USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 52 SER OG : rot 180:sc= -1.03 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -1 K(o=-2,f=1.7) USER MOD Set 2.1: A 21 THR OG1 : rot 112:sc= 0.0112 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.00987 USER MOD Single : A 1 ALA N :NH3+ -176:sc= -0.132 (180deg=-0.144) USER MOD Single : A 7 SER OG : rot 89:sc= -0.146 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -167:sc= 0.593 USER MOD Single : A 19 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.7!) USER MOD Single : A 20 MET CE :methyl -110:sc= -2.32 (180deg=-7.89!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.62) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -96:sc= -1.58! USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0.751 (180deg=-0.453) USER MOD Single : A 49 THR OG1 : rot -117:sc= -1.06 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -13.2! C(o=-13!,f=-6.7!) USER MOD Single : A 67 ASN : amide:sc= -1.42! C(o=-1.4!,f=-1.8!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -140:sc= -1.13 (180deg=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.587 -13.711 8.326 1.00 0.00 N ATOM 2 CA ALA A 1 -23.455 -14.630 8.306 1.00 0.00 C ATOM 3 C ALA A 1 -23.539 -15.578 7.114 1.00 0.00 C ATOM 4 O ALA A 1 -22.702 -16.467 6.957 1.00 0.00 O ATOM 5 CB ALA A 1 -23.393 -15.418 9.607 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.471 -13.034 9.107 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.631 -13.195 7.424 1.00 0.00 H new ATOM 0 H3 ALA A 1 -25.467 -14.248 8.462 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.542 -14.043 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.543 -16.100 9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.278 -14.730 10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.313 -15.989 9.731 1.00 0.00 H new ATOM 11 N LEU A 2 -24.552 -15.382 6.279 1.00 0.00 N ATOM 12 CA LEU A 2 -24.745 -16.221 5.100 1.00 0.00 C ATOM 13 C LEU A 2 -23.972 -15.668 3.907 1.00 0.00 C ATOM 14 O LEU A 2 -24.150 -16.122 2.776 1.00 0.00 O ATOM 15 CB LEU A 2 -26.232 -16.319 4.759 1.00 0.00 C ATOM 16 CG LEU A 2 -27.193 -16.360 5.947 1.00 0.00 C ATOM 17 CD1 LEU A 2 -28.191 -15.214 5.868 1.00 0.00 C ATOM 18 CD2 LEU A 2 -27.918 -17.697 6.002 1.00 0.00 C ATOM 0 H LEU A 2 -25.253 -14.650 6.395 1.00 0.00 H new ATOM 0 HA LEU A 2 -24.364 -17.217 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -26.497 -15.467 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -26.388 -17.216 4.160 1.00 0.00 H new ATOM 0 HG LEU A 2 -26.612 -16.246 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -28.866 -15.260 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -27.656 -14.264 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -28.766 -15.295 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -28.598 -17.708 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -28.486 -17.841 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -27.190 -18.501 6.108 1.00 0.00 H new ATOM 30 N ASP A 3 -23.115 -14.687 4.166 1.00 0.00 N ATOM 31 CA ASP A 3 -22.312 -14.074 3.115 1.00 0.00 C ATOM 32 C ASP A 3 -21.079 -13.392 3.698 1.00 0.00 C ATOM 33 O ASP A 3 -21.096 -12.877 4.816 1.00 0.00 O ATOM 34 CB ASP A 3 -23.148 -13.061 2.330 1.00 0.00 C ATOM 35 CG ASP A 3 -24.140 -12.325 3.210 1.00 0.00 C ATOM 36 OD1 ASP A 3 -25.329 -12.255 2.834 1.00 0.00 O ATOM 37 OD2 ASP A 3 -23.727 -11.820 4.275 1.00 0.00 O ATOM 0 H ASP A 3 -22.958 -14.299 5.096 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.982 -14.863 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -22.485 -12.340 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -23.685 -13.576 1.534 1.00 0.00 H new ATOM 42 N PRO A 4 -19.983 -13.388 2.926 1.00 0.00 N ATOM 43 CA PRO A 4 -18.721 -12.772 3.346 1.00 0.00 C ATOM 44 C PRO A 4 -18.807 -11.252 3.401 1.00 0.00 C ATOM 45 O PRO A 4 -19.845 -10.666 3.090 1.00 0.00 O ATOM 46 CB PRO A 4 -17.733 -13.213 2.263 1.00 0.00 C ATOM 47 CG PRO A 4 -18.577 -13.470 1.062 1.00 0.00 C ATOM 48 CD PRO A 4 -19.892 -13.983 1.582 1.00 0.00 C ATOM 0 HA PRO A 4 -18.435 -13.076 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -16.990 -12.440 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.189 -14.109 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -18.716 -12.559 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -18.106 -14.200 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.723 -13.673 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.911 -15.072 1.623 1.00 0.00 H new ATOM 56 N LEU A 5 -17.711 -10.615 3.798 1.00 0.00 N ATOM 57 CA LEU A 5 -17.663 -9.160 3.893 1.00 0.00 C ATOM 58 C LEU A 5 -17.179 -8.545 2.584 1.00 0.00 C ATOM 59 O LEU A 5 -17.981 -8.189 1.720 1.00 0.00 O ATOM 60 CB LEU A 5 -16.743 -8.734 5.040 1.00 0.00 C ATOM 61 CG LEU A 5 -17.276 -8.978 6.452 1.00 0.00 C ATOM 62 CD1 LEU A 5 -16.155 -9.437 7.373 1.00 0.00 C ATOM 63 CD2 LEU A 5 -17.934 -7.719 6.998 1.00 0.00 C ATOM 0 H LEU A 5 -16.843 -11.083 4.059 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.672 -8.800 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.795 -9.262 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.529 -7.671 4.932 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.027 -9.766 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.552 -9.606 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.727 -10.364 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.381 -8.670 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.308 -7.911 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.203 -6.911 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.763 -7.432 6.351 1.00 0.00 H new ATOM 75 N VAL A 6 -15.863 -8.424 2.443 1.00 0.00 N ATOM 76 CA VAL A 6 -15.272 -7.855 1.237 1.00 0.00 C ATOM 77 C VAL A 6 -15.465 -6.343 1.192 1.00 0.00 C ATOM 78 O VAL A 6 -16.591 -5.848 1.254 1.00 0.00 O ATOM 79 CB VAL A 6 -15.881 -8.476 -0.034 1.00 0.00 C ATOM 80 CG1 VAL A 6 -15.034 -8.140 -1.252 1.00 0.00 C ATOM 81 CG2 VAL A 6 -16.024 -9.983 0.127 1.00 0.00 C ATOM 0 H VAL A 6 -15.186 -8.712 3.149 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.207 -8.083 1.269 1.00 0.00 H new ATOM 0 HB VAL A 6 -16.874 -8.053 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.480 -8.587 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.987 -7.058 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.027 -8.533 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.456 -10.406 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.043 -10.425 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -16.676 -10.198 0.974 1.00 0.00 H new ATOM 91 N SER A 7 -14.359 -5.614 1.082 1.00 0.00 N ATOM 92 CA SER A 7 -14.406 -4.157 1.032 1.00 0.00 C ATOM 93 C SER A 7 -13.135 -3.595 0.402 1.00 0.00 C ATOM 94 O SER A 7 -13.178 -2.964 -0.655 1.00 0.00 O ATOM 95 CB SER A 7 -14.589 -3.583 2.438 1.00 0.00 C ATOM 96 OG SER A 7 -14.905 -4.604 3.369 1.00 0.00 O ATOM 0 H SER A 7 -13.420 -6.008 1.026 1.00 0.00 H new ATOM 0 HA SER A 7 -15.256 -3.866 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.676 -3.074 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.383 -2.836 2.429 1.00 0.00 H new ATOM 0 HG SER A 7 -14.078 -4.981 3.734 1.00 0.00 H new ATOM 102 N CYS A 8 -12.003 -3.829 1.059 1.00 0.00 N ATOM 103 CA CYS A 8 -10.719 -3.346 0.566 1.00 0.00 C ATOM 104 C CYS A 8 -10.519 -3.729 -0.897 1.00 0.00 C ATOM 105 O CYS A 8 -10.950 -4.796 -1.336 1.00 0.00 O ATOM 106 CB CYS A 8 -9.578 -3.913 1.414 1.00 0.00 C ATOM 107 SG CYS A 8 -7.961 -3.136 1.098 1.00 0.00 S ATOM 0 H CYS A 8 -11.950 -4.350 1.934 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.714 -2.259 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.828 -3.792 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.498 -4.984 1.227 1.00 0.00 H new ATOM 112 N LYS A 9 -9.863 -2.850 -1.648 1.00 0.00 N ATOM 113 CA LYS A 9 -9.604 -3.095 -3.062 1.00 0.00 C ATOM 114 C LYS A 9 -8.115 -3.309 -3.313 1.00 0.00 C ATOM 115 O LYS A 9 -7.720 -3.850 -4.348 1.00 0.00 O ATOM 116 CB LYS A 9 -10.111 -1.922 -3.905 1.00 0.00 C ATOM 117 CG LYS A 9 -11.441 -1.363 -3.431 1.00 0.00 C ATOM 118 CD LYS A 9 -12.455 -1.301 -4.562 1.00 0.00 C ATOM 119 CE LYS A 9 -13.607 -0.366 -4.227 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.236 0.199 -5.452 1.00 0.00 N ATOM 0 H LYS A 9 -9.501 -1.962 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.137 -4.000 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.366 -1.126 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.211 -2.246 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.831 -1.984 