USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 70 TYR OH : rot 130:sc= -0.615 USER MOD Set 1.2: A 85 SER OG : rot 97:sc= -0.663! USER MOD Set 2.1: A 41 MET CE :methyl 177:sc= -0.485 (180deg=-0.485) USER MOD Set 2.2: A 44 ASN : amide:sc= -3.04! K(o=-3.8!,f=-1.8) USER MOD Set 2.3: A 46 MET CE :methyl -154:sc= -0.318 (180deg=-0.924) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 108:sc= -4.01! USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0396 (180deg=-0.405) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 42:sc= -0.0539 USER MOD Single : A 40 MET CE :methyl 164:sc= -0.0105 (180deg=-0.151) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -0.441 (180deg=-0.723) USER MOD Single : A 52 GLN : amide:sc= -0.091 K(o=-0.091,f=-0.65) USER MOD Single : A 64 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-9.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.963! USER MOD Single : A 69 SER OG : rot 180:sc= -0.303! USER MOD Single : A 78 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-4!) USER MOD Single : A 79 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 81 SER OG : rot -60:sc= -1.98! USER MOD Single : A 83 ASN : amide:sc= 0.39 X(o=0.39,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -9.618 24.552 -15.064 1.00 0.00 N ATOM 2 CA THR A 3 -8.942 24.257 -13.807 1.00 0.00 C ATOM 3 C THR A 3 -7.772 23.303 -14.022 1.00 0.00 C ATOM 4 O THR A 3 -7.806 22.454 -14.913 1.00 0.00 O ATOM 5 CB THR A 3 -9.909 23.641 -12.778 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.043 22.234 -13.013 1.00 0.00 O ATOM 7 CG2 THR A 3 -11.275 24.305 -12.857 1.00 0.00 C ATOM 0 HA THR A 3 -8.568 25.205 -13.420 1.00 0.00 H new ATOM 0 HB THR A 3 -9.499 23.805 -11.782 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.658 21.849 -12.354 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.942 23.854 -12.122 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.174 25.370 -12.650 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.690 24.167 -13.856 1.00 0.00 H new ATOM 15 N ASP A 4 -6.738 23.449 -13.199 1.00 0.00 N ATOM 16 CA ASP A 4 -5.556 22.600 -13.298 1.00 0.00 C ATOM 17 C ASP A 4 -4.367 23.239 -12.588 1.00 0.00 C ATOM 18 O ASP A 4 -3.615 24.009 -13.185 1.00 0.00 O ATOM 19 CB ASP A 4 -5.210 22.341 -14.767 1.00 0.00 C ATOM 20 CG ASP A 4 -3.797 21.822 -14.946 1.00 0.00 C ATOM 21 OD1 ASP A 4 -3.219 21.322 -13.958 1.00 0.00 O ATOM 22 OD2 ASP A 4 -3.269 21.915 -16.074 1.00 0.00 O ATOM 0 H ASP A 4 -6.695 24.147 -12.456 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.779 21.650 -12.812 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.914 21.620 -15.181 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.329 23.264 -15.334 1.00 0.00 H new ATOM 27 N ILE A 5 -4.205 22.915 -11.310 1.00 0.00 N ATOM 28 CA ILE A 5 -3.110 23.458 -10.517 1.00 0.00 C ATOM 29 C ILE A 5 -1.876 22.559 -10.607 1.00 0.00 C ATOM 30 O ILE A 5 -1.790 21.698 -11.483 1.00 0.00 O ATOM 31 CB ILE A 5 -3.541 23.658 -9.040 1.00 0.00 C ATOM 32 CG1 ILE A 5 -3.025 24.999 -8.517 1.00 0.00 C ATOM 33 CG2 ILE A 5 -3.071 22.515 -8.147 1.00 0.00 C ATOM 34 CD1 ILE A 5 -3.345 26.161 -9.430 1.00 0.00 C ATOM 0 H ILE A 5 -4.819 22.279 -10.801 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.849 24.434 -10.926 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.631 23.660 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.457 25.188 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.945 24.938 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.395 22.697 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.498 21.577 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.983 22.453 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.951 27.081 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.890 25.993 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.426 26.248 -9.544 1.00 0.00 H new ATOM 46 N ASP A 6 -0.921 22.764 -9.705 1.00 0.00 N ATOM 47 CA ASP A 6 0.302 21.968 -9.697 1.00 0.00 C ATOM 48 C ASP A 6 0.130 20.703 -8.866 1.00 0.00 C ATOM 49 O ASP A 6 0.466 19.606 -9.311 1.00 0.00 O ATOM 50 CB ASP A 6 1.470 22.788 -9.148 1.00 0.00 C ATOM 51 CG ASP A 6 2.756 21.987 -9.092 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.698 20.796 -8.716 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.821 22.550 -9.420 1.00 0.00 O ATOM 0 H ASP A 6 -0.970 23.472 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 6 0.516 21.680 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.619 23.668 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.223 23.145 -8.148 1.00 0.00 H new ATOM 58 N GLU A 7 -0.384 20.868 -7.655 1.00 0.00 N ATOM 59 CA GLU A 7 -0.595 19.747 -6.748 1.00 0.00 C ATOM 60 C GLU A 7 0.734 19.238 -6.202 1.00 0.00 C ATOM 61 O GLU A 7 0.930 19.170 -4.988 1.00 0.00 O ATOM 62 CB GLU A 7 -1.340 18.617 -7.459 1.00 0.00 C ATOM 63 CG GLU A 7 -2.675 19.041 -8.053 1.00 0.00 C ATOM 64 CD GLU A 7 -2.588 19.316 -9.542 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.669 18.776 -10.191 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.440 20.069 -10.057 1.00 0.00 O ATOM 0 H GLU A 7 -0.664 21.773 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.202 20.095 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.708 18.222 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.509 17.804 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.413 18.259 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.028 19.936 -7.542 1.00 0.00 H new ATOM 73 N CYS A 8 1.648 18.887 -7.100 1.00 0.00 N ATOM 74 CA CYS A 8 2.957 18.394 -6.698 1.00 0.00 C ATOM 75 C CYS A 8 3.711 19.459 -5.915 1.00 0.00 C ATOM 76 O CYS A 8 4.598 19.149 -5.119 1.00 0.00 O ATOM 77 CB CYS A 8 3.768 17.967 -7.924 1.00 0.00 C ATOM 78 SG CYS A 8 3.191 16.419 -8.692 1.00 0.00 S ATOM 0 H CYS A 8 1.506 18.935 -8.109 1.00 0.00 H new ATOM 0 HA CYS A 8 2.813 17.526 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.732 18.764 -8.666 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.812 17.849 -7.633 1.00 0.00 H new ATOM 83 N ARG A 9 3.345 20.717 -6.137 1.00 0.00 N ATOM 84 CA ARG A 9 3.981 21.827 -5.440 1.00 0.00 C ATOM 85 C ARG A 9 3.661 21.765 -3.953 1.00 0.00 C ATOM 86 O ARG A 9 4.499 22.095 -3.113 1.00 0.00 O ATOM 87 CB ARG A 9 3.518 23.163 -6.023 1.00 0.00 C ATOM 88 CG ARG A 9 4.617 24.210 -6.093 1.00 0.00 C ATOM 89 CD ARG A 9 4.569 24.980 -7.402 1.00 0.00 C ATOM 90 NE ARG A 9 4.903 26.390 -7.220 1.00 0.00 N ATOM 91 CZ ARG A 9 6.138 26.833 -7.018 1.00 0.00 C ATOM 92 NH1 ARG A 9 7.152 25.980 -6.971 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.361 28.131 -6.861 1.00 0.00 N ATOM 0 H ARG A 9 2.613 20.992 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 9 5.060 21.746 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.123 22.995 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.698 23.549 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.515 24.903 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.589 23.727 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.264 24.532 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.572 24.897 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 9 4.145 27.072 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.984 24.981 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.100 26.323 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.583 28.790 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.310 28.470 -6.706 1.00 0.00 H new ATOM 107 N ILE A 10 2.447 21.327 -3.633 1.00 0.00 N ATOM 108 CA ILE A 10 2.024 21.209 -2.248 1.00 0.00 C ATOM 109 C ILE A 10 3.150 20.636 -1.398 1.00 0.00 C ATOM 110 O ILE A 10 3.346 21.035 -0.250 1.00 0.00 O ATOM 111 CB ILE A 10 0.783 20.301 -2.121 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.457 21.026 -2.646 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.581 19.861 -0.678 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.977 22.092 -1.707 1.00 0.00 C ATOM 0 H ILE A 10 1.742 21.049 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 10 1.768 22.208 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 10 0.944 19.408 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.221 21.483 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.246 20.296 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.299 19.222 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.457 19.307 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.440 20.738 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.857 22.564 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.245 21.637 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.204 22.844 -1.546 1.00 0.00 H new ATOM 126 N SER A 11 3.886 19.698 -1.979 1.00 0.00 N ATOM 127 CA SER A 11 4.994 19.058 -1.289 1.00 0.00 C ATOM 128 C SER A 11 5.885 18.316 -2.278 1.00 0.00 C ATOM 129 O SER A 11 5.429 17.888 -3.338 1.00 0.00 O ATOM 130 CB SER A 11 4.464 18.091 -0.232 1.00 0.00 C ATOM 131 OG SER A 11 5.384 17.039 0.004 1.00 0.00 O ATOM 0 H SER A 11 3.733 19.364 -2.930 1.00 0.00 H new ATOM 0 HA SER A 11 5.589 19.829 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.277 18.630 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.510 17.677 -0.559 1.00 0.00 H new ATOM 0 HG SER A 11 5.022 16.435 0.686 1.00 0.00 H new ATOM 137 N PRO A 12 7.171 18.148 -1.941 1.00 0.00 N ATOM 138 CA PRO A 12 8.131 17.454 -2.786 1.00 0.00 C ATOM 139 C PRO A 12 8.057 15.947 -2.593 1.00 0.00 C ATOM 