USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 505 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 59 MET CE :methyl 149:sc= -2.77 (180deg=-2.86!) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.9! C(o=-5.7!,f=-12!) USER MOD Set 2.1: A 14 CYS SG : rot 40:sc= -0.186 USER MOD Set 2.2: A 17 CYS SG : rot -53:sc= -0.764 USER MOD Set 2.3: A 25 SER OG : rot 85:sc= -1.1 USER MOD Set 2.4: A 52 HIS : no HE2:sc= -6.52! C(o=-11!,f=-14!) USER MOD Set 2.5: A 55 CYS SG : rot -157:sc= -2.47 USER MOD Set 3.1: A 47 CYS SG : rot 37:sc= -4.36! USER MOD Set 3.2: A 49 HIS : no HD1:sc= -9.99! C(o=-14!,f=-16!) USER MOD Set 3.3: A 71 CYS SG : rot 171:sc= -0.696 USER MOD Set 3.4: A 74 CYS SG : rot 52:sc= -0.681 USER MOD Set 3.5: A 76 THR OG1 : rot 142:sc= 1.64 USER MOD Single : A 3 THR OG1 : rot -40:sc= 0.275! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -102:sc= 0.0428 USER MOD Single : A 31 THR OG1 : rot -38:sc= -1.27 USER MOD Single : A 38 SER OG : rot -72:sc= -4.36! USER MOD Single : A 43 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-4.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc=-0.00431 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -5.64! C(o=-5.6!,f=-15!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00745 USER MOD Single : A 73 SER OG : rot 180:sc= -0.157 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.206 -0.046 -4.268 1.00 0.00 N ATOM 37 CA THR A 3 2.286 -1.176 -4.299 1.00 0.00 C ATOM 38 C THR A 3 1.333 -1.078 -5.484 1.00 0.00 C ATOM 39 O THR A 3 0.589 -0.107 -5.615 1.00 0.00 O ATOM 40 CB THR A 3 1.463 -1.267 -3.000 1.00 0.00 C ATOM 41 OG1 THR A 3 0.095 -0.940 -3.263 1.00 0.00 O ATOM 42 CG2 THR A 3 2.020 -0.328 -1.941 1.00 0.00 C ATOM 0 HA THR A 3 2.894 -2.075 -4.399 1.00 0.00 H new ATOM 0 HB THR A 3 1.526 -2.289 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.053 -0.185 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.423 -0.409 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.053 -0.598 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.984 0.698 -2.309 1.00 0.00 H new ATOM 50 N GLU A 4 1.361 -2.091 -6.345 1.00 0.00 N ATOM 51 CA GLU A 4 0.498 -2.117 -7.521 1.00 0.00 C ATOM 52 C GLU A 4 -0.789 -2.884 -7.235 1.00 0.00 C ATOM 53 O GLU A 4 -0.787 -4.112 -7.160 1.00 0.00 O ATOM 54 CB GLU A 4 1.231 -2.751 -8.705 1.00 0.00 C ATOM 55 CG GLU A 4 0.337 -3.010 -9.907 1.00 0.00 C ATOM 56 CD GLU A 4 1.032 -3.809 -10.990 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.111 -4.373 -10.710 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.499 -3.872 -12.117 1.00 0.00 O ATOM 0 H GLU A 4 1.971 -2.903 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 4 0.239 -1.089 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.050 -2.098 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.676 -3.693 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.556 -3.545 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.005 -2.057 -10.320 1.00 0.00 H new ATOM 65 N GLU A 5 -1.886 -2.150 -7.074 1.00 0.00 N ATOM 66 CA GLU A 5 -3.180 -2.762 -6.794 1.00 0.00 C ATOM 67 C GLU A 5 -3.319 -4.096 -7.521 1.00 0.00 C ATOM 68 O GLU A 5 -3.023 -4.200 -8.713 1.00 0.00 O ATOM 69 CB GLU A 5 -4.314 -1.821 -7.206 1.00 0.00 C ATOM 70 CG GLU A 5 -5.622 -2.090 -6.483 1.00 0.00 C ATOM 71 CD GLU A 5 -6.831 -1.611 -7.264 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.747 -0.526 -7.876 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.858 -2.320 -7.262 1.00 0.00 O ATOM 0 H GLU A 5 -1.904 -1.132 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.243 -2.945 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.008 -0.792 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.477 -1.911 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.716 -3.160 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.603 -1.597 -5.511 1.00 0.00 H new ATOM 80 N LEU A 6 -3.773 -5.113 -6.797 1.00 0.00 N ATOM 81 CA LEU A 6 -3.951 -6.442 -7.372 1.00 0.00 C ATOM 82 C LEU A 6 -5.343 -6.589 -7.979 1.00 0.00 C ATOM 83 O LEU A 6 -6.332 -6.749 -7.263 1.00 0.00 O ATOM 84 CB LEU A 6 -3.733 -7.515 -6.304 1.00 0.00 C ATOM 85 CG LEU A 6 -2.907 -7.093 -5.089 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.807 -8.236 -4.089 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.520 -6.636 -5.519 1.00 0.00 C ATOM 0 H LEU A 6 -4.025 -5.043 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.213 -6.571 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.708 -7.856 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.245 -8.370 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.410 -6.256 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.216 -7.918 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.806 -8.517 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.327 -9.093 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.946 -6.339 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.009 -7.454 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.610 -5.787 -6.197 1.00 0.00 H new ATOM 99 N LYS A 7 -5.412 -6.535 -9.306 1.00 0.00 N ATOM 100 CA LYS A 7 -6.682 -6.666 -10.011 1.00 0.00 C ATOM 101 C LYS A 7 -7.613 -7.629 -9.283 1.00 0.00 C ATOM 102 O LYS A 7 -8.830 -7.444 -9.272 1.00 0.00 O ATOM 103 CB LYS A 7 -6.445 -7.153 -11.443 1.00 0.00 C ATOM 104 CG LYS A 7 -6.616 -6.067 -12.491 1.00 0.00 C ATOM 105 CD LYS A 7 -5.847 -6.392 -13.760 1.00 0.00 C ATOM 106 CE LYS A 7 -6.740 -6.314 -14.989 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.388 -7.352 -15.998 1.00 0.00 N ATOM 0 H LYS A 7 -4.604 -6.402 -9.914 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.155 -5.685 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.437 -7.562 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.136 -7.968 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.674 -5.950 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.271 -5.114 -12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.014 -5.698 -13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.420 -7.392 -13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.781 -6.437 -14.690 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.652 -5.325 -15.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.019 -7.265 -16.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.403 -7.220 -16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.496 -8.297 -15.577 1.00 0.00 H new ATOM 121 N VAL A 8 -7.033 -8.659 -8.673 1.00 0.00 N ATOM 122 CA VAL A 8 -7.811 -9.650 -7.939 1.00 0.00 C ATOM 123 C VAL A 8 -7.239 -9.875 -6.544 1.00 0.00 C ATOM 124 O VAL A 8 -6.046 -9.696 -6.299 1.00 0.00 O ATOM 125 CB VAL A 8 -7.854 -10.995 -8.687 1.00 0.00 C ATOM 126 CG1 VAL A 8 -8.652 -10.866 -9.976 1.00 0.00 C ATOM 127 CG2 VAL A 8 -6.444 -11.491 -8.972 1.00 0.00 C ATOM 0 H VAL A 8 -6.027 -8.828 -8.673 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.824 -9.257 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.352 -11.727 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.671 -11.827 -10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.672 -10.559 -9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.186 -10.119 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.493 -12.443 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.919 -10.760 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.909 -11.626 -8.032 1.00 0.00 H new ATOM 137 N PRO A 9 -8.109 -10.276 -5.605 1.00 0.00 N ATOM 138 CA PRO A 9 -7.714 -10.535 -4.219 1.00 0.00 C ATOM 139 C PRO A 9 -6.845 -11.782 -4.086 1.00 0.00 C ATOM 140 O PRO A 9 -7.077 -12.800 -4.737 1.00 0.00 O ATOM 141 CB PRO A 9 -9.050 -10.737 -3.499 1.00 0.00 C ATOM 142 CG PRO A 9 -9.987 -11.195 -4.563 1.00 0.00 C ATOM 143 CD PRO A 9 -9.546 -10.509 -5.828 1.00 0.00 C ATOM 0 HA PRO A 9 -7.112 -9.723 