119 CE LYS A 8 16.710 -4.365 -6.846 1.00 0.00 C ATOM 120 NZ LYS A 8 17.361 -4.062 -8.151 1.00 0.00 N ATOM 0 H LYS A 8 11.773 -5.123 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 8 13.850 -3.141 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.788 -5.103 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.083 -3.981 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.898 -5.168 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.156 -6.486 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.449 -6.479 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.566 -5.808 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.088 -3.522 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.475 -4.486 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.932 -3.197 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.975 -4.855 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.631 -3.921 -8.879 1.00 0.00 H new ATOM 134 N LYS A 9 11.173 -2.654 -6.904 1.00 0.00 N ATOM 135 CA LYS A 9 10.421 -1.636 -7.627 1.00 0.00 C ATOM 136 C LYS A 9 9.939 -0.542 -6.680 1.00 0.00 C ATOM 137 O LYS A 9 9.871 0.630 -7.052 1.00 0.00 O ATOM 138 CB LYS A 9 9.228 -2.269 -8.344 1.00 0.00 C ATOM 139 CG LYS A 9 9.607 -3.427 -9.252 1.00 0.00 C ATOM 140 CD LYS A 9 8.379 -4.166 -9.756 1.00 0.00 C ATOM 141 CE LYS A 9 8.697 -5.616 -10.085 1.00 0.00 C ATOM 142 NZ LYS A 9 7.991 -6.074 -11.313 1.00 0.00 N ATOM 0 H LYS A 9 10.716 -3.565 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 9 11.083 -1.185 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.513 -2.621 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.723 -1.505 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.181 -3.053 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.252 -4.119 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.594 -4.127 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.992 -3.667 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.772 -5.730 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.413 -6.250 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.234 -7.067 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.964 -5.989 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.281 -5.486 -12.120 1.00 0.00 H new ATOM 156 N PHE A 10 9.606 -0.932 -5.454 1.00 0.00 N ATOM 157 CA PHE A 10 9.130 0.016 -4.454 1.00 0.00 C ATOM 158 C PHE A 10 10.209 1.041 -4.119 1.00 0.00 C ATOM 159 O PHE A 10 9.909 2.188 -3.792 1.00 0.00 O ATOM 160 CB PHE A 10 8.702 -0.725 -3.185 1.00 0.00 C ATOM 161 CG PHE A 10 8.164 0.180 -2.113 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.000 0.902 -2.318 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.823 0.308 -0.901 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.502 1.735 -1.334 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.331 1.139 0.087 1.00 0.00 C ATOM 166 CZ PHE A 10 7.169 1.855 -0.130 1.00 0.00 C ATOM 0 H PHE A 10 9.657 -1.898 -5.129 1.00 0.00 H new ATOM 0 HA PHE A 10 8.270 0.543 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.941 -1.461 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.556 -1.275 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.475 0.813 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.732 -0.248 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.593 2.291 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.854 1.229 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.783 2.507 0.640 1.00 0.00 H new ATOM 176 N ASP A 11 11.467 0.618 -4.204 1.00 0.00 N ATOM 177 CA ASP A 11 12.591 1.499 -3.910 1.00 0.00 C ATOM 178 C ASP A 11 12.730 2.579 -4.978 1.00 0.00 C ATOM 179 O ASP A 11 12.774 3.770 -4.670 1.00 0.00 O ATOM 180 CB ASP A 11 13.886 0.691 -3.814 1.00 0.00 C ATOM 181 CG ASP A 11 14.845 1.255 -2.784 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.963 2.495 -2.699 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.478 0.456 -2.062 1.00 0.00 O ATOM 0 H ASP A 11 11.733 -0.329 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 11 12.400 1.983 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.648 -0.342 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.373 0.674 -4.789 1.00 0.00 H new ATOM 188 N LYS A 12 12.801 2.155 -6.236 1.00 0.00 N ATOM 189 CA LYS A 12 12.937 3.087 -7.352 1.00 0.00 C ATOM 190 C LYS A 12 11.632 3.842 -7.608 1.00 0.00 C ATOM 191 O LYS A 12 11.615 4.832 -8.338 1.00 0.00 O ATOM 192 CB LYS A 12 13.363 2.340 -8.616 1.00 0.00 C ATOM 193 CG LYS A 12 12.427 1.204 -8.996 1.00 0.00 C ATOM 194 CD LYS A 12 13.195 -0.052 -9.381 1.00 0.00 C ATOM 195 CE LYS A 12 12.762 -0.578 -10.740 1.00 0.00 C ATOM 196 NZ LYS A 12 13.655 -0.100 -11.831 1.00 0.00 N ATOM 0 H LYS A 12 12.767 1.173 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 12 13.704 3.815 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.418 3.046 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.366 1.940 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.764 0.983 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.796 1.515 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.263 0.165 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.037 -0.822 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.760 -1.668 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.739 -0.261 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.326 -0.481 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.637 0.939 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.627 -0.424 -11.651 1.00 0.00 H new ATOM 210 N ASP A 13 10.543 3.370 -7.008 1.00 0.00 N ATOM 211 CA ASP A 13 9.242 4.007 -7.179 1.00 0.00 C ATOM 212 C ASP A 13 9.092 5.204 -6.244 1.00 0.00 C ATOM 213 O ASP A 13 8.380 6.159 -6.553 1.00 0.00 O ATOM 214 CB ASP A 13 8.119 3.000 -6.920 1.00 0.00 C ATOM 215 CG ASP A 13 7.599 2.374 -8.198 1.00 0.00 C ATOM 216 OD1 ASP A 13 8.427 1.935 -9.025 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.363 2.321 -8.374 1.00 0.00 O ATOM 0 H ASP A 13 10.536 2.551 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 13 9.174 4.362 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.484 2.216 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.299 3.499 -6.403 1.00 0.00 H new ATOM 222 N LEU A 14 9.765 5.144 -5.100 1.00 0.00 N ATOM 223 CA LEU A 14 9.702 6.223 -4.119 1.00 0.00 C ATOM 224 C LEU A 14 10.498 7.437 -4.590 1.00 0.00 C ATOM 225 O LEU A 14 10.151 8.577 -4.277 1.00 0.00 O ATOM 226 CB LEU A 14 10.231 5.739 -2.766 1.00 0.00 C ATOM 227 CG LEU A 14 9.255 5.892 -1.597 1.00 0.00 C ATOM 228 CD1 LEU A 14 8.326 4.691 -1.518 1.00 0.00 C ATOM 229 CD2 LEU A 14 10.012 6.071 -0.291 1.00 0.00 C ATOM 0 H LEU A 14 10.360 4.361 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 14 8.659 6.521 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.505 4.688 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.143 6.288 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 14 8.650 6.783 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.639 4.817 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.758 4.609 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.914 3.785 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.302 6.178 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.643 5.200 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.635 6.964 -0.351 1.00 0.00 H new ATOM 241 N LYS A 15 11.567 7.187 -5.340 1.00 0.00 N ATOM 242 CA LYS A 15 12.409 8.262 -5.851 1.00 0.00 C ATOM 243 C LYS A 15 11.625 9.172 -6.794 1.00 0.00 C ATOM 244 O LYS A 15 11.950 10.350 -6.945 1.00 0.00 O ATOM 245 CB LYS A 15 13.629 7.686 -6.572 1.00 0.00 C ATOM 246 CG LYS A 15 13.286 6.937 -7.852 1.00 0.00 C ATOM 247 CD LYS A 15 14.005 7.522 -9.061 1.00 0.00 C ATOM 248 CE LYS A 15 14.762 6.452 -9.831 1.00 0.00 C ATOM 249 NZ LYS A 15 13.843 5.545 -10.574 1.00 0.00 N ATOM 0 H LYS A 15 11.870 6.250 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 15 12.746 8.857 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.316 8.498 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.154 7.011 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.556 5.887 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.209 6.974 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.281 8.002 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.699 8.296 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.448 6.927 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.368 5.867 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.373 4.718 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.080 5.230 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.434 6.053 -11.384 1.00 0.00 H new ATOM 263 N ILE A 16 10.592 8.622 -7.423 1.00 0.00 N ATOM 264 CA ILE A 16 9.766 9.385 -8.349 1.00 0.00 C ATOM 265 C ILE A 16 8.728 10.217 -7.605 1.00 0.00 C ATOM 266 O ILE A 16 8.319 11.281 -8.073 1.00 0.00 O ATOM 267 CB ILE A 16 9.045 8.464 -9.352 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.043 7.505 -10.006 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.323 9.288 -10.409 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.072 8.198 -10.870 1.00 0.00 C ATOM 0 H ILE A 16 10.307 7.649 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 16 10.437 10.049 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 16 8.304 7.875 -8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.556 6.941 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.496 6.784 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.819 8.621 -11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.587 9.932 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.045 9.901 -10.948 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.745 7.456 -11.300 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.569 8.740 -11.671 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.645 8.898 -10.262 1.00 0.00 H new ATOM 282 N LEU A 17 8.301 9.726 -6.446 1.00 0.00 N ATOM 283 CA LEU A 17 7.306 10.426 -5.640 1.00 0.00 C ATOM 284 C LEU A 17 7.961 11.482 -4.755 1.00 0.00 C ATOM 285 O LEU A 17 7.396 12.553 -4.532 1.00 0.00 O ATOM 286 CB LEU A 17 6.527 9.431 -4.776 1.00 0.00 C ATOM 287 CG LEU A 17 5.271 8.847 -5.428 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.365 9.958 -5.936 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.649 7.903 -6.560 1.00 0.00 C ATOM 0 H LEU A 17 8.628 8.847 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 17 6.616 10.927 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.192 8.611 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.239 9.927 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 17 4.725 8.279 