USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot 179:sc= 0.696 USER MOD Set 1.2: A 94 SER OG : rot 74:sc= 0.788 USER MOD Set 2.1: A 41 TYR OH : rot -16:sc= 1.06 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.3 K(o=2.4,f=-4.7!) USER MOD Set 3.1: A 34 SER OG : rot -101:sc= 0.565 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 86 GLN : amide:sc= 1.29 K(o=1.9,f=-0.067) USER MOD Single : A 7 THR OG1 : rot -45:sc= 0.00482 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.169 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0115) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.051) USER MOD Single : A 43 SER OG : rot 120:sc= -0.0912 USER MOD Single : A 45 SER OG : rot 90:sc= 1.29 USER MOD Single : A 46 SER OG : rot 180:sc= 0.153 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.985 K(o=0.99,f=-0.22) USER MOD Single : A 60 SER OG : rot -36:sc= 0.059 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0883 USER MOD Single : A 68 SER OG : rot -52:sc= 1.3 USER MOD Single : A 74 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.09) USER MOD Single : A 76 SER OG : rot 2:sc= 0.597 USER MOD Single : A 77 SER OG : rot 180:sc= 0.162 USER MOD Single : A 81 ASN : amide:sc= 0.968 K(o=0.97,f=-0.12) USER MOD Single : A 84 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0016) USER MOD Single : A 85 SER OG : rot -75:sc= 1.26 USER MOD Single : A 87 MET CE :methyl 178:sc= 0 (180deg=-0.00462) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 82:sc= 2.02 USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.331 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -12.242 -6.466 -2.907 1.00 0.00 N ATOM 27 CA PRO A 3 -10.829 -6.198 -3.096 1.00 0.00 C ATOM 28 C PRO A 3 -10.455 -6.092 -4.580 1.00 0.00 C ATOM 29 O PRO A 3 -11.214 -6.520 -5.458 1.00 0.00 O ATOM 30 CB PRO A 3 -10.104 -7.357 -2.407 1.00 0.00 C ATOM 31 CG PRO A 3 -11.092 -8.516 -2.528 1.00 0.00 C ATOM 32 CD PRO A 3 -12.445 -7.818 -2.401 1.00 0.00 C ATOM 0 HA PRO A 3 -10.546 -5.236 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.156 -7.585 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.879 -7.128 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.992 -9.035 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.944 -9.258 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.210 -8.340 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.781 -7.801 -1.364 1.00 0.00 H new ATOM 40 N ILE A 4 -9.255 -5.581 -4.858 1.00 0.00 N ATOM 41 CA ILE A 4 -8.671 -5.478 -6.187 1.00 0.00 C ATOM 42 C ILE A 4 -7.539 -6.496 -6.263 1.00 0.00 C ATOM 43 O ILE A 4 -6.672 -6.546 -5.387 1.00 0.00 O ATOM 44 CB ILE A 4 -8.148 -4.053 -6.490 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.215 -2.957 -6.272 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.652 -3.952 -7.944 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.029 -2.256 -4.929 1.00 0.00 C ATOM 0 H ILE A 4 -8.642 -5.214 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.435 -5.683 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.332 -3.885 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.156 -2.225 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.209 -3.401 -6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.289 -2.942 -8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.843 -4.665 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.473 -4.177 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.796 -1.491 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.114 -2.985 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.044 -1.790 -4.895 1.00 0.00 H new ATOM 59 N ALA A 5 -7.556 -7.323 -7.302 1.00 0.00 N ATOM 60 CA ALA A 5 -6.478 -8.249 -7.578 1.00 0.00 C ATOM 61 C ALA A 5 -5.436 -7.453 -8.353 1.00 0.00 C ATOM 62 O ALA A 5 -5.683 -7.073 -9.499 1.00 0.00 O ATOM 63 CB ALA A 5 -7.005 -9.442 -8.378 1.00 0.00 C ATOM 0 H ALA A 5 -8.322 -7.366 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.040 -8.662 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.187 -10.134 -8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.778 -9.953 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.426 -9.091 -9.320 1.00 0.00 H new ATOM 69 N ILE A 6 -4.292 -7.170 -7.733 1.00 0.00 N ATOM 70 CA ILE A 6 -3.168 -6.524 -8.405 1.00 0.00 C ATOM 71 C ILE A 6 -2.180 -7.616 -8.804 1.00 0.00 C ATOM 72 O ILE A 6 -2.391 -8.783 -8.478 1.00 0.00 O ATOM 73 CB ILE A 6 -2.617 -5.339 -7.578 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.386 -5.543 -6.065 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.617 -4.190 -7.724 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.138 -6.358 -5.750 1.00 0.00 C ATOM 0 H ILE A 6 -4.119 -7.382 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.463 -6.030 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.620 -5.168 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.307 -4.569 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.255 -6.042 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.267 -3.329 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.707 -3.917 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.590 -4.504 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.035 -6.464 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.224 -7.345 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.261 -5.849 -6.150 1.00 0.00 H new ATOM 88 N THR A 7 -1.120 -7.285 -9.539 1.00 0.00 N ATOM 89 CA THR A 7 -0.216 -8.304 -10.075 1.00 0.00 C ATOM 90 C THR A 7 1.101 -8.372 -9.292 1.00 0.00 C ATOM 91 O THR A 7 2.091 -8.859 -9.827 1.00 0.00 O ATOM 92 CB THR A 7 -0.112 -8.078 -11.601 1.00 0.00 C ATOM 93 OG1 THR A 7 0.316 -9.239 -12.286 1.00 0.00 O ATOM 94 CG2 THR A 7 0.781 -6.908 -12.017 1.00 0.00 C ATOM 0 H THR A 7 -0.866 -6.326 -9.777 1.00 0.00 H new ATOM 0 HA THR A 7 -0.606 -9.312 -9.936 1.00 0.00 H new ATOM 0 HB THR A 7 -1.133 -7.826 -11.888 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.074 -9.638 -11.811 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.792 -6.827 -13.104 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.393 -5.984 -11.589 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.795 -7.078 -11.655 1.00 0.00 H new ATOM 102 N CYS A 8 1.151 -7.880 -8.045 1.00 0.00 N ATOM 103 CA CYS A 8 2.393 -7.782 -7.271 1.00 0.00 C ATOM 104 C CYS A 8 3.501 -7.036 -8.043 1.00 0.00 C ATOM 105 O CYS A 8 4.673 -7.381 -7.960 1.00 0.00 O ATOM 106 CB CYS A 8 2.846 -9.160 -6.750 1.00 0.00 C ATOM 107 SG CYS A 8 2.072 -9.844 -5.255 1.00 0.00 S ATOM 0 H CYS A 8 0.329 -7.539 -7.546 1.00 0.00 H new ATOM 0 HA CYS A 8 2.182 -7.174 -6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.697 -9.880 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.919 -9.104 -6.567 1.00 0.00 H new ATOM 112 N PHE A 9 3.143 -6.140 -8.960 1.00 0.00 N ATOM 113 CA PHE A 9 4.109 -5.275 -9.637 1.00 0.00 C ATOM 114 C PHE A 9 3.649 -3.820 -9.489 1.00 0.00 C ATOM 115 O PHE A 9 4.438 -2.892 -9.329 1.00 0.00 O ATOM 116 CB PHE A 9 4.340 -5.757 -11.070 1.00 0.00 C ATOM 117 CG PHE A 9 5.644 -5.287 -11.681 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.872 -5.617 -11.069 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.644 -4.626 -12.920 1.00 0.00 C ATOM 120 CE1 PHE A 9 8.086 -5.282 -11.692 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.860 -4.333 -13.559 1.00 0.00 C ATOM 122 CZ PHE A 9 8.082 -4.659 -12.949 1.00 0.00 C ATOM 0 H PHE A 9 2.178 -5.993 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 9 5.096 -5.327 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.318 -6.847 -11.083 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.515 -5.414 -11.694 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.879 -6.129 -10.118 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.709 -4.343 -13.381 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.023 -5.504 -11.203 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.855 -3.853 -14.527 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.014 -4.431 -13.445 1.00 0.00 H new ATOM 132 N THR A 10 2.328 -3.660 -9.521 1.00 0.00 N ATOM 133 CA THR A 10 1.495 -2.487 -9.395 1.00 0.00 C ATOM 134 C THR A 10 1.945 -1.489 -8.319 1.00 0.00 C ATOM 135 O THR A 10 2.205 -1.857 -7.169 1.00 0.00 O ATOM 136 CB THR A 10 0.094 -3.043 -9.072 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.243 -4.123 -9.939 1.00 0.00 O ATOM 138 CG2 THR A 10 -0.986 -1.977 -9.147 1.00 0.00 C ATOM 0 H THR A 10 1.740 -4.482 -9.657 1.00 0.00 H new ATOM 0 HA THR A 10 1.538 -1.903 -10.314 1.00 0.00 H new ATOM 0 HB THR A 10 0.140 -3.404 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.215 -4.249 -9.942 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.953 -2.421 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.766 -1.185 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.015 -1.559 -10.153 1.00 0.00 H new ATOM 146 N ARG A 11 2.022 -0.212 -8.698 1.00 0.00 N ATOM 147 CA ARG A 11 2.290 0.920 -7.821 1.00 0.00 C ATOM 148 C ARG A 11 0.955 1.439 -7.291 1.00 0.00 C ATOM 149 O ARG A 11 -0.103 1.168 -7.864 1.00 0.00 O ATOM 150 CB ARG A 11 3.009 2.022 -8.615 1.00 0.00 C ATOM 151 CG ARG A 11 4.419 1.598 -9.065 1.00 0.00 C ATOM 152 CD ARG A 11 4.992 2.558 -10.115 1.00 0.00 C ATOM 153 NE ARG A 11 4.188 2.495 -11.344 1.00 0.00 N ATOM 154 CZ ARG A 11 4.305 3.249 -12.436 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.257 4.166 -12.534 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.439 3.106 -13.427 1.00 0.00 N ATOM 0 H ARG A 11 1.893 0.070 -9.670 1.00 0.00 H new ATOM 0 HA ARG A 11 2.926 0.618 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.414 2.282 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.081 2.920 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.082 1.566 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.382 0.589 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.997 3.576 -9.725 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.027 2.296 -10.334 1.00 0.00 H new ATOM 0 HE ARG A 11 3.452 1.789 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.914 4.303 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.332 4.735 -13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.687 2.421 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.524 3.681 -14.265 1.00 0.00 H new ATOM 170 N GLY A 12 0.998 2.256 -6.245 1.00 0.00 N ATOM 171 CA GLY A 12 -0.174 2.889 -5.655 1.00 0.00 C ATOM 172 C GLY A 12 -0.882 3.875 -6.591 1.00 0.00 C ATOM 173 O GLY A 12 -1.967 4.339 -6.246 1.00 0.00 O ATOM 0 H GLY A 12 1.868 2.502 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.881 2.115 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.126 3.415 -4.749 1.00 0.00 H new ATOM 177 N LEU A 13 -0.340 4.157 -7.781 1.00 0.00 N ATOM 178 CA LEU A 13 -0.965 5.029 -8.775 1.00 0.00 C ATOM 179 C LEU A 13 -2.213 4.341 -9.320 1.00 0.00 C ATOM 180 O LEU A 13 -3.198 5.004 -9.651 1.00 0.00 O ATOM 181 CB LEU A 13 -0.007 5.269 -9.960 1.00 0.00 C ATOM 182 CG LEU A 13 1.318 5.965 -9.602 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.321 5.794 -10.746 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.148 7.458 -9.310 1.00 0.00 C ATOM 0 H LEU A 13 0.558 3.779 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.210 5.979 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.219 4.309 -10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.524 5.870 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 13 1.684 5.490 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.257 6.289 -10.