USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 Single : A 1 LYS N :NH3+ -174:sc= 0 (180deg=-0.00556) USER MOD Single : A 1 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.686) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00506 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 0:sc= -0.281 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.6! K(o=-1.6!,f=0.68) USER MOD Single : A 22 GLN : amide:sc= -3.06 K(o=-3.1,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.91! C(o=-3.9!,f=-10!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.45 USER MOD Single : A 67 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0188 (180deg=-0.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 75:sc= 1.09 USER MOD Single : A 75 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 3.545 -0.299 -0.951 1.00 0.00 C ATOM 4 O LYS A 1 4.083 -1.302 -1.417 1.00 0.00 O ATOM 5 CB LYS A 1 1.852 1.310 -2.004 1.00 0.00 C ATOM 6 CG LYS A 1 0.529 1.282 -2.773 1.00 0.00 C ATOM 7 CD LYS A 1 0.062 2.698 -3.113 1.00 0.00 C ATOM 8 CE LYS A 1 0.610 3.147 -4.469 1.00 0.00 C ATOM 9 NZ LYS A 1 2.008 3.614 -4.333 1.00 0.00 N ATOM 0 H1 LYS A 1 0.310 0.101 -0.205 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.489 -0.895 0.503 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.639 0.794 0.594 1.00 0.00 H new ATOM 0 HA LYS A 1 1.712 -0.789 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.852 2.145 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.676 1.476 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.650 0.705 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.232 0.778 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.027 2.731 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.391 3.389 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.564 2.321 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.010 3.948 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.222 4.295 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.132 4.073 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.654 2.802 -4.406 1.00 0.00 H new ATOM 23 N SER A 2 4.153 0.590 -0.180 1.00 0.00 N ATOM 24 CA SER A 2 5.552 0.434 0.182 1.00 0.00 C ATOM 25 C SER A 2 5.687 -0.572 1.327 1.00 0.00 C ATOM 26 O SER A 2 4.720 -0.843 2.037 1.00 0.00 O ATOM 27 CB SER A 2 6.171 1.775 0.578 1.00 0.00 C ATOM 28 OG SER A 2 5.514 2.873 -0.049 1.00 0.00 O ATOM 0 H SER A 2 3.703 1.421 0.204 1.00 0.00 H new ATOM 0 HA SER A 2 6.091 0.059 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.120 1.892 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.227 1.781 0.306 1.00 0.00 H new ATOM 0 HG SER A 2 5.938 3.711 0.231 1.00 0.00 H new ATOM 34 N PRO A 3 6.927 -1.112 1.475 1.00 0.00 N ATOM 35 CA PRO A 3 7.201 -2.081 2.521 1.00 0.00 C ATOM 36 C PRO A 3 7.297 -1.401 3.888 1.00 0.00 C ATOM 37 O PRO A 3 6.817 -1.935 4.887 1.00 0.00 O ATOM 38 CB PRO A 3 8.496 -2.757 2.102 1.00 0.00 C ATOM 39 CG PRO A 3 9.142 -1.827 1.087 1.00 0.00 C ATOM 40 CD PRO A 3 8.096 -0.814 0.652 1.00 0.00 C ATOM 0 HA PRO A 3 6.403 -2.814 2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.150 -2.914 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.302 -3.737 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.003 -1.322 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.506 -2.392 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.443 0.207 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.868 -0.911 -0.410 1.00 0.00 H new ATOM 48 N GLU A 4 7.919 -0.231 3.889 1.00 0.00 N ATOM 49 CA GLU A 4 8.084 0.528 5.117 1.00 0.00 C ATOM 50 C GLU A 4 6.720 0.845 5.732 1.00 0.00 C ATOM 51 O GLU A 4 6.585 0.908 6.953 1.00 0.00 O ATOM 52 CB GLU A 4 8.883 1.809 4.866 1.00 0.00 C ATOM 53 CG GLU A 4 10.187 1.807 5.667 1.00 0.00 C ATOM 54 CD GLU A 4 10.069 2.694 6.909 1.00 0.00 C ATOM 55 OE1 GLU A 4 9.829 3.906 6.719 1.00 0.00 O ATOM 56 OE2 GLU A 4 10.222 2.139 8.018 1.00 0.00 O ATOM 0 H GLU A 4 8.315 0.210 3.059 1.00 0.00 H new ATOM 0 HA GLU A 4 8.647 -0.080 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.105 