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.478 9.522 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.067 10.594 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.900 10.555 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.744 7.497 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.218 8.448 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.255 7.087 -6.166 1.00 0.00 H new ATOM 301 N VAL A 18 9.153 11.176 -4.255 1.00 0.00 N ATOM 302 CA VAL A 18 9.880 12.103 -3.396 1.00 0.00 C ATOM 303 C VAL A 18 10.247 13.378 -4.149 1.00 0.00 C ATOM 304 O VAL A 18 10.277 14.465 -3.572 1.00 0.00 O ATOM 305 CB VAL A 18 11.162 11.461 -2.829 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.115 11.084 -3.953 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.838 12.397 -1.838 1.00 0.00 C ATOM 0 H VAL A 18 9.636 10.295 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 18 9.216 12.354 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 18 10.884 10.550 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.013 10.633 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.628 10.371 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.387 11.978 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.741 11.925 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.102 13.328 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.156 12.609 -1.014 1.00 0.00 H new ATOM 317 N LYS A 19 10.523 13.238 -5.441 1.00 0.00 N ATOM 318 CA LYS A 19 10.887 14.379 -6.274 1.00 0.00 C ATOM 319 C LYS A 19 9.681 15.278 -6.521 1.00 0.00 C ATOM 320 O LYS A 19 9.806 16.502 -6.575 1.00 0.00 O ATOM 321 CB LYS A 19 11.463 13.900 -7.608 1.00 0.00 C ATOM 322 CG LYS A 19 12.460 14.870 -8.221 1.00 0.00 C ATOM 323 CD LYS A 19 13.748 14.931 -7.416 1.00 0.00 C ATOM 324 CE LYS A 19 14.315 16.341 -7.375 1.00 0.00 C ATOM 325 NZ LYS A 19 15.694 16.368 -6.816 1.00 0.00 N ATOM 0 H LYS A 19 10.502 12.346 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 19 11.646 14.956 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.950 12.936 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.646 13.739 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.683 14.566 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.016 15.864 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.560 14.584 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.483 14.255 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.323 16.759 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.666 16.976 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.045 17.347 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.683 15.993 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.319 15.783 -7.406 1.00 0.00 H new ATOM 339 N ASN A 20 8.511 14.663 -6.668 1.00 0.00 N ATOM 340 CA ASN A 20 7.281 15.409 -6.908 1.00 0.00 C ATOM 341 C ASN A 20 6.629 15.826 -5.591 1.00 0.00 C ATOM 342 O ASN A 20 5.870 16.796 -5.544 1.00 0.00 O ATOM 343 CB ASN A 20 6.306 14.567 -7.735 1.00 0.00 C ATOM 344 CG ASN A 20 6.220 15.030 -9.175 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.669 16.092 -9.467 1.00 0.00 O ATOM 346 ND2 ASN A 20 6.768 14.235 -10.087 1.00 0.00 N ATOM 0 H ASN A 20 8.389 13.651 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 20 7.533 16.311 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.620 13.523 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.316 14.613 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.742 14.496 -11.073 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.215 13.364 -9.802 1.00 0.00 H new ATOM 353 N GLY A 21 6.926 15.088 -4.526 1.00 0.00 N ATOM 354 CA GLY A 21 6.358 15.398 -3.226 1.00 0.00 C ATOM 355 C GLY A 21 5.923 14.154 -2.475 1.00 0.00 C ATOM 356 O GLY A 21 4.813 13.661 -2.669 1.00 0.00 O ATOM 0 H GLY A 21 7.550 14.281 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.093 15.940 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.501 16.060 -3.355 1.00 0.00 H new ATOM 360 N PHE A 22 6.803 13.645 -1.618 1.00 0.00 N ATOM 361 CA PHE A 22 6.503 12.450 -0.838 1.00 0.00 C ATOM 362 C PHE A 22 7.530 12.250 0.272 1.00 0.00 C ATOM 363 O PHE A 22 8.734 12.205 0.017 1.00 0.00 O ATOM 364 CB PHE A 22 6.473 11.221 -1.749 1.00 0.00 C ATOM 365 CG PHE A 22 5.990 9.974 -1.063 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.688 9.885 -0.594 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.836 8.891 -0.891 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.241 8.737 0.034 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.395 7.741 -0.264 1.00 0.00 C ATOM 370 CZ PHE A 22 5.095 7.664 0.199 1.00 0.00 C ATOM 0 H PHE A 22 7.727 14.041 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 22 5.523 12.581 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.829 11.428 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.475 11.045 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.016 10.721 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.853 8.946 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.225 8.679 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.065 6.904 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.748 6.766 0.689 1.00 0.00 H new ATOM 380 N ASP A 23 7.047 12.129 1.504 1.00 0.00 N ATOM 381 CA ASP A 23 7.924 11.934 2.653 1.00 0.00 C ATOM 382 C ASP A 23 8.063 10.449 2.980 1.00 0.00 C ATOM 383 O ASP A 23 7.531 9.594 2.271 1.00 0.00 O ATOM 384 CB ASP A 23 7.384 12.691 3.869 1.00 0.00 C ATOM 385 CG ASP A 23 8.243 13.886 4.233 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.355 13.678 4.763 1.00 0.00 O ATOM 387 OD2 ASP A 23 7.804 15.029 3.989 1.00 0.00 O ATOM 0 H ASP A 23 6.053 12.162 1.733 1.00 0.00 H new ATOM 0 HA ASP A 23 8.909 12.327 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.368 13.027 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.329 12.013 4.721 1.00 0.00 H new ATOM 392 N LEU A 24 8.783 10.151 4.058 1.00 0.00 N ATOM 393 CA LEU A 24 8.992 8.769 4.476 1.00 0.00 C ATOM 394 C LEU A 24 8.267 8.480 5.787 1.00 0.00 C ATOM 395 O LEU A 24 7.810 7.361 6.022 1.00 0.00 O ATOM 396 CB LEU A 24 10.488 8.484 4.635 1.00 0.00 C ATOM 397 CG LEU A 24 11.275 8.417 3.326 1.00 0.00 C ATOM 398 CD1 LEU A 24 10.696 7.351 2.410 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.278 9.773 2.637 1.00 0.00 C ATOM 0 H LEU A 24 9.230 10.846 4.656 1.00 0.00 H new ATOM 0 HA LEU A 24 8.583 8.117 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.925 9.258 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.608 7.538 5.163 1.00 0.00 H new ATOM 0 HG LEU A 24 12.306 8.147 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.269 7.318 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.747 6.380 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.656 7.590 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.843 9.707 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.253 10.073 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.741 10.512 3.291 1.00 0.00 H new ATOM 411 N LYS A 25 8.165 9.496 6.639 1.00 0.00 N ATOM 412 CA LYS A 25 7.495 9.349 7.926 1.00 0.00 C ATOM 413 C LYS A 25 6.040 8.929 7.739 1.00 0.00 C ATOM 414 O LYS A 25 5.467 8.248 8.590 1.00 0.00 O ATOM 415 CB LYS A 25 7.562 10.660 8.711 1.00 0.00 C ATOM 416 CG LYS A 25 6.869 11.823 8.017 1.00 0.00 C ATOM 417 CD LYS A 25 7.864 12.881 7.570 1.00 0.00 C ATOM 418 CE LYS A 25 8.267 13.787 8.723 1.00 0.00 C ATOM 419 NZ LYS A 25 9.015 13.045 9.775 1.00 0.00 N ATOM 0 H LYS A 25 8.537 10.429 6.461 1.00 0.00 H new ATOM 0 HA LYS A 25 8.009 8.569 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.108 10.510 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.607 10.919 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.316 11.455 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.141 12.270 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.750 12.398 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.426 13.479 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.884 14.603 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.376 14.237 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.487 13.722 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.353 12.461 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.728 12.433 9.328 1.00 0.00 H new ATOM 433 N LEU A 26 5.448 9.340 6.623 1.00 0.00 N ATOM 434 CA LEU A 26 4.060 9.004 6.326 1.00 0.00 C ATOM 435 C LEU A 26 3.924 7.535 5.941 1.00 0.00 C ATOM 436 O LEU A 26 2.897 6.907 6.199 1.00 0.00 O ATOM 437 CB LEU A 26 3.529 9.892 5.199 1.00 0.00 C ATOM 438 CG LEU A 26 4.223 9.708 3.848 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.528 8.629 3.033 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.253 11.023 3.083 1.00 0.00 C ATOM 0 H LEU A 26 5.907 9.906 5.909 1.00 0.00 H new ATOM 0 HA LEU A 26 3.470 9.179 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.464 9.695 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.627 10.935 5.502 1.00 0.00 H new ATOM 0 HG LEU A 26 5.250 9.391 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.036 8.512 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.559 7.685 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.490 8.915 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.750 10.875 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.233 11.369 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.797 11.769 3.662 1.00 0.00 H new ATOM 452 N LEU A 27 4.967 6.992 5.321 1.00 0.00 N ATOM 453 CA LEU A 27 4.963 5.596 4.901 1.00 0.00 C ATOM 454 C LEU A 27 5.095 4.663 6.101 1.00 0.00 C ATOM 455 O LEU A 27 4.645 3.519 6.062 1.00 0.00 O ATOM 456 CB LEU A 27 6.101 5.336 3.910 1.00 0.00 C ATOM 457 CG LEU A 27 5.769 4.348 2.789 1.00 0.00 C ATOM 458 CD1 LEU A 27 6.365 4.816 1.470 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.274 2.956 3.139 1.00 0.00 C ATOM 0 H LEU A 27 5.825 7.497 5.099 1.00 0.00 H new ATOM 0 HA LEU A 27 4.010 5.394 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.396 6.285 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.964 4.961 4.461 1.00 0.00 H new ATOM 0 HG LEU A 27 4.685 4.304 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.118 4.101 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.956 5.793 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.448 4.890 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.029 2.266 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.355 2.985 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.800 2.618 4.060 1.00 0.00 H new ATOM 471 N TYR A 28 5.714 5.160 7.168 1.00 0.00 N ATOM 472 CA TYR A 28 5.902 4.370 8.379 1.00 0.00 C ATOM 473 C TYR A 28 4.685 4.477 9.293 1.00 0.00 C ATOM 474 O