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.963 -11.476 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.396 -9.812 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.951 -12.279 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.016 -10.934 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.721 -11.132 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.085 -9.575 -5.988 1.00 0.00 H new ATOM 151 N PRO A 10 -5.821 -11.702 -3.224 1.00 0.00 N ATOM 152 CA PRO A 10 -4.898 -12.815 -2.986 1.00 0.00 C ATOM 153 C PRO A 10 -5.560 -13.969 -2.242 1.00 0.00 C ATOM 154 O PRO A 10 -5.248 -15.136 -2.480 1.00 0.00 O ATOM 155 CB PRO A 10 -3.798 -12.187 -2.126 1.00 0.00 C ATOM 156 CG PRO A 10 -4.458 -11.037 -1.446 1.00 0.00 C ATOM 157 CD PRO A 10 -5.485 -10.518 -2.415 1.00 0.00 C ATOM 0 HA PRO A 10 -4.535 -13.248 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.405 -12.902 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.958 -11.856 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.925 -11.351 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.732 -10.263 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.360 -10.122 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.086 -9.711 -3.030 1.00 0.00 H new ATOM 165 N ASP A 11 -6.478 -13.636 -1.341 1.00 0.00 N ATOM 166 CA ASP A 11 -7.187 -14.645 -0.563 1.00 0.00 C ATOM 167 C ASP A 11 -6.359 -15.085 0.641 1.00 0.00 C ATOM 168 O ASP A 11 -6.347 -16.261 1.001 1.00 0.00 O ATOM 169 CB ASP A 11 -7.518 -15.855 -1.438 1.00 0.00 C ATOM 170 CG ASP A 11 -8.936 -16.349 -1.229 1.00 0.00 C ATOM 171 OD1 ASP A 11 -9.832 -15.507 -1.004 1.00 0.00 O ATOM 172 OD2 ASP A 11 -9.152 -17.578 -1.292 1.00 0.00 O ATOM 0 H ASP A 11 -6.748 -12.675 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.115 -14.202 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.379 -15.591 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.819 -16.662 -1.217 1.00 0.00 H new ATOM 177 N GLU A 12 -5.667 -14.130 1.256 1.00 0.00 N ATOM 178 CA GLU A 12 -4.835 -14.421 2.419 1.00 0.00 C ATOM 179 C GLU A 12 -5.515 -13.960 3.704 1.00 0.00 C ATOM 180 O GLU A 12 -6.323 -14.685 4.285 1.00 0.00 O ATOM 181 CB GLU A 12 -3.470 -13.741 2.279 1.00 0.00 C ATOM 182 CG GLU A 12 -2.426 -14.607 1.593 1.00 0.00 C ATOM 183 CD GLU A 12 -1.506 -15.301 2.578 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.407 -14.769 2.838 1.00 0.00 O ATOM 185 OE2 GLU A 12 -1.884 -16.375 3.088 1.00 0.00 O ATOM 0 H GLU A 12 -5.666 -13.151 0.969 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.693 -15.500 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.590 -12.816 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.107 -13.465 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.927 -15.356 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.832 -13.989 0.920 1.00 0.00 H new ATOM 192 N ASP A 13 -5.181 -12.752 4.143 1.00 0.00 N ATOM 193 CA ASP A 13 -5.759 -12.193 5.359 1.00 0.00 C ATOM 194 C ASP A 13 -4.936 -11.009 5.858 1.00 0.00 C ATOM 195 O ASP A 13 -3.769 -11.159 6.219 1.00 0.00 O ATOM 196 CB ASP A 13 -5.846 -13.264 6.447 1.00 0.00 C ATOM 197 CG ASP A 13 -7.272 -13.701 6.718 1.00 0.00 C ATOM 198 OD1 ASP A 13 -8.016 -12.933 7.363 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.645 -14.811 6.284 1.00 0.00 O ATOM 0 H ASP A 13 -4.512 -12.141 3.675 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.764 -11.841 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.255 -14.130 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.406 -12.879 7.367 1.00 0.00 H new ATOM 204 N CYS A 14 -5.554 -9.831 5.875 1.00 0.00 N ATOM 205 CA CYS A 14 -4.879 -8.621 6.328 1.00 0.00 C ATOM 206 C CYS A 14 -3.963 -8.920 7.511 1.00 0.00 C ATOM 207 O CYS A 14 -4.161 -9.898 8.232 1.00 0.00 O ATOM 208 CB CYS A 14 -5.905 -7.556 6.719 1.00 0.00 C ATOM 209 SG CYS A 14 -5.183 -5.921 7.072 1.00 0.00 S ATOM 0 H CYS A 14 -6.520 -9.690 5.580 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.270 -8.245 5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.632 -7.454 5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.450 -7.898 7.599 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.235 -5.672 6.218 1.00 0.00 H new ATOM 214 N ILE A 15 -2.961 -8.068 7.706 1.00 0.00 N ATOM 215 CA ILE A 15 -2.016 -8.239 8.803 1.00 0.00 C ATOM 216 C ILE A 15 -2.179 -7.138 9.844 1.00 0.00 C ATOM 217 O ILE A 15 -1.766 -7.292 10.995 1.00 0.00 O ATOM 218 CB ILE A 15 -0.562 -8.241 8.297 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.528 -8.109 6.773 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.151 -9.511 8.740 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.797 -8.505 6.161 1.00 0.00 C ATOM 0 H ILE A 15 -2.783 -7.253 7.119 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.234 -9.204 9.261 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.042 -7.386 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.316 -8.729 6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.751 -7.077 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.178 -9.498 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.154 -9.566 9.829 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.367 -10.380 8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.748 -8.386 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.587 -7.869 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.013 -9.546 6.402 1.00 0.00 H new ATOM 233 N ILE A 16 -2.784 -6.028 9.436 1.00 0.00 N ATOM 234 CA ILE A 16 -3.003 -4.901 10.335 1.00 0.00 C ATOM 235 C ILE A 16 -4.219 -5.137 11.224 1.00 0.00 C ATOM 236 O ILE A 16 -4.090 -5.348 12.430 1.00 0.00 O ATOM 237 CB ILE A 16 -3.197 -3.588 9.555 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.344 -3.593 8.285 1.00 0.00 C ATOM 239 CG2 ILE A 16 -2.844 -2.395 10.431 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.520 -2.338 8.106 1.00 0.00 C ATOM 0 H ILE A 16 -3.132 -5.884 8.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.112 -4.815 10.957 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.245 -3.505 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.678 -4.455 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.995 -3.717 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.986 -1.474 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.489 -2.385 11.309 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.803 -2.470 10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.941 -2.411 7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.181 -1.473 8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.843 -2.223 8.953 1.00 0.00 H new ATOM 252 N CYS A 17 -5.403 -5.102 10.619 1.00 0.00 N ATOM 253 CA CYS A 17 -6.643 -5.312 11.353 1.00 0.00 C ATOM 254 C CYS A 17 -6.955 -6.801 11.481 1.00 0.00 C ATOM 255 O CYS A 17 -8.092 -7.187 11.751 1.00 0.00 O ATOM 256 CB CYS A 17 -7.801 -4.596 10.656 1.00 0.00 C ATOM 257 SG CYS A 17 -8.380 -5.422 9.139 1.00 0.00 S ATOM 0 H CYS A 17 -5.528 -4.930 9.621 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.517 -4.898 12.