1.901 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.283 2.676 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.433 0.788 5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.004 2.161 5.039 1.00 0.00 H new ATOM 63 N GLU A 5 5.742 1.037 4.858 1.00 0.00 N ATOM 64 CA GLU A 5 4.393 1.346 5.300 1.00 0.00 C ATOM 65 C GLU A 5 3.784 0.144 6.026 1.00 0.00 C ATOM 66 O GLU A 5 3.024 0.310 6.979 1.00 0.00 O ATOM 67 CB GLU A 5 3.516 1.778 4.124 1.00 0.00 C ATOM 68 CG GLU A 5 3.454 3.303 4.017 1.00 0.00 C ATOM 69 CD GLU A 5 2.005 3.795 4.021 1.00 0.00 C ATOM 70 OE1 GLU A 5 1.326 3.570 2.996 1.00 0.00 O ATOM 71 OE2 GLU A 5 1.609 4.385 5.049 1.00 0.00 O ATOM 0 H GLU A 5 5.858 0.984 3.846 1.00 0.00 H new ATOM 0 HA GLU A 5 4.443 2.181 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.912 1.361 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.510 1.378 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.996 3.752 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.949 3.627 3.102 1.00 0.00 H new ATOM 78 N LEU A 6 4.141 -1.038 5.548 1.00 0.00 N ATOM 79 CA LEU A 6 3.639 -2.267 6.139 1.00 0.00 C ATOM 80 C LEU A 6 4.066 -2.333 7.607 1.00 0.00 C ATOM 81 O LEU A 6 3.277 -2.713 8.470 1.00 0.00 O ATOM 82 CB LEU A 6 4.082 -3.478 5.315 1.00 0.00 C ATOM 83 CG LEU A 6 3.319 -3.716 4.010 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.953 -4.851 3.203 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.834 -3.965 4.280 1.00 0.00 C ATOM 0 H LEU A 6 4.772 -1.171 4.758 1.00 0.00 H new ATOM 0 HA LEU A 6 2.549 -2.280 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.140 -3.364 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.988 -4.369 5.936 1.00 0.00 H new ATOM 0 HG LEU A 6 3.389 -2.812 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.391 -4.999 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.985 -4.594 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.935 -5.769 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.315 -4.131 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.722 -4.844 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.405 -3.098 4.782 1.00 0.00 H new ATOM 97 N LYS A 7 5.314 -1.957 7.844 1.00 0.00 N ATOM 98 CA LYS A 7 5.856 -1.969 9.193 1.00 0.00 C ATOM 99 C LYS A 7 5.153 -0.898 10.029 1.00 0.00 C ATOM 100 O LYS A 7 4.628 -1.189 11.103 1.00 0.00 O ATOM 101 CB LYS A 7 7.378 -1.823 9.160 1.00 0.00 C ATOM 102 CG LYS A 7 8.036 -2.691 10.234 1.00 0.00 C ATOM 103 CD LYS A 7 9.418 -3.169 9.783 1.00 0.00 C ATOM 104 CE LYS A 7 10.327 -3.431 10.985 1.00 0.00 C ATOM 105 NZ LYS A 7 11.634 -2.761 10.803 1.00 0.00 N ATOM 0 H LYS A 7 5.966 -1.642 7.125 1.00 0.00 H new ATOM 0 HA LYS A 7 5.662 -2.928 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.753 -2.108 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.650 -0.779 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.128 -2.123 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.402 -3.551 10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.317 -4.080 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.873 -2.419 9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.850 -3.068 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.476 -4.504 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.239 -2.949 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.095 -3.126 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.488 -1.736 10.708 1.00 0.00 H new ATOM 119 N GLY A 8 5.165 0.319 9.505 1.00 0.00 N ATOM 120 CA GLY A 8 4.535 1.435 10.191 1.00 0.00 C ATOM 121 C GLY A 8 3.063 1.137 10.484 1.00 0.00 C ATOM 122 O GLY A 8 2.638 1.167 11.638 1.00 0.00 O ATOM 0 H GLY A 8 5.601 0.557 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.062 1.637 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.613 2.334 9.579 1.00 0.00 H new ATOM 126 N ILE A 9 2.325 0.858 9.420 1.00 0.00 N ATOM 127 CA ILE A 9 0.910 0.556 9.549 1.00 0.00 C ATOM 128 C ILE A 9 0.725 -0.580 10.557 1.00 0.00 C ATOM 129 O ILE A 9 -0.117 -0.493 11.449 1.00 