140 O PRO A 12 8.494 15.174 -3.446 1.00 0.00 O ATOM 141 CB PRO A 12 9.490 17.983 -2.306 1.00 0.00 C ATOM 142 CG PRO A 12 9.204 18.896 -1.149 1.00 0.00 C ATOM 143 CD PRO A 12 7.797 18.611 -0.707 1.00 0.00 C ATOM 0 HA PRO A 12 7.947 17.630 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.141 17.163 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.003 18.518 -3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.908 18.720 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.312 19.940 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.762 17.853 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.307 19.501 -0.311 1.00 0.00 H new ATOM 151 N ASP A 13 7.495 15.540 -1.460 1.00 0.00 N ATOM 152 CA ASP A 13 7.350 14.128 -1.140 1.00 0.00 C ATOM 153 C ASP A 13 5.878 13.749 -1.098 1.00 0.00 C ATOM 154 O ASP A 13 5.486 12.806 -0.413 1.00 0.00 O ATOM 155 CB ASP A 13 8.012 13.815 0.203 1.00 0.00 C ATOM 156 CG ASP A 13 8.816 12.530 0.165 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.214 11.459 -0.058 1.00 0.00 O ATOM 158 OD2 ASP A 13 10.048 12.595 0.358 1.00 0.00 O ATOM 0 H ASP A 13 7.132 16.172 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 13 7.843 13.543 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.665 14.641 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.245 13.738 0.974 1.00 0.00 H new ATOM 163 N LEU A 14 5.067 14.502 -1.832 1.00 0.00 N ATOM 164 CA LEU A 14 3.630 14.258 -1.882 1.00 0.00 C ATOM 165 C LEU A 14 3.325 12.766 -1.978 1.00 0.00 C ATOM 166 O LEU A 14 2.514 12.238 -1.218 1.00 0.00 O ATOM 167 CB LEU A 14 3.008 14.994 -3.069 1.00 0.00 C ATOM 168 CG LEU A 14 1.774 15.833 -2.735 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.769 17.119 -3.546 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.504 15.036 -2.988 1.00 0.00 C ATOM 0 H LEU A 14 5.381 15.288 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 14 3.195 14.636 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.763 15.645 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.736 14.262 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 14 1.810 16.094 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.884 17.704 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.663 17.698 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.756 16.879 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.364 15.648 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.460 14.745 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.504 14.143 -2.363 1.00 0.00 H new ATOM 182 N CYS A 15 3.978 12.095 -2.918 1.00 0.00 N ATOM 183 CA CYS A 15 3.775 10.663 -3.118 1.00 0.00 C ATOM 184 C CYS A 15 4.136 9.876 -1.862 1.00 0.00 C ATOM 185 O CYS A 15 3.796 8.700 -1.733 1.00 0.00 O ATOM 186 CB CYS A 15 4.610 10.165 -4.300 1.00 0.00 C ATOM 187 SG CYS A 15 4.041 8.579 -4.992 1.00 0.00 S ATOM 0 H CYS A 15 4.653 12.518 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 15 2.719 10.503 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.594 10.920 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.647 10.059 -3.980 1.00 0.00 H new ATOM 192 N GLY A 16 4.825 10.535 -0.938 1.00 0.00 N ATOM 193 CA GLY A 16 5.220 9.891 0.299 1.00 0.00 C ATOM 194 C GLY A 16 6.371 8.919 0.114 1.00 0.00 C ATOM 195 O GLY A 16 6.860 8.339 1.084 1.00 0.00 O ATOM 0 H GLY A 16 5.118 11.508 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.506 10.652 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.365 9.359 0.716 1.00 0.00 H new ATOM 199 N ARG A 17 6.807 8.740 -1.129 1.00 0.00 N ATOM 200 CA ARG A 17 7.909 7.831 -1.429 1.00 0.00 C ATOM 201 C ARG A 17 8.159 7.750 -2.932 1.00 0.00 C ATOM 202 O ARG A 17 9.295 7.578 -3.373 1.00 0.00 O ATOM 203 CB ARG A 17 7.613 6.435 -0.876 1.00 0.00 C ATOM 204 CG ARG A 17 8.862 5.632 -0.553 1.00 0.00 C ATOM 205 CD ARG A 17 9.456 6.042 0.785 1.00 0.00 C ATOM 206 NE ARG A 17 10.731 5.379 1.044 1.00 0.00 N ATOM 207 CZ ARG A 17 11.440 5.556 2.154 1.00 0.00 C ATOM 208 NH1 ARG A 17 11.001 6.373 3.101 1.00 0.00 N ATOM 209 NH2 ARG A 17 12.591 4.917 2.317 1.00 0.00 N ATOM 0 H ARG A 17 6.415 9.211 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 17 8.807 8.223 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.009 6.531 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.015 5.885 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.618 4.570 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.602 5.775 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.599 7.122 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.753 5.801 1.583 1.00 0.00 H new ATOM 0 HE ARG A 17 11.098 4.745 0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.117 6.867 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.547 6.507 3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.933 4.289 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.134 5.054 3.169 1.00 0.00 H new ATOM 223 N GLY A 18 7.091 7.867 -3.711 1.00 0.00 N ATOM 224 CA GLY A 18 7.215 7.797 -5.156 1.00 0.00 C ATOM 225 C GLY A 18 7.553 9.134 -5.784 1.00 0.00 C ATOM 226 O GLY A 18 8.364 9.893 -5.253 1.00 0.00 O ATOM 0 H GLY A 18 6.141 8.009 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.988 7.074 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.280 7.429 -5.578 1.00 0.00 H new ATOM 230 N GLN A 19 6.933 9.418 -6.925 1.00 0.00 N ATOM 231 CA GLN A 19 7.172 10.665 -7.640 1.00 0.00 C ATOM 232 C GLN A 19 5.858 11.315 -8.061 1.00 0.00 C ATOM 233 O GLN A 19 5.191 10.846 -8.983 1.00 0.00 O ATOM 234 CB GLN A 19 8.038 10.402 -8.872 1.00 0.00 C ATOM 235 CG GLN A 19 9.431 9.894 -8.539 1.00 0.00 C ATOM 236 CD GLN A 19 10.484 10.408 -9.500 1.00 0.00 C ATOM 237 OE1 GLN A 19 11.208 11.356 -9.197 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.574 9.783 -10.669 1.00 0.00 N ATOM 0 H GLN A 19 6.259 8.798 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 19 7.693 11.348 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.537 9.673 -9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.124 11.323 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.691 10.197 -7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.430 8.804 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.953 9.001 -10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.264 10.085 -11.357 1.00 0.00 H new ATOM 247 N CYS A 20 5.489 12.396 -7.383 1.00 0.00 N ATOM 248 CA CYS A 20 4.251 13.102 -7.693 1.00 0.00 C ATOM 249 C CYS A 20 4.249 13.612 -9.131 1.00 0.00 C ATOM 250 O CYS A 20 5.301 13.887 -9.707 1.00 0.00 O ATOM 251 CB CYS A 20 4.045 14.270 -6.731 1.00 0.00 C ATOM 252 SG CYS A 20 2.586 15.291 -7.117 1.00 0.00 S ATOM 0 H CYS A 20 6.027 12.802 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 20 3.430 12.394 -7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.947 13.881 -5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.933 14.902 -6.745 1.00 0.00 H new ATOM 257 N VAL A 21 3.054 13.738 -9.699 1.00 0.00 N ATOM 258 CA VAL A 21 2.896 14.218 -11.066 1.00 0.00 C ATOM 259 C VAL A 21 1.715 15.177 -11.175 1.00 0.00 C ATOM 260 O VAL A 21 0.859 15.227 -10.291 1.00 0.00 O ATOM 261 CB VAL A 21 2.691 13.050 -12.053 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.198 13.562 -13.400 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.979 12.258 -12.215 1.00 0.00 C ATOM 0 H VAL A 21 2.177 13.513 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 21 3.814 14.744 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 21 1.929 12.386 -11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.060 12.722 -14.080 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.248 14.080 -13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.932 14.251 -13.818 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.816 11.438 -12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.762 12.912 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.283 11.856 -11.249 1.00 0.00 H new ATOM 273 N ASN A 22 1.675 15.934 -12.265 1.00 0.00 N ATOM 274 CA ASN A 22 0.602 16.893 -12.494 1.00 0.00 C ATOM 275 C ASN A 22 -0.438 16.332 -13.460 1.00 0.00 C ATOM 276 O ASN A 22 -0.106 15.579 -14.375 1.00 0.00 O ATOM 277 CB ASN A 22 1.170 18.199 -13.048 1.00 0.00 C ATOM 278 CG ASN A 22 0.197 19.349 -12.913 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.343 19.843 -13.902 1.00 0.00 O ATOM 280 ND2 ASN A 22 -0.034 19.783 -11.681 1.00 0.00 N ATOM 0 H ASN A 22 2.375 15.902 -13.006 1.00 0.00 H new ATOM 0 HA ASN A 22 0.116 17.088 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.093 18.443 -12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.427 18.064 -14.099 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.681 20.556 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.436 19.344 -10.889 1.00 0.00 H new ATOM 287 N THR A 23 -1.697 16.710 -13.253 1.00 0.00 N ATOM 288 CA THR A 23 -2.782 16.249 -14.109 1.00 0.00 C ATOM 289 C THR A 23 -3.902 17.283 -14.176 1.00 0.00 C ATOM 290 O THR A 23 -4.172 17.984 -13.201 1.00 0.00 O ATOM 291 CB THR A 23 -3.363 14.911 -13.614 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.282 15.143 -12.539 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.253 13.981 -13.147 1.00 0.00 C ATOM 0 H THR A 23 -1.989 17.334 -12.500 1.00 0.00 H new ATOM 0 HA THR A 23 -2.361 16.105 -15.104 1.00 0.00 H new ATOM 0 HB THR A 23 -3.888 14.438 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.198 14.989 -12.852 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.686 13.042 -12.802 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.572 13.784 -13.974 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.705 14.450 -12.330 1.00 0.00 H new ATOM 301 N PRO A 24 -4.571 17.386 -15.332 1.00 0.00 N ATOM 302 CA PRO A 24 -5.669 18.334 -15.533 1.00 0.00 C ATOM 303 C PRO A 24 -6.700 18.259 -14.414 1.00 0.00 C ATOM 304 O PRO A 24 -7.457 17.293 -14.317 1.00 0.00 O ATOM 305 CB PRO A 24 -6.292 17.905 -16.871 1.00 0.00 C ATOM 306 CG PRO A 24 -5.656 16.596 -17.215 1.00 0.00 C ATOM 307 CD PRO A 24 -4.319 16.588 -16.534 1.00 0.00 C ATOM 0 HA PRO A 24 -5.318 19.366 -15.534 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.374 17.803 -16.784 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.103 18.647 -17.646 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.271 15.763 -16.