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.635 -4.513 11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.490 -3.581 10.408 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.372 -5.623 8.343 1.00 0.00 H new ATOM 262 N MET A 18 -5.936 -7.632 11.285 1.00 0.00 N ATOM 263 CA MET A 18 -6.101 -9.078 11.380 1.00 0.00 C ATOM 264 C MET A 18 -7.470 -9.504 10.860 1.00 0.00 C ATOM 265 O MET A 18 -8.340 -9.901 11.634 1.00 0.00 O ATOM 266 CB MET A 18 -5.924 -9.539 12.828 1.00 0.00 C ATOM 267 CG MET A 18 -4.779 -8.849 13.551 1.00 0.00 C ATOM 268 SD MET A 18 -3.940 -9.935 14.720 1.00 0.00 S ATOM 269 CE MET A 18 -2.341 -10.108 13.936 1.00 0.00 C ATOM 0 H MET A 18 -4.988 -7.329 11.060 1.00 0.00 H new ATOM 0 HA MET A 18 -5.336 -9.548 10.762 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.850 -9.357 13.374 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.754 -10.616 12.839 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.059 -8.485 12.818 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.162 -7.977 14.082 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.707 -10.754 14.542 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.467 -10.548 12.946 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.874 -9.128 13.841 1.00 0.00 H new ATOM 279 N GLU A 19 -7.652 -9.418 9.547 1.00 0.00 N ATOM 280 CA GLU A 19 -8.917 -9.796 8.926 1.00 0.00 C ATOM 281 C GLU A 19 -8.686 -10.411 7.549 1.00 0.00 C ATOM 282 O GLU A 19 -7.545 -10.591 7.121 1.00 0.00 O ATOM 283 CB GLU A 19 -9.834 -8.576 8.803 1.00 0.00 C ATOM 284 CG GLU A 19 -10.440 -8.134 10.124 1.00 0.00 C ATOM 285 CD GLU A 19 -11.763 -8.814 10.416 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.175 -8.829 11.595 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.387 -9.330 9.465 1.00 0.00 O ATOM 0 H GLU A 19 -6.941 -9.091 8.893 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.396 -10.541 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.267 -7.748 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.637 -8.805 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.739 -8.349 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.587 -7.054 10.109 1.00 0.00 H new ATOM 294 N LYS A 20 -9.776 -10.734 6.862 1.00 0.00 N ATOM 295 CA LYS A 20 -9.694 -11.329 5.532 1.00 0.00 C ATOM 296 C LYS A 20 -9.368 -10.273 4.482 1.00 0.00 C ATOM 297 O LYS A 20 -9.982 -9.206 4.449 1.00 0.00 O ATOM 298 CB LYS A 20 -11.011 -12.025 5.182 1.00 0.00 C ATOM 299 CG LYS A 20 -11.264 -13.290 5.984 1.00 0.00 C ATOM 300 CD LYS A 20 -12.748 -13.514 6.218 1.00 0.00 C ATOM 301 CE LYS A 20 -13.166 -14.926 5.835 1.00 0.00 C ATOM 302 NZ LYS A 20 -13.030 -15.874 6.976 1.00 0.00 N ATOM 0 H LYS A 20 -10.727 -10.594 7.203 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.891 -12.066 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.834 -11.330 5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.010 -12.272 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.845 -14.147 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.750 -13.223 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.983 -13.336 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.322 -12.793 5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.200 -14.918 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.555 -15.272 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.324 -16.825 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.038 -15.901 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.632 -15.559 7.763 1.00 0.00 H new ATOM 316 N LEU A 21 -8.402 -10.578 3.622 1.00 0.00 N ATOM 317 CA LEU A 21 -7.996 -9.656 2.568 1.00 0.00 C ATOM 318 C LEU A 21 -9.091 -9.518 1.515 1.00 0.00 C ATOM 319 O LEU A 21 -8.972 -8.722 0.582 1.00 0.00 O ATOM 320 CB LEU A 21 -6.701 -10.137 1.914 1.00 0.00 C ATOM 321 CG LEU A 21 -5.410 -9.507 2.439 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.217 -9.966 1.614 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.515 -7.989 2.428 1.00 0.00 C ATOM 0 H LEU A 21 -7.885 -11.457 3.634 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.826 -8.678 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.633 -11.217 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.766 -9.946 0.843 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.261 -9.834 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.308 -9.507 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.130 -11.051 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.358 -9.669 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.588 -7.557 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.688 -7.644 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.344 -7.677 3.063 1.00 0.00 H new ATOM 335 N SER A 22 -10.157 -10.295 1.671 1.00 0.00 N ATOM 336 CA SER A 22 -11.273 -10.260 0.733 1.00 0.00 C ATOM 337 C SER A 22 -12.417 -9.411 1.279 1.00 0.00 C ATOM 338 O SER A 22 -13.348 -9.060 0.553 1.00 0.00 O ATOM 339 CB SER A 22 -11.769 -11.679 0.445 1.00 0.00 C ATOM 340 OG SER A 22 -13.152 -11.803 0.727 1.00 0.00 O ATOM 0 H SER A 22 -10.272 -10.957 2.438 1.00 0.00 H new ATOM 0 HA SER A 22 -10.921 -9.810 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.584 -11.927 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.207 -12.393 1.046 1.00 0.00 H new ATOM 0 HG SER A 22 -13.445 -12.718 0.533 1.00 0.00 H new ATOM 346 N THR A 23 -12.339 -9.083 2.565 1.00 0.00 N ATOM 347 CA THR A 23 -13.368 -8.276 3.211 1.00 0.00 C ATOM 348 C THR A 23 -13.136 -6.790 2.964 1.00 0.00 C ATOM 349 O THR A 23 -13.615 -6.234 1.976 1.00 0.00 O ATOM 350 CB THR A 23 -13.411 -8.532 4.729 1.00 0.00 C ATOM 351 OG1 THR A 23 -13.938 -9.837 4.991 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.263 -7.485 5.430 1.00 0.00 C ATOM 0 H THR A 23 -11.575 -9.363 3.180 1.00 0.00 H new ATOM 0 HA THR A 23 -14.322 -8.570 2.773 1.00 0.00 H new ATOM 0 HB THR A 23 -12.394 -8.468 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.960 -9.993 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.279 -7.686 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.842 -6.495 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.280 -7.522 5.039 1.00 0.00 H new ATOM 360 N ALA A 24 -12.398 -6.152 3.866 1.00 0.00 N ATOM 361 CA ALA A 24 -12.101 -4.731 3.744 1.00 0.00 C ATOM 362 C ALA A 24 -11.155 -4.271 4.848 1.00 0.00 C ATOM 363 O ALA A 24 -10.898 -5.003 5.804 1.00 0.00 O ATOM 364 CB ALA A 24 -13.387 -3.919 3.777 1.00 0.00 C ATOM 0 H ALA A 24 -11.995 -6.598 4.690 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.606 -4.569 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.150 -2.859 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.029 -4.221 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.904 -4.095 4.720 1.00 0.00 H new ATOM 370 N SER A 25 -10.638 -3.054 4.709 1.00 0.00 N ATOM 371 CA SER A 25 -9.715 -2.499 5.692 1.00 0.00 C ATOM 372 C SER A 25 -10.442 -2.170 6.994 1.00 0.00 C ATOM 373 O SER A 25 -11.462 -1.482 6.991 1.00 0.00 O ATOM 374 CB SER A 25 -9.043 -1.241 5.139 1.00 0.00 C ATOM 375 OG SER A 25 -9.433 -0.091 5.868 1.00 0.00 O ATOM 0 H SER A 25 -10.843 -2.434 3.925 1.00 0.00 H new ATOM 0 HA SER A 25 -8.951 -3.248 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.960 -1.354 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.307 -1.116 4.089 1.00 0.00 H new ATOM 0 HG SER A 25 -8.863 0.003 6.660 1.00 0.00 H new ATOM 381 N GLY A 26 -9.907 -2.668 8.105 1.00 0.00 N ATOM 382 CA GLY A 26 -10.517 -2.417 9.397 1.00 0.00 C ATOM 383 C GLY A 26 -10.434 -0.960 9.805 1.00 0.00 C ATOM 384 O GLY A 26 -11.336 -0.438 10.460 1.00 0.00 O ATOM 0 H GLY A 26 -9.063 -3.240 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.563 -2.724 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.026 -3.031 10.152 1.00 0.00 H new ATOM 388 N TYR A 27 -9.347 -0.301 9.418 1.00 0.00 N ATOM 389 CA TYR A 27 -9.148 1.106 9.751 1.00 0.00 C ATOM 390 C TYR A 27 -10.155 1.987 9.018 1.00 0.00 C ATOM 391 O TYR A 27 -10.427 3.114 9.432 1.00 0.00 O ATOM 392 CB TYR A 27 -7.723 1.536 9.398 1.00 0.00 C ATOM 393 CG TYR A 27 -6.677 1.009 10.355 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.515 -0.356 10.555 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.851 1.877 11.059 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.562 -0.842 11.427 1.00 0.00 C ATOM 397 CE2 TYR A 27 -4.894 1.400 11.933 1.00 0.00 C ATOM 398 CZ TYR A 27 -4.753 0.040 12.114 1.00 0.00 C ATOM 399 OH TYR A 27 -3.801 -0.440 12.985 1.00 0.00 O ATOM 0 H TYR A 27 -8.591 -0.717 8.874 