0.00 O ATOM 130 CB ILE A 9 0.296 0.267 8.177 1.00 0.00 C ATOM 131 CG1 ILE A 9 0.140 1.554 7.364 1.00 0.00 C ATOM 132 CG2 ILE A 9 -1.027 -0.487 8.316 1.00 0.00 C ATOM 133 CD1 ILE A 9 -0.597 1.286 6.051 1.00 0.00 C ATOM 0 H ILE A 9 2.681 0.835 8.464 1.00 0.00 H new ATOM 0 HA ILE A 9 0.370 1.419 9.938 1.00 0.00 H new ATOM 0 HB ILE A 9 0.979 -0.381 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.408 2.294 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.122 1.977 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.442 -0.680 7.327 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.854 -1.434 8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.730 0.114 8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.695 2.217 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.034 0.564 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.588 0.886 6.265 1.00 0.00 H new ATOM 145 N PHE A 10 1.526 -1.621 10.380 1.00 0.00 N ATOM 146 CA PHE A 10 1.462 -2.773 11.263 1.00 0.00 C ATOM 147 C PHE A 10 1.534 -2.344 12.730 1.00 0.00 C ATOM 148 O PHE A 10 0.652 -2.674 13.522 1.00 0.00 O ATOM 149 CB PHE A 10 2.672 -3.652 10.941 1.00 0.00 C ATOM 150 CG PHE A 10 3.124 -4.539 12.103 1.00 0.00 C ATOM 151 CD1 PHE A 10 4.000 -4.058 13.025 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.649 -5.809 12.214 1.00 0.00 C ATOM 153 CE1 PHE A 10 4.420 -4.881 14.103 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.068 -6.632 13.292 1.00 0.00 C ATOM 155 CZ PHE A 10 3.945 -6.150 14.214 1.00 0.00 C ATOM 0 H PHE A 10 2.223 -1.690 9.638 1.00 0.00 H new ATOM 0 HA PHE A 10 0.522 -3.304 11.113 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.431 -4.285 10.087 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.503 -3.013 10.641 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.376 -3.050 12.937 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.953 -6.191 11.482 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.117 -4.499 14.835 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.691 -7.640 13.380 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.264 -6.776 15.034 1.00 0.00 H new ATOM 165 N GLU A 11 2.593 -1.615 13.049 1.00 0.00 N ATOM 166 CA GLU A 11 2.792 -1.138 14.407 1.00 0.00 C ATOM 167 C GLU A 11 1.650 -0.204 14.814 1.00 0.00 C ATOM 168 O GLU A 11 1.205 -0.225 15.960 1.00 0.00 O ATOM 169 CB GLU A 11 4.147 -0.442 14.551 1.00 0.00 C ATOM 170 CG GLU A 11 5.040 -1.182 15.549 1.00 0.00 C ATOM 171 CD GLU A 11 5.995 -0.214 16.252 1.00 0.00 C ATOM 172 OE1 GLU A 11 6.923 0.265 15.566 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.774 0.023 17.459 1.00 0.00 O ATOM 0 H GLU A 11 3.323 -1.343 12.390 1.00 0.00 H new ATOM 0 HA GLU A 11 2.789 -1.998 15.077 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.641 -0.396 13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.999 0.586 14.883 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.422 -1.690 16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.612 -1.951 15.030 1.00 0.00 H new ATOM 180 N LYS A 12 1.210 0.594 13.852 1.00 0.00 N ATOM 181 CA LYS A 12 0.129 1.534 14.096 1.00 0.00 C ATOM 182 C LYS A 12 -1.106 0.770 14.578 1.00 0.00 C ATOM 183 O LYS A 12 -1.918 1.306 15.330 1.00 0.00 O ATOM 184 CB LYS A 12 -0.124 2.393 12.856 1.00 0.00 C ATOM 185 CG LYS A 12 -1.109 3.523 13.163 1.00 0.00 C ATOM 186 CD LYS A 12 -1.298 4.432 11.947 1.00 0.00 C ATOM 187 CE LYS A 12 -1.451 5.893 12.372 1.00 0.00 C ATOM 188 NZ LYS A 12 -0.697 6.781 11.459 1.00 0.00 N ATOM 0 H LYS A 12 1.582 0.609 12.902 1.00 0.00 H new ATOM 0 HA LYS A 12 0.402 2.232 14.888 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.818 2.813 12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.518 1.771 12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.070 3.102 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.744 4.109 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.443 4.332 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.179 4.118 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.505 6.170 