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.544 16.489 -18.294 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.994 15.577 -16.289 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.543 17.029 -17.159 1.00 0.00 H new ATOM 315 N GLY A 25 -6.720 19.281 -13.564 1.00 0.00 N ATOM 316 CA GLY A 25 -7.657 19.305 -12.458 1.00 0.00 C ATOM 317 C GLY A 25 -7.437 18.154 -11.499 1.00 0.00 C ATOM 318 O GLY A 25 -8.391 17.547 -11.012 1.00 0.00 O ATOM 0 H GLY A 25 -6.104 20.092 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.558 20.248 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.675 19.264 -12.845 1.00 0.00 H new ATOM 322 N ASP A 26 -6.171 17.851 -11.233 1.00 0.00 N ATOM 323 CA ASP A 26 -5.816 16.763 -10.332 1.00 0.00 C ATOM 324 C ASP A 26 -4.314 16.507 -10.359 1.00 0.00 C ATOM 325 O ASP A 26 -3.543 17.326 -10.863 1.00 0.00 O ATOM 326 CB ASP A 26 -6.569 15.490 -10.718 1.00 0.00 C ATOM 327 CG ASP A 26 -7.523 15.030 -9.633 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.362 15.469 -8.475 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.432 14.231 -9.942 1.00 0.00 O ATOM 0 H ASP A 26 -5.372 18.346 -11.630 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.100 17.052 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.127 15.666 -11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.852 14.696 -10.927 1.00 0.00 H new ATOM 334 N PHE A 27 -3.902 15.368 -9.812 1.00 0.00 N ATOM 335 CA PHE A 27 -2.491 15.010 -9.773 1.00 0.00 C ATOM 336 C PHE A 27 -2.308 13.557 -9.343 1.00 0.00 C ATOM 337 O PHE A 27 -3.128 13.008 -8.608 1.00 0.00 O ATOM 338 CB PHE A 27 -1.742 15.936 -8.811 1.00 0.00 C ATOM 339 CG PHE A 27 -1.804 15.487 -7.379 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.836 15.904 -6.553 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.834 14.644 -6.861 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.899 15.490 -5.237 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.892 14.226 -5.545 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.925 14.649 -4.732 1.00 0.00 C ATOM 0 H PHE A 27 -4.525 14.679 -9.391 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.082 15.125 -10.777 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.698 16.000 -9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.159 16.940 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.600 16.560 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.024 14.310 -7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.708 15.823 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.130 13.569 -5.153 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.972 14.323 -3.703 1.00 0.00 H new ATOM 354 N GLU A 28 -1.222 12.946 -9.801 1.00 0.00 N ATOM 355 CA GLU A 28 -0.919 11.561 -9.461 1.00 0.00 C ATOM 356 C GLU A 28 0.526 11.439 -8.996 1.00 0.00 C ATOM 357 O GLU A 28 1.203 12.444 -8.792 1.00 0.00 O ATOM 358 CB GLU A 28 -1.162 10.650 -10.665 1.00 0.00 C ATOM 359 CG GLU A 28 -0.391 11.065 -11.908 1.00 0.00 C ATOM 360 CD GLU A 28 -0.904 10.391 -13.165 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.904 9.649 -13.074 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.304 10.604 -14.240 1.00 0.00 O ATOM 0 H GLU A 28 -0.535 13.389 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.579 11.250 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.885 9.630 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.228 10.642 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.457 12.146 -12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.663 10.823 -11.775 1.00 0.00 H new ATOM 369 N CYS A 29 0.999 10.209 -8.829 1.00 0.00 N ATOM 370 CA CYS A 29 2.371 9.987 -8.390 1.00 0.00 C ATOM 371 C CYS A 29 2.804 8.542 -8.605 1.00 0.00 C ATOM 372 O CYS A 29 1.989 7.621 -8.565 1.00 0.00 O ATOM 373 CB CYS A 29 2.530 10.368 -6.916 1.00 0.00 C ATOM 374 SG CYS A 29 2.206 9.010 -5.744 1.00 0.00 S ATOM 0 H CYS A 29 0.459 9.359 -8.989 1.00 0.00 H new ATOM 0 HA CYS A 29 3.015 10.624 -8.996 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.544 10.735 -6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.854 11.193 -6.692 1.00 0.00 H new ATOM 379 N LYS A 30 4.101 8.358 -8.821 1.00 0.00 N ATOM 380 CA LYS A 30 4.669 7.034 -9.030 1.00 0.00 C ATOM 381 C LYS A 30 5.252 6.501 -7.726 1.00 0.00 C ATOM 382 O LYS A 30 6.455 6.599 -7.486 1.00 0.00 O ATOM 383 CB LYS A 30 5.756 7.091 -10.104 1.00 0.00 C ATOM 384 CG LYS A 30 6.170 5.728 -10.633 1.00 0.00 C ATOM 385 CD LYS A 30 6.598 4.797 -9.510 1.00 0.00 C ATOM 386 CE LYS A 30 7.216 3.518 -10.052 1.00 0.00 C ATOM 387 NZ LYS A 30 6.581 3.092 -11.329 1.00 0.00 N ATOM 0 H LYS A 30 4.783 9.116 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 30 3.878 6.362 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.400 7.700 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.633 7.592 -9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.339 5.282 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.990 5.846 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.317 5.306 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.735 4.552 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.284 3.670 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.113 2.724 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.827 2.101 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.548 3.183 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.924 3.694 -12.105 1.00 0.00 H new ATOM 401 N CYS A 31 4.387 5.953 -6.880 1.00 0.00 N ATOM 402 CA CYS A 31 4.811 5.422 -5.590 1.00 0.00 C ATOM 403 C CYS A 31 6.091 4.601 -5.721 1.00 0.00 C ATOM 404 O CYS A 31 6.585 4.370 -6.824 1.00 0.00 O ATOM 405 CB CYS A 31 3.705 4.566 -4.965 1.00 0.00 C ATOM 406 SG CYS A 31 3.130 5.135 -3.325 1.00 0.00 S ATOM 0 H CYS A 31 3.388 5.865 -7.064 1.00 0.00 H new ATOM 0 HA CYS A 31 5.013 6.271 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.854 4.544 -5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.066 3.542 -4.873 1.00 0.00 H new ATOM 411 N ASP A 32 6.622 4.170 -4.582 1.00 0.00 N ATOM 412 CA ASP A 32 7.847 3.380 -4.554 1.00 0.00 C ATOM 413 C ASP A 32 7.646 2.017 -5.215 1.00 0.00 C ATOM 414 O ASP A 32 7.763 1.886 -6.434 1.00 0.00 O ATOM 415 CB ASP A 32 8.323 3.200 -3.111 1.00 0.00 C ATOM 416 CG ASP A 32 9.530 2.290 -3.008 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.477 2.467 -3.803 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.531 1.400 -2.132 1.00 0.00 O ATOM 0 H ASP A 32 6.221 4.356 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 32 8.608 3.918 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.569 4.174 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.510 2.789 -2.512 1.00 0.00 H new ATOM 423 N GLU A 33 7.349 1.004 -4.405 1.00 0.00 N ATOM 424 CA GLU A 33 7.139 -0.347 -4.915 1.00 0.00 C ATOM 425 C GLU A 33 5.694 -0.787 -4.710 1.00 0.00 C ATOM 426 O GLU A 33 4.894 -0.787 -5.645 1.00 0.00 O ATOM 427 CB GLU A 33 8.093 -1.325 -4.221 1.00 0.00 C ATOM 428 CG GLU A 33 7.588 -2.759 -4.184 1.00 0.00 C ATOM 429 CD GLU A 33 8.703 -3.765 -3.980 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.877 -3.346 -3.915 1.00 0.00 O ATOM 431 OE2 GLU A 33 8.401 -4.973 -3.884 1.00 0.00 O ATOM 0 H GLU A 33 7.249 1.093 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 33 7.346 -0.346 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.055 -1.302 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.266 -0.985 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.859 -2.863 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.069 -2.982 -5.116 1.00 0.00 H new ATOM 438 N GLY A 34 5.367 -1.157 -3.478 1.00 0.00 N ATOM 439 CA GLY A 34 4.024 -1.588 -3.165 1.00 0.00 C ATOM 440 C GLY A 34 3.249 -0.521 -2.428 1.00 0.00 C ATOM 441 O GLY A 34 2.114 -0.741 -2.020 1.00 0.00 O ATOM 0 H GLY A 34 6.013 -1.165 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.501 -1.846 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.065 -2.492 -2.558 1.00 0.00 H new ATOM 445 N TYR A 35 3.860 0.643 -2.259 1.00 0.00 N ATOM 446 CA TYR A 35 3.209 1.744 -1.568 1.00 0.00 C ATOM 447 C TYR A 35 2.070 2.300 -2.415 1.00 0.00 C ATOM 448 O TYR A 35 2.232 2.539 -3.611 1.00 0.00 O ATOM 449 CB TYR A 35 4.219 2.847 -1.256 1.00 0.00 C ATOM 450 CG TYR A 35 5.266 2.439 -0.244 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.081 1.328 0.568 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.442 3.167 -0.101 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.036 0.952 1.494 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.402 2.798 0.821 1.00 0.00 C ATOM 455 CZ TYR A 35 7.194 