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.302 1.226 10.823 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.488 1.192 8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.674 2.625 9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.146 -1.049 10.019 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.959 2.943 10.920 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.450 -1.906 11.571 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.260 2.088 12.472 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.316 0.311 13.386 1.00 0.00 H new ATOM 409 N SER A 28 -10.703 1.464 7.926 1.00 0.00 N ATOM 410 CA SER A 28 -11.678 2.204 7.131 1.00 0.00 C ATOM 411 C SER A 28 -12.627 2.990 8.031 1.00 0.00 C ATOM 412 O SER A 28 -13.188 4.007 7.622 1.00 0.00 O ATOM 413 CB SER A 28 -12.475 1.247 6.242 1.00 0.00 C ATOM 414 OG SER A 28 -13.573 0.692 6.946 1.00 0.00 O ATOM 0 H SER A 28 -10.489 0.532 7.571 1.00 0.00 H new ATOM 0 HA SER A 28 -11.136 2.908 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.835 1.779 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.824 0.447 5.888 1.00 0.00 H new ATOM 0 HG SER A 28 -13.354 -0.221 7.227 1.00 0.00 H new ATOM 420 N ASP A 29 -12.802 2.511 9.257 1.00 0.00 N ATOM 421 CA ASP A 29 -13.682 3.169 10.217 1.00 0.00 C ATOM 422 C ASP A 29 -13.427 4.672 10.247 1.00 0.00 C ATOM 423 O ASP A 29 -14.298 5.468 9.895 1.00 0.00 O ATOM 424 CB ASP A 29 -13.485 2.577 11.613 1.00 0.00 C ATOM 425 CG ASP A 29 -14.682 1.771 12.075 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.824 2.236 11.876 1.00 0.00 O ATOM 427 OD2 ASP A 29 -14.478 0.673 12.636 1.00 0.00 O ATOM 0 H ASP A 29 -12.347 1.670 9.610 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.712 3.000 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.600 1.940 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.298 3.383 12.323 1.00 0.00 H new ATOM 432 N VAL A 30 -12.227 5.054 10.672 1.00 0.00 N ATOM 433 CA VAL A 30 -11.856 6.462 10.748 1.00 0.00 C ATOM 434 C VAL A 30 -10.357 6.624 10.975 1.00 0.00 C ATOM 435 O VAL A 30 -9.890 6.670 12.113 1.00 0.00 O ATOM 436 CB VAL A 30 -12.615 7.182 11.879 1.00 0.00 C ATOM 437 CG1 VAL A 30 -11.851 8.417 12.334 1.00 0.00 C ATOM 438 CG2 VAL A 30 -14.019 7.550 11.427 1.00 0.00 C ATOM 0 H VAL A 30 -11.495 4.408 10.969 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.127 6.913 9.793 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.697 6.503 12.728 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.403 8.912 13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.868 8.122 12.701 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.735 9.103 11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.541 8.058 12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.961 8.211 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.563 6.645 11.156 1.00 0.00 H new ATOM 448 N THR A 31 -9.605 6.710 9.881 1.00 0.00 N ATOM 449 CA THR A 31 -8.157 6.866 9.959 1.00 0.00 C ATOM 450 C THR A 31 -7.737 8.284 9.588 1.00 0.00 C ATOM 451 O THR A 31 -6.695 8.767 10.030 1.00 0.00 O ATOM 452 CB THR A 31 -7.435 5.870 9.034 1.00 0.00 C ATOM 453 OG1 THR A 31 -6.110 5.624 9.519 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.368 6.402 7.610 1.00 0.00 C ATOM 0 H THR A 31 -9.975 6.674 8.931 1.00 0.00 H new ATOM 0 HA THR A 31 -7.872 6.664 10.991 1.00 0.00 H new ATOM 0 HB THR A 31 -8.000 4.938 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.731 6.456 9.872 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.853 5.680 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.378 6.561 7.233 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.824 7.347 7.600 1.00 0.00 H new ATOM 517 N LEU A 36 -8.315 6.310 0.188 1.00 0.00 N ATOM 518 CA LEU A 36 -7.857 5.044 -0.376 1.00 0.00 C ATOM 519 C LEU A 36 -8.806 3.909 -0.006 1.00 0.00 C ATOM 520 O LEU A 36 -8.881 3.502 1.153 1.00 0.00 O ATOM 521 CB LEU A 36 -6.445 4.725 0.116 1.00 0.00 C ATOM 522 CG LEU A 36 -6.291 4.505 1.621 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.826 4.329 1.989 1.00 0.00 C ATOM 524 CD2 LEU A 36 -6.903 5.664 2.395 1.00 0.00 C ATOM 0 HA LEU A 36 -7.843 5.142 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.096 3.830 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.786 5.541 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.823 3.593 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.737 4.174 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.420 3.465 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.269 5.222 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.784 5.490 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.400 6.591 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.964 5.742 2.156 1.00 0.00 H new ATOM 536 N GLY A 37 -9.527 3.400 -1.000 1.00 0.00 N ATOM 537 CA GLY A 37 -10.461 2.314 -0.758 1.00 0.00 C ATOM 538 C GLY A 37 -9.943 1.323 0.265 1.00 0.00 C ATOM 539 O GLY A 37 -8.740 1.075 0.347 1.00 0.00 O ATOM 0 H GLY A 37 -9.482 3.719 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.410 2.725 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.660 1.794 -1.695 1.00 0.00 H new ATOM 543 N SER A 38 -10.854 0.753 1.048 1.00 0.00 N ATOM 544 CA SER A 38 -10.482 -0.213 2.075 1.00 0.00 C ATOM 545 C SER A 38 -10.378 -1.616 1.487 1.00 0.00 C ATOM 546 O SER A 38 -10.280 -2.603 2.218 1.00 0.00 O ATOM 547 CB SER A 38 -11.507 -0.200 3.212 1.00 0.00 C ATOM 548 OG SER A 38 -12.187 -1.439 3.301 1.00 0.00 O ATOM 0 H SER A 38 -11.854 0.944 0.991 1.00 0.00 H new ATOM 0 HA SER A 38 -9.507 0.071 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.005 0.011 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.227 0.602 3.048 1.00 0.00 H new ATOM 0 HG SER A 38 -12.806 -1.527 2.546 1.00 0.00 H new ATOM 554 N LEU A 39 -10.397 -1.699 0.162 1.00 0.00 N ATOM 555 CA LEU A 39 -10.304 -2.981 -0.528 1.00 0.00 C ATOM 556 C LEU A 39 -9.245 -2.936 -1.623 1.00 0.00 C ATOM 557 O LEU A 39 -9.037 -3.912 -2.342 1.00 0.00 O ATOM 558 CB LEU A 39 -11.659 -3.361 -1.127 1.00 0.00 C ATOM 559 CG LEU A 39 -12.139 -2.500 -2.297 1.00 0.00 C ATOM 560 CD1 LEU A 39 -12.480 -3.373 -3.495 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.342 -1.663 -1.886 1.00 0.00 C ATOM 0 H LEU A 39 -10.476 -0.893 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.012 -3.736 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.609 -4.397 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.409 -3.316 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.332 -1.824 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.820 -2.745 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.595 -3.929 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.270 -4.072 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.669 -1.057 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.154 -2.321 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.066 -1.011 -1.057 1.00 0.00 H new ATOM 573 N ALA A 40 -8.576 -1.793 -1.745 1.00 0.00 N ATOM 574 CA ALA A 40 -7.536 -1.621 -2.751 1.00 0.00 C ATOM 575 C ALA A 40 -6.289 -2.424 -2.395 1.00 0.00 C ATOM 576 O ALA A 40 -5.237 -1.858 -2.101 1.00 0.00 O ATOM 577 CB ALA A 40 -7.189 -0.147 -2.905 1.00 0.00 C ATOM 0 H ALA A 40 -8.736 -0.973 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.919 -1.995 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.411 -0.033 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.077 0.406 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.831 0.244 -1.953 1.00 0.00 H new ATOM 583 N VAL A 41 -6.416 -3.748 -2.423 1.00 0.00 N ATOM 584 CA VAL A 41 -5.300 -4.630 -2.104 1.00 0.00 C ATOM 585 C VAL A 41 -4.026 -4.183 -2.812 1.00 0.00 C ATOM 586 O VAL A 41 -3.966 -4.150 -4.041 1.00 0.00 O ATOM 587 CB VAL A 41 -5.608 -6.087 -2.494 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.732 -7.048 -1.703 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.082 -6.397 -2.280 1.00 0.00 C ATOM 0 H VAL A 41 -7.281 -4.232 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.150 -4.574 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.384 -6.216 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.964 -8.073 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.683 -6.840 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.921 -6.920 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.281 -7.431 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.336 -6.251 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.687 -5.731 -2.895 1.00 0.00 H new ATOM 599 N GLY A 42 -3.009 -3.838 -2.029 1.00 0.00 N ATOM 600 CA GLY A 42 -1.749 -3.399 -2.599 1.00 0.00 C ATOM 601 C GLY A 42 -0.563 -4.161 -2.043 1.00 0.00 C ATOM 602 O GLY A 42 -0.408 -4.281 -0.827 1.00 0.00 O ATOM 0 H GLY A 42 -3.035 -3.855 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.781 -3.523 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.617 -2.335 -2.404 1.00 0.00 H new ATOM 606 N HIS A 43 0.277 -4.677 -2.935 1.00 0.00 N ATOM 607 CA HIS A 43 1.455 -5.433 -2.525 1.00 0.00 C ATOM 608 C HIS A 43 2.719 -4.591 -2.670 1.00 0.00 C ATOM 609 O HIS A 43 3.081 -4.180 -3.774 1.00 0.00 O ATOM 610 CB HIS A 43 1.582 -6.711 -3.356 1.00 0.00 C ATOM 611 CG HIS A 43 2.350 -6.524 -4.628 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.726 -6.439 -4.672 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.927 -6.408 -5.909 1.00 0.00 C ATOM 614 CE1 HIS A 43 4.115 -6.276 -5.923 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.043 -6.254 -6.694 1.00 0.00 N ATOM 0 H HIS A 43 0.164 -4.586 -3.945 1.00 0.00 H new ATOM 0 HA HIS A 43 1.336 -5.701 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.071 -7.478 -2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.585 -7.080 -3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.902 -6.432 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.137 -6.177 -6.259 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.044 -6.141 -7.708 1.00 0.00 H new ATOM 623 N LEU A 44 3.386 -4.336 -1.550 1.00 0.00 N ATOM 624 CA LEU A 44 4.610 -3.541 -1.552 1.00 0.00 C ATOM 625 C LEU A 44 5.669 -4.175 -2.447 1.00 0.00 C ATOM 626 O LEU A 44 6.096 -5.308 -2.217 1.00 0.00 O ATOM 627 CB LEU A 44 5.150 -3.396 -0.128 1.00 0.00 C ATOM 628 CG LEU A 44 5.202 -1.972 0.428 1.00 0.00 C ATOM 629 CD1 LEU A 44 6.021 -1.929 1.709 1.00 0.00 C ATOM 630 CD2 LEU A 44 5.779 -1.018 -0.608 1.00 0.00 C ATOM 0 H LEU A 44 3.100 -4.668 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 44 4.372 -2.553 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.534 -4.002 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.156 -3.813 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 44 4.185 -1.655 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.047 -0.908 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.567 -2.583 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.037 -2.265 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.809 -0.009 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.789 -1.333 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.153 -1.028 -1.500 1.00 0.00 H new ATOM 642 N THR A 45 6.092 -3.437 -3.469 1.00 0.00 N ATOM 643 CA THR A 45 7.103 -3.927 -4.398 1.00 0.00 C ATOM 644 C THR A 45 8.481 -3.953 -3.748 1.00 0.00 C ATOM 645 O THR A 45 9.475 -4.294 -4.389 1.00 0.00 O ATOM 646 CB THR A 45 7.164 -3.059 -5.669 1.00 0.00 C ATOM 647 OG1 THR A 45 7.402 -1.691 -5.318 1.00 0.00 O ATOM 648 CG2 THR A 45 5.869 -3.167 -6.461 1.00 0.00 C ATOM 0 H THR A 45 5.750 -2.498 -3.674 1.00 0.00 H new ATOM 0 HA THR A 45 6.815 -4.942 -4.672 1.00 0.00 H new ATOM 0 HB THR A 45 7.983 -3.421 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.441 -1.146 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.936 -2.546 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.706 -4.205 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.036 -2.828 -5.845 1.00 0.00 H new ATOM 656 N LYS A 46 8.534 -3.591 -2.470 1.00 0.00 N ATOM 657 CA LYS A 46 9.791 -3.574 -1.732 1.00 0.00 C ATOM 658 C LYS A 46 10.132 -4.965 -1.207 1.00 0.00 C ATOM 659 O LYS A 46 11.278 -5.409 -1.293 1.00 0.00 O ATOM 660 CB LYS A 46 9.708 -2.584 -0.567 1.00 0.00 C ATOM 661 CG LYS A 46 10.152 -1.178 -0.931 1.00 0.00 C ATOM 662 CD LYS A 46 11.539 -0.874 -0.389 1.00 0.00 C ATOM 663 CE LYS A 46 11.468 -0.184 0.965 1.00 0.00 C ATOM 664 NZ LYS A 46 11.553 1.298 0.839 1.00 0.00 N ATOM 0 H LYS A 46 7.721 -3.306 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 46 10.580 -3.258 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.681 -2.549 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.325 -2.950 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.151 -1.064 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.439 -0.456 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.106 -1.800 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.076 -0.240 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.535 -0.453 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.280 -0.542 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.501 1.730 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.454 1.557 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.763 1.643 0.257 1.00 0.00 H new ATOM 678 N CYS A 47 9.131 -5.650 -0.666 1.00 0.00 N ATOM 679 CA CYS A 47 9.324 -6.992 -0.128 1.00 0.00 C ATOM 680 C CYS A 47 8.361 -7.982 -0.778 1.00 0.00 C ATOM 681 O CYS A 47 8.557 -9.195 -0.703 1.00 0.00 O ATOM 682 CB CYS A 47 9.123 -6.989 1.389 1.00 0.00 C ATOM 683 SG CYS A 47 7.600 -6.155 1.936 1.00 0.00 S ATOM 0 H CYS A 47 8.177 -5.298 -0.588 1.00 0.00 H new ATOM 0 HA CYS A 47 10.344 -7.304 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.108 -8.019 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.979 -6.503 1.857 1.00 0.00 H new ATOM 0 HG CYS A 47 6.645 -6.394 1.087 1.00 0.00 H new ATOM 688 N SER A 48 7.320 -7.455 -1.416 1.00 0.00 N ATOM 689 CA SER A 48 6.325 -8.292 -2.076 1.00 0.00 C ATOM 690 C SER A 48 5.282 -8.785 -1.079 1.00 0.00 C ATOM 691 O SER A 48 4.881 -9.949 -1.107 1.00 0.00 O ATOM 692 CB SER A 48 7.001 -9.484 -2.757 1.00 0.00 C ATOM 693 OG SER A 48 6.373 -9.789 -3.991 1.00 0.00 O ATOM 0 H SER A 48 7.144 -6.453 -1.490 1.00 0.00 H new ATOM 0 HA SER A 48 5.822 -7.688 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.054 -9.261 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.961 -10.353 -2.100 1.00 0.00 H new ATOM 0 HG SER A 48 6.824 -10.553 -4.407 1.00 0.00 H new ATOM 699 N HIS A 49 4.848 -7.891 -0.195 1.00 0.00 N ATOM 700 CA HIS A 49 3.851 -8.234 0.813 1.00 0.00 C ATOM 701 C HIS A 49 2.520 -7.549 0.517 1.00 0.00 C ATOM 702 O HIS A 49 2.470 -6.339 0.300 1.00 0.00 O ATOM 703 CB HIS A 49 4.344 -7.837 2.205 1.00 0.00 C ATOM 704 CG HIS A 49 5.628 -8.500 2.596 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.967 -8.770 3.906 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.659 -8.948 1.843 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.150 -9.354 3.940 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.592 -9.475 2.701 1.00 0.00 N ATOM 0 H HIS A 49 5.171 -6.924 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 49 3.698 -9.313 0.784 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.478 -6.756 2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.577 -8.087 2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.734 -8.900 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.669 -9.678 4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.482 -9.892 2.427 1.00 0.00 H new ATOM 716 N ALA A 50 1.446 -8.331 0.507 1.00 0.00 N ATOM 717 CA ALA A 50 0.116 -7.799 0.238 1.00 0.00 C ATOM 718 