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.090 6.020 13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.812 7.769 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.311 6.527 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.060 6.672 10.490 1.00 0.00 H new ATOM 202 N TYR A 13 -1.209 -0.471 14.124 1.00 0.00 N ATOM 203 CA TYR A 13 -2.332 -1.314 14.500 1.00 0.00 C ATOM 204 C TYR A 13 -1.975 -2.202 15.693 1.00 0.00 C ATOM 205 O TYR A 13 -2.805 -2.430 16.572 1.00 0.00 O ATOM 206 CB TYR A 13 -2.617 -2.201 13.286 1.00 0.00 C ATOM 207 CG TYR A 13 -3.565 -1.570 12.264 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.193 -0.423 11.594 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.792 -2.150 12.011 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.085 0.171 10.632 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.684 -1.557 11.049 1.00 0.00 C ATOM 212 CZ TYR A 13 -5.287 -0.426 10.407 1.00 0.00 C ATOM 213 OH TYR A 13 -6.129 0.135 9.498 1.00 0.00 O ATOM 0 H TYR A 13 -0.534 -0.913 13.500 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.191 -0.706 14.785 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.674 -2.439 12.793 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.044 -3.143 13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.232 0.030 11.791 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.083 -3.049 12.535 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.806 1.069 10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.647 -2.000 10.842 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.714 0.938 9.119 1.00 0.00 H new ATOM 223 N ALA A 14 -0.739 -2.681 15.686 1.00 0.00 N ATOM 224 CA ALA A 14 -0.263 -3.539 16.757 1.00 0.00 C ATOM 225 C ALA A 14 -0.199 -2.737 18.058 1.00 0.00 C ATOM 226 O ALA A 14 -0.283 -3.304 19.146 1.00 0.00 O ATOM 227 CB ALA A 14 1.093 -4.133 16.370 1.00 0.00 C ATOM 0 H ALA A 14 -0.053 -2.491 14.955 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.950 -4.370 16.917 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.451 -4.777 17.173 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.987 -4.718 15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.809 -3.328 16.204 1.00 0.00 H new ATOM 233 N ALA A 15 -0.050 -1.429 17.902 1.00 0.00 N ATOM 234 CA ALA A 15 0.027 -0.543 19.051 1.00 0.00 C ATOM 235 C ALA A 15 -1.388 -0.213 19.530 1.00 0.00 C ATOM 236 O ALA A 15 -1.581 0.193 20.675 1.00 0.00 O ATOM 237 CB ALA A 15 0.823 0.709 18.678 1.00 0.00 C ATOM 0 H ALA A 15 0.019 -0.962 16.998 1.00 0.00 H new ATOM 0 HA ALA A 15 0.550 -1.028 19.875 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.881 1.374 19.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.829 0.423 18.372 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.327 1.224 17.855 1.00 0.00 H new ATOM 243 N LYS A 16 -2.342 -0.399 18.630 1.00 0.00 N ATOM 244 CA LYS A 16 -3.734 -0.126 18.946 1.00 0.00 C ATOM 245 C LYS A 16 -4.129 -0.906 20.201 1.00 0.00 C ATOM 246 O LYS A 16 -4.417 -0.313 21.240 1.00 0.00 O ATOM 247 CB LYS A 16 -4.625 -0.415 17.736 1.00 0.00 C ATOM 248 CG LYS A 16 -5.522 0.783 17.418 1.00 0.00 C ATOM 249 CD LYS A 16 -6.635 0.390 16.443 1.00 0.00 C ATOM 250 CE LYS A 16 -7.893 1.227 16.683 1.00 0.00 C ATOM 251 NZ LYS A 16 -8.742 0.599 17.720 1.00 0.00 N ATOM 0 H LYS A 16 -2.178 -0.736 17.681 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.874 0.932 19.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.005 -0.650 16.871 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.241 -1.292 17.934 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.959 1.169 18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.924 1.586 16.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.291 0.529 15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.870 -0.668 16.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.614 2.234 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.455 1.325 15.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.592 1.179 17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.023 -0.353 17.