1.690 1.617 1.00 0.00 C ATOM 456 OH TYR A 35 8.149 1.321 2.537 1.00 0.00 O ATOM 0 H TYR A 35 4.803 0.848 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 35 2.799 1.370 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.715 3.146 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.686 3.722 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.175 0.747 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.608 4.036 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.876 0.085 2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.311 3.374 0.918 1.00 0.00 H new ATOM 0 HH TYR A 35 8.903 1.946 2.494 1.00 0.00 H new ATOM 466 N GLU A 36 0.917 2.501 -1.789 1.00 0.00 N ATOM 467 CA GLU A 36 -0.246 3.024 -2.491 1.00 0.00 C ATOM 468 C GLU A 36 -0.258 4.550 -2.444 1.00 0.00 C ATOM 469 O GLU A 36 -0.125 5.151 -1.378 1.00 0.00 O ATOM 470 CB GLU A 36 -1.533 2.446 -1.889 1.00 0.00 C ATOM 471 CG GLU A 36 -2.219 3.359 -0.884 1.00 0.00 C ATOM 472 CD GLU A 36 -3.578 2.838 -0.461 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.579 3.186 -1.121 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.641 2.078 0.529 1.00 0.00 O ATOM 0 H GLU A 36 0.763 2.310 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.191 2.720 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.231 2.225 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.299 1.499 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.585 3.467 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.333 4.352 -1.319 1.00 0.00 H new ATOM 481 N SER A 37 -0.403 5.165 -3.613 1.00 0.00 N ATOM 482 CA SER A 37 -0.415 6.615 -3.720 1.00 0.00 C ATOM 483 C SER A 37 -1.800 7.187 -3.443 1.00 0.00 C ATOM 484 O SER A 37 -2.615 7.336 -4.354 1.00 0.00 O ATOM 485 CB SER A 37 0.055 7.042 -5.112 1.00 0.00 C ATOM 486 OG SER A 37 -0.684 6.382 -6.124 1.00 0.00 O ATOM 0 H SER A 37 -0.514 4.677 -4.502 1.00 0.00 H new ATOM 0 HA SER A 37 0.268 7.009 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.056 8.121 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.115 6.817 -5.226 1.00 0.00 H new ATOM 0 HG SER A 37 -1.632 6.359 -5.875 1.00 0.00 H new ATOM 492 N GLY A 38 -2.057 7.515 -2.182 1.00 0.00 N ATOM 493 CA GLY A 38 -3.339 8.078 -1.811 1.00 0.00 C ATOM 494 C GLY A 38 -4.310 7.037 -1.299 1.00 0.00 C ATOM 495 O GLY A 38 -5.228 6.628 -2.010 1.00 0.00 O ATOM 0 H GLY A 38 -1.399 7.401 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.189 8.837 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.774 8.580 -2.675 1.00 0.00 H new ATOM 499 N PHE A 39 -4.108 6.613 -0.059 1.00 0.00 N ATOM 500 CA PHE A 39 -4.976 5.617 0.556 1.00 0.00 C ATOM 501 C PHE A 39 -6.194 6.283 1.182 1.00 0.00 C ATOM 502 O PHE A 39 -7.199 5.629 1.462 1.00 0.00 O ATOM 503 CB PHE A 39 -4.208 4.828 1.616 1.00 0.00 C ATOM 504 CG PHE A 39 -4.966 3.645 2.147 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.898 2.992 1.358 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.747 3.189 3.437 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.598 1.904 1.845 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.444 2.102 3.930 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.370 1.459 3.132 1.00 0.00 C ATOM 0 H PHE A 39 -3.352 6.942 0.541 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.315 4.930 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.265 4.484 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.960 5.492 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.080 3.337 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.024 3.689 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.322 1.403 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.265 1.756 4.937 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.915 0.609 3.514 1.00 0.00 H new ATOM 519 N MET A 40 -6.090 7.589 1.401 1.00 0.00 N ATOM 520 CA MET A 40 -7.171 8.362 1.996 1.00 0.00 C ATOM 521 C MET A 40 -6.622 9.620 2.652 1.00 0.00 C ATOM 522 O MET A 40 -7.255 10.676 2.629 1.00 0.00 O ATOM 523 CB MET A 40 -7.920 7.526 3.033 1.00 0.00 C ATOM 524 CG MET A 40 -7.019 6.611 3.844 1.00 0.00 C ATOM 525 SD MET A 40 -7.045 6.993 5.606 1.00 0.00 S ATOM 526 CE MET A 40 -8.736 6.572 6.019 1.00 0.00 C ATOM 0 H MET A 40 -5.261 8.137 1.173 1.00 0.00 H new ATOM 0 HA MET A 40 -7.864 8.646 1.204 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.450 8.194 3.712 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.673 6.923 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.330 5.577 3.696 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.997 6.693 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.834 6.479 7.101 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.404 7.355 5.660 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.001 5.625 5.548 1.00 0.00 H new ATOM 536 N MET A 41 -5.436 9.495 3.234 1.00 0.00 N ATOM 537 CA MET A 41 -4.788 10.621 3.899 1.00 0.00 C ATOM 538 C MET A 41 -4.548 11.756 2.914 1.00 0.00 C ATOM 539 O MET A 41 -4.768 12.926 3.227 1.00 0.00 O ATOM 540 CB MET A 41 -3.457 10.191 4.521 1.00 0.00 C ATOM 541 CG MET A 41 -2.797 9.015 3.820 1.00 0.00 C ATOM 542 SD MET A 41 -3.225 7.432 4.567 1.00 0.00 S ATOM 543 CE MET A 41 -1.887 7.238 5.741 1.00 0.00 C ATOM 0 H MET A 41 -4.902 8.626 3.260 1.00 0.00 H new ATOM 0 HA MET A 41 -5.451 10.970 4.691 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.772 11.039 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.624 9.930 5.566 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.094 9.009 2.771 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.715 9.143 3.845 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.040 6.328 6.320 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.940 7.172 5.206 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.865 8.096 6.413 1.00 0.00 H new ATOM 553 N MET A 42 -4.092 11.396 1.722 1.00 0.00 N ATOM 554 CA MET A 42 -3.814 12.376 0.680 1.00 0.00 C ATOM 555 C MET A 42 -3.294 11.698 -0.584 1.00 0.00 C ATOM 556 O MET A 42 -4.065 11.371 -1.486 1.00 0.00 O ATOM 557 CB MET A 42 -2.796 13.402 1.178 1.00 0.00 C ATOM 558 CG MET A 42 -1.793 12.832 2.168 1.00 0.00 C ATOM 559 SD MET A 42 -1.921 13.589 3.799 1.00 0.00 S ATOM 560 CE MET A 42 -1.179 15.189 3.489 1.00 0.00 C ATOM 0 H MET A 42 -3.906 10.430 1.452 1.00 0.00 H new ATOM 0 HA MET A 42 -4.747 12.885 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.258 13.812 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.327 14.230 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.948 11.757 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.784 12.978 1.782 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.185 15.777 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.152 15.054 3.151 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.749 15.711 2.720 1.00 0.00 H new ATOM 570 N LYS A 43 -1.983 11.493 -0.642 1.00 0.00 N ATOM 571 CA LYS A 43 -1.358 10.858 -1.797 1.00 0.00 C ATOM 572 C LYS A 43 0.028 10.326 -1.445 1.00 0.00 C ATOM 573 O LYS A 43 0.930 10.321 -2.282 1.00 0.00 O ATOM 574 CB LYS A 43 -1.254 11.856 -2.954 1.00 0.00 C ATOM 575 CG LYS A 43 -1.880 11.361 -4.248 1.00 0.00 C ATOM 576 CD LYS A 43 -1.191 10.106 -4.753 1.00 0.00 C ATOM 577 CE LYS A 43 -1.930 9.505 -5.940 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.391 9.785 -5.883 1.00 0.00 N ATOM 0 H LYS A 43 -1.332 11.757 0.097 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.982 10.017 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.736 12.789 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.203 12.083 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.939 11.157 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.818 12.142 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.167 10.343 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.134 9.372 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.519 9.908 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.767 8.427 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.877 9.249 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.763 9.500 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.555 10.802 -6.025 1.00 0.00 H new ATOM 592 N ASN A 44 0.193 9.884 -0.202 1.00 0.00 N ATOM 593 CA ASN A 44 1.469 9.355 0.260 1.00 0.00 C ATOM 594 C ASN A 44 1.694 7.936 -0.250 1.00 0.00 C ATOM 595 O ASN A 44 0.900 7.411 -1.031 1.00 0.00 O ATOM 596 CB ASN A 44 1.528 9.377 1.789 1.00 0.00 C ATOM 597 CG ASN A 44 0.833 8.182 2.413 1.00 0.00 C ATOM 598 OD1 ASN A 44 1.180 7.752 3.513 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.154 7.638 1.711 1.00 0.00 N ATOM 0 H ASN A 44 -0.544 9.882 0.504 1.00 0.00 H new ATOM 0 HA ASN A 44 2.260 9.990 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.570 9.396 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.066 10.294 2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.658 6.831 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.409 8.027 0.803 1.00 0.00 H new ATOM 606 N CYS A 45 2.783 7.320 0.199 1.00 0.00 N ATOM 607 CA CYS A 45 3.120 5.960 -0.206 1.00 0.00 C ATOM 608 C CYS A 45 2.969 4.997 0.965 1.00 0.00 C ATOM 609 O CYS A 45 3.775 5.006 1.895 1.00 0.00 O ATOM 610 CB CYS A 45 4.556 5.909 -0.733 1.00 0.00 C ATOM 611 SG CYS A 45 4.714 6.134 -2.535 1.00 0.00 S ATOM 0 H CYS A 45 3.449 7.743 0.846 1.00 0.00 H new ATOM 0 HA CYS A 45 2.434 5.659 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.140 6.681 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.995 