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.291 -0.365 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.964 -0.963 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.842 -2.300 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.357 -0.906 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.244 0.446 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.017 0.831 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.527 0.736 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.605 -0.575 -6.041 1.00 0.00 H new ATOM 134 N LEU A 10 -7.292 -2.883 -2.361 1.00 0.00 N ATOM 135 CA LEU A 10 -5.846 -3.029 -2.478 1.00 0.00 C ATOM 136 C LEU A 10 -5.444 -4.501 -2.468 1.00 0.00 C ATOM 137 O LEU A 10 -4.613 -4.936 -3.266 1.00 0.00 O ATOM 138 CB LEU A 10 -5.144 -2.290 -1.338 1.00 0.00 C ATOM 139 CG LEU A 10 -4.910 -0.794 -1.553 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.641 -0.100 -0.226 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.755 -0.568 -2.518 1.00 0.00 C ATOM 0 H LEU A 10 -7.602 -2.434 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.538 -2.593 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.734 -2.419 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.180 -2.767 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.812 -0.364 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.477 0.964 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.498 -0.233 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.755 -0.533 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.603 0.502 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.847 -1.013 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.986 -1.031 -3.477 1.00 0.00 H new ATOM 153 N CYS A 11 -6.042 -5.266 -1.560 1.00 0.00 N ATOM 154 CA CYS A 11 -5.750 -6.689 -1.446 1.00 0.00 C ATOM 155 C CYS A 11 -7.006 -7.523 -1.679 1.00 0.00 C ATOM 156 O CYS A 11 -6.997 -8.743 -1.508 1.00 0.00 O ATOM 157 CB CYS A 11 -5.167 -7.002 -0.065 1.00 0.00 C ATOM 158 SG CYS A 11 -6.344 -6.782 1.307 1.00 0.00 S ATOM 0 H CYS A 11 -6.732 -4.923 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.017 -6.946 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.807 -8.031 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.302 -6.361 0.106 1.00 0.00 H new ATOM 163 N LEU A 12 -8.087 -6.857 -2.072 1.00 0.00 N ATOM 164 CA LEU A 12 -9.352 -7.535 -2.331 1.00 0.00 C ATOM 165 C LEU A 12 -9.704 -8.484 -1.189 1.00 0.00 C ATOM 166 O LEU A 12 -10.446 -9.448 -1.375 1.00 0.00 O ATOM 167 CB LEU A 12 -9.278 -8.310 -3.648 1.00 0.00 C ATOM 168 CG LEU A 12 -9.152 -7.466 -4.916 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.727 -7.506 -5.444 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.130 -7.950 -5.977 1.00 0.00 C ATOM 0 H LEU A 12 -8.112 -5.848 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.133 -6.778 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.426 -8.988 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.172 -8.928 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.397 -6.433 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.656 -6.900 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.048 -7.112 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.454 -8.535 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.027 -7.338 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.916 -8.990 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.148 -7.869 -5.597 1.00 0.00 H new ATOM 182 N GLY A 13 -9.168 -8.203 -0.005 1.00 0.00 N ATOM 183 CA GLY A 13 -9.439 -9.038 1.150 1.00 0.00 C ATOM 184 C GLY A 13 -10.857 -8.877 1.661 1.00 0.00 C ATOM 185 O GLY A 13 -11.795 -9.442 1.099 1.00 0.00 O ATOM 0 H GLY A 13 -8.551 -7.411 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.267 -10.082 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.738 -8.789 1.947 1.00 0.00 H new ATOM 189 N GLU A 14 -11.014 -8.107 2.733 1.00 0.00 N ATOM 190 CA GLU A 14 -12.328 -7.877 3.322 1.00 0.00 C ATOM 191 C GLU A 14 -12.208 -7.132 4.648 1.00 0.00 C ATOM 192 O GLU A 14 -12.358 -5.911 4.704 1.00 0.00 O ATOM 193 CB GLU A 14 -13.056 -9.205 3.535 1.00 0.00 C ATOM 194 CG GLU A 14 -12.127 -10.363 3.861 1.00 0.00 C ATOM 195 CD GLU A 14 -12.694 -11.284 4.924 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.922 -11.247 5.147 1.00 0.00 O ATOM 197 OE2 GLU A 14 -11.910 -12.043 5.531 1.00 0.00 O ATOM 0 H GLU A 14 -10.248 -7.632 3.211 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.904 -7.262 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.776 -9.089 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.623 -9.447 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.935 -10.936 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.168 -9.971 4.199 1.00 0.00 H new ATOM 204 N TYR A 15 -11.936 -7.876 5.715 1.00 0.00 N ATOM 205 CA TYR A 15 -11.798 -7.288 7.042 1.00 0.00 C ATOM 206 C TYR A 15 -13.073 -6.556 7.449 1.00 0.00 C ATOM 207 O TYR A 15 -13.802 -6.015 6.617 1.00 0.00 O ATOM 208 CB TYR A 15 -10.611 -6.325 7.075 1.00 0.00 C ATOM 209 CG TYR A 15 -9.393 -6.839 6.342 1.00 0.00 C ATOM 210 CD1 TYR A 15 -8.363 -7.472 7.026 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.271 -6.689 4.966 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.247 -7.943 6.360 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.160 -7.158 4.292 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.151 -7.785 4.994 1.00 0.00 C ATOM 215 OH TYR A 15 -6.042 -8.252 4.326 1.00 0.00 O ATOM 0 H TYR A 15 -11.807 -8.887 5.686 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.622 -8.095 7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.914 -5.374 6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.343 -6.127 8.113 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.435 -7.598 8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.058 -6.197 4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.455 -8.432 6.907 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.082 -7.035 3.222 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.028 -7.884 3.418 1.00 0.00 H new ATOM 225 N PRO A 16 -13.351 -6.540 8.762 1.00 0.00 N ATOM 226 CA PRO A 16 -14.538 -5.877 9.311 1.00 0.00 C ATOM 227 C PRO A 16 -14.453 -4.359 9.209 1.00 0.00 C ATOM 228 O PRO A 16 -13.363 -3.790 9.143 1.00 0.00 O ATOM 229 CB PRO A 16 -14.541 -6.315 10.778 1.00 0.00 C ATOM 230 CG PRO A 16 -13.117 -6.626 11.084 1.00 0.00 C ATOM 231 CD PRO A 16 -12.527 -7.165 9.810 1.00 0.00 C ATOM 0 HA PRO A 16 -15.444 -6.148 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.922 -5.525 11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.178 -7.187 10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.585 -5.734 11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.042 -7.357 11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.476 -6.896 9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.583 -8.253 9.770 1.00 0.00 H new ATOM 239 N VAL A 17 -15.611 -3.705 9.197 1.00 0.00 N ATOM 240 CA VAL A 17 -15.668 -2.251 9.104 1.00 0.00 C ATOM 241 C VAL A 17 -14.897 -1.598 10.246 1.00 0.00 C ATOM 242 O VAL A 17 -14.572 -0.412 10.190 1.00 0.00 O ATOM 243 CB VAL A 17 -17.121 -1.743 9.124 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.365 -0.867 10.343 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.439 -0.988 7.842 1.00 0.00 C ATOM 0 H VAL A 17 -16.522 -4.160 9.251 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.209 -1.976 8.154 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.787 -2.604 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.398 -0.518 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.181 -1.445 11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.692 -0.010 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.470 -0.636 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.767 -0.135 7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.308 -1.651 6.987 1.00 0.00 H new ATOM 255 N GLU A 18 -14.608 -2.379 11.281 1.00 0.00 N ATOM 256 CA GLU A 18 -13.875 -1.875 12.437 1.00 0.00 C ATOM 257 C GLU A 18 -12.385 -2.181 12.312 1.00 0.00 C ATOM 258 O GLU A 18 -11.626 -2.014 13.266 1.00 0.00 O ATOM 259 CB GLU A 18 -14.426 -2.491 13.726 1.00 0.00 C ATOM 260 CG GLU A 18 -14.729 -3.974 13.611 1.00 0.00 C ATOM 261 CD GLU A 18 -14.487 -4.721 14.909 1.00 0.00 C ATOM 262 OE1 GLU A 18 -13.333 -4.720 15.388 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.451 -5.307 15.446 1.00 0.00 O ATOM 0 H GLU A 18 -14.870 -3.363 11.343 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.005 -0.793 12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.705 -2.337 