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.506 4.733 -10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.915 6.238 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.117 7.893 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.739 7.956 -10.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.467 7.589 -8.469 1.00 0.00 H new ATOM 196 N ASP A 14 -2.193 3.011 -9.386 1.00 0.00 N ATOM 197 CA ASP A 14 -3.266 2.217 -9.964 1.00 0.00 C ATOM 198 C ASP A 14 -4.454 2.165 -9.013 1.00 0.00 C ATOM 199 O ASP A 14 -5.578 1.947 -9.467 1.00 0.00 O ATOM 200 CB ASP A 14 -2.774 0.793 -10.280 1.00 0.00 C ATOM 201 CG ASP A 14 -1.791 0.715 -11.456 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.041 1.685 -11.702 1.00 0.00 O ATOM 203 OD2 ASP A 14 -1.745 -0.317 -12.165 1.00 0.00 O ATOM 0 H ASP A 14 -1.418 2.450 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.582 2.688 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.295 0.381 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.636 0.163 -10.499 1.00 0.00 H new ATOM 208 N ILE A 15 -4.237 2.335 -7.705 1.00 0.00 N ATOM 209 CA ILE A 15 -5.279 2.256 -6.690 1.00 0.00 C ATOM 210 C ILE A 15 -5.225 3.542 -5.866 1.00 0.00 C ATOM 211 O ILE A 15 -4.561 3.607 -4.832 1.00 0.00 O ATOM 212 CB ILE A 15 -5.084 0.939 -5.899 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.317 -0.253 -6.859 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.012 0.794 -4.681 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.188 -1.625 -6.209 1.00 0.00 C ATOM 0 H ILE A 15 -3.314 2.535 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.289 2.204 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.067 0.955 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.313 -0.163 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.604 -0.186 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.812 -0.154 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.832 1.614 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.051 0.819 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.367 -2.399 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.184 -1.741 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.920 -1.718 -5.407 1.00 0.00 H new ATOM 227 N ARG A 16 -6.019 4.543 -6.246 1.00 0.00 N ATOM 228 CA ARG A 16 -6.154 5.804 -5.515 1.00 0.00 C ATOM 229 C ARG A 16 -7.576 5.932 -4.977 1.00 0.00 C ATOM 230 O ARG A 16 -8.159 7.015 -5.020 1.00 0.00 O ATOM 231 CB ARG A 16 -5.754 7.003 -6.389 1.00 0.00 C ATOM 232 CG ARG A 16 -4.301 6.989 -6.893 1.00 0.00 C ATOM 233 CD ARG A 16 -3.848 8.380 -7.375 1.00 0.00 C ATOM 234 NE ARG A 16 -4.764 8.930 -8.387 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.818 9.724 -8.152 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.943 10.410 -7.018 1.00 0.00 N ATOM 237 NH2 ARG A 16 -6.790 9.787 -9.045 1.00 0.00 N ATOM 0 H ARG A 16 -6.597 4.500 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.468 5.801 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.420 7.043 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.915 7.918 -5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.642 6.649 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.207 6.273 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.794 9.060 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.843 8.311 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.579 8.684 -9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.224 10.340 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.757 11.006 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.733 9.235 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.598 10.387 -8.878 1.00 0.00 H new ATOM 251 N LYS A 17 -8.156 4.832 -4.493 1.00 0.00 N ATOM 252 CA LYS A 17 -9.458 4.884 -3.839 1.00 0.00 C ATOM 253 C LYS A 17 -9.266 5.515 -2.457 1.00 0.00 C ATOM 254 O LYS A 17 -8.133 5.645 -1.980 1.00 0.00 O ATOM 255 CB LYS A 17 -10.051 3.466 -3.730 1.00 0.00 C ATOM 256 CG LYS A 17 -10.425 2.841 -5.091 1.00 0.00 C ATOM 257 CD LYS A 17 -9.468 1.714 -5.504 1.00 0.00 C ATOM 258 CE LYS A 17 -9.820 1.030 -6.835 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.158 0.403 -6.837 1.00 0.00 N ATOM 0 H LYS A 17 -7.744 3.900 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.158 5.485 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.331 2.819 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.940 3.501 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.441 2.450 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.420 3.617 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.459 2.120 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.454 0.961 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.771 1.766 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.070 0.270 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.319 -0.069 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.214 -0.298 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.884 1.133 -6.692 1.00 0.00 H new ATOM 273 N GLU A 18 -10.362 5.855 -1.780 1.00 0.00 N ATOM 274 CA GLU A 18 -10.334 6.347 -0.403 1.00 0.00 C ATOM 275 C GLU A 18 -9.657 5.320 0.499 1.00 0.00 C ATOM 276 O GLU A 18 -8.837 5.674 1.345 1.00 0.00 O ATOM 277 CB GLU A 18 -11.761 6.680 0.050 1.00 0.00 C ATOM 278 CG GLU A 18 -11.848 7.155 1.516 1.00 0.00 C ATOM 279 CD GLU A 18 -12.539 6.178 2.480 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.481 5.461 2.071 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.227 6.201 3.692 1.00 0.00 O ATOM 0 H GLU A 18 -11.301 5.796 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.749 7.264 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.168 7.455 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.388 5.798 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.838 7.346 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.382 8.105 1.542 1.00 0.00 H new ATOM 288 N LYS A 19 -9.955 4.047 0.279 1.00 0.00 N ATOM 289 CA LYS A 19 -9.347 2.898 0.918 1.00 0.00 C ATOM 290 C LYS A 19 -9.612 1.727 -0.017 1.00 0.00 C ATOM 291 O LYS A 19 -10.598 1.752 -0.765 1.00 0.00 O ATOM 292 CB LYS A 19 -9.929 2.701 2.329 1.00 0.00 C ATOM 293 CG LYS A 19 -11.458 2.582 2.333 1.00 0.00 C ATOM 294 CD LYS A 19 -12.028 2.573 3.753 1.00 0.00 C ATOM 295 CE LYS A 19 -13.557 2.513 3.692 1.00 0.00 C ATOM 296 NZ LYS A 19 -14.049 1.163 3.341 1.00 0.00 N ATOM 0 H LYS A 19 -10.673 3.777 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.274 3.013 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.499 1.803 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.633 3.540 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.888 3.414 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.752 1.667 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.642 1.716 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.710 3.467 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.969 2.809 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.918 3.232 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.089 1.169 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.678 0.890 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.727 0.480 4.056 1.00 0.00 H new ATOM 310 N ALA A 20 -8.738 0.734 -0.014 1.00 0.00 N ATOM 311 CA ALA A 20 -8.795 -0.384 -0.930 1.00 0.00 C ATOM 312 C ALA A 20 -8.312 -1.627 -0.213 1.00 0.00 C ATOM 313 O ALA A 20 -7.406 -1.566 0.615 1.00 0.00 O ATOM 314 CB ALA A 20 -7.900 -0.099 -2.135 1.00 0.00 C ATOM 0 H ALA A 20 -7.956 0.685 0.639 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.818 -0.534 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.942 -0.941 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.246 0.803 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.873 0.044 -1.800 1.00 0.00 H new ATOM 320 N ASP A 21 -8.899 -2.758 -0.562 1.00 0.00 N ATOM 321 CA ASP A 21 -8.486 -4.065 -0.081 1.00 0.00 C ATOM 322 C ASP A 21 -7.795 -4.666 -1.291 1.00 0.00 C ATOM 323 O ASP A 21 -8.370 -4.617 -2.377 1.00 0.00 O ATOM 324 CB ASP A 21 -9.706 -4.886 0.358 1.00 0.00 C ATOM 325 CG ASP A 21 -10.553 -4.177 1.405 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.009 -3.515 2.309 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.801 -4.187 1.313 1.00 0.00 O ATOM 0 H ASP A 21 -9.693 -2.794 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.838 -4.032 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.323 -5.105 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.369 -5.842 0.758 1.00 0.00 H new ATOM 332 N VAL A 22 -6.558 -5.140 -1.182 1.00 0.00 N ATOM 333 CA VAL A 22 -5.838 -5.636 -2.354 1.00 0.00 C ATOM 334 C VAL A 22 -5.274 -7.029 -2.095 1.00 0.00 C ATOM 335 O VAL A 22 -4.846 -7.339 -0.984 1.00 0.00 O ATOM 336 CB VAL A 22 -4.784 -4.610 -2.836 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.397 -3.215 -3.047 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.593 -4.451 -1.882 1.00 0.00 C ATOM 0 H VAL A 22 -6.037 -5.192 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.538 -5.747 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.425 -5.022 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.624 -2.525 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.185 -3.274 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.818 -2.856 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.898 -3.716 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.949 -4.115 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.085 -5.409 -1.772 1.00 0.00 H new ATOM 348 N LEU A 23 -5.274 -7.872 -3.126 1.00 0.00 N ATOM 349 CA LEU A 23 -4.650 -9.188 -3.087 1.00 0.00 C ATOM 350 C LEU A 23 -3.357 -9.035 -3.862 1.00 0.00 C ATOM 351 O LEU A 23 -3.386 -8.519 -4.983 1.00 0.00 O ATOM 352 CB LEU A 23 -5.500 -10.287 -3.763 1.00 0.00 C ATOM 353 CG LEU A 23 -6.661 -10.896 -2.957 1.00 0.00 C ATOM 354 CD1 LEU A 23 -6.231 -11.365 -1.566 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.841 -9.936 -2.819 1.00 0.00 C ATOM 0 H LEU A 23 -5.713 -7.656 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.517 -9.499 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.913 -9.873 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.831 -11.098 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.979 -11.765 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.089 -11.786 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.456 -12.126 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.841 -10.518 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.633 -10.414 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.515 -9.030 