4.949 -0.460 1.00 0.00 H new ATOM 616 N MET A 46 1.934 4.165 0.918 1.00 0.00 N ATOM 617 CA MET A 46 1.689 3.202 1.985 1.00 0.00 C ATOM 618 C MET A 46 1.194 1.867 1.433 1.00 0.00 C ATOM 619 O MET A 46 0.074 1.776 0.931 1.00 0.00 O ATOM 620 CB MET A 46 0.674 3.765 2.981 1.00 0.00 C ATOM 621 CG MET A 46 -0.710 3.973 2.391 1.00 0.00 C ATOM 622 SD MET A 46 -1.831 4.800 3.534 1.00 0.00 S ATOM 623 CE MET A 46 -1.617 3.799 5.003 1.00 0.00 C ATOM 0 H MET A 46 1.255 4.138 0.157 1.00 0.00 H new ATOM 0 HA MET A 46 2.635 3.024 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.599 3.087 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.043 4.717 3.363 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.627 4.563 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.130 3.007 2.110 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.515 3.858 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.442 2.763 4.715 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.763 4.166 5.572 1.00 0.00 H new ATOM 633 N ASP A 47 2.052 0.846 1.537 1.00 0.00 N ATOM 634 CA ASP A 47 1.758 -0.513 1.069 1.00 0.00 C ATOM 635 C ASP A 47 0.318 -0.673 0.587 1.00 0.00 C ATOM 636 O ASP A 47 -0.633 -0.399 1.320 1.00 0.00 O ATOM 637 CB ASP A 47 2.052 -1.521 2.182 1.00 0.00 C ATOM 638 CG ASP A 47 0.875 -1.719 3.119 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.667 -0.857 3.999 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.163 -2.734 2.972 1.00 0.00 O ATOM 0 H ASP A 47 2.979 0.941 1.952 1.00 0.00 H new ATOM 0 HA ASP A 47 2.404 -0.704 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.322 -2.479 1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.915 -1.181 2.755 1.00 0.00 H new ATOM 645 N ILE A 48 0.175 -1.125 -0.652 1.00 0.00 N ATOM 646 CA ILE A 48 -1.131 -1.333 -1.259 1.00 0.00 C ATOM 647 C ILE A 48 -1.770 -2.624 -0.763 1.00 0.00 C ATOM 648 O ILE A 48 -1.237 -3.293 0.122 1.00 0.00 O ATOM 649 CB ILE A 48 -1.016 -1.385 -2.794 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.217 -2.196 -3.206 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.947 0.021 -3.369 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.061 -3.200 -4.303 1.00 0.00 C ATOM 0 H ILE A 48 0.959 -1.357 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.761 -0.492 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.903 -1.876 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.997 -1.512 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.605 -2.721 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.866 -0.033 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.850 0.569 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.076 0.537 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.856 -3.738 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.819 -3.907 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.420 -2.679 -5.190 1.00 0.00 H new ATOM 664 N ASP A 49 -2.914 -2.971 -1.342 1.00 0.00 N ATOM 665 CA ASP A 49 -3.624 -4.183 -0.958 1.00 0.00 C ATOM 666 C ASP A 49 -3.325 -5.317 -1.931 1.00 0.00 C ATOM 667 O ASP A 49 -4.176 -5.695 -2.736 1.00 0.00 O ATOM 668 CB ASP A 49 -5.132 -3.932 -0.913 1.00 0.00 C ATOM 669 CG ASP A 49 -5.900 -5.144 -0.422 1.00 0.00 C ATOM 670 OD1 ASP A 49 -5.322 -6.252 -0.421 1.00 0.00 O ATOM 671 OD2 ASP A 49 -7.079 -4.985 -0.041 1.00 0.00 O ATOM 0 H ASP A 49 -3.368 -2.430 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.280 -4.470 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.338 -3.084 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.483 -3.660 -1.908 1.00 0.00 H new ATOM 676 N GLU A 50 -2.116 -5.862 -1.852 1.00 0.00 N ATOM 677 CA GLU A 50 -1.723 -6.954 -2.725 1.00 0.00 C ATOM 678 C GLU A 50 -2.743 -8.082 -2.659 1.00 0.00 C ATOM 679 O GLU A 50 -2.847 -8.900 -3.572 1.00 0.00 O ATOM 680 CB GLU A 50 -0.346 -7.474 -2.330 1.00 0.00 C ATOM 681 CG GLU A 50 0.784 -6.508 -2.643 1.00 0.00 C ATOM 682 CD GLU A 50 1.161 -5.651 -1.450 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.074 -6.152 -0.309 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.541 -4.480 -1.655 1.00 0.00 O ATOM 0 H GLU A 50 -1.396 -5.565 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.681 -6.580 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.342 -7.690 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.161 -8.416 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.658 -7.070 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.488 -5.863 -3.471 1.00 0.00 H new ATOM 691 N CYS A 51 -3.501 -8.111 -1.568 1.00 0.00 N ATOM 692 CA CYS A 51 -4.523 -9.128 -1.374 1.00 0.00 C ATOM 693 C CYS A 51 -5.734 -8.841 -2.254 1.00 0.00 C ATOM 694 O CYS A 51 -6.635 -9.671 -2.384 1.00 0.00 O ATOM 695 CB CYS A 51 -4.949 -9.172 0.094 1.00 0.00 C ATOM 696 SG CYS A 51 -4.941 -10.838 0.826 1.00 0.00 S ATOM 0 H CYS A 51 -3.425 -7.439 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.106 -10.095 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.284 -8.530 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.952 -8.754 0.182 1.00 0.00 H new ATOM 701 N GLN A 52 -5.751 -7.652 -2.849 1.00 0.00 N ATOM 702 CA GLN A 52 -6.848 -7.237 -3.709 1.00 0.00 C ATOM 703 C GLN A 52 -6.354 -6.946 -5.122 1.00 0.00 C ATOM 704 O GLN A 52 -7.111 -7.044 -6.089 1.00 0.00 O ATOM 705 CB GLN A 52 -7.516 -5.994 -3.125 1.00 0.00 C ATOM 706 CG GLN A 52 -8.668 -6.310 -2.187 1.00 0.00 C ATOM 707 CD GLN A 52 -9.739 -5.237 -2.197 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.120 -4.732 -3.253 1.00 0.00 O ATOM 709 NE2 GLN A 52 -10.232 -4.882 -1.015 1.00 0.00 N ATOM 0 H GLN A 52 -5.011 -6.957 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.572 -8.050 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.770 -5.409 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.882 -5.371 -3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.112 -7.264 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.285 -6.426 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.887 -5.327 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.955 -4.165 -0.959 1.00 0.00 H new ATOM 718 N ARG A 53 -5.082 -6.586 -5.232 1.00 0.00 N ATOM 719 CA ARG A 53 -4.480 -6.275 -6.524 1.00 0.00 C ATOM 720 C ARG A 53 -4.729 -7.392 -7.533 1.00 0.00 C ATOM 721 O ARG A 53 -4.780 -7.149 -8.739 1.00 0.00 O ATOM 722 CB ARG A 53 -2.977 -6.045 -6.364 1.00 0.00 C ATOM 723 CG ARG A 53 -2.237 -5.920 -7.684 1.00 0.00 C ATOM 724 CD ARG A 53 -1.210 -7.028 -7.852 1.00 0.00 C ATOM 725 NE ARG A 53 -0.761 -7.155 -9.235 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.020 -6.242 -9.854 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.351 -5.141 -9.215 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.350 -6.429 -11.113 1.00 0.00 N ATOM 0 H ARG A 53 -4.445 -6.502 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.946 -5.365 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.817 -5.139 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.550 -6.871 -5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.950 -5.955 -8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.740 -4.951 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.352 -6.827 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.640 -7.974 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.031 -7.990 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.068 -4.994 -8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.920 -4.442 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.066 -7.274 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.919 -5.727 -11.587 1.00 0.00 H new ATOM 742 N ASP A 54 -4.879 -8.616 -7.037 1.00 0.00 N ATOM 743 CA ASP A 54 -5.116 -9.764 -7.904 1.00 0.00 C ATOM 744 C ASP A 54 -6.258 -10.628 -7.378 1.00 0.00 C ATOM 745 O ASP A 54 -6.430 -10.786 -6.169 1.00 0.00 O ATOM 746 CB ASP A 54 -3.844 -10.603 -8.030 1.00 0.00 C ATOM 747 CG ASP A 54 -3.028 -10.239 -9.255 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.261 -9.150 -9.820 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.158 -11.042 -9.649 1.00 0.00 O ATOM 0 H ASP A 54 -4.841 -8.838 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.398 -9.388 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.233 -10.468 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.112 -11.659 -8.076 1.00 0.00 H new ATOM 754 N PRO A 55 -7.051 -11.203 -8.294 1.00 0.00 N ATOM 755 CA PRO A 55 -8.180 -12.061 -7.947 1.00 0.00 C ATOM 756 C PRO A 55 -7.756 -13.510 -7.745 1.00 0.00 C ATOM 757 O PRO A 55 -8.558 -14.356 -7.346 1.00 0.00 O ATOM 758 CB PRO A 55 -9.081 -11.928 -9.170 1.00 0.00 C ATOM 759 CG PRO A 55 -8.140 -11.723 -10.312 1.00 0.00 C ATOM 760 CD PRO A 55 -6.902 -11.063 -9.751 1.00 0.00 C ATOM 0 HA PRO A 55 -8.656 -11.775 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.689 -12.821 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.768 -11.088 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.891 -12.674 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.596 -11.098 -11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.994 -11.550 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.840 -10.016 -10.047 1.00 0.00 H new ATOM 768 N LEU A 56 -6.485 -13.785 -8.017 1.00 0.00 N ATOM 769 CA LEU A 56 -5.936 -15.124 -7.865 1.00 0.00 C ATOM 770 C LEU A 56 -4.775 -15.112 -6.877 1.00 0.00 C ATOM 771 O LEU A 56 -4.141 -16.140 -6.633 1.00 0.00 O ATOM 772 CB LEU A 56 -5.467 -15.664 -9.217 1.00 0.00 C ATOM 773 CG LEU A 56 -6.351 -16.757 -9.821 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.824 -18.134 -9.450 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.794 -16.595 -9.366 1.00 0.00 C ATOM 0 H LEU A 56 -5.813 -13.092 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.720 -15.776 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.409 -14.835 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.457 -16.057 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.323 -16.659 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.465 -18.899 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.809 -18.250 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.820 -18.242 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.405 -17.382 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.843 -16.664 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.169 -15.623 -9.685 1.00 0.00 H new ATOM 787 N LEU A 57 -4.505 -13.943 -6.306 1.00 0.00 N ATOM 788 CA LEU A 57 -3.426 -13.798 -5.340 1.00 0.00 C ATOM 789 C LEU A 57 -3.616 -14.757 -4.173 1.00 0.00 C ATOM 790 O LEU A 57 -4.647 -14.737 -3.502 1.00 0.00 O ATOM 791 CB LEU A 57 -3.368 -12.358 -4.832 1.00 0.00 C ATOM 792 CG LEU A 57 -2.031 -11.943 -4.219 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.516 -10.671 -4.873 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.174 -11.756 -2.716 1.00 0.00 C ATOM 0 H LEU A 57 -5.019 -13.083 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.485 -14.040 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.595 -11.687 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.151 -12.220 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.305 -12.736 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.563 -10.391 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.378 -10.841 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.237 -9.868 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.214 -11.461 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.913 -10.981 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.498 -12.693 -2.262 1.00 0.00 H new ATOM 806 N CYS A 58 -2.618 -15.602 -3.942 1.00 0.00 N ATOM 807 CA CYS A 58 -2.684 -16.573 -2.860 1.00 0.00 C ATOM 808 C CYS A 58 -4.001 -17.334 -2.917 1.00 0.00 C ATOM 809 O CYS A 58 -4.488 -17.839 -1.906 1.00 0.00 O ATOM 810 CB CYS A 58 -2.523 -15.871 -1.511 1.00 0.00 C ATOM 811 SG CYS A 58 -0.900 -15.072 -1.296 1.00 0.00 S ATOM 0 H CYS A 58 -1.757 -15.633 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.869 -17.287 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.306 -15.120 -1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.670 -16.598 -0.712 1.00 0.00 H new ATOM 816 N ARG A 59 -4.566 -17.413 -4.118 1.00 0.00 N ATOM 817 CA ARG A 59 -5.824 -18.112 -4.339 1.00 0.00 C ATOM 818 C ARG A 59 -5.666 -19.603 -4.061 1.00 0.00 C ATOM 819 O ARG A 59 -5.842 -20.435 -4.951 1.00 0.00 O ATOM 820 CB ARG A 59 -6.294 -17.894 -5.778 1.00 0.00 C ATOM 821 CG ARG A 59 -7.792 -18.047 -5.965 1.00 0.00 C ATOM 822 CD ARG A 59 -8.139 -19.383 -6.602 1.00 0.00 C ATOM 823 NE ARG A 59 -9.262 -20.034 -5.932 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.470 -19.490 -5.824 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.708 -18.290 -6.337 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.441 -20.145 -5.203 1.00 0.00 N ATOM 0 H ARG A 59 -4.167 -16.997 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.570 -17.711 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.998 -16.895 -6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.782 -18.603 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.291 -17.962 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.167 -17.236 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.383 -19.231 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.268 -20.038 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.111 -20.957 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.963 -17.783 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.636 -17.874 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.262 -21.068 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.367 -19.726 -5.121 1.00 0.00 H new ATOM 840 N GLY A 60 -5.327 -19.930 -2.820 1.00 0.00 N ATOM 841 CA GLY A 60 -5.142 -21.317 -2.438 1.00 0.00 C ATOM 842 C GLY A 60 -4.157 -21.470 -1.298 1.00 0.00 C ATOM 843 O GLY A 60 -4.108 -22.512 -0.645 1.00 0.00 O ATOM 0 H GLY A 60 -5.176 -19.257 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.102 -21.743 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.790 -21.885 -3.299 1.00 0.00 H new ATOM 847 N GLY A 61 -3.371 -20.424 -1.058 1.00 0.00 N ATOM 848 CA GLY A 61 -2.391 -20.460 0.011 1.00 0.00 C ATOM 849 C GLY A 61 -2.674 -19.435 1.091 1.00 0.00 C ATOM 850 O GLY A 61 -3.737 -19.452 1.711 1.00 0.00 O ATOM 0 H GLY A 61 -3.396 -19.552 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.377 -21.456 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.399 -20.282 -0.404 1.00 0.00 H new ATOM 854 N VAL A 62 -1.719 -18.540 1.314 1.00 0.00 N ATOM 855 CA VAL A 62 -1.865 -17.500 2.323 1.00 0.00 C ATOM 856 C VAL A 62 -1.359 -16.162 1.802 1.00 0.00 C ATOM 857 O VAL A 62 -0.300 -16.086 1.180 1.00 0.00 O ATOM 858 CB VAL A 62 -1.109 -17.851 3.616 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.113 -16.666 4.570 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.717 -19.080 4.275 1.00 0.00 C ATOM 0 H VAL A 62 -0.834 -18.514 0.808 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.929 -17.427 2.547 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.074 -18.082 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.574 -16.930 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.627 -15.814 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.141 -16.404 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.169 -19.312 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.761 -18.883 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.658 -19.927 3.591 1.00 0.00 H new ATOM 870 N CYS A 63 -2.126 -15.112 2.058 1.00 0.00 N ATOM 871 CA CYS A 63 -1.763 -13.774 1.612 1.00 0.00 C ATOM 872 C CYS A 63 -1.291 -12.913 2.782 1.00 0.00 C ATOM 873 O CYS A 63 -2.093 -12.264 3.452 1.00 0.00 O ATOM 874 CB CYS A 63 -2.959 -13.121 0.911 1.00 0.00 C ATOM 875 SG CYS A 63 -2.968 -11.300 0.954 1.00 0.00 S ATOM 0 H CYS A 63 -3.005 -15.161 2.573 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.936 -13.856 0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.974 -13.446 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.877 -13.486 1.373 1.00 0.00 H new ATOM 880 N HIS A 64 0.020 -12.912 3.014 1.00 0.00 N ATOM 881 CA HIS A 64 0.606 -12.129 4.097 1.00 0.00 C ATOM 882 C HIS A 64 0.973 -10.728 3.614 1.00 0.00 C ATOM 883 O HIS A 64 2.138 -10.333 3.657 1.00 0.00 O ATOM 884 CB HIS A 64 1.856 -12.822 4.644 1.00 0.00 C ATOM 885 CG HIS A 64 1.631 -14.243 5.059 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.149 -15.319 4.370 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.950 -14.763 6.108 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.797 -16.439 4.975 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.070 -16.128 6.033 1.00 0.00 N ATOM 0 H HIS A 64 0.696 -13.445 2.466 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.136 -12.048 4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.636 -12.795 3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.226 -12.258 5.500 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.716 -15.259 3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.413 -14.207 6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.059 -17.438 4.659 1.00 0.00 H new ATOM 898 N ASN A 65 -0.025 -9.982 3.152 1.00 0.00 N ATOM 899 CA ASN A 65 0.203 -8.627 2.660 1.00 0.00 C ATOM 900 C ASN A 65 0.983 -7.801 3.678 1.00 0.00 C ATOM 901 O ASN A 65 0.478 -7.478 4.752 1.00 0.00 O ATOM 902 CB ASN A 65 -1.126 -7.941 2.336 1.00 0.00 C ATOM 903 CG ASN A 65 -0.941 -6.500 1.901 1.00 0.00 C ATOM 904 OD1 ASN A 65 -0.087 -5.786 2.427 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.740 -6.066 0.934 1.00 0.00 N ATOM 0 H ASN A 65 -0.996 -10.291 3.108 1.00 0.00 H new ATOM 0 HA ASN A 65 0.794 -8.698 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.634 -8.494 1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.772 -7.973 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.660 -5.106 0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.434 -6.692 0.526 1.00 0.00 H new ATOM 912 N THR A 66 2.220 -7.465 3.327 1.00 0.00 N ATOM 913 CA THR A 66 3.079 -6.677 4.202 1.00 0.00 C ATOM 914 C THR A 66 3.259 -5.262 3.663 1.00 0.00 C ATOM 915 O THR A 66 2.479 -4.800 2.829 1.00 0.00 O ATOM 916 CB THR A 66 4.463 -7.330 4.367 1.00 0.00 C ATOM 917 OG1 THR A 66 5.416 -6.687 3.511 1.00 0.00 O ATOM 918 CG2 THR A 66 4.406 -8.816 4.043 1.00 0.00 C ATOM 0 H THR A 66 2.650 -7.727 2.440 1.00 0.00 H new ATOM 0 HA THR A 66 2.588 -6.635 5.174 1.00 0.00 H new ATOM 0 HB THR A 66 4.771 -7.213 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.294 -7.108 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.396 -9.254 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.704 -9.309 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.076 -8.951 3.013 1.00 0.00 H new ATOM 926 N GLU A 67 4.291 -4.578 4.145 1.00 0.00 N ATOM 927 CA GLU A 67 4.574 -3.215 3.711 1.00 0.00 