TYR A 28 4.378 3.552 10.044 1.00 0.00 O ATOM 475 CB TYR A 28 7.157 4.832 9.124 1.00 0.00 C ATOM 476 CG TYR A 28 8.405 4.071 8.737 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.506 2.704 8.958 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.483 4.722 8.149 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.646 2.006 8.605 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.625 4.032 7.794 1.00 0.00 C ATOM 481 CZ TYR A 28 10.702 2.674 8.024 1.00 0.00 C ATOM 482 OH TYR A 28 11.838 1.983 7.670 1.00 0.00 O ATOM 0 H TYR A 28 6.093 6.105 7.218 1.00 0.00 H new ATOM 0 HA TYR A 28 6.024 3.327 8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.314 5.893 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.993 4.724 10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.680 2.177 9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.426 5.785 7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.709 0.943 8.784 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.454 4.553 7.338 1.00 0.00 H new ATOM 0 HH TYR A 28 12.486 2.601 7.272 1.00 0.00 H new ATOM 492 N LYS A 29 3.994 5.611 9.224 1.00 0.00 N ATOM 493 CA LYS A 29 2.812 5.837 10.045 1.00 0.00 C ATOM 494 C LYS A 29 1.561 5.299 9.360 1.00 0.00 C ATOM 495 O LYS A 29 0.626 4.844 10.018 1.00 0.00 O ATOM 496 CB LYS A 29 2.646 7.330 10.339 1.00 0.00 C ATOM 497 CG LYS A 29 2.096 7.619 11.726 1.00 0.00 C ATOM 498 CD LYS A 29 1.621 9.059 11.848 1.00 0.00 C ATOM 499 CE LYS A 29 0.210 9.228 11.309 1.00 0.00 C ATOM 500 NZ LYS A 29 -0.804 9.231 12.399 1.00 0.00 N ATOM 0 H LYS A 29 4.233 6.387 8.607 1.00 0.00 H new ATOM 0 HA LYS A 29 2.947 5.302 10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.612 7.823 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.980 7.767 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.268 6.942 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.867 7.424 12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.651 9.366 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.301 9.715 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.144 10.161 10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.011 8.421 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.753 9.348 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.759 8.330 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.609 10.016 13.052 1.00 0.00 H new ATOM 514 N VAL A 30 1.548 5.357 8.031 1.00 0.00 N ATOM 515 CA VAL A 30 0.410 4.876 7.256 1.00 0.00 C ATOM 516 C VAL A 30 0.188 3.379 7.468 1.00 0.00 C ATOM 517 O VAL A 30 -0.894 2.860 7.190 1.00 0.00 O ATOM 518 CB VAL A 30 0.600 5.151 5.751 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.808 4.397 5.213 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.656 4.781 4.977 1.00 0.00 C ATOM 0 H VAL A 30 2.312 5.732 7.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.466 5.420 7.609 1.00 0.00 H new ATOM 0 HB VAL A 30 0.781 6.218 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.923 4.606 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.704 4.718 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.663 3.327 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.503 4.982 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.871 3.722 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.495 5.374 5.341 1.00 0.00 H new ATOM 530 N VAL A 31 1.214 2.690 7.964 1.00 0.00 N ATOM 531 CA VAL A 31 1.126 1.254 8.212 1.00 0.00 C ATOM 532 C VAL A 31 -0.114 0.909 9.033 1.00 0.00 C ATOM 533 O VAL A 31 -0.816 -0.058 8.737 1.00 0.00 O ATOM 534 CB VAL A 31 2.380 0.734 8.945 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.521 1.399 10.306 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.330 -0.779 9.085 1.00 0.00 C ATOM 0 H VAL A 31 2.115 3.104 8.202 1.00 0.00 H new ATOM 0 HA VAL A 31 1.056 0.768 7.239 1.00 0.00 H new ATOM 0 HB VAL A 31 3.256 0.991 8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.411 1.018 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.611 2.478 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.642 1.178 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.223 -1.126 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.445 -1.063 9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.286 -1.235 8.096 1.00 0.00 H new ATOM 546 N GLY A 32 -0.378 1.707 10.063 1.00 0.00 N ATOM 547 CA GLY A 32 -1.534 1.468 10.907 1.00 0.00 C ATOM 548 C GLY A 32 -2.834 1.504 10.128 1.00 0.00 C ATOM 549 O GLY A 32 -3.810 0.854 10.503 1.00 0.00 O ATOM 0 H GLY A 32 0.187 2.514 10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.431 0.498 11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.566 2.219 11.697 1.00 0.00 H new ATOM 553 N ASN A 33 -2.848 2.267 9.039 1.00 0.00 N ATOM 554 CA ASN A 33 -4.036 2.388 8.203 1.00 0.00 C ATOM 555 C ASN A 33 -4.045 1.324 7.107 1.00 0.00 C ATOM 556 O ASN A 33 -5.101 0.961 6.590 1.00 0.00 O ATOM 557 CB ASN A 33 -4.106 3.781 7.576 1.00 0.00 C ATOM 558 CG ASN A 33 -4.845 4.772 8.453 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.108 4.505 9.627 1.00 0.00 O ATOM 560 ND2 ASN A 33 -5.186 5.924 7.889 1.00 0.00 N ATOM 0 H ASN A 33 -2.048 2.811 8.715 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.910 2.238 8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.095 4.145 7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.602 3.716 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.686 6.629 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.948 6.104 6.914 1.00 0.00 H new ATOM 567 N LEU A 34 -2.861 0.831 6.754 1.00 0.00 N ATOM 568 CA LEU A 34 -2.738 -0.189 5.718 1.00 0.00 C ATOM 569 C LEU A 34 -3.241 -1.540 6.220 1.00 0.00 C ATOM 570 O LEU A 34 -3.800 -2.327 5.457 1.00 0.00 O ATOM 571 CB LEU A 34 -1.282 -0.311 5.265 1.00 0.00 C ATOM 572 CG LEU A 34 -0.717 0.923 4.558 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.705 0.665 4.087 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.604 1.319 3.389 1.00 0.00 C ATOM 0 H LEU A 34 -1.975 1.121 7.169 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.352 0.114 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.663 -0.527 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.197 -1.166 4.594 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.697 1.748 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.089 1.554 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.335 0.430 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.711 -0.174 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.187 2.198 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.656 0.496 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.606 1.547 3.753 1.00 0.00 H new ATOM 586 N ALA A 35 -3.035 -1.801 7.507 1.00 0.00 N ATOM 587 CA ALA A 35 -3.467 -3.056 8.109 1.00 0.00 C ATOM 588 C ALA A 35 -4.956 -3.029 8.433 1.00 0.00 C ATOM 589 O ALA A 35 -5.659 -4.026 8.257 1.00 0.00 O ATOM 590 CB ALA A 35 -2.657 -3.343 9.365 1.00 0.00 C ATOM 0 H ALA A 35 -2.572 -1.161 8.152 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.296 -3.854 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.989 -4.283 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.600 -3.416 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.800 -2.535 10.083 1.00 0.00 H new ATOM 596 N THR A 36 -5.434 -1.884 8.906 1.00 0.00 N ATOM 597 CA THR A 36 -6.841 -1.728 9.255 1.00 0.00 C ATOM 598 C THR A 36 -7.672 -1.385 8.023 1.00 0.00 C ATOM 599 O THR A 36 -8.793 -1.867 7.865 1.00 0.00 O ATOM 600 CB THR A 36 -7.006 -0.639 10.316 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.549 0.610 9.830 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.256 -0.935 11.598 1.00 0.00 C ATOM 0 H THR A 36 -4.867 -1.049 9.057 1.00 0.00 H new ATOM 0 HA THR A 36 -7.198 -2.676 9.659 1.00 0.00 H new ATOM 0 HB THR A 36 -8.073 -0.610 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.624 0.756 10.120 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.415 -0.124 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.621 -1.869 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.191 -1.026 11.384 1.00 0.00 H new ATOM 610 N GLU A 37 -7.114 -0.549 7.154 1.00 0.00 N ATOM 611 CA GLU A 37 -7.804 -0.140 5.935 1.00 0.00 C ATOM 612 C GLU A 37 -9.119 0.559 6.262 1.00 0.00 C ATOM 613 O GLU A 37 -10.200 0.047 5.967 1.00 0.00 O ATOM 614 CB GLU A 37 -8.064 -1.355 5.040 1.00 0.00 C ATOM 615 CG GLU A 37 -6.807 -2.140 4.697 1.00 0.00 C ATOM 616 CD GLU A 37 -7.057 -3.634 4.613 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.092 -4.029 4.037 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.218 -4.406 5.122 1.00 0.00 O ATOM 0 H GLU A 37 -6.186 -0.141 7.271 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.164 0.564 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.771 -2.018 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.537 -1.021 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.412 -1.787 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.044 -1.945 5.451 1.00 0.00 H new ATOM 625 N GLN A 38 -9.020 1.733 6.878 1.00 0.00 N ATOM 626 CA GLN A 38 -10.205 2.503 7.248 1.00 0.00 C ATOM 627 C GLN A 38 -10.552 3.532 6.173 1.00 0.00 C ATOM 628 O GLN A 38 -11.686 3.580 5.695 1.00 0.00 O ATOM 629 CB GLN A 38 -10.002 3.205 8.599 1.00 0.00 C ATOM 630 CG GLN A 38 -8.834 2.665 9.411 1.00 0.00 C ATOM 631 CD GLN A 38 -8.969 2.957 10.892 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.972 2.610 11.517 1.00 0.00 O ATOM 633 NE2 GLN A 38 -7.956 3.598 11.465 1.00 0.00 N ATOM 0 H GLN A 38 -8.135 2.172 7.131 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.036 1.803 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.847 4.270 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.915 3.109 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.760 1.588 9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.906 3.102 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.144 3.867 10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.991 3.821 12.460 1.00 0.00 H new ATOM 642 N PRO A 39 -9.582 4.379 5.778 1.00 0.00 N ATOM 643 CA PRO A 39 -9.799 5.404 4.766 1.00 0.00 C ATOM 644 C PRO A 39 -9.600 4.882 3.340 1.00 0.00 C ATOM 645 O PRO A 39 -10.550 4.424 2.706 1.00 0.00 O ATOM 646 CB PRO A 39 -8.757 6.465 5.125 1.00 0.00 C ATOM 647 CG PRO A 39 -7.647 5.725 5.808 1.00 0.00 C ATOM 648 CD PRO A 39 -8.203 4.404 6.292 1.00 0.00 C ATOM 0 HA PRO A 39 -10.823 5.778 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.396 6.977 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.182 7.226 5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.817 5.562 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.258 