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.218 -9.678 -3.809 1.00 0.00 H new ATOM 367 N CYS A 24 -2.246 -9.488 -3.283 1.00 0.00 N ATOM 368 CA CYS A 24 -0.953 -9.539 -3.940 1.00 0.00 C ATOM 369 C CYS A 24 -0.643 -11.014 -4.236 1.00 0.00 C ATOM 370 O CYS A 24 0.001 -11.662 -3.406 1.00 0.00 O ATOM 371 CB CYS A 24 0.124 -8.848 -3.084 1.00 0.00 C ATOM 372 SG CYS A 24 1.621 -8.316 -3.976 1.00 0.00 S ATOM 0 H CYS A 24 -2.226 -9.836 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.965 -8.990 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.322 -7.975 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.421 -9.530 -2.287 1.00 0.00 H new ATOM 377 N PRO A 25 -1.134 -11.568 -5.361 1.00 0.00 N ATOM 378 CA PRO A 25 -0.795 -12.906 -5.800 1.00 0.00 C ATOM 379 C PRO A 25 0.607 -12.934 -6.389 1.00 0.00 C ATOM 380 O PRO A 25 1.003 -12.073 -7.177 1.00 0.00 O ATOM 381 CB PRO A 25 -1.825 -13.280 -6.848 1.00 0.00 C ATOM 382 CG PRO A 25 -2.240 -11.940 -7.448 1.00 0.00 C ATOM 383 CD PRO A 25 -2.127 -10.998 -6.253 1.00 0.00 C ATOM 0 HA PRO A 25 -0.804 -13.612 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.404 -13.943 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.675 -13.800 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.584 -11.640 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.254 -11.970 -7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.830 -10.000 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.088 -10.897 -5.748 1.00 0.00 H new ATOM 391 N GLY A 26 1.302 -14.023 -6.110 1.00 0.00 N ATOM 392 CA GLY A 26 2.704 -14.199 -6.452 1.00 0.00 C ATOM 393 C GLY A 26 3.545 -13.877 -5.222 1.00 0.00 C ATOM 394 O GLY A 26 3.011 -13.704 -4.124 1.00 0.00 O ATOM 0 H GLY A 26 0.899 -14.827 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.889 -15.222 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.977 -13.545 -7.280 1.00 0.00 H new ATOM 398 N GLY A 27 4.862 -13.848 -5.396 1.00 0.00 N ATOM 399 CA GLY A 27 5.827 -13.628 -4.331 1.00 0.00 C ATOM 400 C GLY A 27 6.406 -12.218 -4.318 1.00 0.00 C ATOM 401 O GLY A 27 7.065 -11.860 -3.346 1.00 0.00 O ATOM 0 H GLY A 27 5.297 -13.981 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.349 -13.825 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.641 -14.346 -4.435 1.00 0.00 H new ATOM 405 N CYS A 28 6.080 -11.397 -5.324 1.00 0.00 N ATOM 406 CA CYS A 28 6.621 -10.065 -5.577 1.00 0.00 C ATOM 407 C CYS A 28 8.144 -10.019 -5.344 1.00 0.00 C ATOM 408 O CYS A 28 8.586 -9.500 -4.323 1.00 0.00 O ATOM 409 CB CYS A 28 5.867 -9.050 -4.709 1.00 0.00 C ATOM 410 SG CYS A 28 6.020 -7.384 -5.376 1.00 0.00 S ATOM 0 H CYS A 28 5.388 -11.666 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 28 6.473 -9.805 -6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.814 -9.327 -4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.258 -9.075 -3.692 1.00 0.00 H new ATOM 415 N PRO A 29 8.966 -10.549 -6.269 1.00 0.00 N ATOM 416 CA PRO A 29 10.405 -10.672 -6.065 1.00 0.00 C ATOM 417 C PRO A 29 11.071 -9.319 -5.815 1.00 0.00 C ATOM 418 O PRO A 29 10.661 -8.308 -6.399 1.00 0.00 O ATOM 419 CB PRO A 29 10.937 -11.350 -7.329 1.00 0.00 C ATOM 420 CG PRO A 29 9.954 -10.909 -8.408 1.00 0.00 C ATOM 421 CD PRO A 29 8.624 -10.819 -7.657 1.00 0.00 C ATOM 0 HA PRO A 29 10.631 -11.257 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.954 -11.032 -7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.958 -12.435 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.237 -9.950 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.906 -11.627 -9.226 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.998 -10.026 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.061 -11.748 -7.747 1.00 0.00 H new ATOM 429 N LEU A 30 12.116 -9.314 -4.978 1.00 0.00 N ATOM 430 CA LEU A 30 12.824 -8.112 -4.530 1.00 0.00 C ATOM 431 C LEU A 30 13.803 -7.678 -5.626 1.00 0.00 C ATOM 432 O LEU A 30 15.016 -7.584 -5.423 1.00 0.00 O ATOM 433 CB LEU A 30 13.576 -8.443 -3.219 1.00 0.00 C ATOM 434 CG LEU A 30 12.681 -8.672 -1.991 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.502 -9.217 -0.820 1.00 0.00 C ATOM 436 CD2 LEU A 30 11.983 -7.381 -1.544 1.00 0.00 C ATOM 0 H LEU A 30 12.502 -10.172 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 30 12.127 -7.296 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.179 -9.336 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.266 -7.628 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 30 11.922 -9.397 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.851 -9.373 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.958 -10.165 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.283 -8.502 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.360 -7.587 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.732 -6.633 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.360 -7.005 -2.355 1.00 0.00 H new ATOM 448 N GLU A 31 13.242 -7.328 -6.777 1.00 0.00 N ATOM 449 CA GLU A 31 13.961 -6.997 -7.990 1.00 0.00 C ATOM 450 C GLU A 31 14.117 -5.482 -8.106 1.00 0.00 C ATOM 451 O GLU A 31 15.233 -4.961 -8.152 1.00 0.00 O ATOM 452 CB GLU A 31 13.201 -7.612 -9.169 1.00 0.00 C ATOM 453 CG GLU A 31 13.911 -7.366 -10.506 1.00 0.00 C ATOM 454 CD GLU A 31 13.126 -7.923 -11.691 1.00 0.00 C ATOM 455 OE1 GLU A 31 12.108 -8.623 -11.487 1.00 0.00 O ATOM 456 OE2 GLU A 31 13.533 -7.644 -12.840 1.00 0.00 O ATOM 0 H GLU A 31 12.230 -7.266 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 31 14.971 -7.407 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.092 -8.685 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.196 -7.192 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.061 -6.295 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.899 -7.825 -10.480 1.00 0.00 H new ATOM 463 N GLU A 32 12.972 -4.804 -8.166 1.00 0.00 N ATOM 464 CA GLU A 32 12.756 -3.370 -8.242 1.00 0.00 C ATOM 465 C GLU A 32 11.629 -2.952 -7.311 1.00 0.00 C ATOM 466 O GLU A 32 10.457 -2.900 -7.697 1.00 0.00 O ATOM 467 CB GLU A 32 12.486 -2.908 -9.682 1.00 0.00 C ATOM 468 CG GLU A 32 13.737 -2.702 -10.540 1.00 0.00 C ATOM 469 CD GLU A 32 14.339 -1.299 -10.314 1.00 0.00 C ATOM 470 OE1 GLU A 32 13.800 -0.491 -9.520 1.00 0.00 O ATOM 471 OE2 GLU A 32 15.336 -0.954 -10.994 1.00 0.00 O ATOM 0 H GLU A 32 12.083 -5.304 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 32 13.673 -2.879 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.846 -3.643 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.928 -1.972 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.478 -3.463 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.485 -2.828 -11.593 1.00 0.00 H new ATOM 478 N PHE A 33 11.993 -2.657 -6.069 1.00 0.00 N ATOM 479 CA PHE A 33 11.114 -2.106 -5.062 1.00 0.00 C ATOM 480 C PHE A 33 11.582 -0.670 -4.879 1.00 0.00 C ATOM 481 O PHE A 33 12.696 -0.424 -4.408 1.00 0.00 O ATOM 482 CB PHE A 33 11.153 -2.883 -3.738 1.00 0.00 C ATOM 483 CG PHE A 33 10.321 -4.153 -3.624 1.00 0.00 C ATOM 484 CD1 PHE A 33 10.007 -4.974 -4.725 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.800 -4.481 -2.359 1.00 0.00 C ATOM 486 CE1 PHE A 33 9.174 -6.093 -4.550 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.958 -5.589 -2.183 1.00 0.00 C ATOM 488 CZ PHE A 33 8.651 -6.402 -3.283 1.00 0.00 C ATOM 0 H PHE A 33 12.944 -2.803 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 33 10.073 -2.169 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.191 -3.146 -3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.837 -2.205 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.406 -4.744 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.053 -3.868 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.934 -6.720 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.550 -5.814 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.013 -7.265 -3.157 1.00 0.00 H new ATOM 498 N SER A 34 10.729 0.276 -5.257 1.00 0.00 N ATOM 499 CA SER A 34 10.935 1.693 -5.049 1.00 0.00 C ATOM 500 C SER A 34 9.731 2.158 -4.243 1.00 0.00 C ATOM 501 O SER A 34 8.580 1.801 -4.538 1.00 0.00 O ATOM 502 CB SER A 34 11.107 2.411 -6.393 1.00 0.00 C ATOM 503 OG SER A 34 11.581 3.725 -6.187 1.00 0.00 O ATOM 0 H SER A 34 9.851 0.065 -5.730 1.00 0.00 H new ATOM 0 HA SER A 34 11.850 1.922 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.806 1.859 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.155 2.439 -6.923 1.00 0.00 H new ATOM 0 HG SER A 34 10.837 4.358 -6.267 1.00 0.00 H new ATOM 509 N VAL A 35 10.012 2.879 -3.167 1.00 0.00 N ATOM 510 CA VAL A 35 9.043 3.375 -2.212 1.00 0.00 C ATOM 511 C VAL A 35 9.366 4.860 -2.041 1.00 0.00 C ATOM 512 O VAL A 35 10.469 5.309 -2.363 1.00 0.00 O ATOM 513 CB VAL A 35 9.124 2.525 -0.923 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.027 2.879 0.077 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.977 1.025 -1.223 1.00 0.00 C ATOM 0 H VAL A 35 10.968 3.144 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 35 8.004 3.287 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 35 10.104 2.745 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.128 2.254 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.117 3.928 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.051 2.708 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.039 0.460 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.012 0.841 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.776 0.708 -1.894 1.00 0.00 H new ATOM 525 N TYR A 36 8.410 5.662 -1.590 1.00 0.00 N ATOM 526 CA TYR A 36 8.594 7.097 -1.524 1.00 0.00 C ATOM 527 C TYR A 36 7.927 7.562 -0.236 1.00 0.00 C ATOM 528 O TYR A 36 6.698 7.625 -0.168 1.00 0.00 O ATOM 529 CB TYR A 36 8.063 7.787 -2.790 1.00 0.00 C ATOM 530 CG TYR A 36 8.519 7.284 -4.155 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.120 6.012 -4.596 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.253 8.111 -5.030 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.517 5.515 -5.843 1.00 0.00 C ATOM 534 CE2 TYR A 36 9.631 7.637 -6.304 1.00 0.00 C ATOM 535 CZ TYR A 36 9.277 6.328 -6.708 1.00 0.00 C ATOM 536 OH TYR A 36 9.598 5.852 -7.943 1.00 0.00 O ATOM 0 H TYR A 36 7.499 5.337 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 36 9.649 7.371 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.975 7.728 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.326 8.843 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.494 5.404 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.527 9.110 -4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.242 4.514 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.191 8.274 -6.972 1.00 0.00 H new ATOM 0 HH TYR A 36 10.123 6.524 -8.426 1.00 0.00 H new ATOM 546 N GLY A 37 8.752 7.832 0.776 1.00 0.00 N ATOM 547 CA GLY A 37 8.371 8.164 2.137 1.00 0.00 C ATOM 548 C GLY A 37 7.976 6.908 2.915 1.00 0.00 C ATOM 549 O GLY A 37 7.524 5.924 2.334 1.00 0.00 O ATOM 0 H GLY A 37 9.765 7.822 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.200 8.662 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.537 