14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.337 -1.964 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.768 -4.106 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.110 -4.408 12.826 1.00 0.00 H new ATOM 270 N GLN A 19 -11.976 -2.628 11.129 1.00 0.00 N ATOM 271 CA GLN A 19 -10.577 -2.958 10.880 1.00 0.00 C ATOM 272 C GLN A 19 -10.017 -2.121 9.736 1.00 0.00 C ATOM 273 O GLN A 19 -8.803 -2.021 9.564 1.00 0.00 O ATOM 274 CB GLN A 19 -10.432 -4.446 10.559 1.00 0.00 C ATOM 275 CG GLN A 19 -10.126 -5.304 11.776 1.00 0.00 C ATOM 276 CD GLN A 19 -9.874 -6.756 11.418 1.00 0.00 C ATOM 277 OE1 GLN A 19 -9.242 -7.057 10.405 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.368 -7.666 12.250 1.00 0.00 N ATOM 0 H GLN A 19 -12.592 -2.770 10.329 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.009 -2.732 11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.353 -4.801 10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.637 -4.575 9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.251 -4.903 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.960 -5.246 12.476 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.886 -7.372 13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.230 -8.659 12.061 1.00 0.00 H new ATOM 287 N MET A 20 -10.910 -1.521 8.955 1.00 0.00 N ATOM 288 CA MET A 20 -10.503 -0.692 7.827 1.00 0.00 C ATOM 289 C MET A 20 -10.318 0.759 8.257 1.00 0.00 C ATOM 290 O MET A 20 -10.627 1.126 9.391 1.00 0.00 O ATOM 291 CB MET A 20 -11.542 -0.775 6.706 1.00 0.00 C ATOM 292 CG MET A 20 -12.343 -2.066 6.713 1.00 0.00 C ATOM 293 SD MET A 20 -12.539 -2.771 5.065 1.00 0.00 S ATOM 294 CE MET A 20 -10.829 -3.035 4.603 1.00 0.00 C ATOM 0 H MET A 20 -11.919 -1.594 9.083 1.00 0.00 H new ATOM 0 HA MET A 20 -9.548 -1.067 7.458 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.227 0.068 6.794 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.036 -0.676 5.745 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.849 -2.792 7.358 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.327 -1.876 7.142 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.552 -2.333 3.817 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.189 -2.878 5.471 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.704 -4.055 4.239 1.00 0.00 H new ATOM 304 N THR A 21 -9.809 1.582 7.345 1.00 0.00 N ATOM 305 CA THR A 21 -9.581 2.993 7.631 1.00 0.00 C ATOM 306 C THR A 21 -10.044 3.871 6.475 1.00 0.00 C ATOM 307 O THR A 21 -9.788 3.566 5.308 1.00 0.00 O ATOM 308 CB THR A 21 -8.093 3.276 7.912 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.679 2.585 9.097 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.847 4.768 8.076 1.00 0.00 C ATOM 0 H THR A 21 -9.547 1.295 6.402 1.00 0.00 H new ATOM 0 HA THR A 21 -10.163 3.233 8.521 1.00 0.00 H new ATOM 0 HB THR A 21 -7.511 2.920 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.049 1.873 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.789 4.943 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.136 5.287 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.439 5.145 8.910 1.00 0.00 H new ATOM 318 N THR A 22 -10.726 4.964 6.802 1.00 0.00 N ATOM 319 CA THR A 22 -11.225 5.886 5.790 1.00 0.00 C ATOM 320 C THR A 22 -10.106 6.774 5.257 1.00 0.00 C ATOM 321 O THR A 22 -9.286 7.283 6.022 1.00 0.00 O ATOM 322 CB THR A 22 -12.351 6.776 6.347 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.516 5.986 6.610 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.696 7.888 5.368 1.00 0.00 C ATOM 0 H THR A 22 -10.946 5.232 7.761 1.00 0.00 H new ATOM 0 HA THR A 22 -11.622 5.279 4.977 1.00 0.00 H new ATOM 0 HB THR A 22 -12.002 7.227 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.227 6.559 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.494 8.504 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.815 8.505 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.027 7.453 4.425 1.00 0.00 H new ATOM 332 N ILE A 23 -10.080 6.958 3.942 1.00 0.00 N ATOM 333 CA ILE A 23 -9.062 7.787 3.307 1.00 0.00 C ATOM 334 C ILE A 23 -8.951 9.144 3.996 1.00 0.00 C ATOM 335 O ILE A 23 -8.128 9.331 4.892 1.00 0.00 O ATOM 336 CB ILE A 23 -9.366 8.006 1.813 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.213 6.694 1.042 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.449 9.075 1.237 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.914 5.974 1.325 1.00 0.00 C ATOM 0 H ILE A 23 -10.752 6.545 3.295 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.116 7.254 3.402 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.397 8.347 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.045 6.036 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.279 6.900 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.676 9.218 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.602 10.012 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.411 8.761 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.875 5.053 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.076 6.614 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.854 5.736 2.387 1.00 0.00 H new ATOM 351 N ALA A 24 -9.785 10.087 3.571 1.00 0.00 N ATOM 352 CA ALA A 24 -9.783 11.425 4.149 1.00 0.00 C ATOM 353 C ALA A 24 -10.486 12.420 3.232 1.00 0.00 C ATOM 354 O ALA A 24 -10.925 13.481 3.674 1.00 0.00 O ATOM 355 CB ALA A 24 -8.358 11.877 4.430 1.00 0.00 C ATOM 0 H ALA A 24 -10.471 9.949 2.829 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.332 11.388 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.372 12.878 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.889 11.186 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.791 11.891 3.499 1.00 0.00 H new ATOM 361 N GLN A 25 -10.587 12.071 1.954 1.00 0.00 N ATOM 362 CA GLN A 25 -11.235 12.935 0.975 1.00 0.00 C ATOM 363 C GLN A 25 -12.383 12.209 0.282 1.00 0.00 C ATOM 364 O GLN A 25 -13.518 12.684 0.275 1.00 0.00 O ATOM 365 CB GLN A 25 -10.220 13.417 -0.063 1.00 0.00 C ATOM 366 CG GLN A 25 -9.671 14.806 0.222 1.00 0.00 C ATOM 367 CD GLN A 25 -10.763 15.817 0.514 1.00 0.00 C ATOM 368 OE1 GLN A 25 -11.357 16.388 -0.401 1.00 0.00 O ATOM 369 NE2 GLN A 25 -11.036 16.041 1.794 1.00 0.00 N ATOM 0 H GLN A 25 -10.228 11.196 1.572 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.642 13.798 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.392 12.710 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.690 13.416 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.991 14.756 1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.087 15.144 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.519 15.545 2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.763 16.709 2.051 1.00 0.00 H new ATOM 378 N CYS A 26 -12.079 11.054 -0.301 1.00 0.00 N ATOM 379 CA CYS A 26 -13.083 10.260 -0.998 1.00 0.00 C ATOM 380 C CYS A 26 -13.913 9.444 -0.011 1.00 0.00 C ATOM 381 O CYS A 26 -15.088 9.169 -0.254 1.00 0.00 O ATOM 382 CB CYS A 26 -12.416 9.330 -2.013 1.00 0.00 C ATOM 383 SG CYS A 26 -11.235 8.154 -1.276 1.00 0.00 S ATOM 0 H CYS A 26 -11.144 10.647 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.748 10.944 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.189 8.771 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.896 9.934 -2.757 1.00 0.00 H new ATOM 388 N GLN A 27 -13.294 9.063 1.100 1.00 0.00 N ATOM 389 CA GLN A 27 -13.975 8.278 2.123 1.00 0.00 C ATOM 390 C GLN A 27 -14.119 6.824 1.687 1.00 0.00 C ATOM 391 O GLN A 27 -15.195 6.236 1.799 1.00 0.00 O ATOM 392 CB GLN A 27 -15.352 8.874 2.420 1.00 0.00 C ATOM 393 CG GLN A 27 -15.354 10.392 2.499 1.00 0.00 C ATOM 394 CD GLN A 27 -14.967 10.905 3.872 1.00 0.00 C ATOM 395 OE1 GLN A 27 -15.704 10.732 4.843 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.805 11.541 3.960 1.00 0.00 N ATOM 0 H GLN A 27 -12.322 9.285 1.316 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.372 8.307 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.050 8.558 1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.718 8.469 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.662 10.792 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.346 10.764 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.226 11.662 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.492 11.909 4.858 1.00 0.00 H new ATOM 405 N CYS A 28 -13.029 6.249 1.190 1.00 0.00 N ATOM 406 CA CYS A 28 -13.034 4.864 0.737 1.00 0.00 C ATOM 407 C CYS A 28 -12.692 3.915 1.882 1.00 0.00 C ATOM 408 O CYS A 28 -12.468 4.346 3.013 1.00 0.00 O ATOM 409 CB CYS A 28 -12.037 4.678 -0.410 1.00 0.00 C ATOM 410 SG CYS A 28 -12.603 5.354 -2.004 1.00 0.00 S ATOM 0 H CYS A 28 -12.131 6.722 1.091 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.037 4.628 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.095 5.155 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.833 3.614 -0.531 1.00 0.00 H new ATOM 415 N ILE A 29 -12.654 2.622 1.579 1.00 0.00 N ATOM 416 CA ILE A 29 -12.338 1.612 2.583 1.00 0.00 C ATOM 417 C ILE A 29 -11.067 0.853 2.217 1.00 0.00 C ATOM 418 O ILE A 29 -10.952 0.304 1.122 1.00 0.00 O ATOM 419 CB ILE A 29 -13.492 0.608 2.753 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.668 0.245 4.229 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.234 -0.641 1.922 1.00 0.00 C ATOM 422 CD1 ILE A 29 -13.956 1.437 5.113 1.00 0.00 C ATOM 0 H ILE A 29 -12.838 2.249 0.648 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.185 2.139 3.525 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.413 1.072 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.483 -0.473 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.764 -0.250 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.059 -1.342 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.153 -0.368 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.305 -1.109 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.069 1.106 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.131 2.146 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.876 1.920 4.784 1.00 0.00 H new ATOM 434 N PHE A 30 -10.115 0.825 3.144 1.00 0.00 N ATOM 435 CA PHE A 30 -8.851 0.132 2.920 1.00 0.00 C ATOM 436 C PHE A 30 -8.243 -0.330 4.242 1.00 0.00 C ATOM 437 O PHE A 30 -7.962 0.480 5.126 1.00 0.00 O ATOM 438 CB PHE A 30 -7.868 1.044 2.184 1.00 0.00 C ATOM 439 CG PHE A 30 -8.291 1.374 0.782 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.326 0.393 -0.195 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.655 2.667 0.440 1.00 0.00 C ATOM 442 CE1 PHE A 30 -8.716 0.693 -1.487 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.045 2.974 -0.850 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.075 1.985 -1.814 1.00 0.00 C ATOM 0 H PHE A 30 -10.194 1.274 4.057 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.050 -0.746 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.752 1.970 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.890 0.563 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.045 -0.619 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.634 3.444 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.740 -0.082 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.326 3.985 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.379 2.223 -2.823 1.00 0.00 H new ATOM 454 N CYS A 31 -8.043 -1.638 4.369 1.00 0.00 N ATOM 455 CA CYS A 31 -7.470 -2.210 5.581 1.00 0.00 C ATOM 456 C CYS A 31 -6.111 -1.584 5.888 1.00 0.00 C ATOM 457 O CYS A 31 -5.214 -1.576 5.043 1.00 0.00 O ATOM 458 CB CYS A 31 -7.324 -3.725 5.435 1.00 0.00 C ATOM 459 SG CYS A 31 -5.940 -4.242 4.370 1.00 0.00 S ATOM 0 H CYS A 31 -8.270 -2.322 3.647 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.145 -1.995 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.190 -4.163 6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.251 -4.131 5.030 1.00 0.00 H new ATOM 464 N THR A 32 -5.967 -1.062 7.101 1.00 0.00 N ATOM 465 CA THR A 32 -4.721 -0.435 7.520 1.00 0.00 C ATOM 466 C THR A 32 -3.518 -1.129 6.892 1.00 0.00 C ATOM 467 O THR A 32 -2.649 -0.480 6.307 1.00 0.00 O ATOM 468 CB THR A 32 -4.568 -0.455 9.052 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.731 0.109 9.668 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.332 0.321 9.484 1.00 0.00 C ATOM 0 H THR A 32 -6.699 -1.061 7.811 1.00 0.00 H new ATOM 0 HA THR A 32 -4.759 0.600 7.180 1.00 0.00 H new ATOM 0 HB THR A 32 -4.455 -1.492 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.626 0.091 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.246 0.292 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.445 -0.129 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.419 1.356 9.154 1.00 0.00 H new ATOM 478 N LEU A 33 -3.471 -2.450 7.016 1.00 0.00 N ATOM 479 CA LEU A 33 -2.374 -3.234 6.459 1.00 0.00 C ATOM 480 C LEU A 33 -2.018 -2.751 5.057 1.00 0.00 C ATOM 481 O LEU A 33 -0.846 -2.549 4.736 1.00 0.00 O ATOM 482 CB LEU A 33 -2.747 -4.717 6.421 1.00 0.00 C ATOM 483 CG LEU A 33 -2.576 -5.487 7.731 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.778 -6.384 7.984 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.293 -6.304 7.705 1.00 0.00 C ATOM 0 H LEU A 33 -4.181 -3.002 7.498 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.503 -3.102 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.787 -4.801 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.142 -5.203 5.656 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.508 -4.768 8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.638 -6.924 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.680 -5.775 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.879 -7.097 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.187 -6.845 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.331 -7.014 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.440 -5.638 7.572 1.00 0.00 H new ATOM 497 N CYS A 34 -3.036 -2.567 4.223 1.00 0.00 N ATOM 498 CA CYS A 34 -2.832 -2.108 2.854 1.00 0.00 C ATOM 499 C CYS A 34 -2.635 -0.595 2.814 1.00 0.00 C ATOM 500 O CYS A 34 -1.614 -0.103 2.329 1.00 0.00 O ATOM 501 CB CYS A 34 -4.023 -2.502 1.979 1.00 0.00 C ATOM 502 SG CYS A 34 -4.179 -4.294 1.699 1.00 0.00 S ATOM 0 H CYS A 34 -4.012 -2.729 4.472 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.932 -2.585 2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.939 -2.137 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.934 -2.001 1.015 1.00 0.00 H new ATOM 507 N LEU A 35 -3.617 0.138 3.326 1.00 0.00 N ATOM 508 CA LEU A 35 -3.553 1.595 3.349 1.00 0.00 C ATOM 509 C LEU A 35 -2.306 2.074 4.085 1.00 0.00 C ATOM 510 O LEU A 35 -1.945 3.249 4.019 1.00 0.00 O ATOM 511 CB LEU A 35 -4.804 2.170 4.015 1.00 0.00 C ATOM 512 CG LEU A 35 -5.091 3.648 3.742 1.00 0.00 C ATOM 513 CD1 LEU A 35 -4.337 4.529 4.725 1.00 0.00 C ATOM 514 CD2 LEU A 35 -4.723 4.006 2.309 1.00 0.00 C ATOM 0 H LEU A 35 -4.468 -0.253 3.731 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.503 1.948 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.665 1.587 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.714 2.031 5.092 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.159 3.822 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.554 5.576 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.650 4.290 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.266 4.353 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.934 5.061 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.662 3.816 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.310 3.398 1.620 1.00 0.00 H new ATOM 526 N LYS A 36 -1.648 1.155 4.783 1.00 0.00 N ATOM 527 CA LYS A 36 -0.439 1.481 5.529 1.00 0.00 C ATOM 528 C LYS A 36 0.806 1.248 4.677 1.00 0.00 C ATOM 529 O LYS A 36 1.466 2.198 4.257 1.00 0.00 O ATOM 530 CB LYS A 36 -0.359 0.639 6.805 1.00 0.00 C ATOM 531 CG LYS A 36 0.943 0.811 7.568 1.00 0.00 C ATOM 532 CD LYS A 36 1.589 -0.530 7.878 1.00 0.00 C ATOM 533 CE LYS A 36 2.169 -0.556 9.283 1.00 0.00 C ATOM 534 NZ LYS A 36 3.326 -1.488 9.387 1.00 0.00 N ATOM 0 H LYS A 36 -1.932 0.178 4.848 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.483 2.536 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.190 0.904 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.481 -0.412 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.631 1.421 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.753 1.348 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.850 -1.324 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.378 -0.731 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.485 0.449 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.396 -0.856 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.694 -1.478 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.019 -2.451 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.075 -1.187 8.731 1.00 0.00 H new ATOM 548 N GLN A 37 1.117 -0.019 4.426 1.00 0.00 N ATOM 549 CA GLN A 37 2.282 -0.374 3.623 1.00 0.00 C ATOM 550 C GLN A 37 2.415 0.551 2.418 1.00 0.00 C ATOM 551 O GLN A 37 3.505 0.727 1.875 1.00 0.00 O ATOM 552 CB GLN A 37 2.182 -1.827 3.157 1.00 0.00 C ATOM 553 CG GLN A 37 3.476 -2.608 3.320 1.00 0.00 C ATOM 554 CD