C ALA A 50 -0.643 -7.537 1.535 1.00 0.00 C ATOM 719 O ALA A 50 -0.306 -8.087 2.584 1.00 0.00 O ATOM 720 CB ALA A 50 -0.666 -8.756 -0.650 1.00 0.00 C ATOM 0 H ALA A 50 1.471 -9.336 0.682 1.00 0.00 H new ATOM 0 HA ALA A 50 0.230 -6.849 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.657 -8.346 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.139 -8.889 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.763 -9.720 -0.150 1.00 0.00 H new ATOM 726 N PHE A 51 -1.668 -6.696 1.456 1.00 0.00 N ATOM 727 CA PHE A 51 -2.474 -6.360 2.624 1.00 0.00 C ATOM 728 C PHE A 51 -3.470 -5.251 2.298 1.00 0.00 C ATOM 729 O PHE A 51 -3.468 -4.705 1.193 1.00 0.00 O ATOM 730 CB PHE A 51 -1.574 -5.927 3.783 1.00 0.00 C ATOM 731 CG PHE A 51 -0.191 -5.528 3.353 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.908 -5.832 4.138 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.008 -4.849 2.161 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.182 -5.468 3.745 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.280 -4.482 1.762 1.00 0.00 C ATOM 736 CZ PHE A 51 2.368 -4.791 2.556 1.00 0.00 C ATOM 0 H PHE A 51 -1.961 -6.234 0.595 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.031 -7.250 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.040 -5.089 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.501 -6.744 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.768 -6.360 5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.839 -4.604 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.031 -5.713 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.423 -3.954 0.831 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.362 -4.503 2.247 1.00 0.00 H new ATOM 746 N HIS A 52 -4.322 -4.926 3.265 1.00 0.00 N ATOM 747 CA HIS A 52 -5.324 -3.882 3.081 1.00 0.00 C ATOM 748 C HIS A 52 -4.667 -2.510 2.968 1.00 0.00 C ATOM 749 O HIS A 52 -4.259 -1.921 3.970 1.00 0.00 O ATOM 750 CB HIS A 52 -6.319 -3.891 4.242 1.00 0.00 C ATOM 751 CG HIS A 52 -7.302 -5.018 4.181 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.866 -5.587 5.304 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.823 -5.683 3.123 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.689 -6.553 4.939 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.681 -6.631 3.621 1.00 0.00 N ATOM 0 H HIS A 52 -4.339 -5.370 4.183 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.858 -4.085 2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.768 -3.951 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.862 -2.946 4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.677 -5.306 6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.604 -5.501 2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.270 -7.174 5.605 1.00 0.00 H new ATOM 763 N LEU A 53 -4.565 -2.007 1.743 1.00 0.00 N ATOM 764 CA LEU A 53 -3.955 -0.704 1.499 1.00 0.00 C ATOM 765 C LEU A 53 -4.288 0.271 2.622 1.00 0.00 C ATOM 766 O LEU A 53 -3.421 0.640 3.416 1.00 0.00 O ATOM 767 CB LEU A 53 -4.433 -0.139 0.159 1.00 0.00 C ATOM 768 CG LEU A 53 -3.448 -0.250 -1.005 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.008 0.428 -2.245 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.103 0.353 -0.626 1.00 0.00 C ATOM 0 H LEU A 53 -4.897 -2.481 0.903 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.874 -0.836 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.354 -0.650 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.682 0.913 0.299 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.299 -1.306 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.293 0.339 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.946 -0.050 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.188 1.482 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.415 0.265 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.234 1.405 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.695 -0.179 0.234 1.00 0.00 H new ATOM 782 N LEU A 54 -5.548 0.684 2.686 1.00 0.00 N ATOM 783 CA LEU A 54 -5.997 1.616 3.716 1.00 0.00 C ATOM 784 C LEU A 54 -5.316 1.323 5.049 1.00 0.00 C ATOM 785 O LEU A 54 -4.573 2.153 5.574 1.00 0.00 O ATOM 786 CB LEU A 54 -7.516 1.537 3.878 1.00 0.00 C ATOM 787 CG LEU A 54 -8.123 2.420 4.968 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.231 3.621 5.239 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.522 2.869 4.574 1.00 0.00 C ATOM 0 H LEU A 54 -6.278 0.389 2.037 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.724 2.624 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.977 1.801 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.785 0.501 4.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.197 1.834 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.679 4.238 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.250 3.279 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.124 4.208 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.938 3.497 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.474 3.437 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.158 1.995 4.432 1.00 0.00 H new ATOM 801 N CYS A 55 -5.575 0.138 5.592 1.00 0.00 N ATOM 802 CA CYS A 55 -4.987 -0.266 6.863 1.00 0.00 C ATOM 803 C CYS A 55 -3.509 0.110 6.923 1.00 0.00 C ATOM 804 O CYS A 55 -3.057 0.744 7.878 1.00 0.00 O ATOM 805 CB CYS A 55 -5.149 -1.773 7.068 1.00 0.00 C ATOM 806 SG CYS A 55 -6.867 -2.303 7.360 1.00 0.00 S ATOM 0 H CYS A 55 -6.189 -0.559 5.171 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.511 0.261 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.764 -2.292 6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.536 -2.082 7.915 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.869 -3.442 7.987 1.00 0.00 H new ATOM 811 N LEU A 56 -2.763 -0.283 5.897 1.00 0.00 N ATOM 812 CA LEU A 56 -1.335 0.013 5.832 1.00 0.00 C ATOM 813 C LEU A 56 -1.081 1.508 5.990 1.00 0.00 C ATOM 814 O LEU A 56 -0.383 1.937 6.909 1.00 0.00 O ATOM 815 CB LEU A 56 -0.753 -0.477 4.506 1.00 0.00 C ATOM 816 CG LEU A 56 -0.993 -1.950 4.170 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.860 -2.185 2.674 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.027 -2.838 4.940 1.00 0.00 C ATOM 0 H LEU A 56 -3.122 -0.807 5.099 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.843 -0.509 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.170 0.131 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.322 -0.298 4.516 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.009 -2.209 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.034 -3.238 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.593 -1.578 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.143 -1.908 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.213 -3.882 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.997 -2.577 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.173 -2.692 6.010 1.00 0.00 H new ATOM 830 N LEU A 57 -1.655 2.298 5.089 1.00 0.00 N ATOM 831 CA LEU A 57 -1.493 3.748 5.130 1.00 0.00 C ATOM 832 C LEU A 57 -1.657 4.275 6.551 1.00 0.00 C ATOM 833 O LEU A 57 -0.860 5.088 7.018 1.00 0.00 O ATOM 834 CB LEU A 57 -2.509 4.421 4.204 1.00 0.00 C ATOM 835 CG LEU A 57 -2.276 5.904 3.916 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.378 6.078 2.701 1.00 0.00 C ATOM 837 CD2 LEU A 57 -3.602 6.621 3.710 1.00 0.00 C ATOM 0 H LEU A 57 -2.236 1.960 4.322 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.485 3.986 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.517 3.884 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.501 4.308 4.642 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.776 6.348 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.224 7.140 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.417 5.599 