8.866 2.125 1.00 0.00 H new ATOM 553 N ASN A 38 8.222 6.907 4.231 1.00 0.00 N ATOM 554 CA ASN A 38 7.768 5.838 5.128 1.00 0.00 C ATOM 555 C ASN A 38 6.464 6.303 5.758 1.00 0.00 C ATOM 556 O ASN A 38 6.301 7.513 5.938 1.00 0.00 O ATOM 557 CB ASN A 38 8.799 5.433 6.188 1.00 0.00 C ATOM 558 CG ASN A 38 8.938 6.279 7.455 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.286 5.740 8.496 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.728 7.581 7.430 1.00 0.00 N ATOM 0 H ASN A 38 8.741 7.647 4.703 1.00 0.00 H new ATOM 0 HA ASN A 38 7.621 4.929 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.568 4.414 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.775 5.406 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.856 8.135 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.438 8.034 6.564 1.00 0.00 H new ATOM 567 N ILE A 39 5.599 5.374 6.179 1.00 0.00 N ATOM 568 CA ILE A 39 4.245 5.625 6.685 1.00 0.00 C ATOM 569 C ILE A 39 3.394 6.258 5.587 1.00 0.00 C ATOM 570 O ILE A 39 2.436 5.624 5.147 1.00 0.00 O ATOM 571 CB ILE A 39 4.218 6.378 8.045 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.658 5.469 9.209 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.843 6.995 8.373 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.742 4.258 9.443 1.00 0.00 C ATOM 0 H ILE A 39 5.834 4.382 6.176 1.00 0.00 H new ATOM 0 HA ILE A 39 3.787 4.668 6.934 1.00 0.00 H new ATOM 0 HB ILE A 39 4.931 7.195 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.670 5.113 9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.699 6.062 10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.893 7.505 9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.570 7.710 7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.092 6.206 8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.122 3.671 10.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.734 4.603 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.720 3.640 8.546 1.00 0.00 H new ATOM 586 N VAL A 40 3.700 7.485 5.183 1.00 0.00 N ATOM 587 CA VAL A 40 3.079 8.168 4.075 1.00 0.00 C ATOM 588 C VAL A 40 3.844 7.711 2.845 1.00 0.00 C ATOM 589 O VAL A 40 4.889 8.262 2.501 1.00 0.00 O ATOM 590 CB VAL A 40 3.131 9.688 4.300 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.473 10.433 3.130 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.431 10.003 5.634 1.00 0.00 C ATOM 0 H VAL A 40 4.417 8.046 5.642 1.00 0.00 H new ATOM 0 HA VAL A 40 2.021 7.934 3.960 1.00 0.00 H new ATOM 0 HB VAL A 40 4.166 10.025 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.521 11.507 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.000 10.196 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.431 10.126 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.457 11.078 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.395 9.667 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.945 9.487 6.445 1.00 0.00 H new ATOM 602 N TYR A 41 3.311 6.675 2.217 1.00 0.00 N ATOM 603 CA TYR A 41 3.792 6.150 0.965 1.00 0.00 C ATOM 604 C TYR A 41 3.116 6.980 -0.112 1.00 0.00 C ATOM 605 O TYR A 41 1.884 6.995 -0.200 1.00 0.00 O ATOM 606 CB TYR A 41 3.437 4.661 0.878 1.00 0.00 C ATOM 607 CG TYR A 41 4.100 3.864 1.985 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.493 3.725 1.980 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.361 3.381 3.079 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.167 3.118 3.052 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.024 2.799 4.175 1.00 0.00 C ATOM 612 CZ TYR A 41 5.434 2.672 4.169 1.00 0.00 C ATOM 613 OH TYR A 41 6.088 2.213 5.272 1.00 0.00 O ATOM 0 H TYR A 41 2.506 6.166 2.583 1.00 0.00 H new ATOM 0 HA TYR A 41 4.874 6.214 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.355 4.540 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.747 4.268 -0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.059 4.091 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.284 3.457 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.239 2.994 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.456 2.448 5.024 1.00 0.00 H new ATOM 0 HH TYR A 41 7.020 2.018 5.042 1.00 0.00 H new ATOM 623 N ALA A 42 3.883 7.749 -0.883 1.00 0.00 N ATOM 624 CA ALA A 42 3.296 8.452 -2.012 1.00 0.00 C ATOM 625 C ALA A 42 2.824 7.412 -3.028 1.00 0.00 C ATOM 626 O ALA A 42 3.367 6.305 -3.103 1.00 0.00 O ATOM 627 CB ALA A 42 4.290 9.408 -2.643 1.00 0.00 C ATOM 0 H ALA A 42 4.883 7.896 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 42 2.452 9.052 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.821 9.918 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.607 10.144 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.158 8.850 -2.995 1.00 0.00 H new ATOM 633 N SER A 43 1.873 7.808 -3.865 1.00 0.00 N ATOM 634 CA SER A 43 1.172 6.972 -4.827 1.00 0.00 C ATOM 635 C SER A 43 2.138 6.205 -5.741 1.00 0.00 C ATOM 636 O SER A 43 1.917 5.037 -6.040 1.00 0.00 O ATOM 637 CB SER A 43 0.263 7.916 -5.614 1.00 0.00 C ATOM 638 OG SER A 43 -0.808 7.257 -6.226 1.00 0.00 O ATOM 0 H SER A 43 1.554 8.776 -3.891 1.00 0.00 H new ATOM 0 HA SER A 43 0.594 6.197 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.124 8.682 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.851 8.427 -6.376 1.00 0.00 H new ATOM 0 HG SER A 43 -1.653 7.620 -5.886 1.00 0.00 H new ATOM 644 N VAL A 44 3.242 6.830 -6.146 1.00 0.00 N ATOM 645 CA VAL A 44 4.246 6.256 -7.036 1.00 0.00 C ATOM 646 C VAL A 44 4.977 5.030 -6.433 1.00 0.00 C ATOM 647 O VAL A 44 5.626 4.286 -7.173 1.00 0.00 O ATOM 648 CB VAL A 44 5.139 7.420 -7.526 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.787 8.212 -6.379 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.175 6.994 -8.567 1.00 0.00 C ATOM 0 H VAL A 44 3.468 7.781 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 44 3.783 5.801 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 44 4.452 8.100 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.400 9.014 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.009 8.639 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.413 7.546 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.767 7.859 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.831 6.236 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.667 6.582 -9.439 1.00 0.00 H new ATOM 660 N SER A 45 4.866 4.773 -5.125 1.00 0.00 N ATOM 661 CA SER A 45 5.469 3.613 -4.470 1.00 0.00 C ATOM 662 C SER A 45 4.870 2.295 -4.961 1.00 0.00 C ATOM 663 O SER A 45 3.672 2.222 -5.243 1.00 0.00 O ATOM 664 CB SER A 45 5.219 3.678 -2.954 1.00 0.00 C ATOM 665 OG SER A 45 5.589 4.921 -2.388 1.00 0.00 O ATOM 0 H SER A 45 4.347 5.375 -4.485 1.00 0.00 H new ATOM 0 HA SER A 45 6.532 3.642 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.163 3.495 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.778 2.881 -2.464 1.00 0.00 H new ATOM 0 HG SER A 45 4.823 5.531 -2.409 1.00 0.00 H new ATOM 671 N SER A 46 5.691 1.243 -5.021 1.00 0.00 N ATOM 672 CA SER A 46 5.220 -0.103 -5.328 1.00 0.00 C ATOM 673 C SER A 46 4.252 -0.480 -4.199 1.00 0.00 C ATOM 674 O SER A 46 4.529 -0.166 -3.037 1.00 0.00 O ATOM 675 CB SER A 46 6.426 -1.052 -5.394 1.00 0.00 C ATOM 676 OG SER A 46 6.032 -2.412 -5.442 1.00 0.00 O ATOM 0 H SER A 46 6.696 1.304 -4.858 1.00 0.00 H new ATOM 0 HA SER A 46 4.712 -0.166 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.024 -0.817 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.062 -0.890 -4.524 1.00 0.00 H new ATOM 0 HG SER A 46 6.828 -2.982 -5.485 1.00 0.00 H new ATOM 682 N ILE A 47 3.145 -1.166 -4.502 1.00 0.00 N ATOM 683 CA ILE A 47 2.229 -1.640 -3.463 1.00 0.00 C ATOM 684 C ILE A 47 2.979 -2.660 -2.599 1.00 0.00 C ATOM 685 O ILE A 47 2.915 -2.566 -1.373 1.00 0.00 O ATOM 686 CB ILE A 47 0.916 -2.195 -4.073 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.111 -1.026 -4.688 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.054 -2.933 -3.028 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.176 -1.445 -5.409 1.00 0.00 C ATOM 0 H ILE A 47 2.864 -1.404 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 47 1.912 -0.814 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 47 1.181 -2.921 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.145 -0.322 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.750 -0.494 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.855 -3.304 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.617 -3.771 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.211 -2.246 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.674 -0.561 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.931 -2.123 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.839 -1.949 -4.706 1.00 0.00 H new ATOM 701 N CYS A 48 3.726 -3.589 -3.212 1.00 0.00 N ATOM 702 CA CYS A 48 4.553 -4.527 -2.463 1.00 0.00 C ATOM 703 C CYS A 48 5.588 -3.772 -1.643 1.00 0.00 C ATOM 704 O CYS A 48 5.757 -4.064 -0.464 1.00 0.00 O ATOM 705 CB CYS A 48 5.331 -5.461 -3.378 1.00 0.00 C ATOM 706 SG CYS A 48 4.437 -6.375 -4.622 1.00 0.00 S ATOM 0 H CYS A 48 3.770 -3.706 -4.224 1.00 0.00 H new ATOM 0 HA CYS A 48 3.872 -5.101 -1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.093 -4.869 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.854 -6.182 -2.749 1.00 0.00 H new ATOM 711 N GLY A 49 6.281 -2.824 -2.284 1.00 0.00 N ATOM 712 CA GLY A 49 7.313 -2.024 -1.657 1.00 0.00 C ATOM 713 C GLY A 49 6.782 -1.393 -0.382 1.00 0.00 C ATOM 714 O GLY A 49 7.317 -1.656 0.689 1.00 0.00 O ATOM 0 H GLY A 49 6.131 -2.596 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.179 -2.646 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.649 -1.247 -2.344 1.00 0.00 H new ATOM 718 N ALA A 50 5.708 -0.608 -0.490 1.00 0.00 N ATOM 719 CA ALA A 50 5.056 0.029 0.640 1.00 0.00 C ATOM 720 C ALA A 50 4.663 -1.005 1.697 1.00 0.00 C ATOM 721 O ALA A 50 4.943 -0.797 2.871 1.00 0.00 O ATOM 722 CB ALA A 50 3.833 0.812 0.151 1.00 0.00 C ATOM 0 H ALA A 50 5.264 -0.398 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 50 5.753 0.724 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.344 1.290 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.150 1.574 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.134 0.130 -0.334 1.00 0.00 H new ATOM 728 N ALA A 51 4.012 -2.103 1.304 1.00 0.00 N ATOM 729 CA ALA A 51 3.490 -3.096 2.235 1.00 0.00 C ATOM 730 C ALA A 51 4.601 -3.777 3.038 1.00 0.00 C ATOM 731 O ALA A 51 4.514 -3.840 4.264 1.00 0.00 O ATOM 732 CB ALA A 51 2.629 -4.110 1.476 1.00 0.00 C ATOM 0 H ALA A 51 3.833 -2.325 0.325 1.00 0.00 H new ATOM 0 HA ALA A 51 2.864 -2.585 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.240 -4.851 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.799 -3.594 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.235 -4.607 0.719 1.00 0.00 H new ATOM 738 N VAL A 52 5.619 -4.321 2.372 1.00 0.00 N ATOM 739 CA VAL A 52 6.740 -4.975 3.037 1.00 0.00 C ATOM 740 C VAL A 52 7.549 -3.938 3.841 1.00 0.00 C ATOM 741 O VAL A 52 7.915 -4.220 4.978 1.00 0.00 O