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.208 0.528 18.610 1.00 0.00 H new ATOM 265 N GLU A 17 -4.130 -2.224 20.065 1.00 0.00 N ATOM 266 CA GLU A 17 -4.485 -3.091 21.175 1.00 0.00 C ATOM 267 C GLU A 17 -3.284 -3.945 21.587 1.00 0.00 C ATOM 268 O GLU A 17 -2.657 -4.587 20.746 1.00 0.00 O ATOM 269 CB GLU A 17 -5.687 -3.969 20.822 1.00 0.00 C ATOM 270 CG GLU A 17 -6.993 -3.178 20.924 1.00 0.00 C ATOM 271 CD GLU A 17 -8.038 -3.947 21.735 1.00 0.00 C ATOM 272 OE1 GLU A 17 -8.328 -5.097 21.341 1.00 0.00 O ATOM 273 OE2 GLU A 17 -8.523 -3.367 22.730 1.00 0.00 O ATOM 0 H GLU A 17 -3.890 -2.713 19.202 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.769 -2.466 22.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.572 -4.359 19.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.724 -4.827 21.493 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.802 -2.213 21.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.379 -2.976 19.925 1.00 0.00 H new ATOM 280 N GLY A 18 -3.000 -3.924 22.881 1.00 0.00 N ATOM 281 CA GLY A 18 -1.885 -4.689 23.415 1.00 0.00 C ATOM 282 C GLY A 18 -0.555 -4.179 22.858 1.00 0.00 C ATOM 283 O GLY A 18 -0.528 -3.233 22.072 1.00 0.00 O ATOM 0 H GLY A 18 -3.522 -3.390 23.575 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.879 -4.619 24.503 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.009 -5.743 23.164 1.00 0.00 H new ATOM 287 N ASP A 19 0.517 -4.829 23.287 1.00 0.00 N ATOM 288 CA ASP A 19 1.848 -4.453 22.841 1.00 0.00 C ATOM 289 C ASP A 19 1.913 -4.539 21.315 1.00 0.00 C ATOM 290 O ASP A 19 1.404 -5.488 20.721 1.00 0.00 O ATOM 291 CB ASP A 19 2.908 -5.398 23.413 1.00 0.00 C ATOM 292 CG ASP A 19 4.269 -4.754 23.684 1.00 0.00 C ATOM 293 OD1 ASP A 19 5.007 -4.550 22.696 1.00 0.00 O ATOM 294 OD2 ASP A 19 4.541 -4.480 24.873 1.00 0.00 O ATOM 0 H ASP A 19 0.491 -5.613 23.939 1.00 0.00 H new ATOM 0 HA ASP A 19 2.045 -3.438 23.186 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.531 -5.821 24.344 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.047 -6.227 22.719 1.00 0.00 H new ATOM 299 N PRO A 20 2.561 -3.508 20.708 1.00 0.00 N ATOM 300 CA PRO A 20 2.699 -3.458 19.263 1.00 0.00 C ATOM 301 C PRO A 20 3.756 -4.453 18.778 1.00 0.00 C ATOM 302 O PRO A 20 3.989 -4.580 17.577 1.00 0.00 O ATOM 303 CB PRO A 20 3.056 -2.014 18.952 1.00 0.00 C ATOM 304 CG PRO A 20 3.559 -1.418 20.256 1.00 0.00 C ATOM 305 CD PRO A 20 3.177 -2.368 21.380 1.00 0.00 C ATOM 0 HA PRO A 20 1.787 -3.750 18.743 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.821 -1.959 18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.188 -1.468 18.582 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.640 -1.282 20.222 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.119 -0.435 20.421 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.051 -2.673 21.955 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.484 -1.898 22.078 1.00 0.00 H new ATOM 313 N ASN A 21 4.367 -5.132 19.738 1.00 0.00 N ATOM 314 CA ASN A 21 5.394 -6.111 19.424 1.00 0.00 C ATOM 315 C ASN A 21 4.741 -7.479 19.214 1.00 0.00 C ATOM 316 O ASN A 21 5.426 -8.461 18.932 1.00 0.00 O ATOM 317 CB ASN A 21 6.401 -6.239 20.568 1.00 0.00 C ATOM 318 CG ASN A 21 7.258 -4.977 20.688 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.092 -4.165 21.583 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.182 -4.859 19.738 1.00 0.00 N ATOM 0 H ASN A 21 4.171 -5.024 20.733 1.00 0.00 H new ATOM 0 HA ASN A 21 5.911 -5.780 18.523 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.872 -6.414 21.505 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.042 -7.104 20.398 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.805 -4.052 19.730 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.267 -5.576 19.018 1.00 0.00 H new ATOM 327 N GLN A 22 3.424 -7.499 19.360 1.00 0.00 N ATOM 328 CA GLN A 22 2.671 -8.730 19.190 1.00 0.00 C ATOM 329 C GLN A 22 1.286 -8.430 18.613 1.00 0.00 C ATOM 330 O GLN A 22 0.565 -7.578 19.131 1.00 0.00 O ATOM 