6.306 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.621 3.564 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.183 4.339 7.380 1.00 0.00 H new ATOM 656 N LEU A 40 -8.368 4.951 2.836 1.00 0.00 N ATOM 657 CA LEU A 40 -8.068 4.484 1.487 1.00 0.00 C ATOM 658 C LEU A 40 -8.895 5.239 0.449 1.00 0.00 C ATOM 659 O LEU A 40 -9.088 4.761 -0.668 1.00 0.00 O ATOM 660 CB LEU A 40 -8.338 2.981 1.367 1.00 0.00 C ATOM 661 CG LEU A 40 -8.009 2.155 2.614 1.00 0.00 C ATOM 662 CD1 LEU A 40 -9.022 1.034 2.794 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.599 1.593 2.521 1.00 0.00 C ATOM 0 H LEU A 40 -7.565 5.325 3.342 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.012 4.675 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.390 2.836 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.760 2.590 0.530 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.063 2.808 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.772 0.458 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.019 1.459 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.001 0.381 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.381 1.009 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.519 0.954 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.885 2.413 2.440 1.00 0.00 H new ATOM 675 N ALA A 41 -9.380 6.421 0.823 1.00 0.00 N ATOM 676 CA ALA A 41 -10.187 7.237 -0.078 1.00 0.00 C ATOM 677 C ALA A 41 -11.489 6.527 -0.441 1.00 0.00 C ATOM 678 O ALA A 41 -11.476 5.371 -0.864 1.00 0.00 O ATOM 679 CB ALA A 41 -9.397 7.574 -1.335 1.00 0.00 C ATOM 0 H ALA A 41 -9.228 6.834 1.743 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.440 8.164 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.011 8.183 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.498 8.127 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.115 6.653 -1.845 1.00 0.00 H new ATOM 685 N PRO A 42 -12.640 7.209 -0.284 1.00 0.00 N ATOM 686 CA PRO A 42 -13.948 6.627 -0.600 1.00 0.00 C ATOM 687 C PRO A 42 -14.176 6.486 -2.101 1.00 0.00 C ATOM 688 O PRO A 42 -14.979 5.663 -2.542 1.00 0.00 O ATOM 689 CB PRO A 42 -14.935 7.631 -0.002 1.00 0.00 C ATOM 690 CG PRO A 42 -14.206 8.928 -0.014 1.00 0.00 C ATOM 691 CD PRO A 42 -12.757 8.593 0.216 1.00 0.00 C ATOM 0 HA PRO A 42 -14.050 5.617 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.850 7.686 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.224 7.348 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.341 9.442 -0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.581 9.593 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.097 9.272 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.491 8.663 1.271 1.00 0.00 H new ATOM 699 N LYS A 43 -13.469 7.294 -2.883 1.00 0.00 N ATOM 700 CA LYS A 43 -13.596 7.259 -4.336 1.00 0.00 C ATOM 701 C LYS A 43 -12.803 6.098 -4.928 1.00 0.00 C ATOM 702 O LYS A 43 -13.172 5.545 -5.963 1.00 0.00 O ATOM 703 CB LYS A 43 -13.120 8.580 -4.942 1.00 0.00 C ATOM 704 CG LYS A 43 -11.691 8.939 -4.569 1.00 0.00 C ATOM 705 CD LYS A 43 -11.582 10.381 -4.094 1.00 0.00 C ATOM 706 CE LYS A 43 -10.558 10.528 -2.981 1.00 0.00 C ATOM 707 NZ LYS A 43 -9.617 11.653 -3.238 1.00 0.00 N ATOM 0 H LYS A 43 -12.801 7.982 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.649 7.114 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.200 8.522 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.784 9.380 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.340 8.269 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.041 8.789 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.304 11.020 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.555 10.723 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.072 10.694 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.995 9.600 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.034 11.818 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.001 11.414 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.157 12.514 -3.460 1.00 0.00 H new ATOM 721 N TYR A 44 -11.709 5.736 -4.265 1.00 0.00 N ATOM 722 CA TYR A 44 -10.864 4.641 -4.729 1.00 0.00 C ATOM 723 C TYR A 44 -11.126 3.369 -3.929 1.00 0.00 C ATOM 724 O TYR A 44 -11.484 2.334 -4.491 1.00 0.00 O ATOM 725 CB TYR A 44 -9.388 5.029 -4.621 1.00 0.00 C ATOM 726 CG TYR A 44 -9.031 6.276 -5.397 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.128 6.306 -6.784 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.598 7.424 -4.745 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.802 7.443 -7.497 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.272 8.565 -5.452 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.375 8.570 -6.827 1.00 0.00 C ATOM 732 OH TYR A 44 -8.050 9.705 -7.534 1.00 0.00 O ATOM 0 H TYR A 44 -11.387 6.184 -3.407 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.108 4.446 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.137 5.180 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.776 4.201 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.464 5.426 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.515 7.424 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.881 7.449 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.938 9.449 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.473 10.278 -6.986 1.00 0.00 H new ATOM 742 N LYS A 45 -10.946 3.454 -2.614 1.00 0.00 N ATOM 743 CA LYS A 45 -11.163 2.309 -1.738 1.00 0.00 C ATOM 744 C LYS A 45 -10.200 1.177 -2.075 1.00 0.00 C ATOM 745 O LYS A 45 -9.791 1.017 -3.225 1.00 0.00 O ATOM 746 CB LYS A 45 -12.607 1.816 -1.854 1.00 0.00 C ATOM 747 CG LYS A 45 -13.641 2.884 -1.538 1.00 0.00 C ATOM 748 CD LYS A 45 -14.824 2.814 -2.492 1.00 0.00 C ATOM 749 CE LYS A 45 -16.138 3.074 -1.773 1.00 0.00 C ATOM 750 NZ LYS A 45 -17.280 3.171 -2.722 1.00 0.00 N ATOM 0 H LYS A 45 -10.651 4.303 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.977 2.628 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.776 1.446 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.750 0.973 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.991 2.761 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.179 3.869 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.693 3.546 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.855 1.832 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.326 2.272 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.062 3.999 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.157 3.349 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.113 3.953 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.369 2.280 -3.250 1.00 0.00 H new ATOM 764 N ASP A 46 -9.841 0.391 -1.064 1.00 0.00 N ATOM 765 CA ASP A 46 -8.924 -0.728 -1.254 1.00 0.00 C ATOM 766 C ASP A 46 -9.689 -2.013 -1.548 1.00 0.00 C ATOM 767 O ASP A 46 -10.886 -2.112 -1.276 1.00 0.00 O ATOM 768 CB ASP A 46 -8.050 -0.913 -0.013 1.00 0.00 C ATOM 769 CG ASP A 46 -6.995 -1.986 -0.204 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.500 -2.134 -1.340 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.665 -2.676 0.783 1.00 0.00 O ATOM 0 H ASP A 46 -10.171 0.508 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.286 -0.503 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.564 0.032 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.681 -1.174 0.837 1.00 0.00 H new ATOM 776 N HIS A 47 -8.990 -2.997 -2.107 1.00 0.00 N ATOM 777 CA HIS A 47 -9.604 -4.277 -2.438 1.00 0.00 C ATOM 778 C HIS A 47 -8.546 -5.370 -2.575 1.00 0.00 C ATOM 779 O HIS A 47 -7.370 -5.082 -2.799 1.00 0.00 O ATOM 780 CB HIS A 47 -10.407 -4.160 -3.736 1.00 0.00 C ATOM 781 CG HIS A 47 -11.885 -4.061 -3.517 1.00 0.00 C ATOM 782 ND1 HIS A 47 -12.523 -2.877 -3.214 1.00 0.00 N ATOM 783 CD2 HIS A 47 -12.853 -5.007 -3.559 1.00 0.00 C ATOM 784 CE1 HIS A 47 -13.819 -3.099 -3.078 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.045 -4.384 -3.283 1.00 0.00 N ATOM 0 H HIS A 47 -7.999 -2.932 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.278 -4.550 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.069 -3.281 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.198 -5.027 -4.363 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -12.066 -1.971 -3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.713 -6.057 -3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.566 -2.356 -2.840 1.00 0.00 H new ATOM 794 N PRO A 48 -8.953 -6.644 -2.441 1.00 0.00 N ATOM 795 CA PRO A 48 -8.036 -7.783 -2.549 1.00 0.00 C ATOM 796 C PRO A 48 -7.615 -8.069 -3.989 1.00 0.00 C ATOM 797 O PRO A 48 -6.788 -8.947 -4.238 1.00 0.00 O ATOM 798 CB PRO A 48 -8.854 -8.944 -1.992 1.00 0.00 C ATOM 799 CG PRO A 48 -10.269 -8.575 -2.269 1.00 0.00 C ATOM 800 CD PRO A 48 -10.338 -7.074 -2.170 1.00 0.00 C ATOM 0 HA PRO A 48 -7.102 -7.602 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.588 -9.884 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.680 -9.074 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.573 -8.914 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.942 -9.044 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.037 -6.656 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.672 -6.752 -1.184 1.00 0.00 H new ATOM 808 N LEU A 49 -8.186 -7.326 -4.937 1.00 0.00 N ATOM 809 CA LEU A 49 -7.869 -7.502 -6.353 1.00 0.00 C ATOM 810 C LEU A 49 -8.530 -8.761 -6.909 1.00 0.00 C ATOM 811 O LEU A 49 -9.337 -8.692 -7.836 1.00 0.00 O ATOM 812 CB LEU A 49 -6.352 -7.565 -6.566 1.00 0.00 C ATOM 813 CG LEU A 49 -5.793 -6.530 -7.546 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.330 -6.247 -7.244 1.00 0.00 C ATOM 815 CD2 LEU A 49 -5.961 -7.010 -8.978 1.00 0.00 C ATOM 0 H LEU A 49 -8.872 -6.595 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.262 -6.640 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.859 -7.434 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.092 -8.561 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.353 -5.603 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.949 -5.509 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.236 -5.860 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.755 -7.168 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.559 -6.263 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.426 -7.950 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.020 -7.162 -9.189 1.00 0.00 H new ATOM 827 N LYS A 50 -8.186 -9.912 -6.338 1.00 0.00 N ATOM 828 CA LYS A 50 -8.747 -11.184 -6.776 1.00 0.00 C ATOM 829 C LYS A 50 -8.324 -11.502 -8.207 1.00 0.00 C ATOM 830 O LYS A 50 -7.703 -10.680 -8.879 1.00 0.00 O ATOM 831 CB LYS A 50 -10.274 -11.152 -6.676 1.00 0.00 C ATOM 832 CG LYS A 50 -10.821 -11.892 -5.466 1.00 0.00 C ATOM 833 CD LYS A 50 -12.029 -11.179 -4.876 1.00 0.00 C ATOM 834 CE LYS A 50 -12.408 -11.755 -3.521 1.00 0.00 C ATOM 835 NZ LYS A 50 -12.977 -13.126 -3.642 1.00 0.00 N ATOM 0 H LYS A 50 -7.520 -9.989 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.363 -11.967 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.605 -10.114 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.698 -11.588 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.100 -12.906 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.042 -11.979 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.811 -10.116 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.874 -11.266 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.528 -11.782 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.135 -11.101 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.097 -13.537 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.901 -13.078 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.332 -13.722 -4.199 1.00 0.00 H new ATOM 849 N GLY A 51 -8.662 -12.703 -8.664 1.00 0.00 N ATOM 850 CA GLY A 51 -8.308 -13.110 -10.012 1.00 0.00 C ATOM 851 C GLY A 51 -7.031 -13.928 -10.050 1.00 0.00 C ATOM 852 O GLY A 51 -6.238 -13.809 -10.985 1.00 0.00 O ATOM 0 H GLY A 51 -9.174 -13.402 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.124 -13.694 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.189 -12.225 -10.637 1.00 0.00 H new ATOM 856 N GLY A 52 -6.832 -14.758 -9.032 1.00 0.00 N ATOM 857 CA GLY A 52 -5.642 -15.585 -8.972 1.00 0.00 C ATOM 858 C GLY A 52 -4.631 -15.074 -7.965 1.00 0.00 C ATOM 859 O GLY A 52 -3.885 -15.854 -7.372 1.00 0.00 O ATOM 0 H GLY A 52 -7.474 -14.873 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.925 -16.605 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.180 -15.624 -9.958 1.00 0.00 H new ATOM 863 N LEU A 53 -4.608 -13.759 -7.770 1.00 0.00 N ATOM 864 CA LEU A 53 -3.682 -13.142 -6.827 1.00 0.00 C ATOM 865 C LEU A 53 -4.439 -12.391 -5.736 1.00 0.00 C ATOM 866 O LEU A 53 -4.405 -11.161 -5.675 1.00 0.00 O ATOM 867 CB LEU A 53 -2.735 -12.188 -7.559 1.00 0.00 C ATOM 868 CG LEU A 53 -2.162 -12.726 -8.871 1.00 0.00 C ATOM 869 CD1 LEU A 53 -1.554 -11.597 -9.690 1.00 0.00 C ATOM 870 CD2 LEU A 53 -1.126 -13.805 -8.597 1.00 0.00 C ATOM 0 H LEU A 53 -5.220 -13.101 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.097 -13.933 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.267 -11.260 -7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.908 -11.940 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.975 -13.168 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.151 -11.998 -10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.322 -10.857 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.753 -11.126 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.729 -14.176 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.314 -13.387 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.591 -14.626 -8.051 1.00 0.00 H new ATOM 882 N LYS A 54 -5.122 -13.138 -4.876 1.00 0.00 N ATOM 883 CA LYS A 54 -5.888 -12.544 -3.787 1.00 0.00 C ATOM 884 C LYS A 54 -4.962 -11.903 -2.758 1.00 0.00 C ATOM 885 O LYS A 54 -5.320 -10.915 -2.117 1.00 0.00 O ATOM 886 CB LYS A 54 -6.763 -13.602 -3.114 1.00 0.00 C ATOM 887 CG LYS A 54 -7.808 -14.206 -4.037 1.00 0.00 C ATOM 888 CD LYS A 54 -8.874 -14.957 -3.257 1.00 0.00 C ATOM 889 CE LYS A 54 -9.942 -15.527 -4.177 1.00 0.00 C ATOM 890 NZ LYS A 54 -11.191 -15.860 -3.440 1.00 0.00 N ATOM 0 H LYS A 54 -5.161 -14.157 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.528 -11.768 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.125 -14.399 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.264 -13.154 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.275 -13.416 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.325 -14.884 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.410 -15.765 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.337 -14.286 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.166 -14.806 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.559 -16.423 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.941 -16.100 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.018 -16.672 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.488 -15.041 -2.872 1.00 0.00 H new ATOM 904 N ASP A 55 -3.771 -12.471 -2.607 1.00 0.00 N ATOM 905 CA ASP A 55 -2.793 -11.955 -1.656 1.00 0.00 C ATOM 906 C ASP A 55 -2.353 -10.545 -2.041 1.00 0.00 C ATOM 907 O ASP A 55 -2.080 -9.712 -1.177 1.00 0.00 O ATOM 908 CB ASP A 55 -1.579 -12.884 -1.589 1.00 0.00 C ATOM 909 CG ASP A 55 -1.549 -13.701 -0.311 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.518 -14.448 -0.061 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.557 -13.592 0.441 1.00 0.00 O ATOM 0 H ASP A 55 -3.459 -13.289 -3.131 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.263 -11.913 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.591 -13.556 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.667 -12.292 -1.661 1.00 0.00 H new ATOM 916 N PHE A 56 -2.288 -10.285 -3.344 1.00 0.00 N ATOM 917 CA PHE A 56 -1.882 -8.975 -3.842 1.00 0.00 C ATOM 918 C PHE A 56 -3.070 -8.020 -3.890 1.00 0.00 C ATOM 919 O PHE A 56 -4.173 -8.403 -4.280 1.00 0.00 O ATOM 920 CB PHE A 56 -1.263 -9.107 -5.235 1.00 0.00 C ATOM 921 CG PHE A 56 0.238 -9.169 -5.222 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.894 -10.289 -4.735 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.992 -8.108 -5.697 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.274 -10.349 -4.722 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.374 -8.162 -5.686 1.00 0.00 C ATOM 926 CZ PHE A 56 3.015 -9.285 -5.198 1.00 0.00 C ATOM 0 H PHE A 56 -2.511 -10.963 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.138 -8.567 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.651 -10.007 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.578 -8.261 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.320 -11.124 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.495 -7.229 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.773 -11.227 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.951 -7.328 -6.058 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.094 -9.331 -5.189 1.00 0.00 H new ATOM 936 N ARG A 57 -2.838 -6.774 -3.491 1.00 0.00 N ATOM 937 CA ARG A 57 -3.890 -5.763 -3.487 1.00 0.00 C ATOM 938 C ARG A 57 -3.296 -4.360 -3.553 1.00 0.00 C ATOM 939 O ARG A 57 -2.151 -4.140 -3.157 1.00 0.00 O ATOM 940 CB ARG A 57 -4.766 -5.903 -2.239 1.00 0.00 C ATOM 941 CG ARG A 57 -4.000 -6.324 -0.996 1.00 0.00 C ATOM 942 CD ARG A 57 -4.683 -5.835 0.273 1.00 0.00 C ATOM 943 NE ARG A 57 -4.533 -6.781 1.373 1.00 0.00 N ATOM 944 CZ ARG A 57 -5.304 -6.786 2.459 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.278 -5.893 2.593 1.00 0.00 N ATOM 946 NH2 ARG A 57 -5.101 -7.684 3.413 1.00 0.00 N ATOM 0 H ARG A 57 -1.931 -6.440 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.509 -5.919 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.260 -4.951 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.550 -6.634 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.916 -7.410 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.986 -5.927 -1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.263 -4.872 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.743 -5.674 0.075 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.794 -7.480 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.438 -5.199 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.866 -5.901 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.354 -8.372 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.692 -7.687 4.244 1.00 0.00 H new ATOM 960 N GLU A 58 -4.082 -3.414 -4.057 1.00 0.00 N ATOM 961 CA GLU A 58 -3.632 -2.032 -4.176 1.00 0.00 C ATOM 962 C GLU A 58 -4.659 -1.071 -3.587 1.00 0.00 C ATOM 963 O GLU A 58 -5.857 -1.187 -3.850 1.00 0.00 O ATOM 964 CB GLU A 58 -3.377 -1.684 -5.644 1.00 0.00 C ATOM 965 CG GLU A 58 -2.873 -0.266 -5.856 1.00 0.00 C ATOM 966 CD GLU A 58 -2.808 0.116 -7.321 1.00 0.00 C ATOM 967 OE1 GLU A 58 -1.980 -0.469 -8.052 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.585 1.000 -7.741 1.00 0.00 O ATOM 0 H GLU A 58 -5.032 -3.579 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.703 -1.929 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.649 -2.384 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.301 -1.820 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.527 0.430 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.882 -0.167 -5.414 1.00 0.00 H new ATOM 975 N CYS A 59 -4.183 -0.121 -2.788 1.00 0.00 N ATOM 976 CA CYS A 59 -5.060 0.861 -2.161 1.00 0.00 C ATOM 977 C CYS A 59 -4.695 2.274 -2.604 1.00 0.00 C ATOM 978 O CYS A 59 -3.870 2.463 -3.497 1.00 0.00 O ATOM 979 CB CYS A 59 -4.976 0.753 -0.636 1.00 0.00 C ATOM 980 SG CYS A 59 -3.369 1.209 0.054 1.00 0.00 S ATOM 0 H CYS A 59 -3.195 -0.011 -2.560 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.083 0.653 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.742 1.391 -0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.207 -0.271 -0.343 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.402 1.086 1.348 1.00 0.00 H new ATOM 986 N HIS A 60 -5.316 3.265 -1.975 1.00 0.00 N ATOM 987 CA HIS A 60 -5.056 4.662 -2.305 1.00 0.00 C ATOM 988 C HIS A 60 -5.021 5.521 -1.045 1.00 0.00 C ATOM 989 O HIS A 60 -5.994 6.198 -0.716 1.00 0.00 O ATOM 990 CB HIS A 60 -6.126 5.189 -3.264 1.00 0.00 C ATOM 991 CG HIS A 60 -5.931 4.740 -4.680 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.202 5.458 -5.605 1.00 0.00 N ATOM 993 CD2 HIS A 60 -6.375 3.637 -5.330 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.208 4.818 -6.761 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.911 3.710 -6.619 1.00 0.00 N ATOM 0 H HIS A 60 -6.003 3.128 -1.234 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.082 4.719 -2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.106 4.860 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.126 6.279 -3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.981 2.847 -4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.721 5.146 -7.667 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.082 3.019 -7.350 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.890 5.490 -0.345 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.727 6.267 0.878 1.00 0.00 C ATOM 1006 C LEU A 61 -3.993 7.747 0.621 1.00 0.00 