ATOM 742 CB VAL A 52 7.563 -5.800 2.021 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.677 -6.601 2.712 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.710 -6.826 1.250 1.00 0.00 C ATOM 0 H VAL A 52 5.688 -4.319 1.354 1.00 0.00 H new ATOM 0 HA VAL A 52 6.384 -5.701 3.768 1.00 0.00 H new ATOM 0 HB VAL A 52 7.972 -5.059 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.234 -7.168 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.352 -5.917 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.237 -7.287 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.343 -7.374 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.256 -7.524 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.927 -6.306 0.698 1.00 0.00 H new ATOM 754 N HIS A 53 7.771 -2.718 3.332 1.00 0.00 N ATOM 755 CA HIS A 53 8.456 -1.637 4.058 1.00 0.00 C ATOM 756 C HIS A 53 7.729 -1.322 5.371 1.00 0.00 C ATOM 757 O HIS A 53 8.321 -1.300 6.450 1.00 0.00 O ATOM 758 CB HIS A 53 8.544 -0.400 3.149 1.00 0.00 C ATOM 759 CG HIS A 53 9.334 0.748 3.714 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.954 1.578 4.775 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.564 1.118 3.263 1.00 0.00 C ATOM 762 CE1 HIS A 53 10.009 2.394 4.961 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.978 2.155 4.060 1.00 0.00 N ATOM 0 H HIS A 53 7.477 -2.450 2.393 1.00 0.00 H new ATOM 0 HA HIS A 53 9.466 -1.952 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.990 -0.696 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.533 -0.054 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.108 0.681 2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.069 3.145 5.735 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.863 2.656 3.983 1.00 0.00 H new ATOM 771 N ARG A 54 6.412 -1.135 5.291 1.00 0.00 N ATOM 772 CA ARG A 54 5.485 -0.947 6.404 1.00 0.00 C ATOM 773 C ARG A 54 5.473 -2.147 7.357 1.00 0.00 C ATOM 774 O ARG A 54 4.994 -2.008 8.481 1.00 0.00 O ATOM 775 CB ARG A 54 4.109 -0.626 5.809 1.00 0.00 C ATOM 776 CG ARG A 54 2.986 -0.221 6.767 1.00 0.00 C ATOM 777 CD ARG A 54 3.250 1.067 7.557 1.00 0.00 C ATOM 778 NE ARG A 54 2.017 1.863 7.732 1.00 0.00 N ATOM 779 CZ ARG A 54 1.067 1.719 8.665 1.00 0.00 C ATOM 780 NH1 ARG A 54 1.147 0.786 9.608 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.033 2.555 8.643 1.00 0.00 N ATOM 0 H ARG A 54 5.935 -1.109 4.390 1.00 0.00 H new ATOM 0 HA ARG A 54 5.806 -0.114 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.238 0.180 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.774 -1.502 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.066 -0.098 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.817 -1.035 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.663 0.816 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.999 1.665 7.038 1.00 0.00 H new ATOM 0 HE ARG A 54 1.872 2.615 7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.948 0.155 9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.407 0.701 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.021 3.281 7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.706 2.470 9.341 1.00 0.00 H new ATOM 795 N GLY A 55 5.868 -3.335 6.903 1.00 0.00 N ATOM 796 CA GLY A 55 5.951 -4.526 7.735 1.00 0.00 C ATOM 797 C GLY A 55 4.627 -5.281 7.779 1.00 0.00 C ATOM 798 O GLY A 55 4.354 -5.989 8.749 1.00 0.00 O ATOM 0 H GLY A 55 6.142 -3.496 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.731 -5.183 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.241 -4.243 8.747 1.00 0.00 H new ATOM 802 N VAL A 56 3.774 -5.090 6.773 1.00 0.00 N ATOM 803 CA VAL A 56 2.456 -5.700 6.682 1.00 0.00 C ATOM 804 C VAL A 56 2.592 -7.172 6.284 1.00 0.00 C ATOM 805 O VAL A 56 1.939 -8.033 6.868 1.00 0.00 O ATOM 806 CB VAL A 56 1.616 -4.898 5.666 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.215 -5.471 5.482 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.459 -3.438 6.117 1.00 0.00 C ATOM 0 H VAL A 56 3.991 -4.489 5.978 1.00 0.00 H new ATOM 0 HA VAL A 56 1.949 -5.675 7.646 1.00 0.00 H new ATOM 0 HB VAL A 56 2.157 -4.960 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.332 -4.869 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.286 -6.497 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.312 -5.458 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.863 -2.893 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.960 -3.408 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.442 -2.975 6.201 1.00 0.00 H new ATOM 818 N ILE A 57 3.426 -7.466 5.289 1.00 0.00 N ATOM 819 CA ILE A 57 3.605 -8.794 4.716 1.00 0.00 C ATOM 820 C ILE A 57 5.096 -9.063 4.549 1.00 0.00 C ATOM 821 O ILE A 57 5.912 -8.135 4.572 1.00 0.00 O ATOM 822 CB ILE A 57 2.856 -8.928 3.363 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.067 -7.715 2.433 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.351 -9.161 3.582 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.819 -8.037 0.952 1.00 0.00 C ATOM 0 H ILE A 57 4.015 -6.761 4.846 1.00 0.00 H new ATOM 0 HA ILE A 57 3.178 -9.537 5.390 1.00 0.00 H new ATOM 0 HB ILE A 57 3.289 -9.797 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.399 -6.910 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.086 -7.347 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.853 -9.251 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.204 -10.078 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.929 -8.320 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.984 -7.142 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.505 -8.821 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.792 -8.377 0.821 1.00 0.00 H new ATOM 837 N SER A 58 5.441 -10.339 4.425 1.00 0.00 N ATOM 838 CA SER A 58 6.786 -10.794 4.119 1.00 0.00 C ATOM 839 C SER A 58 6.919 -10.760 2.591 1.00 0.00 C ATOM 840 O SER A 58 5.942 -10.478 1.881 1.00 0.00 O ATOM 841 CB SER A 58 6.960 -12.213 4.671 1.00 0.00 C ATOM 842 OG SER A 58 6.665 -12.236 6.059 1.00 0.00 O ATOM 0 H SER A 58 4.774 -11.103 4.538 1.00 0.00 H new ATOM 0 HA SER A 58 7.556 -10.168 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.302 -12.901 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.981 -12.554 4.503 1.00 0.00 H new ATOM 0 HG SER A 58 6.777 -13.147 6.402 1.00 0.00 H new ATOM 848 N ASN A 59 8.101 -11.057 2.043 1.00 0.00 N ATOM 849 CA ASN A 59 8.226 -11.162 0.595 1.00 0.00 C ATOM 850 C ASN A 59 7.700 -12.535 0.161 1.00 0.00 C ATOM 851 O ASN A 59 8.457 -13.445 -0.170 1.00 0.00 O ATOM 852 CB ASN A 59 9.681 -10.938 0.173 1.00 0.00 C ATOM 853 CG ASN A 59 9.695 -10.689 -1.318 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.007 -11.562 -2.122 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.331 -9.483 -1.707 1.00 0.00 N ATOM 0 H ASN A 59 8.960 -11.224 2.567 1.00 0.00 H new ATOM 0 HA ASN A 59 7.634 -10.392 0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.107 -10.088 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.289 -11.808 0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.303 -9.254 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.077 -8.779 -1.014 1.00 0.00 H new ATOM 862 N SER A 60 6.377 -12.684 0.208 1.00 0.00 N ATOM 863 CA SER A 60 5.645 -13.917 -0.054 1.00 0.00 C ATOM 864 C SER A 60 4.278 -13.653 -0.709 1.00 0.00 C ATOM 865 O SER A 60 3.615 -14.606 -1.128 1.00 0.00 O ATOM 866 CB SER A 60 5.573 -14.747 1.236 1.00 0.00 C ATOM 867 OG SER A 60 5.234 -16.099 0.971 1.00 0.00 O ATOM 0 H SER A 60 5.758 -11.908 0.442 1.00 0.00 H new ATOM 0 HA SER A 60 6.184 -14.510 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.534 -14.706 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.834 -14.311 1.908 1.00 0.00 H new ATOM 0 HG SER A 60 4.592 -16.136 0.232 1.00 0.00 H new ATOM 873 N GLY A 61 3.804 -12.399 -0.712 1.00 0.00 N ATOM 874 CA GLY A 61 2.474 -12.043 -1.194 1.00 0.00 C ATOM 875 C GLY A 61 1.443 -12.152 -0.074 1.00 0.00 C ATOM 876 O GLY A 61 1.801 -12.356 1.095 1.00 0.00 O ATOM 0 H GLY A 61 4.343 -11.601 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.485 -11.026 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.193 -12.699 -2.018 1.00 0.00 H new ATOM 880 N GLY A 62 0.168 -11.975 -0.423 1.00 0.00 N ATOM 881 CA GLY A 62 -0.965 -12.138 0.483 1.00 0.00 C ATOM 882 C GLY A 62 -1.974 -10.991 0.371 1.00 0.00 C ATOM 883 O GLY A 62 -1.817 -10.115 -0.486 1.00 0.00 O ATOM 0 H GLY A 62 -0.110 -11.708 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.466 -13.081 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.601 -12.198 1.508 1.00 0.00 H new ATOM 887 N PRO A 63 -3.032 -11.002 1.201 1.00 0.00 N ATOM 888 CA PRO A 63 -4.003 -9.922 1.286 1.00 0.00 C ATOM 889 C PRO A 63 -3.413 -8.735 2.057 1.00 0.00 C ATOM 890 O PRO A 63 -2.670 -8.912 3.027 1.00 0.00 O ATOM 891 CB PRO A 63 -5.202 -10.524 2.024 1.00 0.00 C ATOM 892 CG PRO A 63 -4.565 -11.558 2.948 1.00 0.00 C ATOM 893 CD PRO A 63 -3.349 -12.049 2.161 1.00 0.00 C ATOM 0 HA PRO A 63 -4.288 -9.540 0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.750 -9.767 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.909 -10.983 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.273 -11.117 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.253 -12.373 3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.505 -12.235 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.568 -12.988 1.653 1.00 0.00 H new ATOM 901 N VAL A 64 -3.762 -7.522 1.636 1.00 0.00 N ATOM 902 CA VAL A 64 -3.285 -6.259 2.179 1.00 0.00 C ATOM 903 C VAL A 64 -4.462 -5.267 2.130 1.00 0.00 C ATOM 904 O VAL A 64 -5.419 -5.455 1.378 1.00 0.00 O ATOM 905 CB VAL A 64 -2.057 -5.804 1.350 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.469 -4.496 1.848 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.915 -6.836 1.291 1.00 0.00 C ATOM 0 H VAL A 64 -4.419 -7.390 0.867 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.955 -6.336 3.215 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.466 -5.680 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.612 -4.224 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.223 -3.711 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.149 -4.612 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.096 -6.438 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.559 -7.043 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.281 -7.758 0.839 1.00 0.00 H new ATOM 917 N ARG A 65 -4.416 -4.188 2.913 1.00 0.00 N ATOM 918 CA ARG A 65 -5.513 -3.229 3.058 1.00 0.00 C ATOM 919 C ARG A 65 -4.953 -1.817 3.158 1.00 0.00 C ATOM 920 O ARG A 65 -4.338 -1.433 4.157 1.00 0.00 O ATOM 921 CB ARG A 65 -6.371 -3.678 4.242 1.00 0.00 C ATOM 922 CG ARG A 65 -7.574 -2.799 4.594 1.00 0.00 C ATOM 923 CD ARG A 65 -8.529 -3.532 5.560 1.00 0.00 C ATOM 924 NE ARG A 65 -9.510 -4.351 4.842 1.00 0.00 N ATOM 925 CZ ARG A 65 -10.327 -5.292 5.323 1.00 0.00 C ATOM 926 NH1 ARG A 65 -10.177 -5.800 6.541 1.00 0.00 N ATOM 927 NH2 ARG A 65 -11.328 -5.727 4.568 1.00 0.00 N ATOM 0 H ARG A 65 -3.599 -3.951 3.476 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.167 -3.204 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.734 -4.685 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.730 -3.744 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.230 -1.871 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.109 -2.527 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.950 -4.165 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.050 -2.802 6.180 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.578 -4.179 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.420 -5.472 7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.819 -6.518 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.466 -5.343 3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.960 -6.445 4.923 1.00 0.00 H new ATOM 941 N VAL A 66 -5.088 -1.086 2.060 1.00 0.00 N ATOM 942 CA VAL A 66 -4.619 0.277 1.850 1.00 0.00 C ATOM 943 C VAL A 66 -5.684 1.277 2.322 1.00 0.00 C ATOM 944 O VAL A 66 -6.883 1.040 2.165 1.00 0.00 O ATOM 945 CB VAL A 66 -4.340 0.446 0.334 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.948 1.878 -0.058 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.230 -0.498 -0.162 1.00 0.00 C ATOM 0 H VAL A 66 -5.561 -1.455 1.235 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.711 0.468 2.422 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.288 0.196 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.767 1.925 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.756 2.561 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.042 2.166 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.070 -0.343 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.306 -0.288 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.526 -1.532 0.014 1.00 0.00 H new ATOM 957 N TYR A 67 -5.244 2.433 2.825 1.00 0.00 N ATOM 958 CA TYR A 67 -6.072 3.571 3.205 1.00 0.00 C ATOM 959 C TYR A 67 -5.373 4.802 2.633 1.00 0.00 C ATOM 960 O TYR A 67 -4.160 4.950 2.807 1.00 0.00 O ATOM 961 CB TYR A 67 -6.204 3.673 4.728 1.00 0.00 C ATOM 962 CG TYR A 67 -6.957 2.529 5.379 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.354 2.599 5.544 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.257 1.402 5.844 1.00 0.00 C ATOM 965 CE1 TYR A 67 -9.050 1.540 6.155 1.00 0.00 C ATOM 966 CE2 TYR A 67 -6.950 0.356 6.474 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.347 0.415 6.634 1.00 0.00 C ATOM 968 OH TYR A 67 -8.999 -0.587 7.283 1.00 0.00 O ATOM 0 H TYR A 67 -4.251 2.605 2.985 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.086 3.472 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.206 3.726 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.708 4.608 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.893 3.469 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.186 1.341 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.124 1.589 6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.406 -0.502 6.839 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.357 -1.281 7.541 1.00 0.00 H new ATOM 978 N SER A 68 -6.087 5.674 1.914 1.00 0.00 N ATOM 979 CA SER A 68 -5.490 6.916 1.441 1.00 0.00 C ATOM 980 C SER A 68 -5.089 7.798 2.632 1.00 0.00 C ATOM 981 O SER A 68 -5.490 7.571 3.781 1.00 0.00 O ATOM 982 CB SER A 68 -6.390 7.630 0.418 1.00 0.00 C ATOM 983 OG SER A 68 -7.654 8.018 0.928 1.00 0.00 O ATOM 0 H SER A 68 -7.064 5.542 1.652 1.00 0.00 H new ATOM 0 HA SER A 68 -4.574 6.684 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.872 8.516 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.542 6.972 -0.437 1.00 0.00 H new ATOM 0 HG SER A 68 -8.085 7.248 1.355 1.00 0.00 H new ATOM 989 N LEU A 69 -4.286 8.814 2.347 1.00 0.00 N ATOM 990 CA LEU A 69 -3.826 9.839 3.270 1.00 0.00 C ATOM 991 C LEU A 69 -4.003 11.168 2.521 1.00 0.00 C ATOM 992 O LEU A 69 -3.893 11.152 1.288 1.00 0.00 O ATOM 993 CB LEU A 69 -2.363 9.494 3.613 1.00 0.00 C ATOM 994 CG LEU A 69 -1.822 10.113 4.915 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.889 9.102 5.580 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.089 11.446 4.682 1.00 0.00 C ATOM 0 H LEU A 69 -3.916 8.952 1.406 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.368 9.905 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.270 8.410 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.729 9.817 2.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.669 10.340 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.496 9.524 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.441 8.189 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.064 8.871 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.730 11.835 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.243 11.284 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.774 12.164 4.232 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.320 12.296 3.182 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.494 13.583 2.507 1.00 0.00 C ATOM 1010 C PRO A 70 -3.204 14.070 1.834 1.00 0.00 C ATOM 1011 O PRO A 70 -2.174 13.389 1.835 1.00 0.00 O ATOM 1012 CB PRO A 70 -5.003 14.553 3.581 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.561 13.918 4.894 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.642 12.425 4.595 1.00 0.00 C ATOM 0 HA PRO A 70 -5.207 13.503 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.575 15.548 3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.086 14.664 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.551 14.221 5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.214 14.201 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.940 11.862 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.637 12.035 4.808 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.274 15.223 1.164 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.095 15.861 0.594 1.00 0.00 C ATOM 1024 C GLY A 71 -1.082 16.082 1.709 1.00 0.00 C ATOM 1025 O GLY A 71 -1.465 16.504 2.804 1.00 0.00 O ATOM 0 H GLY A 71 -4.143 15.733 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.667 15.236 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.364 16.811 0.132 1.00 0.00 H new ATOM 1029 N ARG A 72 0.193 15.816 1.444 1.00 0.00 N ATOM 1030 CA ARG A 72 1.295 16.088 2.352 1.00 0.00 C ATOM 1031 C ARG A 72 2.515 16.510 1.552 1.00 0.00 C ATOM 1032 O ARG A 72 2.583 16.312 0.340 1.00 0.00 O ATOM 1033 CB ARG A 72 1.614 14.862 3.230 1.00 0.00 C ATOM 1034 CG ARG A 72 0.707 14.689 4.456 1.00 0.00 C ATOM 1035 CD ARG A 72 1.523 13.953 5.529 1.00 0.00 C ATOM 1036 NE ARG A 72 0.843 13.873 6.829 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.326 13.261 7.919 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.454 12.565 7.876 1.00 0.00 N ATOM 1039 NH2 ARG A 72 0.665 13.335 9.065 1.00 0.00 N ATOM 0 H ARG A 72 0.494 15.393 0.566 1.00 0.00 H new ATOM 0 HA ARG A 72 1.005 16.898 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.543 13.965 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.647 14.935 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.372 15.658 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.186 14.121 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.742 12.944 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.479 14.460 5.658 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.071 14.319 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.972 12.487 7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.803 12.107 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.210 13.857 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.031 12.870 9.896 1.00 0.00 H new ATOM 1053 N GLU A 73 3.479 17.075 2.263 1.00 0.00 N ATOM 1054 CA GLU A 73 4.805 17.477 1.837 1.00 0.00 C ATOM 1055 C GLU A 73 5.762 17.019 2.956 1.00 0.00 C ATOM 1056 O GLU A 73 5.363 16.194 3.782 1.00 0.00 O ATOM 1057 CB GLU A 73 4.809 18.984 1.506 1.00 0.00 C ATOM 1058 CG GLU A 73 4.752 19.946 2.698 1.00 0.00 C ATOM 1059 CD GLU A 73 3.447 19.873 3.487 1.00 0.00 C ATOM 1060 OE1 GLU A 73 3.326 19.067 4.438 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.513 20.638 3.156 1.00 0.00 O ATOM 0 H GLU A 73 3.334 17.283 3.251 1.00 0.00 H new ATOM 0 HA GLU A 73 5.141 17.013 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.709 19.205 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.958 19.193 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.584 19.729 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.891 20.965 2.337 1.00 0.00 H new ATOM 1068 N ASN A 74 7.005 17.510 3.012 1.00 0.00 N ATOM 1069 CA ASN A 74 7.957 17.224 4.100 1.00 0.00 C ATOM 1070 C ASN A 74 8.155 15.717 4.326 1.00 0.00 C ATOM 1071 O ASN A 74 8.088 15.216 5.456 1.00 0.00 O ATOM 1072 CB ASN A 74 7.537 17.925 5.405 1.00 0.00 C ATOM 1073 CG ASN A 74 7.561 19.439 5.319 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.558 20.041 4.929 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.499 20.098 5.731 1.00 0.00 N ATOM 0 H ASN A 74 7.387 18.126 2.294 1.00 0.00 H new ATOM 0 HA ASN A 74 8.920 17.628 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.531 17.601 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.200 17.605 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.499 21.118 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.676 19.589 6.053 1.00 0.00 H new ATOM 1082 N TYR A 75 8.400 14.981 3.245 1.00 0.00 N ATOM 1083 CA TYR A 75 8.711 13.558 3.275 1.00 0.00 C ATOM 1084 C TYR A 75 10.143 13.362 3.794 1.00 0.00 C ATOM 1085 O TYR A 75 10.799 14.289 4.274 1.00 0.00 O ATOM 1086 CB TYR A 75 8.531 12.961 1.870 1.00 0.00 C ATOM 1087 CG TYR A 75 7.123 13.054 1.314 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.714 14.212 0.629 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.233 11.969 1.444 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.423 14.293 0.084 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.948 12.036 0.876 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.534 13.203 0.199 1.00 0.00 C ATOM 1093 OH TYR A 75 3.304 13.295 -0.365 1.00 0.00 O ATOM 0 H TYR A 75 8.387 15.369 2.302 1.00 0.00 H new ATOM 0 HA TYR A 75 8.031 13.037 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.211 13.468 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.828 11.912 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.396 15.042 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.539 11.083 1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.109 15.192 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.277 11.193 0.958 1.00 0.00 H new ATOM 0 HH TYR A 75 2.813 12.460 -0.216 1.00 0.00 H new ATOM 1103 N SER A 76 10.642 12.131 3.760 1.00 0.00 N ATOM 1104 CA SER A 76 11.991 11.754 4.151 1.00 0.00 C ATOM 1105 C SER A 76 12.342 10.472 3.402 1.00 0.00 C ATOM 1106 O SER A 76 11.457 9.865 2.790 1.00 0.00 O ATOM 1107 CB SER A 76 12.029 11.529 5.668 1.00 0.00 C ATOM 1108 OG SER A 76 11.689 12.730 6.345 1.00 0.00 O ATOM 0 H SER A 76 10.090 11.334 3.444 1.00 0.00 H new ATOM 0 HA SER A 76 12.712 12.534 3.906 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.333 10.737 