GLN A 37 3.240 -4.094 3.512 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.460 -4.892 2.601 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.790 -4.473 4.702 1.00 0.00 N ATOM 0 H GLN A 37 0.580 -0.816 4.766 1.00 0.00 H new ATOM 0 HA GLN A 37 3.170 -0.259 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.393 -2.327 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.887 -1.844 2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.102 -2.454 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.026 -2.218 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.621 -3.777 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.613 -5.460 4.890 1.00 0.00 H new ATOM 565 N TYR A 38 1.298 1.139 2.004 1.00 0.00 N ATOM 566 CA TYR A 38 1.288 2.045 0.861 1.00 0.00 C ATOM 567 C TYR A 38 1.686 3.456 1.281 1.00 0.00 C ATOM 568 O TYR A 38 2.751 3.950 0.911 1.00 0.00 O ATOM 569 CB TYR A 38 -0.095 2.065 0.211 1.00 0.00 C ATOM 570 CG TYR A 38 -0.584 3.455 -0.131 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.832 3.897 0.290 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.202 4.326 -0.876 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.283 5.165 -0.020 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.239 5.595 -1.189 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.482 6.011 -0.760 1.00 0.00 C ATOM 576 OH TYR A 38 -1.927 7.276 -1.072 1.00 0.00 O ATOM 0 H TYR A 38 0.387 1.004 2.443 1.00 0.00 H new ATOM 0 HA TYR A 38 2.017 1.682 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.069 1.464 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.810 1.593 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.461 3.237 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.175 4.004 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.256 5.493 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.386 6.259 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.332 7.270 -1.965 1.00 0.00 H new ATOM 586 N VAL A 39 0.821 4.101 2.058 1.00 0.00 N ATOM 587 CA VAL A 39 1.082 5.456 2.531 1.00 0.00 C ATOM 588 C VAL A 39 2.381 5.520 3.325 1.00 0.00 C ATOM 589 O VAL A 39 3.228 6.379 3.080 1.00 0.00 O ATOM 590 CB VAL A 39 -0.071 5.974 3.410 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.405 5.798 2.701 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.076 5.264 4.756 1.00 0.00 C ATOM 0 H VAL A 39 -0.066 3.708 2.373 1.00 0.00 H new ATOM 0 HA VAL A 39 1.169 6.089 1.648 1.00 0.00 H new ATOM 0 HB VAL A 39 0.081 7.039 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.207 6.170 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.396 6.357 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.569 4.741 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.897 5.643 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.203 4.192 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.869 5.448 5.268 1.00 0.00 H new ATOM 602 N GLU A 40 2.532 4.606 4.279 1.00 0.00 N ATOM 603 CA GLU A 40 3.729 4.560 5.111 1.00 0.00 C ATOM 604 C GLU A 40 4.987 4.723 4.262 1.00 0.00 C ATOM 605 O GLU A 40 6.001 5.241 4.729 1.00 0.00 O ATOM 606 CB GLU A 40 3.789 3.241 5.883 1.00 0.00 C ATOM 607 CG GLU A 40 4.338 3.386 7.293 1.00 0.00 C ATOM 608 CD GLU A 40 5.761 2.880 7.421 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.456 3.300 8.370 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.180 2.066 6.572 1.00 0.00 O ATOM 0 H GLU A 40 1.841 3.888 4.495 1.00 0.00 H new ATOM 0 HA GLU A 40 3.680 5.386 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.788 2.814 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.409 2.535 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.302 4.435 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.698 2.839 7.986 1.00 0.00 H new ATOM 617 N LEU A 41 4.913 4.277 3.013 1.00 0.00 N ATOM 618 CA LEU A 41 6.045 4.372 2.098 1.00 0.00 C ATOM 619 C LEU A 41 6.151 5.774 1.506 1.00 0.00 C ATOM 620 O LEU A 41 7.238 6.350 1.436 1.00 0.00 O ATOM 621 CB LEU A 41 5.907 3.341 0.976 1.00 0.00 C ATOM 622 CG LEU A 41 6.186 1.889 1.361 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.639 1.532 1.086 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.844 1.649 2.825 1.00 0.00 C ATOM 0 H LEU A 41 4.081 3.846 2.611 1.00 0.00 H new ATOM 0 HA LEU A 41 6.955 4.166 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.895 3.402 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.585 3.619 0.169 1.00 0.00 H new ATOM 0 HG LEU A 41 5.553 1.245 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.818 0.494 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.851 1.663 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.290 2.183 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.049 0.610 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.449 2.303 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.788 1.862 2.992 1.00 0.00 H new ATOM 636 N LEU A 42 5.015 6.319 1.084 1.00 0.00 N ATOM 637 CA LEU A 42 4.979 7.655 0.499 1.00 0.00 C ATOM 638 C LEU A 42 4.890 8.721 1.587 1.00 0.00 C ATOM 639 O LEU A 42 5.782 9.561 1.721 1.00 0.00 O ATOM 640 CB LEU A 42 3.791 7.784 -0.455 1.00 0.00 C ATOM 641 CG LEU A 42 3.980 7.178 -1.846 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.642 6.746 -2.426 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.669 8.170 -2.771 1.00 0.00 C ATOM 0 H LEU A 42 4.107 5.857 1.136 1.00 0.00 H new ATOM 0 HA LEU A 42 5.903 7.806 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.924 7.314 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.556 8.842 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 42 4.615 6.297 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.796 6.317 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.187 6.000 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.983 7.611 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.795 7.722 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.060 9.070 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.646 8.430 -2.363 1.00 0.00 H new ATOM 655 N ILE A 43 3.811 8.682 2.361 1.00 0.00 N ATOM 656 CA ILE A 43 3.608 9.643 3.438 1.00 0.00 C ATOM 657 C ILE A 43 4.918 9.953 4.152 1.00 0.00 C ATOM 658 O ILE A 43 5.084 11.026 4.731 1.00 0.00 O ATOM 659 CB ILE A 43 2.584 9.127 4.467 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.516 10.191 4.732 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.284 8.738 5.760 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.248 9.986 3.932 1.00 0.00 C ATOM 0 H ILE A 43 3.064 7.995 2.262 1.00 0.00 H new ATOM 0 HA ILE A 43 3.223 10.554 2.980 1.00 0.00 H new ATOM 0 HB ILE A 43 2.095 8.241 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.270 10.191 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.928 11.173 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.548 8.375 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.011 7.952 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.795 9.608 6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.464 10.776 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.481 10.016 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.187 9.018 4.181 1.00 0.00 H new ATOM 674 N LYS A 44 5.850 9.006 4.106 1.00 0.00 N ATOM 675 CA LYS A 44 7.148 9.177 4.746 1.00 0.00 C ATOM 676 C LYS A 44 8.033 10.123 3.938 1.00 0.00 C ATOM 677 O LYS A 44 8.637 11.042 4.489 1.00 0.00 O ATOM 678 CB LYS A 44 7.844 7.824 4.905 1.00 0.00 C ATOM 679 CG LYS A 44 8.128 7.451 6.350 1.00 0.00 C ATOM 680 CD LYS A 44 6.863 7.473 7.190 1.00 0.00 C ATOM 681 CE LYS A 44 6.299 6.074 7.385 1.00 0.00 C ATOM 682 NZ LYS A 44 6.138 5.737 8.827 1.00 0.00 N ATOM 0 H LYS A 44 5.729 8.111 3.631 1.00 0.00 H new ATOM 0 HA LYS A 44 6.984 9.613 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.222 7.050 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.783 7.841 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.575 6.458 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.857 8.145 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.078 7.919 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.116 8.104 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.334 5.999 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.960 5.347 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.186 4.705 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.899 6.186 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.217 6.084 9.164 1.00 0.00 H new ATOM 696 N GLU A 45 8.101 9.890 2.632 1.00 0.00 N ATOM 697 CA GLU A 45 8.910 10.723 1.750 1.00 0.00 C ATOM 698 C GLU A 45 8.309 12.119 1.615 1.00 0.00 C ATOM 699 