C ATOM 1007 O LEU A 61 -4.771 8.380 1.334 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.318 6.078 1.444 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.184 6.227 0.426 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.528 7.593 0.553 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.154 5.121 0.608 1.00 0.00 C ATOM 0 H LEU A 61 -3.074 4.935 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.453 5.908 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.165 6.802 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.254 5.087 1.894 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.608 6.141 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.275 7.680 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.270 8.371 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.119 7.708 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.644 5.243 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.264 5.175 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.632 4.152 0.465 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.345 8.291 -0.404 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.516 9.696 -0.753 1.00 0.00 C ATOM 1025 C LYS A 62 -4.575 9.857 -1.845 1.00 0.00 C ATOM 1026 O LYS A 62 -4.991 8.877 -2.463 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.185 10.293 -1.214 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.575 11.263 -0.215 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.507 12.131 -0.861 1.00 0.00 C ATOM 1030 CE LYS A 62 0.451 12.699 0.175 1.00 0.00 C ATOM 1031 NZ LYS A 62 1.853 12.741 -0.328 1.00 0.00 N ATOM 0 H LYS A 62 -2.698 7.781 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.853 10.232 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.479 9.484 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.337 10.809 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.357 11.897 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.140 10.706 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.050 11.542 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.981 12.947 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.134 13.705 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.408 12.093 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.474 13.134 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.165 11.778 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.899 13.340 -1.177 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.028 11.099 -2.096 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.046 11.377 -3.116 1.00 0.00 C ATOM 1047 C PRO A 63 -5.547 11.105 -4.532 1.00 0.00 C ATOM 1048 O PRO A 63 -6.335 11.061 -5.479 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.348 12.867 -2.930 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.131 13.424 -2.274 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.590 12.325 -1.404 1.00 0.00 C ATOM 0 HA PRO A 63 -6.919 10.735 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.540 13.354 -3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.234 13.017 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.395 13.733 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.376 14.306 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.504 12.375 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.989 12.380 -0.391 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.240 10.924 -4.672 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.639 10.657 -5.975 1.00 0.00 C ATOM 1061 C ASP A 64 -2.374 9.818 -5.823 1.00 0.00 C ATOM 1062 O ASP A 64 -1.315 10.174 -6.338 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.316 11.970 -6.690 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.350 11.829 -8.199 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.386 11.378 -8.731 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -2.338 12.169 -8.850 1.00 0.00 O ATOM 0 H ASP A 64 -3.575 10.957 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.356 10.096 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.031 12.733 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.329 12.315 -6.382 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.492 8.705 -5.107 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.356 7.818 -4.884 1.00 0.00 C ATOM 1073 C LEU A 65 -1.821 6.401 -4.568 1.00 0.00 C ATOM 1074 O LEU A 65 -2.674 6.193 -3.707 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.494 8.353 -3.737 1.00 0.00 C ATOM 1076 CG LEU A 65 0.870 8.905 -4.151 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.756 10.368 -4.556 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.874 8.737 -3.019 1.00 0.00 C ATOM 0 H LEU A 65 -3.361 8.396 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.763 7.786 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.047 9.141 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.340 7.551 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 65 1.225 8.341 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.737 10.742 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.068 10.460 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.381 10.950 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.841 9.134 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.524 9.277 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.977 7.679 -2.778 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.246 5.426 -5.267 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.595 4.026 -5.054 1.00 0.00 C ATOM 1092 C LEU A 66 -0.498 3.322 -4.265 1.00 0.00 C ATOM 1093 O LEU A 66 0.634 3.802 -4.199 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.825 3.303 -6.390 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.547 4.132 -7.645 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.065 4.107 -7.984 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.372 3.618 -8.816 1.00 0.00 C ATOM 0 H LEU A 66 -0.538 5.580 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.523 3.995 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.194 2.415 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.859 2.960 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.836 5.164 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.113 4.702 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.505 4.522 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.250 3.079 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.162 4.219 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.114 2.578 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.432 3.688 -8.573 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.835 2.185 -3.666 1.00 0.00 N ATOM 1110 CA LEU A 67 0.134 1.427 -2.885 1.00 0.00 C ATOM 1111 C LEU A 67 -0.153 -0.067 -2.945 1.00 0.00 C ATOM 1112 O LEU A 67 -1.052 -0.565 -2.267 1.00 0.00 O ATOM 1113 CB LEU A 67 0.136 1.896 -1.429 1.00 0.00 C ATOM 1114 CG LEU A 67 1.408 1.558 -0.647 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.475 2.365 0.639 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.471 0.069 -0.347 1.00 0.00 C ATOM 0 H LEU A 67 -1.766 1.770 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 67 1.118 1.605 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.009 2.976 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.717 1.451 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 67 2.269 1.821 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.386 2.111 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.479 3.429 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.608 2.135 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.382 -0.152 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.604 -0.219 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.472 -0.491 -1.282 1.00 0.00 H new ATOM 1128 N VAL A 68 0.625 -0.779 -3.752 1.00 0.00 N ATOM 1129 CA VAL A 68 0.467 -2.220 -3.891 1.00 0.00 C ATOM 1130 C VAL A 68 1.334 -2.946 -2.870 1.00 0.00 C ATOM 1131 O VAL A 68 2.528 -2.671 -2.755 1.00 0.00 O ATOM 1132 CB VAL A 68 0.848 -2.698 -5.306 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.521 -4.173 -5.477 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.140 -1.863 -6.363 1.00 0.00 C ATOM 0 H VAL A 68 1.372 -0.380 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.584 -2.451 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 68 1.923 -2.569 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.797 -4.493 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.079 -4.757 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.547 -4.329 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.422 -2.216 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.939 -1.956 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.429 -0.818 -6.254 1.00 0.00 H new ATOM 1144 N TYR A 69 0.732 -3.865 -2.124 1.00 0.00 N ATOM 1145 CA TYR A 69 1.465 -4.614 -1.109 1.00 0.00 C ATOM 1146 C TYR A 69 0.872 -6.007 -0.918 1.00 0.00 C ATOM 1147 O TYR A 69 -0.237 -6.290 -1.372 1.00 0.00 O ATOM 1148 CB TYR A 69 1.450 -3.856 0.217 1.00 0.00 C ATOM 1149 CG TYR A 69 0.061 -3.481 0.684 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.637 -2.444 0.078 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.550 -4.165 1.726 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -1.907 -2.098 0.501 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -1.820 -3.825 2.154 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.493 -2.792 1.537 1.00 0.00 C ATOM 1155 OH TYR A 69 -3.757 -2.451 1.960 1.00 0.00 O ATOM 0 H TYR A 69 -0.255 -4.109 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 69 2.495 -4.725 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.928 -4.468 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.047 -2.950 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.181 -1.900 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.025 -4.975 2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.437 -1.288 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.282 -4.365 2.967 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.408 -2.684 1.266 1.00 0.00 H new ATOM 1165 N GLN A 70 1.621 -6.871 -0.242 1.00 0.00 N ATOM 1166 CA GLN A 70 1.176 -8.235 0.016 1.00 0.00 C ATOM 1167 C GLN A 70 1.678 -8.723 1.372 1.00 0.00 C ATOM 1168 O GLN A 70 2.877 -8.705 1.644 1.00 0.00 O ATOM 1169 CB GLN A 70 1.668 -9.172 -1.089 1.00 0.00 C ATOM 1170 CG GLN A 70 0.988 -10.531 -1.079 1.00 0.00 C ATOM 1171 CD GLN A 70 1.977 -11.678 -1.168 1.00 0.00 C ATOM 1172 OE1 GLN A 70 2.421 -12.046 -2.255 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.324 -12.249 -0.021 1.00 0.00 N ATOM 0 H GLN A 70 