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.023 11.200 5.971 1.00 0.00 H new ATOM 0 HG SER A 76 11.473 13.425 5.689 1.00 0.00 H new ATOM 1114 N SER A 77 13.592 10.037 3.514 1.00 0.00 N ATOM 1115 CA SER A 77 14.079 8.813 2.902 1.00 0.00 C ATOM 1116 C SER A 77 14.413 7.879 4.063 1.00 0.00 C ATOM 1117 O SER A 77 15.136 8.275 4.981 1.00 0.00 O ATOM 1118 CB SER A 77 15.275 9.146 2.000 1.00 0.00 C ATOM 1119 OG SER A 77 14.908 10.150 1.063 1.00 0.00 O ATOM 0 H SER A 77 14.306 10.537 4.043 1.00 0.00 H new ATOM 0 HA SER A 77 13.354 8.323 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.114 9.490 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.607 8.250 1.475 1.00 0.00 H new ATOM 0 HG SER A 77 15.676 10.360 0.491 1.00 0.00 H new ATOM 1125 N VAL A 78 13.826 6.679 4.082 1.00 0.00 N ATOM 1126 CA VAL A 78 13.930 5.728 5.192 1.00 0.00 C ATOM 1127 C VAL A 78 13.945 4.295 4.636 1.00 0.00 C ATOM 1128 O VAL A 78 13.250 4.026 3.653 1.00 0.00 O ATOM 1129 CB VAL A 78 12.700 5.941 6.115 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.846 5.256 7.475 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.323 7.412 6.395 1.00 0.00 C ATOM 0 H VAL A 78 13.254 6.335 3.311 1.00 0.00 H new ATOM 0 HA VAL A 78 14.849 5.885 5.757 1.00 0.00 H new ATOM 0 HB VAL A 78 11.904 5.486 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.954 5.442 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.969 4.183 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.719 5.655 7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.452 7.446 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.160 7.916 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.091 7.913 5.455 1.00 0.00 H new ATOM 1141 N ASP A 79 14.648 3.358 5.271 1.00 0.00 N ATOM 1142 CA ASP A 79 14.707 1.941 4.882 1.00 0.00 C ATOM 1143 C ASP A 79 13.996 1.070 5.917 1.00 0.00 C ATOM 1144 O ASP A 79 13.954 1.430 7.100 1.00 0.00 O ATOM 1145 CB ASP A 79 16.159 1.470 4.709 1.00 0.00 C ATOM 1146 CG ASP A 79 16.252 0.076 4.063 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.085 -0.953 4.761 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.584 0.021 2.859 1.00 0.00 O ATOM 0 H ASP A 79 15.211 3.566 6.096 1.00 0.00 H new ATOM 0 HA ASP A 79 14.198 1.840 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.700 2.189 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.650 1.450 5.682 1.00 0.00 H new ATOM 1153 N ALA A 80 13.364 -0.015 5.472 1.00 0.00 N ATOM 1154 CA ALA A 80 12.743 -1.043 6.295 1.00 0.00 C ATOM 1155 C ALA A 80 12.704 -2.326 5.467 1.00 0.00 C ATOM 1156 O ALA A 80 12.471 -2.255 4.262 1.00 0.00 O ATOM 1157 CB ALA A 80 11.326 -0.630 6.677 1.00 0.00 C ATOM 0 H ALA A 80 13.268 -0.207 4.475 1.00 0.00 H new ATOM 0 HA ALA A 80 13.310 -1.190 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.874 -1.408 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.358 0.304 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.732 -0.490 5.774 1.00 0.00 H new ATOM 1163 N ASN A 81 12.871 -3.499 6.089 1.00 0.00 N ATOM 1164 CA ASN A 81 12.981 -4.797 5.404 1.00 0.00 C ATOM 1165 C ASN A 81 13.979 -4.819 4.227 1.00 0.00 C ATOM 1166 O ASN A 81 13.866 -5.677 3.352 1.00 0.00 O ATOM 1167 CB ASN A 81 11.587 -5.360 5.032 1.00 0.00 C ATOM 1168 CG ASN A 81 10.907 -6.058 6.200 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.463 -6.997 6.766 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.689 -5.697 6.558 1.00 0.00 N ATOM 0 H ASN A 81 12.935 -3.576 7.104 1.00 0.00 H new ATOM 0 HA ASN A 81 13.424 -5.478 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.953 -4.546 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.692 -6.062 4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.208 -6.197 7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.229 -4.918 6.087 1.00 0.00 H new ATOM 1177 N GLY A 82 14.983 -3.932 4.195 1.00 0.00 N ATOM 1178 CA GLY A 82 15.920 -3.865 3.078 1.00 0.00 C ATOM 1179 C GLY A 82 15.238 -3.347 1.816 1.00 0.00 C ATOM 1180 O GLY A 82 15.498 -3.826 0.704 1.00 0.00 O ATOM 0 H GLY A 82 15.163 -3.252 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.754 -3.213 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.336 -4.855 2.889 1.00 0.00 H new ATOM 1184 N ILE A 83 14.323 -2.401 1.995 1.00 0.00 N ATOM 1185 CA ILE A 83 13.593 -1.692 0.969 1.00 0.00 C ATOM 1186 C ILE A 83 13.761 -0.234 1.355 1.00 0.00 C ATOM 1187 O ILE A 83 13.490 0.138 2.500 1.00 0.00 O ATOM 1188 CB ILE A 83 12.107 -2.116 0.944 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.932 -3.636 0.726 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.365 -1.336 -0.157 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.562 -4.131 1.193 1.00 0.00 C ATOM 0 H ILE A 83 14.058 -2.093 2.931 1.00 0.00 H new ATOM 0 HA ILE A 83 13.959 -1.900 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 83 11.681 -1.881 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.059 -3.867 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.713 -4.171 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.317 -1.637 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.433 -0.267 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.819 -1.551 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.485 -5.204 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.444 -3.925 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.780 -3.616 0.635 1.00 0.00 H new ATOM 1203 N GLN A 84 14.128 0.601 0.393 1.00 0.00 N ATOM 1204 CA GLN A 84 14.426 1.995 0.631 1.00 0.00 C ATOM 1205 C GLN A 84 13.220 2.786 0.144 1.00 0.00 C ATOM 1206 O GLN A 84 12.508 2.376 -0.779 1.00 0.00 O ATOM 1207 CB GLN A 84 15.699 2.353 -0.157 1.00 0.00 C ATOM 1208 CG GLN A 84 16.169 3.813 -0.049 1.00 0.00 C ATOM 1209 CD GLN A 84 16.627 4.205 1.352 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.640 3.724 1.853 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.940 5.121 2.012 1.00 0.00 N ATOM 0 H GLN A 84 14.226 0.321 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 84 14.607 2.219 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.507 1.706 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.528 2.124 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.989 3.975 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.355 4.471 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.098 5.523 1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.252 5.426 2.934 1.00 0.00 H new ATOM 1220 N SER A 85 12.971 3.903 0.818 1.00 0.00 N ATOM 1221 CA SER A 85 11.966 4.873 0.449 1.00 0.00 C ATOM 1222 C SER A 85 12.684 6.209 0.287 1.00 0.00 C ATOM 1223 O SER A 85 13.647 6.458 1.021 1.00 0.00 O ATOM 1224 CB SER A 85 10.805 4.889 1.456 1.00 0.00 C ATOM 1225 OG SER A 85 11.191 5.363 2.731 1.00 0.00 O ATOM 0 H SER A 85 13.483 4.160 1.662 1.00 0.00 H new ATOM 0 HA SER A 85 11.484 4.621 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.002 5.516 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.402 3.881 1.555 1.00 0.00 H new ATOM 0 HG SER A 85 11.709 4.672 3.194 1.00 0.00 H new ATOM 1231 N GLN A 86 12.237 7.054 -0.642 1.00 0.00 N ATOM 1232 CA GLN A 86 12.853 8.343 -0.948 1.00 0.00 C ATOM 1233 C GLN A 86 11.887 9.495 -0.656 1.00 0.00 C ATOM 1234 O GLN A 86 10.669 9.312 -0.697 1.00 0.00 O ATOM 1235 CB GLN A 86 13.336 8.348 -2.411 1.00 0.00 C ATOM 1236 CG GLN A 86 12.197 8.291 -3.448 1.00 0.00 C ATOM 1237 CD GLN A 86 12.505 7.361 -4.620 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.115 7.760 -5.608 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.056 6.117 -4.549 1.00 0.00 N ATOM 0 H GLN A 86 11.417 6.856 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 86 13.719 8.492 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.927 9.247 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.998 7.497 -2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.282 7.958 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.008 9.295 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.551 5.804 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.215 5.472 -5.323 1.00 0.00 H new ATOM 1248 N MET A 87 12.410 10.685 -0.364 1.00 0.00 N ATOM 1249 CA MET A 87 11.598 11.885 -0.198 1.00 0.00 C ATOM 1250 C MET A 87 10.932 12.270 -1.531 1.00 0.00 C ATOM 1251 O MET A 87 11.327 11.801 -2.599 1.00 0.00 O ATOM 1252 CB MET A 87 12.451 13.013 0.411 1.00 0.00 C ATOM 1253 CG MET A 87 13.524 13.590 -0.527 1.00 0.00 C ATOM 1254 SD MET A 87 12.956 14.855 -1.707 1.00 0.00 S ATOM 1255 CE MET A 87 12.795 16.282 -0.599 1.00 0.00 C ATOM 0 H MET A 87 13.410 10.842 -0.236 1.00 0.00 H new ATOM 0 HA MET A 87 10.785 11.693 0.503 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.789 13.821 0.723 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.939 12.635 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.318 14.021 0.083 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.966 12.768 -1.091 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.488 17.156 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.047 16.068 0.164 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.754 16.481 -0.121 1.00 0.00 H new ATOM 1265 N LEU A 88 9.930 13.154 -1.479 1.00 0.00 N ATOM 1266 CA LEU A 88 9.232 13.693 -2.645 1.00 0.00 C ATOM 1267 C LEU A 88 9.022 15.191 -2.456 1.00 0.00 C ATOM 1268 O LEU A 88 9.492 15.776 -1.477 1.00 0.00 O ATOM 1269 CB LEU A 88 7.873 13.035 -2.924 1.00 0.00 C ATOM 1270 CG LEU A 88 7.837 11.503 -2.842 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.329 11.078 -1.473 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.880 10.973 -3.899 1.00 0.00 C ATOM 0 H LEU A 88 9.574 13.523 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 88 9.866 13.477 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.147 13.434 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.545 13.333 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 88 8.840 11.108 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.304 9.990 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.994 11.467 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.325 11.473 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.848 9.885 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.882 11.374 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.223 11.280 -4.887 1.00 0.00 H new ATOM 1284 N SER A 89 8.282 15.797 -3.383 1.00 0.00 N ATOM 1285 CA SER A 89 7.922 17.196 -3.395 1.00 0.00 C ATOM 1286 C SER A 89 6.397 17.375 -3.450 1.00 0.00 C ATOM 1287 O SER A 89 5.838 17.588 -4.526 1.00 0.00 O ATOM 1288 CB SER A 89 8.679 17.897 -4.537 1.00 0.00 C ATOM 1289 OG SER A 89 8.758 17.095 -5.709 1.00 0.00 O ATOM 0 H SER A 89 7.903 15.291 -4.183 1.00 0.00 H new ATOM 0 HA SER A 89 8.226 17.675 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.181 18.837 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.686 18.146 -4.202 1.00 0.00 H new ATOM 0 HG SER A 89 9.245 17.582 -6.406 1.00 0.00 H new ATOM 1295 N ARG A 90 5.716 17.272 -2.299 1.00 0.00 N ATOM 1296 CA ARG A 90 4.278 17.562 -2.174 1.00 0.00 C ATOM 1297 C ARG A 90 3.396 16.655 -3.045 1.00 0.00 C ATOM 