O GLU A 45 8.860 13.096 2.121 1.00 0.00 O ATOM 700 CB GLU A 45 9.034 10.075 0.369 1.00 0.00 C ATOM 701 CG GLU A 45 10.462 9.725 -0.013 1.00 0.00 C ATOM 702 CD GLU A 45 10.851 8.319 0.402 1.00 0.00 C ATOM 703 OE1 GLU A 45 9.981 7.425 0.354 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.025 8.115 0.777 1.00 0.00 O ATOM 0 H GLU A 45 7.606 9.132 2.161 1.00 0.00 H new ATOM 0 HA GLU A 45 9.902 10.814 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.428 9.169 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.622 10.752 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.581 9.827 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.143 10.438 0.451 1.00 0.00 H new ATOM 711 N GLY A 46 7.172 12.204 0.929 1.00 0.00 N ATOM 712 CA GLY A 46 6.515 13.483 0.739 1.00 0.00 C ATOM 713 C GLY A 46 7.237 14.364 -0.261 1.00 0.00 C ATOM 714 O GLY A 46 7.768 15.416 0.097 1.00 0.00 O ATOM 0 H GLY A 46 6.695 11.410 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.493 13.316 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.452 14.001 1.696 1.00 0.00 H new ATOM 718 N LEU A 47 7.258 13.935 -1.517 1.00 0.00 N ATOM 719 CA LEU A 47 7.922 14.691 -2.573 1.00 0.00 C ATOM 720 C LEU A 47 6.902 15.368 -3.484 1.00 0.00 C ATOM 721 O LEU A 47 7.194 16.387 -4.108 1.00 0.00 O ATOM 722 CB LEU A 47 8.826 13.771 -3.396 1.00 0.00 C ATOM 723 CG LEU A 47 8.151 12.547 -4.017 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.981 12.007 -5.170 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.932 11.470 -2.964 1.00 0.00 C ATOM 0 H LEU A 47 6.823 13.067 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 47 8.531 15.464 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.276 14.358 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.639 13.427 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 47 7.179 12.850 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.485 11.136 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.087 12.777 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.967 11.719 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.451 10.606 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.892 11.171 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.296 11.861 -2.170 1.00 0.00 H new ATOM 737 N GLU A 48 5.705 14.794 -3.551 1.00 0.00 N ATOM 738 CA GLU A 48 4.641 15.344 -4.383 1.00 0.00 C ATOM 739 C GLU A 48 3.479 14.362 -4.498 1.00 0.00 C ATOM 740 O GLU A 48 2.322 14.763 -4.638 1.00 0.00 O ATOM 741 CB GLU A 48 5.177 15.681 -5.777 1.00 0.00 C ATOM 742 CG GLU A 48 6.110 14.625 -6.343 1.00 0.00 C ATOM 743 CD GLU A 48 6.628 14.982 -7.722 1.00 0.00 C ATOM 744 OE1 GLU A 48 5.815 15.408 -8.568 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.846 14.836 -7.955 1.00 0.00 O ATOM 0 H GLU A 48 5.448 13.950 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 48 4.279 16.256 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.336 15.813 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.705 16.634 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.954 14.491 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.585 13.671 -6.392 1.00 0.00 H new ATOM 752 N THR A 49 3.792 13.071 -4.438 1.00 0.00 N ATOM 753 CA THR A 49 2.776 12.032 -4.537 1.00 0.00 C ATOM 754 C THR A 49 1.498 12.442 -3.813 1.00 0.00 C ATOM 755 O THR A 49 0.405 12.000 -4.165 1.00 0.00 O ATOM 756 CB THR A 49 3.278 10.699 -3.952 1.00 0.00 C ATOM 757 OG1 THR A 49 4.563 10.378 -4.496 1.00 0.00 O ATOM 758 CG2 THR A 49 2.298 9.573 -4.253 1.00 0.00 C ATOM 0 H THR A 49 4.743 12.721 -4.321 1.00 0.00 H new ATOM 0 HA THR A 49 2.563 11.898 -5.598 1.00 0.00 H new ATOM 0 HB THR A 49 3.359 10.810 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.503 9.544 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.673 8.641 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.329 9.807 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.189 9.464 -5.332 1.00 0.00 H new ATOM 766 N ALA A 50 1.644 13.291 -2.801 1.00 0.00 N ATOM 767 CA ALA A 50 0.499 13.763 -2.031 1.00 0.00 C ATOM 768 C ALA A 50 -0.330 12.596 -1.508 1.00 0.00 C ATOM 769 O ALA A 50 -1.472 12.774 -1.084 1.00 0.00 O ATOM 770 CB ALA A 50 -0.362 14.688 -2.877 1.00 0.00 C ATOM 0 H ALA A 50 2.542 13.666 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 50 0.875 14.320 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.213 15.032 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.230 15.546 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.721 14.150 -3.754 1.00 0.00 H new ATOM 776 N ILE A 51 0.251 11.401 -1.542 1.00 0.00 N ATOM 777 CA ILE A 51 -0.435 10.204 -1.071 1.00 0.00 C ATOM 778 C ILE A 51 -1.929 10.273 -1.372 1.00 0.00 C ATOM 779 O ILE A 51 -2.723 10.693 -0.530 1.00 0.00 O ATOM 780 CB ILE A 51 -0.236 10.000 0.443 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.245 9.789 0.761 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.062 8.819 0.930 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.133 10.912 0.272 1.00 0.00 C ATOM 0 H ILE A 51 1.195 11.236 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 51 0.002 9.359 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.575 10.895 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.366 9.684 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.575 8.853 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.911 8.687 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.117 9.007 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.750 7.916 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.169 10.696 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.042 11.003 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.829 11.847 0.742 1.00 0.00 H new ATOM 795 N SER A 52 -2.303 9.856 -2.577 1.00 0.00 N ATOM 796 CA SER A 52 -3.702 9.872 -2.990 1.00 0.00 C ATOM 797 C SER A 52 -4.320 8.483 -2.869 1.00 0.00 C ATOM 798 O SER A 52 -3.612 7.476 -2.834 1.00 0.00 O ATOM 799 CB SER A 52 -3.825 10.374 -4.430 1.00 0.00 C ATOM 800 OG SER A 52 -4.781 11.414 -4.528 1.00 0.00 O ATOM 0 H SER A 52 -1.658 9.503 -3.284 1.00 0.00 H new ATOM 0 HA SER A 52 -4.242 10.550 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.856 10.733 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.112 9.549 -5.082 1.00 0.00 H new ATOM 0 HG SER A 52 -4.839 11.718 -5.458 1.00 0.00 H new ATOM 806 N CYS A 53 -5.646 8.436 -2.803 1.00 0.00 N ATOM 807 CA CYS A 53 -6.363 7.172 -2.685 1.00 0.00 C ATOM 808 C CYS A 53 -5.640 6.064 -3.445 1.00 0.00 C ATOM 809 O CYS A 53 -5.188 6.246 -4.576 1.00 0.00 O ATOM 810 CB CYS A 53 -7.792 7.319 -3.213 1.00 0.00 C ATOM 811 SG CYS A 53 -8.783 5.795 -3.109 1.00 0.00 S ATOM 0 H CYS A 53 -6.247 9.260 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.399 6.902 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.296 8.106 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.752 7.644 -4.253 1.00 0.00 H new ATOM 816 N PRO A 54 -5.528 4.886 -2.812 1.00 0.00 N ATOM 817 CA PRO A 54 -4.862 3.726 -3.410 1.00 0.00 C ATOM 818 C PRO A 54 -5.656 3.137 -4.571 1.00 0.00 C ATOM 819 O PRO A 54 -5.267 2.123 -5.151 1.00 0.00 O ATOM 820 CB PRO A 54 -4.785 2.726 -2.253 1.00 0.00 C ATOM 821 CG PRO A 54 -5.907 3.105 -1.350 1.00 0.00 C ATOM 822 CD PRO A 54 -6.044 4.598 -1.463 1.00 0.00 C ATOM 0 HA PRO A 54 -3.891 3.986 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.891 1.701 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.825 2.788 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.830 2.605 -1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.697 2.809 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.081 4.916 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.469 5.114 -0.694 1.00 0.00 H new ATOM 830 N ASP A 55 -6.770 3.778 -4.906 1.00 0.00 N ATOM 831 CA ASP A 55 -7.618 3.319 -5.999 1.00 0.00 C ATOM 832 C ASP A 55 -7.273 4.045 -7.297 1.00 0.00 C ATOM 833 O ASP A 55 -7.349 5.270 -7.372 1.00 0.00 O ATOM 834 CB ASP A 55 -9.092 3.535 -5.656 1.00 0.00 C ATOM 835 CG ASP A 55 -10.015 2.684 -6.506 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.708 3.251 -7.379 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.046 1.454 -6.300 1.00 0.00 O ATOM 0 H ASP A 55 -7.107 4.618 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.439 2.253 -6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.255 3.303 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.344 4.587 -5.793 1.00 0.00 H new ATOM 842 N ALA A 56 -6.894 3.279 -8.315 1.00 0.00 N ATOM 843 CA ALA A 56 -6.539 3.850 -9.609 1.00 0.00 C ATOM 844 C ALA A 56 -7.780 4.087 -10.463 1.00 0.00 C ATOM 845 O ALA A 56 -7.712 