2.541 -6.650 0.138 1.00 0.00 H new ATOM 0 HA GLN A 70 0.086 -8.239 0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.502 -8.699 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.744 -9.312 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.400 -10.633 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.291 -10.591 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.930 -11.910 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.984 -13.026 -0.018 1.00 0.00 H new ATOM 1182 N ILE A 71 0.749 -9.156 2.220 1.00 0.00 N ATOM 1183 CA ILE A 71 1.098 -9.648 3.548 1.00 0.00 C ATOM 1184 C ILE A 71 1.355 -11.152 3.521 1.00 0.00 C ATOM 1185 O ILE A 71 0.799 -11.874 2.693 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.014 -9.332 4.575 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.063 -7.830 4.864 1.00 0.00 C ATOM 1188 CG2 ILE A 71 0.203 -10.109 5.869 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.312 -6.983 3.635 1.00 0.00 C ATOM 0 H ILE A 71 -0.249 -9.176 2.011 1.00 0.00 H new ATOM 0 HA ILE A 71 2.010 -9.135 3.853 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.968 -9.640 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.848 -7.635 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.879 -7.526 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.592 -9.869 6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.191 -11.178 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.166 -9.835 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.334 -5.930 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.486 -7.148 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.268 -7.259 3.190 1.00 0.00 H new ATOM 1201 N LYS A 72 2.200 -11.616 4.436 1.00 0.00 N ATOM 1202 CA LYS A 72 2.531 -13.033 4.526 1.00 0.00 C ATOM 1203 C LYS A 72 2.160 -13.588 5.897 1.00 0.00 C ATOM 1204 O LYS A 72 2.850 -13.343 6.887 1.00 0.00 O ATOM 1205 CB LYS A 72 4.023 -13.248 4.260 1.00 0.00 C ATOM 1206 CG LYS A 72 4.920 -12.233 4.952 1.00 0.00 C ATOM 1207 CD LYS A 72 5.400 -11.158 3.987 1.00 0.00 C ATOM 1208 CE LYS A 72 6.902 -10.949 4.089 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.644 -11.727 3.059 1.00 0.00 N ATOM 0 H LYS A 72 2.669 -11.030 5.127 1.00 0.00 H new ATOM 0 HA LYS A 72 1.956 -13.566 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.301 -14.249 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.201 -13.204 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.377 -11.768 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.780 -12.743 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.139 -11.440 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.886 -10.221 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.129 -9.889 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.243 -11.244 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.665 -11.556 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.448 -12.741 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.338 -11.428 2.111 1.00 0.00 H new ATOM 1223 N LYS A 73 1.059 -14.333 5.947 1.00 0.00 N ATOM 1224 CA LYS A 73 0.587 -14.921 7.196 1.00 0.00 C ATOM 1225 C LYS A 73 1.630 -15.857 7.799 1.00 0.00 C ATOM 1226 O LYS A 73 1.639 -16.093 9.007 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.719 -15.682 6.960 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.833 -14.820 6.386 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.463 -15.460 5.160 1.00 0.00 C ATOM 1230 CE LYS A 73 -1.757 -15.032 3.884 1.00 0.00 C ATOM 1231 NZ LYS A 73 -0.775 -16.050 3.422 1.00 0.00 N ATOM 0 H LYS A 73 0.477 -14.544 5.136 1.00 0.00 H new ATOM 0 HA LYS A 73 0.411 -14.109 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.528 -16.513 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.054 -16.113 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.597 -14.659 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.436 -13.840 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.422 -16.545 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.516 -15.184 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.496 -14.860 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.245 -14.085 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.304 -15.711 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.065 -16.209 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.269 -16.942 3.219 1.00 0.00 H new ATOM 1245 N GLN A 74 2.509 -16.392 6.954 1.00 0.00 N ATOM 1246 CA GLN A 74 3.552 -17.306 7.413 1.00 0.00 C ATOM 1247 C GLN A 74 4.358 -16.691 8.554 1.00 0.00 C ATOM 1248 O GLN A 74 4.806 -17.397 9.458 1.00 0.00 O ATOM 1249 CB GLN A 74 4.482 -17.679 6.257 1.00 0.00 C ATOM 1250 CG GLN A 74 4.857 -16.505 5.369 1.00 0.00 C ATOM 1251 CD GLN A 74 6.175 -16.713 4.651 1.00 0.00 C ATOM 1252 OE1 GLN A 74 7.175 -16.068 4.964 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.182 -17.620 3.680 1.00 0.00 N ATOM 0 H GLN A 74 2.520 -16.209 5.951 1.00 0.00 H new ATOM 0 HA GLN A 74 3.067 -18.209 7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.392 -18.121 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.001 -18.444 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.069 -16.345 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.917 -15.601 5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.329 -18.132 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.040 -17.805 3.161 1.00 0.00 H new ATOM 1262 N GLU A 75 4.538 -15.375 8.508 1.00 0.00 N ATOM 1263 CA GLU A 75 5.289 -14.671 9.542 1.00 0.00 C ATOM 1264 C GLU A 75 4.676 -13.304 9.845 1.00 0.00 C ATOM 1265 O GLU A 75 5.314 -12.458 10.471 1.00 0.00 O ATOM 1266 CB GLU A 75 6.750 -14.504 9.116 1.00 0.00 C ATOM 1267 CG GLU A 75 6.923 -14.161 7.645 1.00 0.00 C ATOM 1268 CD GLU A 75 8.379 -14.035 7.243 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.087 -13.192 7.834 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.812 -14.780 6.339 1.00 0.00 O ATOM 0 H GLU A 75 4.175 -14.775 7.767 1.00 0.00 H new ATOM 0 HA GLU A 75 5.245 -15.271 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.207 -13.720 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.289 -15.427 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.448 -14.931 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.409 -13.224 7.431 1.00 0.00 H new ATOM 1277 N ASN A 76 3.436 -13.094 9.402 1.00 0.00 N ATOM 1278 CA ASN A 76 2.739 -11.829 9.631 1.00 0.00 C ATOM 1279 C ASN A 76 3.639 -10.634 9.319 1.00 0.00 C ATOM 1280 O ASN A 76 4.126 -9.958 10.226 1.00 0.00 O ATOM 1281 CB ASN A 76 2.250 -11.751 11.078 1.00 0.00 C ATOM 1282 CG ASN A 76 0.833 -12.266 11.239 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.318 -12.973 10.375 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.197 -11.912 12.349 1.00 0.00 N ATOM 0 H ASN A 76 2.894 -13.784 8.882 1.00 0.00 H new ATOM 0 HA ASN A 76 1.882 -11.792 8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.918 -12.329 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.299 -10.717 11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.759 -12.228 12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.664 -11.324 13.039 1.00 0.00 H new ATOM 1291 N THR A 77 3.856 -10.381 8.033 1.00 0.00 N ATOM 1292 CA THR A 77 4.696 -9.268 7.607 1.00 0.00 C ATOM 1293 C THR A 77 4.052 -8.511 6.448 1.00 0.00 C ATOM 1294 O THR A 77 3.470 -9.114 5.546 1.00 0.00 O ATOM 1295 CB THR A 77 6.078 -9.780 7.195 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.724 -10.411 8.286 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.995 -8.691 6.688 1.00 0.00 C ATOM 0 H THR A 77 3.463 -10.930 7.269 1.00 0.00 H new ATOM 0 HA THR A 77 4.804 -8.581 8.447 1.00 0.00 H new ATOM 0 HB THR A 77 5.894 -10.483 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.605 -10.733 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.957 -9.124 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.548 -8.217 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.142 -7.946 7.470 1.00 0.00 H new ATOM 1305 N LEU A 78 4.166 -7.186 6.479 1.00 0.00 N ATOM 1306 CA LEU A 78 3.597 -6.345 5.431 1.00 0.00 C ATOM 1307 C LEU A 78 4.651 -6.004 4.382 1.00 0.00 C ATOM 1308 O LEU A 78 5.362 -5.006 4.502 1.00 0.00 O ATOM 1309 CB LEU A 78 3.022 -5.061 6.034 1.00 0.00 C ATOM 1310 CG LEU A 78 1.670 -4.628 5.465 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.043 -3.553 6.340 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.830 -4.128 4.037 1.00 0.00 C ATOM 0 H LEU A 78 4.647 -6.672 7.218 1.00 0.00 H new ATOM 0 HA LEU A 78 2.793 -6.899 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.919 -5.198 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.738 -4.254 5.882 1.00 0.00 H new ATOM 0 HG LEU A 78 1.007 -5.493 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.082 -3.257 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.894 -3.944 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.703 -2.687 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.859 -3.824 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.509 -3.276 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.237 -4.926 3.416 1.00 0.00 H new ATOM 1324 N PHE A 79 4.747 -6.842 3.356 1.00 0.00 N ATOM 1325 CA PHE A 79 5.714 -6.635 2.284 1.00 0.00 C ATOM 1326 C PHE A 79 5.114 -5.788 1.165 1.00 0.00 C ATOM 1327 O PHE A 79 4.275 -6.258 0.397 1.00 0.00 O ATOM 1328 CB PHE A 79 6.186 -7.989 1.739 1.00 0.00 C ATOM 1329 CG PHE A 79 6.928 -7.910 0.431 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.748 -6.830 0.142 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.804 -8.922 -0.508 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.428 -6.762 -1.060 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.481 -8.858 -1.710 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.293 -7.778 -1.988 1.00 0.00 C ATOM 0 H PHE A 79 4.166 -7.673 3.244 1.00 0.00 H new ATOM 0 HA PHE A 79 6.571 -6.097 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.831 -8.460 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.319 -8.638 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.857 -6.034 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.170 -9.771 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.064 -5.916 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.375 -9.654 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.822 -7.726 -2.928 1.00 0.00 H new ATOM 1344 N LEU A 80 5.555 -4.536 1.078 1.00 0.00 N ATOM 1345 CA LEU A 80 5.067 -3.621 0.054 1.00 0.00 C ATOM 1346 C LEU A 80 5.459 -4.108 -1.338 1.00 0.00 C ATOM 1347 O LEU A 80 6.259 -5.033 -1.479 1.00 0.00 O ATOM 1348 CB LEU A 80 5.622 -2.215 