331 CB GLN A 22 2.561 -9.493 20.511 1.00 0.00 C ATOM 332 CG GLN A 22 2.261 -8.540 21.671 1.00 0.00 C ATOM 333 CD GLN A 22 3.298 -8.691 22.786 1.00 0.00 C ATOM 334 OE1 GLN A 22 2.993 -9.071 23.905 1.00 0.00 O ATOM 335 NE2 GLN A 22 4.536 -8.373 22.420 1.00 0.00 N ATOM 0 H GLN A 22 2.859 -6.682 19.594 1.00 0.00 H new ATOM 0 HA GLN A 22 3.207 -9.366 18.485 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.773 -10.242 20.438 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.491 -10.027 20.705 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.257 -7.512 21.310 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.265 -8.743 22.065 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.722 -8.062 21.467 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.300 -8.440 23.093 1.00 0.00 H new ATOM 344 N LEU A 23 0.955 -9.146 17.549 1.00 0.00 N ATOM 345 CA LEU A 23 -0.331 -8.967 16.896 1.00 0.00 C ATOM 346 C LEU A 23 -1.354 -9.914 17.526 1.00 0.00 C ATOM 347 O LEU A 23 -0.985 -10.930 18.113 1.00 0.00 O ATOM 348 CB LEU A 23 -0.191 -9.132 15.382 1.00 0.00 C ATOM 349 CG LEU A 23 0.333 -7.913 14.619 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.816 -6.998 14.192 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.387 -7.166 15.439 1.00 0.00 C ATOM 0 H LEU A 23 1.555 -9.852 17.122 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.698 -7.952 17.050 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.477 -9.971 15.188 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.166 -9.399 14.974 1.00 0.00 H new ATOM 0 HG LEU A 23 0.821 -8.262 13.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.416 -6.140 13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.498 -7.549 13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.354 -6.653 15.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.743 -6.304 14.875 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.946 -6.829 16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.223 -7.832 15.650 1.00 0.00 H new ATOM 363 N SER A 24 -2.619 -9.547 17.383 1.00 0.00 N ATOM 364 CA SER A 24 -3.698 -10.351 17.931 1.00 0.00 C ATOM 365 C SER A 24 -4.827 -10.480 16.906 1.00 0.00 C ATOM 366 O SER A 24 -4.828 -9.789 15.888 1.00 0.00 O ATOM 367 CB SER A 24 -4.229 -9.747 19.232 1.00 0.00 C ATOM 368 OG SER A 24 -3.216 -9.651 20.229 1.00 0.00 O ATOM 0 H SER A 24 -2.921 -8.703 16.895 1.00 0.00 H new ATOM 0 HA SER A 24 -3.305 -11.342 18.156 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.636 -8.756 19.032 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.050 -10.358 19.607 1.00 0.00 H new ATOM 0 HG SER A 24 -3.595 -9.259 21.043 1.00 0.00 H new ATOM 374 N LYS A 25 -5.760 -11.370 17.210 1.00 0.00 N ATOM 375 CA LYS A 25 -6.892 -11.599 16.328 1.00 0.00 C ATOM 376 C LYS A 25 -7.645 -10.283 16.120 1.00 0.00 C ATOM 377 O LYS A 25 -7.790 -9.819 14.990 1.00 0.00 O ATOM 378 CB LYS A 25 -7.769 -12.731 16.865 1.00 0.00 C ATOM 379 CG LYS A 25 -8.822 -13.145 15.834 1.00 0.00 C ATOM 380 CD LYS A 25 -9.910 -14.007 16.477 1.00 0.00 C ATOM 381 CE LYS A 25 -11.185 -13.195 16.713 1.00 0.00 C ATOM 382 NZ LYS A 25 -11.654 -13.359 18.107 1.00 0.00 N ATOM 0 H LYS A 25 -5.755 -11.941 18.055 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.550 -11.930 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.147 -13.589 17.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.260 -12.411 17.784 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.272 -12.256 15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.346 -13.698 15.025 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.131 -14.859 15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.549 -14.408 17.424 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.995 -12.141 16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.963 -13.519 16.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.520 -12.801 18.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.855 -14.363 18.