4.064 -11.692 1.00 0.00 O ATOM 846 CB ALA A 56 -5.561 2.938 -10.336 1.00 0.00 C ATOM 0 H ALA A 56 -6.825 2.262 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.060 4.814 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.304 3.375 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.657 2.823 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.020 1.962 -10.491 1.00 0.00 H new ATOM 852 N ALA A 57 -8.911 4.315 -9.804 1.00 0.00 N ATOM 853 CA ALA A 57 -10.166 4.558 -10.503 1.00 0.00 C ATOM 854 C ALA A 57 -11.204 5.176 -9.572 1.00 0.00 C ATOM 855 O ALA A 57 -12.406 4.968 -9.739 1.00 0.00 O ATOM 856 CB ALA A 57 -10.697 3.263 -11.102 1.00 0.00 C ATOM 0 H ALA A 57 -8.984 4.336 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.972 5.266 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.635 3.460 -11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.969 2.863 -11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.868 2.537 -10.307 1.00 0.00 H new ATOM 862 N CYS A 58 -10.731 5.934 -8.589 1.00 0.00 N ATOM 863 CA CYS A 58 -11.617 6.582 -7.629 1.00 0.00 C ATOM 864 C CYS A 58 -12.415 7.700 -8.292 1.00 0.00 C ATOM 865 O CYS A 58 -11.879 8.525 -9.034 1.00 0.00 O ATOM 866 CB CYS A 58 -10.810 7.144 -6.457 1.00 0.00 C ATOM 867 SG CYS A 58 -11.817 7.586 -5.004 1.00 0.00 S ATOM 0 H CYS A 58 -9.739 6.115 -8.436 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.316 5.833 -7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.063 6.408 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.269 8.028 -6.793 1.00 0.00 H new ATOM 872 N PRO A 59 -13.729 7.731 -8.023 1.00 0.00 N ATOM 873 CA PRO A 59 -14.629 8.743 -8.583 1.00 0.00 C ATOM 874 C PRO A 59 -14.376 10.129 -8.000 1.00 0.00 C ATOM 875 O PRO A 59 -14.801 11.138 -8.565 1.00 0.00 O ATOM 876 CB PRO A 59 -16.019 8.240 -8.186 1.00 0.00 C ATOM 877 CG PRO A 59 -15.788 7.411 -6.970 1.00 0.00 C ATOM 878 CD PRO A 59 -14.436 6.780 -7.149 1.00 0.00 C ATOM 0 HA PRO A 59 -14.494 8.859 -9.658 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.695 9.069 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.471 7.653 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.816 8.024 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.562 6.651 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.923 6.652 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.510 5.793 -7.606 1.00 0.00 H new ATOM 886 N LYS A 60 -13.684 10.173 -6.868 1.00 0.00 N ATOM 887 CA LYS A 60 -13.373 11.436 -6.208 1.00 0.00 C ATOM 888 C LYS A 60 -11.874 11.565 -5.960 1.00 0.00 C ATOM 889 O LYS A 60 -11.384 12.641 -5.616 1.00 0.00 O ATOM 890 CB LYS A 60 -14.131 11.542 -4.883 1.00 0.00 C ATOM 891 CG LYS A 60 -15.631 11.715 -5.052 1.00 0.00 C ATOM 892 CD LYS A 60 -16.259 12.368 -3.832 1.00 0.00 C ATOM 893 CE LYS A 60 -16.279 13.884 -3.960 1.00 0.00 C ATOM 894 NZ LYS A 60 -16.603 14.546 -2.667 1.00 0.00 N ATOM 0 H LYS A 60 -13.327 9.348 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.686 12.248 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.941 10.645 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.738 12.386 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.831 12.323 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.093 10.743 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.277 11.999 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.702 12.084 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.308 14.231 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.013 14.175 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.607 15.578 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.541 14.234 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.888 14.289 -1.957 1.00 0.00 H new ATOM 908 N GLN A 61 -11.152 10.465 -6.140 1.00 0.00 N ATOM 909 CA GLN A 61 -9.708 10.457 -5.936 1.00 0.00 C ATOM 910 C GLN A 61 -9.313 11.398 -4.801 1.00 0.00 C ATOM 911 O GLN A 61 -8.712 12.446 -5.032 1.00 0.00 O ATOM 912 CB GLN A 61 -8.987 10.862 -7.223 1.00 0.00 C ATOM 913 CG GLN A 61 -9.366 10.010 -8.425 1.00 0.00 C ATOM 914 CD GLN A 61 -8.559 10.356 -9.662 1.00 0.00 C ATOM 915 OE1 GLN A 61 -8.756 11.407 -10.270 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.646 9.469 -10.040 1.00 0.00 N ATOM 0 H GLN A 61 -11.543 9.567 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.411 9.444 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.211 11.906 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.911 10.794 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.218 8.958 -8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.427 10.141 -8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.517 8.610 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.074 9.646 -10.865 1.00 0.00 H new ATOM 925 N GLY A 62 -9.656 11.015 -3.575 1.00 0.00 N ATOM 926 CA GLY A 62 -9.330 11.835 -2.424 1.00 0.00 C ATOM 927 C GLY A 62 -7.880 11.699 -2.006 1.00 0.00 C ATOM 928 O GLY A 62 -7.290 10.624 -2.125 1.00 0.00 O ATOM 0 H GLY A 62 -10.154 10.151 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.542 12.879 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.973 11.556 -1.589 1.00 0.00 H new ATOM 932 N HIS A 63 -7.301 12.791 -1.517 1.00 0.00 N ATOM 933 CA HIS A 63 -5.908 12.788 -1.082 1.00 0.00 C ATOM 934 C HIS A 63 -5.807 12.481 0.409 1.00 0.00 C ATOM 935 O HIS A 63 -6.786 12.599 1.147 1.00 0.00 O ATOM 936 CB HIS A 63 -5.256 14.138 -1.383 1.00 0.00 C ATOM 937 CG HIS A 63 -4.930 14.336 -2.831 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.719 15.077 -3.685 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.892 13.888 -3.574 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.183 15.074 -4.892 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.072 14.359 -4.851 1.00 0.00 N ATOM 0 H HIS A 63 -7.774 13.689 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.381 12.008 -1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.924 14.935 -1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.341 14.229 -0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.074 13.274 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.584 15.571 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.449 14.185 -5.640 1.00 0.00 H new ATOM 949 N LEU A 64 -4.615 12.087 0.846 1.00 0.00 N ATOM 950 CA LEU A 64 -4.385 11.762 2.250 1.00 0.00 C ATOM 951 C LEU A 64 -3.482 12.800 2.908 1.00 0.00 C ATOM 952 O LEU A 64 -2.737 13.506 2.230 1.00 0.00 O ATOM 953 CB LEU A 64 -3.759 10.372 2.375 1.00 0.00 C ATOM 954 CG LEU A 64 -4.717 9.189 2.228 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.961 7.942 1.796 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.460 8.939 3.532 1.00 0.00 C ATOM 0 H LEU A 64 -3.794 11.985 0.249 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.347 11.768 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.978 10.278 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.272 10.301 3.348 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.449 9.432 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.658 7.110 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.475 8.125 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.207 7.696 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.137 8.094 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.743 8.717 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.033 9.827 3.800 1.00 0.00 H new ATOM 968 N GLN A 65 -3.554 12.885 4.233 1.00 0.00 N ATOM 969 CA GLN A 65 -2.742 13.836 4.982 1.00 0.00 C ATOM 970 C GLN A 65 -1.379 13.241 5.320 1.00 0.00 C ATOM 971 O GLN A 65 -1.213 12.021 5.340 1.00 0.00 O ATOM 972 CB GLN A 65 -3.462 14.254 6.265 1.00 0.00 C ATOM 973 CG GLN A 65 -4.922 13.834 6.308 1.00 0.00 C ATOM 974 CD GLN A 65 -5.104 12.400 6.764 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.172 12.019 7.245 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.059 11.594 6.614 1.00 0.00 N ATOM 0 H GLN A 65 -4.166 12.307 4.809 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.589 14.716 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.943 13.822 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.401 15.337 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.467 14.497 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.360 13.954 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.193 11.951 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.123 10.618 6.902 1.00 0.00 H new ATOM 985 N GLU A 66 -0.408 14.109 5.584 1.00 0.00 N ATOM 986 CA GLU A 66 0.940 13.667 5.920 1.00 0.00 C ATOM 987 C GLU A 66 1.103 13.515 7.430 1.00 0.00 C ATOM 988 O GLU A 66 1.961 12.770 