0.290 1.00 0.00 C ATOM 1349 CG LEU A 80 5.445 -1.681 1.713 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.613 -0.788 2.100 1.00 0.00 C ATOM 1351 CD2 LEU A 80 4.131 -0.924 1.838 1.00 0.00 C ATOM 0 H LEU A 80 6.250 -4.133 1.706 1.00 0.00 H new ATOM 0 HA LEU A 80 3.979 -3.589 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.685 -2.215 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.136 -1.528 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 80 5.422 -2.529 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.468 -0.419 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.540 -1.360 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.670 0.055 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.021 -0.551 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.127 -0.085 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.302 -1.593 1.605 1.00 0.00 H new ATOM 1363 N VAL A 81 4.891 -3.481 -2.363 1.00 0.00 N ATOM 1364 CA VAL A 81 5.182 -3.856 -3.742 1.00 0.00 C ATOM 1365 C VAL A 81 5.501 -2.628 -4.592 1.00 0.00 C ATOM 1366 O VAL A 81 6.642 -2.431 -5.009 1.00 0.00 O ATOM 1367 CB VAL A 81 4.004 -4.621 -4.379 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.364 -5.096 -5.780 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.588 -5.793 -3.501 1.00 0.00 C ATOM 0 H VAL A 81 4.228 -2.712 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 81 6.054 -4.509 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 81 3.158 -3.939 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.519 -5.633 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.604 -4.236 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.227 -5.759 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.756 -6.320 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.429 -6.476 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.281 -5.424 -2.523 1.00 0.00 H new ATOM 1379 N ARG A 82 4.487 -1.807 -4.850 1.00 0.00 N ATOM 1380 CA ARG A 82 4.664 -0.603 -5.654 1.00 0.00 C ATOM 1381 C ARG A 82 4.010 0.603 -4.988 1.00 0.00 C ATOM 1382 O ARG A 82 3.402 0.484 -3.925 1.00 0.00 O ATOM 1383 CB ARG A 82 4.079 -0.808 -7.053 1.00 0.00 C ATOM 1384 CG ARG A 82 4.980 -1.610 -7.978 1.00 0.00 C ATOM 1385 CD ARG A 82 5.602 -0.732 -9.054 1.00 0.00 C ATOM 1386 NE ARG A 82 4.602 -0.221 -9.989 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.086 -0.937 -10.986 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.472 -2.191 -11.181 1.00 0.00 N ATOM 1389 NH2 ARG A 82 3.180 -0.395 -11.791 1.00 0.00 N ATOM 0 H ARG A 82 3.535 -1.954 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 82 5.733 -0.410 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.118 -1.316 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.885 0.166 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.769 -2.086 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.404 -2.408 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.120 0.104 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.351 -1.305 -9.601 1.00 0.00 H new ATOM 0 HE ARG A 82 4.281 0.740 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.168 -2.612 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.073 -2.734 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.880 0.569 -11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.784 -0.943 -12.555 1.00 0.00 H new ATOM 1403 N LEU A 83 4.137 1.764 -5.624 1.00 0.00 N ATOM 1404 CA LEU A 83 3.558 2.993 -5.096 1.00 0.00 C ATOM 1405 C LEU A 83 3.806 4.164 -6.044 1.00 0.00 C ATOM 1406 O LEU A 83 4.857 4.248 -6.680 1.00 0.00 O ATOM 1407 CB LEU A 83 4.142 3.309 -3.717 1.00 0.00 C ATOM 1408 CG LEU A 83 3.647 4.610 -3.085 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.515 4.455 -1.578 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.587 5.757 -3.424 1.00 0.00 C ATOM 0 H LEU A 83 4.636 1.878 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 83 2.482 2.844 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.909 2.484 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.228 3.354 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 83 2.663 4.839 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.162 5.391 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.803 3.660 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.486 4.202 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.220 6.676 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.584 5.535 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.632 5.883 -4.506 1.00 0.00 H new ATOM 1422 N GLY A 84 2.834 5.065 -6.132 1.00 0.00 N ATOM 1423 CA GLY A 84 2.968 6.219 -7.003 1.00 0.00 C ATOM 1424 C GLY A 84 1.680 6.551 -7.732 1.00 0.00 C ATOM 1425 O GLY A 84 0.613 6.621 -7.120 1.00 0.00 O ATOM 0 H GLY A 84 1.955 5.017 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.280 7.081 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.756 6.030 -7.732 1.00 0.00 H new ATOM 1429 N SER A 85 1.780 6.757 -9.041 1.00 0.00 N ATOM 1430 CA SER A 85 0.616 7.085 -9.856 1.00 0.00 C ATOM 1431 C SER A 85 0.763 6.525 -11.266 1.00 0.00 C ATOM 1432 O SER A 85 1.870 6.443 -11.799 1.00 0.00 O ATOM 1433 CB SER A 85 0.420 8.602 -9.915 1.00 0.00 C ATOM 1434 OG SER A 85 -0.730 8.938 -10.673 1.00 0.00 O ATOM 0 H SER A 85 2.656 6.703 -9.561 1.00 0.00 H new ATOM 0 HA SER A 85 -0.260 6.630 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.322 8.999 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.300 9.069 -10.357 1.00 0.00 H new ATOM 0 HG SER A 85 -0.835 9.912 -10.694 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.359 6.142 -11.866 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.354 5.589 -13.216 1.00 0.00 C ATOM 1442 C HIS A 86 0.225 6.591 -14.211 1.00 0.00 C ATOM 1443 O HIS A 86 0.834 6.207 -15.210 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.773 5.194 -13.633 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.992 3.713 -13.678 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.770 2.954 -14.808 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -2.416 2.851 -12.725 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.049 1.689 -14.547 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -2.443 1.600 -13.290 1.00 0.00 N ATOM 0 H HIS A 86 -1.283 6.204 -11.439 1.00 0.00 H new ATOM 0 HA HIS A 86 0.276 4.700 -13.217 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.485 5.638 -12.937 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.985 5.615 -14.616 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.683 3.101 -11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.968 0.868 -15.244 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -2.722 0.741 -12.816 1.00 0.00 H new ATOM 1458 N SER A 87 0.031 7.875 -13.931 1.00 0.00 N ATOM 1459 CA SER A 87 0.534 8.932 -14.801 1.00 0.00 C ATOM 1460 C SER A 87 2.025 9.160 -14.573 1.00 0.00 C ATOM 1461 O SER A 87 2.772 9.427 -15.512 1.00 0.00 O ATOM 1462 CB SER A 87 -0.236 10.231 -14.557 1.00 0.00 C ATOM 1463 OG SER A 87 -1.335 10.347 -15.445 1.00 0.00 O ATOM 0 H SER A 87 -0.471 8.209 -13.108 1.00 0.00 H new ATOM 0 HA SER A 87 0.387 8.619 -15.835 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.592 10.258 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.432 11.083 -14.686 1.00 0.00 H new ATOM 0 HG SER A 87 -1.812 11.185 -15.268 1.00 0.00 H new ATOM 1469 N GLU A 88 2.449 9.051 -13.317 1.00 0.00 N ATOM 1470 CA GLU A 88 3.850 9.245 -12.966 1.00 0.00 C ATOM 1471 C GLU A 88 4.711 8.117 -13.525 1.00 0.00 C ATOM 1472 O GLU A 88 5.676 8.361 -14.250 1.00 0.00 O ATOM 1473 CB GLU A 88 4.010 9.319 -11.446 1.00 0.00 C ATOM 1474 CG GLU A 88 3.292 10.501 -10.815 1.00 0.00 C ATOM 1475 CD GLU A 88 3.999 11.817 -11.074 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.307 12.105 -12.249 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.245 12.561 -10.100 1.00 0.00 O ATOM 0 H GLU A 88 1.842 8.830 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 88 4.183 10.185 -13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.632 8.397 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.071 9.377 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.276 10.555 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.212 10.341 -9.740 1.00 0.00 H new ATOM 1484 N LEU A 89 4.356 6.883 -13.183 1.00 0.00 N ATOM 1485 CA LEU A 89 5.097 5.718 -13.652 1.00 0.00 C ATOM 1486 C LEU A 89 5.010 5.592 -15.169 1.00 0.00 C ATOM 1487 O LEU A 89 5.983 5.841 -15.880 1.00 0.00 O ATOM 1488 CB LEU A 89 4.558 4.446 -12.992 1.00 0.00 C ATOM 1489 CG LEU A 89 5.123 4.150 -11.602 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.283 4.827 -10.530 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.187 2.649 -11.363 1.00 0.00 C ATOM 0 H LEU A 89 3.561 6.664 -12.583 1.00 0.00 H new ATOM 0 HA LEU A 89 6.143 5.849 -13.376 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.473 4.525 -12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.772 3.598 -13.643 1.00 0.00 H new ATOM 0 HG LEU A 89 6.135 4.550 -11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.700 4.605 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.287 5.905 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.259 4.456 -10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.591 2.456 -10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.185 2.226 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.831 2.188 -12.112 1.00 0.00 H new ATOM 1503 N PHE A 90 3.837 5.205 -15.660 1.00 0.00 N ATOM 1504 CA PHE A 90 3.621 5.047 -17.093 1.00 0.00 C ATOM 1505 C PHE A 90 3.321 6.392 -17.749 1.00 0.00 C ATOM 1506 O PHE A 90 2.896 7.318 -17.028 1.00 0.00 O ATOM 1507 CB PHE A 90 2.473 4.069 -17.353 1.00 0.00 C ATOM 1508 CG PHE A 90 2.930 2.668 -17.645 1.00 0.00 C ATOM 1509 CD1 PHE A 90 3.632 1.943 -16.695 1.00 0.00 C ATOM 1510 CD2 PHE A 90 2.660 2.078 -18.869 1.00 0.00 C ATOM 1511 CE1 PHE A 90 4.054 0.655 -16.960 1.00 0.00 C ATOM 1512 CE2 PHE A 90 3.081 0.791 -19.140 1.00 0.00 C ATOM 1513 CZ PHE A 90 3.779 0.078 -18.185 1.00 0.00 C ATOM 0 H PHE A 90 3.021 4.995 -15.085 1.00 0.00 H new ATOM 0 HA PHE A 90 4.535 4.646 -17.532 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.816 4.054 -16.483 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.881 4.432 -18.193 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.851 2.390 -15.737 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.114 2.631 -19.619 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.598 0.099 -16.211 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.865 0.342 -20.098 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.109 -0.929 -18.395 1.00 0.00 H new TER 1523 PHE A 90