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.849 5.619 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.417 7.676 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.130 6.175 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.210 6.526 4.609 1.00 0.00 H new ATOM 849 N ALA A 58 -2.695 3.804 7.236 1.00 0.00 N ATOM 850 CA ALA A 58 -2.960 4.225 8.606 1.00 0.00 C ATOM 851 C ALA A 58 -1.781 3.902 9.517 1.00 0.00 C ATOM 852 O ALA A 58 -1.179 4.796 10.109 1.00 0.00 O ATOM 853 CB ALA A 58 -4.228 3.563 9.124 1.00 0.00 C ATOM 0 H ALA A 58 -3.365 3.131 6.864 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.101 5.306 8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.415 3.886 10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.071 3.848 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.108 2.480 9.101 1.00 0.00 H new ATOM 859 N MET A 59 -1.458 2.617 9.627 1.00 0.00 N ATOM 860 CA MET A 59 -0.350 2.176 10.467 1.00 0.00 C ATOM 861 C MET A 59 0.988 2.576 9.854 1.00 0.00 C ATOM 862 O MET A 59 2.037 2.433 10.484 1.00 0.00 O ATOM 863 CB MET A 59 -0.403 0.660 10.663 1.00 0.00 C ATOM 864 CG MET A 59 0.488 0.162 11.789 1.00 0.00 C ATOM 865 SD MET A 59 1.470 -1.274 11.314 1.00 0.00 S ATOM 866 CE MET A 59 2.128 -0.728 9.741 1.00 0.00 C ATOM 0 H MET A 59 -1.948 1.863 9.145 1.00 0.00 H new ATOM 0 HA MET A 59 -0.445 2.663 11.437 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.432 0.364 10.867 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.109 0.171 9.734 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.154 0.966 12.102 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.130 -0.094 12.650 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.108 -1.177 9.581 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.454 -1.032 8.940 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.223 0.358 9.743 1.00 0.00 H new ATOM 876 N TYR A 60 0.946 3.073 8.623 1.00 0.00 N ATOM 877 CA TYR A 60 2.156 3.490 7.925 1.00 0.00 C ATOM 878 C TYR A 60 2.815 4.669 8.634 1.00 0.00 C ATOM 879 O TYR A 60 3.973 4.997 8.372 1.00 0.00 O ATOM 880 CB TYR A 60 1.832 3.867 6.479 1.00 0.00 C ATOM 881 CG TYR A 60 2.133 5.310 6.147 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.955 5.640 5.076 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.598 6.344 6.904 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.235 6.958 4.769 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.870 7.665 6.603 1.00 0.00 C ATOM 886 CZ TYR A 60 2.689 7.967 5.536 1.00 0.00 C ATOM 887 OH TYR A 60 2.964 9.281 5.234 1.00 0.00 O ATOM 0 H TYR A 60 0.087 3.197 8.088 1.00 0.00 H new ATOM 0 HA TYR A 60 2.853 2.652 7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.401 3.223 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.776 3.672 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.382 4.853 4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.958 6.112 7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.877 7.197 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.443 8.457 7.201 1.00 0.00 H new ATOM 0 HH TYR A 60 2.501 9.866 5.869 1.00 0.00 H new ATOM 897 N CYS A 61 2.070 5.303 9.532 1.00 0.00 N ATOM 898 CA CYS A 61 2.580 6.446 10.280 1.00 0.00 C ATOM 899 C CYS A 61 3.661 6.012 11.266 1.00 0.00 C ATOM 900 O CYS A 61 4.335 6.846 11.869 1.00 0.00 O ATOM 901 CB CYS A 61 1.443 7.143 11.027 1.00 0.00 C ATOM 902 SG CYS A 61 1.382 6.769 12.796 1.00 0.00 S ATOM 0 H CYS A 61 1.110 5.045 9.760 1.00 0.00 H new ATOM 0 HA CYS A 61 3.020 7.146 9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.545 8.221 10.898 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.495 6.856 10.573 1.00 0.00 H new ATOM 0 HG CYS A 61 0.389 7.407 13.340 1.00 0.00 H new ATOM 908 N ASN A 62 3.818 4.703 11.425 1.00 0.00 N ATOM 909 CA ASN A 62 4.816 4.158 12.339 1.00 0.00 C ATOM 910 C ASN A 62 6.122 3.866 11.608 1.00 0.00 C ATOM 911 O ASN A 62 7.189 4.332 12.009 1.00 0.00 O ATOM 912 CB ASN A 62 4.291 2.881 12.998 1.00 0.00 C ATOM 913 CG ASN A 62 4.301 2.964 14.511 1.00 0.00 C ATOM 914 OD1 ASN A 62 5.282 2.599 15.159 1.00 0.00 O ATOM 915 ND2 ASN A 62 3.204 3.448 15.084 1.00 0.00 N ATOM 0 H ASN A 62 3.267 3.999 10.933 1.00 0.00 H new ATOM 0 HA ASN A 62 5.011 4.903 13.110 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.274 2.690 12.654 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.900 2.035 12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.152 3.529 16.099 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.414 3.739 14.508 1.00 0.00 H new ATOM 922 N GLY A 63 6.032 3.092 10.530 1.00 0.00 N ATOM 923 CA GLY A 63 7.213 2.752 9.760 1.00 0.00 C ATOM 924 C GLY A 63 7.166 3.307 8.349 1.00 0.00 C ATOM 925 O GLY A 63 6.319 4.141 8.032 1.00 0.00 O ATOM 0 H GLY A 63 5.161 2.695 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.097 3.136 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.315 1.668 9.717 1.00 0.00 H new ATOM 929 N ASN A 64 8.079 2.844 7.502 1.00 0.00 N ATOM 930 CA ASN A 64 8.139 3.302 6.119 1.00 0.00 C ATOM 931 C ASN A 64 7.986 4.818 6.040 1.00 0.00 C ATOM 932 O ASN A 64 8.970 5.556 6.100 1.00 0.00 O ATOM 933 CB ASN A 64 7.046 2.625 5.287 1.00 0.00 C ATOM 934 CG ASN A 64 7.418 1.210 4.888 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.870 0.418 5.715 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.229 0.887 3.614 1.00 0.00 N ATOM 0 H ASN A 64 8.787 2.152 7.749 1.00 0.00 H new ATOM 0 HA ASN A 64 9.115 3.031 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.117 2.607 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.858 3.215 4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.461 -0.050 3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.852 1.576 2.964 1.00 0.00 H new ATOM 943 N LYS A 65 6.746 5.276 5.905 1.00 0.00 N ATOM 944 CA LYS A 65 6.463 6.704 5.820 1.00 0.00 C ATOM 945 C LYS A 65 7.202 7.336 4.644 1.00 0.00 C ATOM 946 O LYS A 65 7.493 8.533 4.653 1.00 0.00 O ATOM 947 CB LYS A 65 6.860 7.403 7.121 1.00 0.00 C ATOM 948 CG LYS A 65 5.753 7.431 8.160 1.00 0.00 C ATOM 949 CD LYS A 65 5.442 8.850 8.607 1.00 0.00 C ATOM 950 CE LYS A 65 6.432 9.332 9.656 1.00 0.00 C ATOM 951 NZ LYS A 65 7.148 10.562 9.219 1.00 0.00 N ATOM 0 H LYS A 65 5.921 4.679 5.852 1.00 0.00 H new ATOM 0 HA LYS A 65 5.392 6.827 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.730 6.900 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.162 8.426 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.854 6.974 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.047 6.833 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.468 9.518 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.431 8.892 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.905 9.531 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.156 8.544 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.813 10.859 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.672 10.366 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.459 11.322 9.048 1.00 0.00 H new ATOM 965 N ASP A 66 7.501 6.526 3.635 1.00 0.00 N ATOM 966 CA ASP A 66 8.204 7.007 2.451 1.00 0.00 C ATOM 967 C ASP A 66 7.290 7.873 1.591 1.00 0.00 C ATOM 968 O ASP A 66 7.728 8.856 0.994 1.00 0.00 O ATOM 969 CB ASP A 66 8.733 5.830 1.632 1.00 0.00 C ATOM 970 CG ASP A 66 9.199 6.247 0.251 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.357 5.941 -0.102 1.00 0.00 O ATOM 972 OD2 ASP A 66 8.405 6.879 -0.477 1.00 0.00 O ATOM 0 H ASP A 66 7.268 5.533 3.613 1.00 0.00 H new ATOM 0 HA ASP A 66 9.046 7.616 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.561 5.363 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.950 5.077 1.536 1.00 0.00 H new ATOM 977 N GLY A 67 6.016 7.499 1.528 1.00 0.00 N ATOM 978 CA GLY A 67 5.059 8.250 0.736 1.00 0.00 C ATOM 979 C GLY A 67 4.010 7.362 