7.901 1.00 0.00 O ATOM 989 CB GLU A 66 1.975 14.658 5.383 1.00 0.00 C ATOM 990 CG GLU A 66 2.500 14.301 4.003 1.00 0.00 C ATOM 991 CD GLU A 66 2.921 15.520 3.204 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.304 15.779 2.149 1.00 0.00 O ATOM 993 OE2 GLU A 66 3.864 16.214 3.634 1.00 0.00 O ATOM 0 H GLU A 66 -0.529 15.122 5.572 1.00 0.00 H new ATOM 0 HA GLU A 66 1.102 12.695 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.529 15.652 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.812 14.709 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.351 13.627 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.729 13.760 3.454 1.00 0.00 H new ATOM 1000 N ASN A 67 0.271 14.227 8.183 1.00 0.00 N ATOM 1001 CA ASN A 67 0.323 14.173 9.640 1.00 0.00 C ATOM 1002 C ASN A 67 -0.600 13.082 10.177 1.00 0.00 C ATOM 1003 O ASN A 67 -0.179 12.228 10.955 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.069 15.526 10.236 1.00 0.00 C ATOM 1005 CG ASN A 67 -1.452 15.506 10.858 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -1.630 15.046 11.987 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -2.438 16.005 10.123 1.00 0.00 N ATOM 0 H ASN A 67 -0.447 14.848 7.809 1.00 0.00 H new ATOM 0 HA ASN A 67 1.346 13.937 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.662 15.812 10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.036 16.287 9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.390 16.018 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.244 16.375 9.193 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.859 13.120 9.753 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.841 12.135 10.192 1.00 0.00 C ATOM 1016 C GLU A 68 -2.346 10.716 9.924 1.00 0.00 C ATOM 1017 O GLU A 68 -2.223 9.906 10.843 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.177 12.363 9.483 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.296 12.797 10.417 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.182 11.642 10.841 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.383 11.876 11.090 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.674 10.504 10.926 1.00 0.00 O ATOM 0 H GLU A 68 -2.223 13.821 9.107 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.983 12.255 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.044 13.121 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.473 11.443 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.865 13.263 11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.904 13.554 9.922 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.065 10.425 8.658 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.583 9.105 8.268 1.00 0.00 C ATOM 1031 C ILE A 69 -0.397 8.677 9.124 1.00 0.00 C ATOM 1032 O ILE A 69 -0.459 7.673 9.833 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.169 9.073 6.785 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.408 9.111 5.887 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.336 7.834 6.494 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.364 8.108 4.754 1.00 0.00 C ATOM 0 H ILE A 69 -2.163 11.084 7.886 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.408 8.410 8.422 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.562 9.953 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.293 8.922 6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.515 10.113 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.051 7.826 5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.561 7.845 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.920 6.942 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.274 8.191 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.498 8.309 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.289 7.100 5.163 1.00 0.00 H new ATOM 1048 N GLU A 70 0.685 9.449 9.055 1.00 0.00 N ATOM 1049 CA GLU A 70 1.886 9.150 9.825 1.00 0.00 C ATOM 1050 C GLU A 70 1.559 9.011 11.310 1.00 0.00 C ATOM 1051 O GLU A 70 2.319 8.408 12.068 1.00 0.00 O ATOM 1052 CB GLU A 70 2.935 10.245 9.623 1.00 0.00 C ATOM 1053 CG GLU A 70 2.676 11.495 10.447 1.00 0.00 C ATOM 1054 CD GLU A 70 3.851 12.454 10.437 1.00 0.00 C ATOM 1055 OE1 GLU A 70 3.687 13.597 10.914 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.933 12.062 9.954 1.00 0.00 O ATOM 0 H GLU A 70 0.753 10.285 8.474 1.00 0.00 H new ATOM 0 HA GLU A 70 2.289 8.202 9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.917 9.848 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.967 10.516 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.793 12.004 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.454 11.209 11.475 1.00 0.00 H new ATOM 1063 N CYS A 71 0.427 9.574 11.716 1.00 0.00 N ATOM 1064 CA CYS A 71 0.000 9.514 13.109 1.00 0.00 C ATOM 1065 C CYS A 71 -0.532 8.128 13.456 1.00 0.00 C ATOM 1066 O CYS A 71 -0.506 7.715 14.615 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.074 10.569 13.380 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.618 9.897 14.040 1.00 0.00 S ATOM 0 H CYS A 71 -0.212 10.077 11.100 1.00 0.00 H new ATOM 0 HA CYS A 71 0.866 9.718 13.738 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.679 11.302 14.084 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.288 11.100 12.453 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.463 10.865 14.238 1.00 0.00 H new ATOM 1074 N MET A 72 -1.015 7.415 12.445 1.00 0.00 N ATOM 1075 CA MET A 72 -1.553 6.075 12.644 1.00 0.00 C ATOM 1076 C MET A 72 -0.475 5.017 12.427 1.00 0.00 C ATOM 1077 O MET A 72 -0.732 3.820 12.549 1.00 0.00 O ATOM 1078 CB MET A 72 -2.726 5.826 11.692 1.00 0.00 C ATOM 1079 CG MET A 72 -2.306 5.262 10.344 1.00 0.00 C ATOM 1080 SD MET A 72 -3.302 5.899 8.983 1.00 0.00 S ATOM 1081 CE MET A 72 -2.879 4.741 7.683 1.00 0.00 C ATOM 0 H MET A 72 -1.045 7.743 11.480 1.00 0.00 H new ATOM 0 HA MET A 72 -1.906 6.003 13.673 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.426 5.136 12.163 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.260 6.763 11.534 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.258 5.502 10.165 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.385 4.175 10.369 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.771 5.276 6.740 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.940 4.245 7.929 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.669 3.996 7.589 1.00 0.00 H new ATOM 1091 N VAL A 73 0.733 5.468 12.106 1.00 0.00 N ATOM 1092 CA VAL A 73 1.851 4.561 11.873 1.00 0.00 C ATOM 1093 C VAL A 73 3.096 5.020 12.624 1.00 0.00 C ATOM 1094 O VAL A 73 3.649 4.281 13.439 1.00 0.00 O ATOM 1095 CB VAL A 73 2.181 4.450 10.373 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.192 3.530 9.676 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.188 5.827 9.726 1.00 0.00 C ATOM 0 H VAL A 73 0.963 6.456 12.001 1.00 0.00 H new ATOM 0 HA VAL A 73 1.547 3.582 12.243 1.00 0.00 H new ATOM 0 HB VAL A 73 3.177 4.020 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.441 3.464 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.241 2.537 10.123 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.184 3.928 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.423 5.730 8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.206 6.287 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.940 6.452 10.208 1.00 0.00 H new ATOM 1107 N ALA A 74 3.531 6.244 12.345 1.00 0.00 N ATOM 1108 CA ALA A 74 4.710 6.803 12.995 1.00 0.00 C ATOM 1109 C ALA A 74 4.323 7.630 14.217 1.00 0.00 C ATOM 1110 O ALA A 74 5.022 8.571 14.589 1.00 0.00 O ATOM 1111 CB ALA A 74 5.504 7.650 12.013 1.00 0.00 C ATOM 0 H ALA A 74 3.084 6.868 11.673 1.00 0.00 H new ATOM 0 HA ALA A 74 5.335 5.975 13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.381 8.061 12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.821 7.032 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.880 8.465 11.648 1.00 0.00 H new ATOM 1117 N ALA A 75 3.203 7.273 14.836 1.00 0.00 N ATOM 1118 CA ALA A 75 2.723 7.981 16.017 1.00 0.00 C ATOM 1119 C ALA A 75 3.865 8.264 16.988 1.00 0.00 C ATOM 1120 O ALA A 75 4.111 9.427 17.304 1.00 0.00 O ATOM 1121 CB ALA A 75 1.628 7.180 16.704 1.00 0.00 C ATOM 0 H ALA A 75 2.611 6.497 14.539 1.00 0.00 H new ATOM 0 HA ALA A 75 2.309 8.937 15.695 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.279 7.721 17.584 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.797 7.034 16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.022 6.210 17.007 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.487 -4.613 2.141 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -10.961 6.620 -3.063 1.00 0.00 ZN