C ATOM 928 C GLU A 67 5.498 -3.206 2.498 1.00 0.00 C ATOM 929 O GLU A 67 6.554 -3.840 2.504 1.00 0.00 O ATOM 930 CB GLU A 67 5.206 -2.417 4.854 1.00 0.00 C ATOM 931 CG GLU A 67 4.260 -1.410 5.488 1.00 0.00 C ATOM 932 CD GLU A 67 4.932 -0.575 6.561 1.00 0.00 C ATOM 933 OE1 GLU A 67 5.803 0.250 6.212 1.00 0.00 O ATOM 934 OE2 GLU A 67 4.589 -0.747 7.749 1.00 0.00 O ATOM 0 H GLU A 67 4.945 -4.945 4.836 1.00 0.00 H new ATOM 0 HA GLU A 67 3.631 -2.749 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.554 -3.109 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.084 -1.892 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.865 -0.751 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.411 -1.938 5.922 1.00 0.00 H new ATOM 941 N GLY A 68 5.093 -2.483 1.459 1.00 0.00 N ATOM 942 CA GLY A 68 5.896 -2.402 0.252 1.00 0.00 C ATOM 943 C GLY A 68 5.980 -3.725 -0.483 1.00 0.00 C ATOM 944 O GLY A 68 6.947 -3.982 -1.199 1.00 0.00 O ATOM 0 H GLY A 68 4.223 -1.951 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.472 -1.648 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.901 -2.070 0.511 1.00 0.00 H new ATOM 948 N SER A 69 4.965 -4.566 -0.304 1.00 0.00 N ATOM 949 CA SER A 69 4.928 -5.870 -0.958 1.00 0.00 C ATOM 950 C SER A 69 4.001 -6.826 -0.213 1.00 0.00 C ATOM 951 O SER A 69 3.359 -6.445 0.767 1.00 0.00 O ATOM 952 CB SER A 69 6.335 -6.467 -1.034 1.00 0.00 C ATOM 953 OG SER A 69 6.285 -7.862 -1.282 1.00 0.00 O ATOM 0 H SER A 69 4.158 -4.368 0.288 1.00 0.00 H new ATOM 0 HA SER A 69 4.544 -5.730 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.900 -5.974 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.864 -6.279 -0.100 1.00 0.00 H new ATOM 0 HG SER A 69 7.197 -8.219 -1.328 1.00 0.00 H new ATOM 959 N TYR A 70 3.937 -8.067 -0.682 1.00 0.00 N ATOM 960 CA TYR A 70 3.090 -9.076 -0.058 1.00 0.00 C ATOM 961 C TYR A 70 3.723 -10.456 -0.168 1.00 0.00 C ATOM 962 O TYR A 70 4.420 -10.755 -1.138 1.00 0.00 O ATOM 963 CB TYR A 70 1.698 -9.060 -0.694 1.00 0.00 C ATOM 964 CG TYR A 70 1.524 -10.004 -1.860 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.070 -9.712 -3.102 1.00 0.00 C ATOM 966 CD2 TYR A 70 0.796 -11.177 -1.721 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.899 -10.568 -4.174 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.619 -12.038 -2.787 1.00 0.00 C ATOM 969 CZ TYR A 70 1.174 -11.729 -4.011 1.00 0.00 C ATOM 970 OH TYR A 70 0.999 -12.584 -5.075 1.00 0.00 O ATOM 0 H TYR A 70 4.461 -8.398 -1.492 1.00 0.00 H new ATOM 0 HA TYR A 70 2.989 -8.840 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.962 -9.309 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.479 -8.046 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.637 -8.802 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.360 -11.421 -0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.331 -10.328 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.050 -12.947 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 70 1.233 -13.496 -4.804 1.00 0.00 H new ATOM 980 N ARG A 71 3.492 -11.291 0.840 1.00 0.00 N ATOM 981 CA ARG A 71 4.059 -12.633 0.860 1.00 0.00 C ATOM 982 C ARG A 71 2.987 -13.697 0.658 1.00 0.00 C ATOM 983 O ARG A 71 2.037 -13.794 1.434 1.00 0.00 O ATOM 984 CB ARG A 71 4.788 -12.877 2.183 1.00 0.00 C ATOM 985 CG ARG A 71 5.100 -11.602 2.950 1.00 0.00 C ATOM 986 CD ARG A 71 6.242 -10.832 2.309 1.00 0.00 C ATOM 987 NE ARG A 71 7.378 -11.693 1.999 1.00 0.00 N ATOM 988 CZ ARG A 71 8.147 -12.259 2.924 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.901 -12.052 4.210 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.164 -13.030 2.563 1.00 0.00 N ATOM 0 H ARG A 71 2.918 -11.062 1.651 1.00 0.00 H new ATOM 0 HA ARG A 71 4.767 -12.706 0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.178 -13.528 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.719 -13.408 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.211 -10.972 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.359 -11.850 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.889 -10.355 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.564 -10.036 2.980 1.00 0.00 H new ATOM 0 HE ARG A 71 7.594 -11.871 1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.121 -11.458 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.492 -12.487 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.357 -13.189 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.753 -13.463 3.274 1.00 0.00 H new ATOM 1004 N CYS A 72 3.158 -14.499 -0.386 1.00 0.00 N ATOM 1005 CA CYS A 72 2.220 -15.569 -0.693 1.00 0.00 C ATOM 1006 C CYS A 72 2.766 -16.902 -0.187 1.00 0.00 C ATOM 1007 O CYS A 72 3.931 -17.229 -0.415 1.00 0.00 O ATOM 1008 CB CYS A 72 1.976 -15.628 -2.205 1.00 0.00 C ATOM 1009 SG CYS A 72 0.253 -15.981 -2.698 1.00 0.00 S ATOM 0 H CYS A 72 3.941 -14.427 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 72 1.272 -15.370 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.275 -14.676 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.624 -16.393 -2.632 1.00 0.00 H new ATOM 1014 N GLU A 73 1.930 -17.658 0.517 1.00 0.00 N ATOM 1015 CA GLU A 73 2.350 -18.942 1.071 1.00 0.00 C ATOM 1016 C GLU A 73 1.361 -20.057 0.737 1.00 0.00 C ATOM 1017 O GLU A 73 0.191 -19.995 1.107 1.00 0.00 O ATOM 1018 CB GLU A 73 2.507 -18.822 2.585 1.00 0.00 C ATOM 1019 CG GLU A 73 3.822 -19.379 3.102 1.00 0.00 C ATOM 1020 CD GLU A 73 5.020 -18.574 2.638 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.820 -17.441 2.151 1.00 0.00 O ATOM 1022 OE2 GLU A 73 6.156 -19.076 2.761 1.00 0.00 O ATOM 0 H GLU A 73 0.962 -17.406 0.717 1.00 0.00 H new ATOM 0 HA GLU A 73 3.307 -19.204 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.429 -17.772 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.683 -19.345 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.801 -19.397 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.931 -20.411 2.768 1.00 0.00 H new ATOM 1029 N CYS A 74 1.845 -21.081 0.039 1.00 0.00 N ATOM 1030 CA CYS A 74 1.009 -22.213 -0.340 1.00 0.00 C ATOM 1031 C CYS A 74 0.788 -23.180 0.831 1.00 0.00 C ATOM 1032 O CYS A 74 -0.259 -23.824 0.914 1.00 0.00 O ATOM 1033 CB CYS A 74 1.621 -22.961 -1.527 1.00 0.00 C ATOM 1034 SG CYS A 74 0.560 -23.011 -3.010 1.00 0.00 S ATOM 0 H CYS A 74 2.813 -21.149 -0.275 1.00 0.00 H new ATOM 0 HA CYS A 74 0.038 -21.812 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.569 -22.491 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.846 -23.983 -1.221 1.00 0.00 H new ATOM 1039 N PRO A 75 1.777 -23.319 1.748 1.00 0.00 N ATOM 1040 CA PRO A 75 3.049 -22.578 1.700 1.00 0.00 C ATOM 1041 C PRO A 75 3.913 -22.966 0.505 1.00 0.00 C ATOM 1042 O PRO A 75 3.604 -23.913 -0.217 1.00 0.00 O ATOM 1043 CB PRO A 75 3.743 -22.980 3.007 1.00 0.00 C ATOM 1044 CG PRO A 75 3.138 -24.292 3.366 1.00 0.00 C ATOM 1045 CD PRO A 75 1.709 -24.208 2.919 1.00 0.00 C ATOM 0 HA PRO A 75 2.885 -21.506 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.821 -23.064 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.576 -22.239 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.657 -25.113 2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.204 -24.475 4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.310 -25.188 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.066 -23.799 3.699 1.00 0.00 H new ATOM 1053 N PRO A 76 5.023 -22.240 0.300 1.00 0.00 N ATOM 1054 CA PRO A 76 5.951 -22.501 -0.796 1.00 0.00 C ATOM 1055 C PRO A 76 6.116 -23.985 -1.091 1.00 0.00 C ATOM 1056 O PRO A 76 6.374 -24.371 -2.231 1.00 0.00 O ATOM 1057 CB PRO A 76 7.252 -21.903 -0.273 1.00 0.00 C ATOM 1058 CG PRO A 76 6.822 -20.753 0.574 1.00 0.00 C ATOM 1059 CD PRO A 76 5.466 -21.112 1.138 1.00 0.00 C ATOM 0 HA PRO A 76 5.609 -22.077 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.819 -22.632 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.895 -21.575 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.539 -20.573 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.766 -19.838 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.532 -21.396 2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.773 -20.273 1.078 1.00 0.00 H new ATOM 1067 N GLY A 77 5.957 -24.819 -0.065 1.00 0.00 N ATOM 1068 CA GLY A 77 6.086 -26.251 -0.258 1.00 0.00 C ATOM 1069 C GLY A 77 5.499 -26.684 -1.584 1.00 0.00 C ATOM 1070 O GLY A 77 5.962 -27.642 -2.202 1.00 0.00 O ATOM 0 H GLY A 77 5.743 -24.530 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.138 -26.532 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.582 -26.776 0.554 1.00 0.00 H new ATOM 1074 N HIS A 78 4.482 -25.951 -2.024 1.00 0.00 N ATOM 1075 CA HIS A 78 3.818 -26.223 -3.288 1.00 0.00 C ATOM 1076 C HIS A 78 4.508 -25.448 -4.418 1.00 0.00 C ATOM 1077 O HIS A 78 5.731 -25.504 -4.547 1.00 0.00 O ATOM 1078 CB HIS A 78 2.339 -25.845 -3.174 1.00 0.00 C ATOM 1079 CG HIS A 78 1.442 -26.646 -4.064 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.089 -26.405 -4.182 1.00 0.00 N ATOM 1081 CD2 HIS A 78 1.709 -27.692 -4.882 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.436 -27.267 -5.035 1.00 0.00 C ATOM 1083 NE2 HIS A 78 0.525 -28.057 -5.474 1.00 0.00 N ATOM 0 H HIS A 78 4.098 -25.155 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 78 3.885 -27.285 -3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.019 -25.974 -2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.224 -24.788 