0.097 1.00 0.00 C ATOM 980 O GLY A 67 3.640 7.561 -1.059 1.00 0.00 O ATOM 0 H GLY A 67 5.629 6.689 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.568 8.989 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.588 8.799 -0.042 1.00 0.00 H new ATOM 984 N SER A 68 3.533 6.376 0.850 1.00 0.00 N ATOM 985 CA SER A 68 2.525 5.450 0.348 1.00 0.00 C ATOM 986 C SER A 68 1.915 4.640 1.488 1.00 0.00 C ATOM 987 O SER A 68 0.738 4.792 1.814 1.00 0.00 O ATOM 988 CB SER A 68 3.138 4.509 -0.691 1.00 0.00 C ATOM 989 OG SER A 68 2.235 4.269 -1.757 1.00 0.00 O ATOM 0 H SER A 68 3.828 6.198 1.810 1.00 0.00 H new ATOM 0 HA SER A 68 1.734 6.034 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.059 4.943 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.406 3.564 -0.218 1.00 0.00 H new ATOM 0 HG SER A 68 2.651 3.666 -2.408 1.00 0.00 H new ATOM 995 N LEU A 69 2.727 3.777 2.091 1.00 0.00 N ATOM 996 CA LEU A 69 2.270 2.941 3.196 1.00 0.00 C ATOM 997 C LEU A 69 3.438 2.199 3.837 1.00 0.00 C ATOM 998 O LEU A 69 4.596 2.429 3.490 1.00 0.00 O ATOM 999 CB LEU A 69 1.224 1.938 2.703 1.00 0.00 C ATOM 1000 CG LEU A 69 1.614 1.105 1.483 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.281 1.849 0.199 1.00 0.00 C ATOM 1002 CD2 LEU A 69 3.094 0.754 1.529 1.00 0.00 C ATOM 0 H LEU A 69 3.704 3.638 1.833 1.00 0.00 H new ATOM 0 HA LEU A 69 1.819 3.589 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.988 1.258 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.310 2.483 2.468 1.00 0.00 H new ATOM 0 HG LEU A 69 1.040 0.179 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.566 1.240 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.210 2.050 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.828 2.792 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.355 0.161 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.685 1.670 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.304 0.180 2.431 1.00 0.00 H new ATOM 1014 N GLN A 70 3.125 1.307 4.772 1.00 0.00 N ATOM 1015 CA GLN A 70 4.150 0.531 5.460 1.00 0.00 C ATOM 1016 C GLN A 70 3.760 -0.941 5.534 1.00 0.00 C ATOM 1017 O GLN A 70 2.577 -1.280 5.554 1.00 0.00 O ATOM 1018 CB GLN A 70 4.376 1.083 6.868 1.00 0.00 C ATOM 1019 CG GLN A 70 5.651 0.573 7.524 1.00 0.00 C ATOM 1020 CD GLN A 70 5.490 0.346 9.014 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.624 0.942 9.654 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.327 -0.520 9.574 1.00 0.00 N ATOM 0 H GLN A 70 2.171 1.104 5.070 1.00 0.00 H new ATOM 0 HA GLN A 70 5.076 0.614 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.411 2.171 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.524 0.818 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.951 -0.361 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.454 1.290 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.030 -0.991 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.267 -0.714 10.574 1.00 0.00 H new ATOM 1031 N CYS A 71 4.763 -1.813 5.571 1.00 0.00 N ATOM 1032 CA CYS A 71 4.525 -3.249 5.641 1.00 0.00 C ATOM 1033 C CYS A 71 4.625 -3.747 7.080 1.00 0.00 C ATOM 1034 O CYS A 71 5.714 -3.912 7.632 1.00 0.00 O ATOM 1035 CB CYS A 71 5.529 -3.996 4.760 1.00 0.00 C ATOM 1036 SG CYS A 71 5.541 -5.800 5.013 1.00 0.00 S ATOM 0 H CYS A 71 5.748 -1.549 5.554 1.00 0.00 H new ATOM 0 HA CYS A 71 3.516 -3.444 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.304 -3.788 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.528 -3.606 4.955 1.00 0.00 H new ATOM 0 HG CYS A 71 6.273 -6.362 4.097 1.00 0.00 H new ATOM 1041 N PRO A 72 3.463 -3.993 7.703 1.00 0.00 N ATOM 1042 CA PRO A 72 3.393 -4.476 9.085 1.00 0.00 C ATOM 1043 C PRO A 72 3.883 -5.914 9.222 1.00 0.00 C ATOM 1044 O PRO A 72 4.082 -6.408 10.331 1.00 0.00 O ATOM 1045 CB PRO A 72 1.901 -4.386 9.417 1.00 0.00 C ATOM 1046 CG PRO A 72 1.214 -4.480 8.098 1.00 0.00 C ATOM 1047 CD PRO A 72 2.129 -3.818 7.106 1.00 0.00 C ATOM 0 HA PRO A 72 4.028 -3.894 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.594 -5.193 10.082 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.663 -3.449 9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.031 -5.520 7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.244 -3.983 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.064 -4.287 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.883 -2.764 6.973 1.00 0.00 H new ATOM 1055 N SER A 73 4.075 -6.579 8.088 1.00 0.00 N ATOM 1056 CA SER A 73 4.539 -7.962 8.082 1.00 0.00 C ATOM 1057 C SER A 73 5.994 -8.048 8.532 1.00 0.00 C ATOM 1058 O SER A 73 6.298 -8.619 9.580 1.00 0.00 O ATOM 1059 CB SER A 73 4.389 -8.566 6.684 1.00 0.00 C ATOM 1060 OG SER A 73 3.498 -9.669 6.698 1.00 0.00 O ATOM 0 H SER A 73 3.917 -6.183 7.161 1.00 0.00 H new ATOM 0 HA SER A 73 3.926 -8.529 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.022 -7.807 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.364 -8.886 6.316 1.00 0.00 H new ATOM 0 HG SER A 73 3.418 -10.036 5.793 1.00 0.00 H new ATOM 1066 N CYS A 74 6.889 -7.478 7.733 1.00 0.00 N ATOM 1067 CA CYS A 74 8.313 -7.490 8.046 1.00 0.00 C ATOM 1068 C CYS A 74 8.833 -6.073 8.267 1.00 0.00 C ATOM 1069 O CYS A 74 10.027 -5.808 8.126 1.00 0.00 O ATOM 1070 CB CYS A 74 9.099 -8.164 6.920 1.00 0.00 C ATOM 1071 SG CYS A 74 9.289 -7.137 5.428 1.00 0.00 S ATOM 0 H CYS A 74 6.653 -7.001 6.863 1.00 0.00 H new ATOM 0 HA CYS A 74 8.452 -8.057 8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.088 -8.432 7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.598 -9.093 6.647 1.00 0.00 H new ATOM 0 HG CYS A 74 9.763 -5.973 5.760 1.00 0.00 H new ATOM 1076 N LYS A 75 7.928 -5.164 8.615 1.00 0.00 N ATOM 1077 CA LYS A 75 8.294 -3.773 8.858 1.00 0.00 C ATOM 1078 C LYS A 75 9.213 -3.253 7.758 1.00 0.00 C ATOM 1079 O LYS A 75 10.267 -2.678 8.034 1.00 0.00 O ATOM 1080 CB LYS A 75 8.980 -3.634 10.219 1.00 0.00 C ATOM 1081 CG LYS A 75 8.059 -3.914 11.395 1.00 0.00 C ATOM 1082 CD LYS A 75 8.000 -2.733 12.349 1.00 0.00 C ATOM 1083 CE LYS A 75 7.896 -3.191 13.796 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.227 -2.096 14.750 1.00 0.00 N ATOM 0 H LYS A 75 6.935 -5.366 8.735 1.00 0.00 H new ATOM 0 HA LYS A 75 7.381 -3.178 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.828 -4.318 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.380 -2.624 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.057 -4.138 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.408 -4.798 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.891 -2.118 12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.143 -2.107 12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.885 -3.550 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.570 -4.032 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.144 -2.448 15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.200 -1.770 14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.568 -1.304 14.611 1.00 0.00 H new ATOM 1098 N THR A 76 8.809 -3.457 6.508 1.00 0.00 N ATOM 1099 CA THR A 76 9.597 -3.009 5.366 1.00 0.00 C ATOM 1100 C THR A 76 8.948 -1.808 4.688 1.00 0.00 C ATOM 1101 O THR A 76 9.656 -0.879 4.302 1.00 0.00 O ATOM 1102 CB THR A 76 9.776 -4.135 4.330 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.930 -4.918 4.654 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.922 -3.561 2.929 1.00 0.00 C ATOM 0 H THR A 76 7.940 -3.930 6.261 1.00 0.00 H new ATOM 0 HA THR A 76 10.575 -2.721 5.750 1.00 0.00 H new ATOM 0 HB THR A 76 8.889 -4.768 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.749 -5.862 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 76 10.047 -4.374 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.030 -2.989 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.794 -2.908 2.892 1.00 0.00 H new