1298 O ARG A 90 2.793 17.120 -4.006 1.00 0.00 O ATOM 1299 CB ARG A 90 4.059 19.085 -2.332 1.00 0.00 C ATOM 1300 CG ARG A 90 2.605 19.606 -2.226 1.00 0.00 C ATOM 1301 CD ARG A 90 2.189 20.454 -3.446 1.00 0.00 C ATOM 1302 NE ARG A 90 2.381 19.691 -4.687 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.774 19.788 -5.865 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.943 20.786 -6.130 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.019 18.853 -6.774 1.00 0.00 N ATOM 0 H ARG A 90 6.150 16.983 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 90 3.932 17.301 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.656 19.592 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.455 19.384 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.926 18.759 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.502 20.204 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.145 20.751 -3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.779 21.370 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 90 3.098 18.968 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.759 21.498 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.487 20.842 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.658 18.088 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.568 18.900 -7.688 1.00 0.00 H new ATOM 1319 N TRP A 91 3.407 15.344 -2.821 1.00 0.00 N ATOM 1320 CA TRP A 91 2.636 14.429 -3.658 1.00 0.00 C ATOM 1321 C TRP A 91 1.184 14.368 -3.166 1.00 0.00 C ATOM 1322 O TRP A 91 0.875 13.761 -2.134 1.00 0.00 O ATOM 1323 CB TRP A 91 3.297 13.046 -3.704 1.00 0.00 C ATOM 1324 CG TRP A 91 3.108 12.313 -4.997 1.00 0.00 C ATOM 1325 CD1 TRP A 91 1.969 11.743 -5.439 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.079 12.092 -6.054 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.183 11.126 -6.656 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.484 11.296 -7.076 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.409 12.500 -6.247 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.200 10.894 -8.214 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.162 12.035 -7.334 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.559 11.237 -8.323 1.00 0.00 C ATOM 0 H TRP A 91 3.936 14.894 -2.074 1.00 0.00 H new ATOM 0 HA TRP A 91 2.621 14.802 -4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.365 13.161 -3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.896 12.438 -2.893 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.024 11.766 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.471 10.612 -7.175 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.860 13.185 -5.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.714 10.329 -8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.208 12.290 -7.412 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.139 10.888 -9.165 1.00 0.00 H new ATOM 1343 N SER A 92 0.259 14.935 -3.941 1.00 0.00 N ATOM 1344 CA SER A 92 -1.175 15.019 -3.656 1.00 0.00 C ATOM 1345 C SER A 92 -1.892 13.688 -3.955 1.00 0.00 C ATOM 1346 O SER A 92 -3.030 13.641 -4.436 1.00 0.00 O ATOM 1347 CB SER A 92 -1.781 16.146 -4.496 1.00 0.00 C ATOM 1348 OG SER A 92 -1.023 17.346 -4.425 1.00 0.00 O ATOM 0 H SER A 92 0.502 15.371 -4.831 1.00 0.00 H new ATOM 0 HA SER A 92 -1.309 15.228 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.849 15.824 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.798 16.342 -4.156 1.00 0.00 H new ATOM 0 HG SER A 92 -1.448 18.035 -4.978 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.195 12.584 -3.724 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.666 11.224 -3.799 1.00 0.00 C ATOM 1356 C ALA A 93 -0.721 10.458 -2.883 1.00 0.00 C ATOM 1357 O ALA A 93 0.419 10.179 -3.250 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.692 10.731 -5.252 1.00 0.00 C ATOM 0 H ALA A 93 -0.211 12.629 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.698 11.092 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.051 9.702 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.357 11.364 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.686 10.776 -5.670 1.00 0.00 H new ATOM 1364 N SER A 94 -1.138 10.238 -1.644 1.00 0.00 N ATOM 1365 CA SER A 94 -0.379 9.485 -0.663 1.00 0.00 C ATOM 1366 C SER A 94 -1.326 8.533 0.067 1.00 0.00 C ATOM 1367 O SER A 94 -2.551 8.712 0.029 1.00 0.00 O ATOM 1368 CB SER A 94 0.342 10.448 0.291 1.00 0.00 C ATOM 1369 OG SER A 94 1.256 11.310 -0.378 1.00 0.00 O ATOM 0 H SER A 94 -2.029 10.585 -1.289 1.00 0.00 H new ATOM 0 HA SER A 94 0.392 8.886 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.398 11.050 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.879 9.871 1.044 1.00 0.00 H new ATOM 0 HG SER A 94 0.758 11.995 -0.871 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.770 7.517 0.722 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.513 6.480 1.411 1.00 0.00 C ATOM 1377 C PHE A 95 -0.658 5.852 2.505 1.00 0.00 C ATOM 1378 O PHE A 95 0.532 6.142 2.622 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.934 5.404 0.381 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.809 4.559 -0.212 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.124 4.984 -1.368 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.470 3.320 0.369 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.886 4.182 -1.933 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.531 2.513 -0.203 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.210 2.942 -1.356 1.00 0.00 C ATOM 0 H PHE A 95 0.241 7.394 0.786 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.398 6.913 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.650 4.735 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.457 5.899 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.375 5.931 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.982 2.988 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.413 4.521 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.778 1.562 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.977 2.322 -1.797 1.00 0.00 H new ATOM 1395 N THR A 96 -1.273 5.006 3.322 1.00 0.00 N ATOM 1396 CA THR A 96 -0.591 4.211 4.321 1.00 0.00 C ATOM 1397 C THR A 96 -1.294 2.850 4.241 1.00 0.00 C ATOM 1398 O THR A 96 -2.506 2.772 4.011 1.00 0.00 O ATOM 1399 CB THR A 96 -0.548 4.888 5.705 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.515 4.306 6.432 1.00 0.00 O ATOM 1401 CG2 THR A 96 -1.845 4.778 6.504 1.00 0.00 C ATOM 0 H THR A 96 -2.281 4.854 3.304 1.00 0.00 H new ATOM 0 HA THR A 96 0.477 4.091 4.137 1.00 0.00 H new ATOM 0 HB THR A 96 -0.403 5.956 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.359 4.733 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.725 5.281 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.656 5.247 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.080 3.727 6.673 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.518 1.772 4.250 1.00 0.00 N ATOM 1410 CA VAL A 97 -1.031 0.424 4.079 1.00 0.00 C ATOM 1411 C VAL A 97 -1.003 -0.324 5.413 1.00 0.00 C ATOM 1412 O VAL A 97 -0.231 0.036 6.298 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.308 -0.206 2.878 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.200 -0.394 3.051 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.923 -1.541 2.497 1.00 0.00 C ATOM 0 H VAL A 97 0.493 1.813 4.378 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.088 0.387 3.817 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.445 0.526 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.616 -0.845 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.670 0.574 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.390 -1.046 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.387 -1.958 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.853 -2.228 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.970 -1.397 2.232 1.00 0.00 H new ATOM 1425 N THR A 98 -1.830 -1.354 5.558 1.00 0.00 N ATOM 1426 CA THR A 98 -1.981 -2.164 6.760 1.00 0.00 C ATOM 1427 C THR A 98 -2.463 -3.570 6.367 1.00 0.00 C ATOM 1428 O THR A 98 -2.676 -3.845 5.180 1.00 0.00 O ATOM 1429 CB THR A 98 -2.958 -1.470 7.728 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.045 -0.867 7.055 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.303 -0.380 8.582 1.00 0.00 C ATOM 0 H THR A 98 -2.443 -1.661 4.803 1.00 0.00 H new ATOM 0 HA THR A 98 -1.025 -2.268 7.272 1.00 0.00 H new ATOM 0 HB THR A 98 -3.303 -2.279 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.126 -1.250 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.050 0.065 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.506 -0.818 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.886 0.390 7.932 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.632 -4.453 7.354 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.171 -5.794 7.177 1.00 0.00 C ATOM 1441 C LEU A 99 -4.675 -5.732 6.931 1.00 0.00 C ATOM 1442 O LEU A 99 -5.354 -4.776 7.328 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.885 -6.648 8.423 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.466 -7.237 8.464 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.200 -7.851 9.836 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.293 -8.326 7.394 1.00 0.00 C ATOM 0 H LEU A 99 -2.390 -4.245 8.323 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.689 -6.250 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.040 -6.038 9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.607 -7.463 8.466 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.760 -6.430 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.193 -8.267 9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.293 -7.082 10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.924 -8.643 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.281 -8.727 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.010 -9.128 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.465 -7.897 6.407 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.174 -6.766 6.252 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.553 -6.893 5.818 1.00 0.00 C ATOM 1460 C GLU A 100 -7.334 -7.459 6.987 1.00 0.00 C ATOM 1461 O GLU A 100 -7.213 -8.666 7.272 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.602 -7.731 4.520 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.878 -7.520 3.680 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.804 -8.737 3.570 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.355 -9.820 3.138 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -10.021 -8.612 3.862 1.00 0.00 O ATOM 1467 OXT GLU A 100 -7.906 -6.643 7.743 1.00 0.00 O ATOM 0 H GLU A 100 -4.601 -7.565 5.982 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.016 -5.942 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.733 -7.485 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.521 -8.787 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.443 -6.693 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.585 -7.217 2.675 1.00 0.00 H new