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.673 -28.153 -5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.476 -27.316 -5.324 1.00 0.00 H new ATOM 0 HE2 HIS A 78 0.408 -28.816 -6.145 1.00 0.00 H new ATOM 1092 N GLN A 79 3.740 -24.713 -5.226 1.00 0.00 N ATOM 1093 CA GLN A 79 4.313 -23.931 -6.311 1.00 0.00 C ATOM 1094 C GLN A 79 3.628 -22.575 -6.381 1.00 0.00 C ATOM 1095 O GLN A 79 2.991 -22.238 -7.378 1.00 0.00 O ATOM 1096 CB GLN A 79 4.154 -24.660 -7.645 1.00 0.00 C ATOM 1097 CG GLN A 79 5.225 -25.700 -7.919 1.00 0.00 C ATOM 1098 CD GLN A 79 4.936 -26.508 -9.169 1.00 0.00 C ATOM 1099 OE1 GLN A 79 5.386 -27.646 -9.305 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.178 -25.921 -10.093 1.00 0.00 N ATOM 0 H GLN A 79 2.725 -24.647 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 79 5.377 -23.793 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.178 -25.146 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.162 -23.926 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.190 -25.205 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.303 -26.372 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.826 -24.976 -9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.949 -26.416 -10.955 1.00 0.00 H new ATOM 1109 N LEU A 80 3.744 -21.811 -5.304 1.00 0.00 N ATOM 1110 CA LEU A 80 3.119 -20.500 -5.230 1.00 0.00 C ATOM 1111 C LEU A 80 4.022 -19.421 -5.808 1.00 0.00 C ATOM 1112 O LEU A 80 5.173 -19.269 -5.398 1.00 0.00 O ATOM 1113 CB LEU A 80 2.762 -20.172 -3.781 1.00 0.00 C ATOM 1114 CG LEU A 80 2.220 -18.762 -3.531 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.614 -18.175 -4.798 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.193 -18.788 -2.411 1.00 0.00 C ATOM 0 H LEU A 80 4.266 -22.078 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 80 2.208 -20.526 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.020 -20.892 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.651 -20.313 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 80 3.052 -18.124 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.237 -17.173 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.376 -18.122 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.794 -18.808 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.814 -17.780 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.368 -19.444 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.659 -19.159 -1.498 1.00 0.00 H new ATOM 1128 N SER A 81 3.485 -18.672 -6.763 1.00 0.00 N ATOM 1129 CA SER A 81 4.230 -17.601 -7.404 1.00 0.00 C ATOM 1130 C SER A 81 4.735 -16.598 -6.371 1.00 0.00 C ATOM 1131 O SER A 81 3.992 -16.179 -5.483 1.00 0.00 O ATOM 1132 CB SER A 81 3.348 -16.890 -8.428 1.00 0.00 C ATOM 1133 OG SER A 81 2.839 -15.675 -7.905 1.00 0.00 O ATOM 0 H SER A 81 2.533 -18.789 -7.110 1.00 0.00 H new ATOM 0 HA SER A 81 5.090 -18.038 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.924 -16.688 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.522 -17.540 -8.715 1.00 0.00 H new ATOM 0 HG SER A 81 2.302 -15.862 -7.107 1.00 0.00 H new ATOM 1139 N PRO A 82 6.010 -16.199 -6.475 1.00 0.00 N ATOM 1140 CA PRO A 82 6.618 -15.239 -5.550 1.00 0.00 C ATOM 1141 C PRO A 82 5.768 -13.986 -5.374 1.00 0.00 C ATOM 1142 O PRO A 82 5.381 -13.637 -4.259 1.00 0.00 O ATOM 1143 CB PRO A 82 7.945 -14.891 -6.222 1.00 0.00 C ATOM 1144 CG PRO A 82 8.275 -16.085 -7.050 1.00 0.00 C ATOM 1145 CD PRO A 82 6.959 -16.652 -7.509 1.00 0.00 C ATOM 0 HA PRO A 82 6.727 -15.653 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.854 -13.996 -6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.723 -14.694 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.898 -15.809 -7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.834 -16.819 -6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.684 -16.281 -8.496 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.992 -17.739 -7.575 1.00 0.00 H new ATOM 1153 N ASN A 83 5.482 -13.311 -6.483 1.00 0.00 N ATOM 1154 CA ASN A 83 4.680 -12.094 -6.449 1.00 0.00 C ATOM 1155 C ASN A 83 3.780 -11.993 -7.676 1.00 0.00 C ATOM 1156 O ASN A 83 3.423 -10.895 -8.105 1.00 0.00 O ATOM 1157 CB ASN A 83 5.585 -10.865 -6.364 1.00 0.00 C ATOM 1158 CG ASN A 83 6.070 -10.603 -4.952 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.259 -10.388 -4.721 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.146 -10.621 -3.998 1.00 0.00 N ATOM 0 H ASN A 83 5.793 -13.586 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 83 4.047 -12.135 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.444 -11.003 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.043 -9.992 -6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.411 -10.452 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.171 -10.804 -4.236 1.00 0.00 H new ATOM 1167 N ILE A 84 3.408 -13.140 -8.234 1.00 0.00 N ATOM 1168 CA ILE A 84 2.543 -13.170 -9.407 1.00 0.00 C ATOM 1169 C ILE A 84 1.092 -13.404 -9.000 1.00 0.00 C ATOM 1170 O ILE A 84 0.173 -13.209 -9.795 1.00 0.00 O ATOM 1171 CB ILE A 84 2.972 -14.256 -10.413 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.447 -14.085 -10.787 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.096 -14.201 -11.655 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.394 -14.243 -9.616 1.00 0.00 C ATOM 0 H ILE A 84 3.691 -14.059 -7.894 1.00 0.00 H new ATOM 0 HA ILE A 84 2.635 -12.199 -9.893 1.00 0.00 H new ATOM 0 HB ILE A 84 2.847 -15.233 -9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.706 -14.816 -11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.589 -13.098 -11.227 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.411 -14.974 -12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.056 -14.367 -11.374 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.193 -13.223 -12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.420 -14.109 -9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.163 -13.495 -8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.281 -15.239 -9.189 1.00 0.00 H new ATOM 1186 N SER A 85 0.895 -13.807 -7.748 1.00 0.00 N ATOM 1187 CA SER A 85 -0.443 -14.051 -7.218 1.00 0.00 C ATOM 1188 C SER A 85 -1.100 -15.263 -7.874 1.00 0.00 C ATOM 1189 O SER A 85 -1.776 -15.130 -8.896 1.00 0.00 O ATOM 1190 CB SER A 85 -1.320 -12.812 -7.422 1.00 0.00 C ATOM 1191 OG SER A 85 -0.584 -11.751 -8.006 1.00 0.00 O ATOM 0 H SER A 85 1.648 -13.972 -7.080 1.00 0.00 H new ATOM 0 HA SER A 85 -0.344 -14.261 -6.153 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.167 -13.064 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.728 -12.490 -6.464 1.00 0.00 H new ATOM 0 HG SER A 85 -0.736 -11.742 -8.974 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.914 -16.442 -7.273 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.506 -17.674 -7.797 1.00 0.00 C ATOM 1199 C ALA A 86 -0.741 -18.916 -7.343 1.00 0.00 C ATOM 1200 O ALA A 86 0.287 -19.268 -7.921 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.567 -17.630 -9.317 1.00 0.00 C ATOM 0 H ALA A 86 -0.360 -16.568 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.517 -17.741 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.010 -18.553 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.176 -16.782 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.559 -17.522 -9.719 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.260 -19.589 -6.318 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.640 -20.805 -5.802 1.00 0.00 C ATOM 1209 C CYS A 87 -0.655 -21.900 -6.868 1.00 0.00 C ATOM 1210 O CYS A 87 -1.566 -21.951 -7.693 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.388 -21.285 -4.555 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.407 -21.227 -3.022 1.00 0.00 S ATOM 0 H CYS A 87 -2.110 -19.311 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 87 0.394 -20.585 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.281 -20.674 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.724 -22.309 -4.719 1.00 0.00 H new ATOM 1217 N ILE A 88 0.349 -22.776 -6.851 1.00 0.00 N ATOM 1218 CA ILE A 88 0.416 -23.858 -7.828 1.00 0.00 C ATOM 1219 C ILE A 88 0.910 -25.148 -7.185 1.00 0.00 C ATOM 1220 O ILE A 88 1.501 -25.072 -6.089 1.00 0.00 O ATOM 1221 CB ILE A 88 1.337 -23.501 -9.012 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.221 -22.016 -9.355 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.995 -24.356 -10.223 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.209 -21.560 -10.408 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.702 -26.223 -7.785 1.00 0.00 O ATOM 0 H ILE A 88 1.117 -22.758 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.597 -24.004 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 88 2.368 -23.705 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.209 -21.810 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.371 -21.429 -8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.653 -24.093 -11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.128 -25.409 -9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.041 -24.179 -10.512 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.070 -20.496 -10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.225 -21.734 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.045 -22.121 -11.328 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.459 19.538 -12.413 1.00 0.00 CA HETATM 1239 CA CA A 102 0.982 -4.010 0.855 1.00 0.00 CA