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.917 -13.028 18.762 1.00 0.00 H new ATOM 396 N GLU A 26 -8.104 -9.719 17.227 1.00 0.00 N ATOM 397 CA GLU A 26 -8.838 -8.466 17.181 1.00 0.00 C ATOM 398 C GLU A 26 -8.013 -7.394 16.464 1.00 0.00 C ATOM 399 O GLU A 26 -8.534 -6.666 15.621 1.00 0.00 O ATOM 400 CB GLU A 26 -9.230 -8.008 18.587 1.00 0.00 C ATOM 401 CG GLU A 26 -10.746 -7.844 18.707 1.00 0.00 C ATOM 402 CD GLU A 26 -11.142 -6.366 18.677 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.734 -5.688 17.710 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.844 -5.948 19.623 1.00 0.00 O ATOM 0 H GLU A 26 -7.982 -10.107 18.162 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.757 -8.626 16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.880 -8.734 19.321 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.739 -7.062 18.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.238 -8.373 17.891 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.092 -8.298 19.635 1.00 0.00 H new ATOM 411 N GLU A 27 -6.740 -7.332 16.827 1.00 0.00 N ATOM 412 CA GLU A 27 -5.839 -6.362 16.229 1.00 0.00 C ATOM 413 C GLU A 27 -5.754 -6.577 14.717 1.00 0.00 C ATOM 414 O GLU A 27 -5.993 -5.653 13.940 1.00 0.00 O ATOM 415 CB GLU A 27 -4.453 -6.433 16.872 1.00 0.00 C ATOM 416 CG GLU A 27 -4.328 -5.428 18.019 1.00 0.00 C ATOM 417 CD GLU A 27 -2.873 -4.994 18.213 1.00 0.00 C ATOM 418 OE1 GLU A 27 -1.995 -5.872 18.068 1.00 0.00 O ATOM 419 OE2 GLU A 27 -2.673 -3.794 18.500 1.00 0.00 O ATOM 0 H GLU A 27 -6.312 -7.937 17.527 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.238 -5.364 16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.273 -7.441 17.246 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.689 -6.230 16.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.947 -4.555 17.811 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.704 -5.873 18.940 1.00 0.00 H new ATOM 426 N LEU A 28 -5.413 -7.802 14.344 1.00 0.00 N ATOM 427 CA LEU A 28 -5.293 -8.150 12.939 1.00 0.00 C ATOM 428 C LEU A 28 -6.603 -7.818 12.222 1.00 0.00 C ATOM 429 O LEU A 28 -6.593 -7.221 11.146 1.00 0.00 O ATOM 430 CB LEU A 28 -4.860 -9.609 12.783 1.00 0.00 C ATOM 431 CG LEU A 28 -4.069 -9.943 11.517 1.00 0.00 C ATOM 432 CD1 LEU A 28 -3.206 -8.757 11.081 1.00 0.00 C ATOM 433 CD2 LEU A 28 -3.240 -11.215 11.708 1.00 0.00 C ATOM 0 H LEU A 28 -5.216 -8.566 14.991 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.510 -7.557 12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.255 -9.882 13.648 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.751 -10.236 12.807 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.778 -10.138 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.654 -9.021 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.845 -7.898 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.504 -8.507 11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.687 -11.430 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.539 -11.072 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.902 -12.050 11.937 1.00 0.00 H new ATOM 445 N LYS A 29 -7.701 -8.219 12.847 1.00 0.00 N ATOM 446 CA LYS A 29 -9.016 -7.971 12.282 1.00 0.00 C ATOM 447 C LYS A 29 -9.046 -6.572 11.665 1.00 0.00 C ATOM 448 O LYS A 29 -9.365 -6.415 10.487 1.00 0.00 O ATOM 449 CB LYS A 29 -10.103 -8.203 13.334 1.00 0.00 C ATOM 450 CG LYS A 29 -11.495 -7.962 12.746 1.00 0.00 C ATOM 451 CD LYS A 29 -12.587 -8.391 13.729 1.00 0.00 C ATOM 452 CE LYS A 29 -13.933 -7.765 13.359 1.00 0.00 C ATOM 453 NZ LYS A 29 -15.045 -8.539 13.956 1.00 0.00 N ATOM 0 H LYS A 29 -7.706 -8.714 13.739 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.225 -8.678 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.036 -9.223 13.713 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.942 -7.537 14.182 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.613 -6.906 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.601 -8.517 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.675 -9.477 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.309 -8.093 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.970 -6.734 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.042 -7.737 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.952 -8.101 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.018 -9.516 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.948 -8.544 14.991 1.00 0.00 H new ATOM 467 N LEU A 30 -8.710 -5.589 12.487 1.00 0.00 N ATOM 468 CA LEU A 30 -8.694 -4.208 12.037 1.00 0.00 C ATOM 469 C LEU A 30 -7.823 -4.095 10.784 1.00 0.00 C ATOM 470 O LEU A 30 -8.294 -3.661 9.734 1.00 0.00 O ATOM 471 CB LEU A 30 -8.261 -3.279 13.173 1.00 0.00 C ATOM 472 CG LEU A 30 -9.117 -3.324 14.440 1.00 0.00 C ATOM 473 CD1 LEU A 30 -8.866 -2.096 15.316 1.00 0.00 C ATOM 474 CD2 LEU A 30 -10.598 -3.489 14.095 1.00 0.00 C ATOM 0 H LEU A 30 -8.446 -5.722 13.463 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.698 -3.886 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.234 -3.523 13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.257 -2.256 12.797 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.822 -4.198 15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.487 -2.154 16.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.816 -2.064 15.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.116 -1.194 14.758 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.184 -3.518 15.013 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.925 -2.649 13.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.742 -4.418 13.543 1.00 0.00 H new ATOM 486 N LEU A 31 -6.569 -4.492 10.936 1.00 0.00 N ATOM 487 CA LEU A 31 -5.628 -4.441 9.830 1.00 0.00 C ATOM 488 C LEU A 31 -6.256 -5.100 8.601 1.00 0.00 C ATOM 489 O LEU A 31 -6.505 -4.437 7.595 1.00 0.00 O ATOM 490 CB LEU A 31 -4.287 -5.053 10.238 1.00 0.00 C ATOM 491 CG LEU A 31 -3.055 -4.521 9.503 1.00 0.00 C ATOM 492 CD1 LEU A 31 -2.246 -3.580 10.398 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.202 -5.669 8.960 1.00 0.00 C ATOM 0 H LEU A 31 -6.182 -4.851 11.809 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.411 -3.407 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.146 -4.890 11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.340 -6.131 10.084 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.394 -3.938 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.376 -3.216 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.868 -2.735 10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.917 -4.117 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.333 -5.263 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.871 -6.299 9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.793 -6.264 8.264 1.00 0.00 H new ATOM 505 N LEU A 32 -6.495 -6.398 8.722 1.00 0.00 N ATOM 506 CA LEU A 32 -7.089 -7.154 7.633 1.00 0.00 C ATOM 507 C LEU A 32 -8.301 -6.394 7.091 1.00 0.00 C ATOM 508 O LEU A 32 -8.697 -6.587 5.943 1.00 0.00 O ATOM 509 CB LEU A 32 -7.410 -8.581 8.084 1.00 0.00 C ATOM 510 CG LEU A 32 -6.241 -9.380 8.663 1.00 0.00 C ATOM 511 CD1 LEU A 32 -6.740 -10.621 9.407 1.00 0.00 C ATOM 512 CD2 LEU A 32 -5.226 -9.734 7.574 1.00 0.00 C ATOM 0 H LEU A 32 -6.288 -6.945 9.558 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.382 -7.255 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.200 -8.535 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.812 -9.129 7.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.726 -8.753 9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.889 -11.171 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.394 -10.317 10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.293 -11.260 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.405 -10.302 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.712 -10.334 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.837 -8.819 7.128 1.00 0.00 H new ATOM 524 N GLN A 33 -8.856 -5.544 7.943 1.00 0.00 N ATOM 525 CA GLN A 33 -10.015 -4.754 7.565 1.00 0.00 C ATOM 526 C GLN A 33 -9.623 -3.703 6.523 1.00 0.00 C ATOM 527 O GLN A 33 -10.098 -3.741 5.389 1.00 0.00 O ATOM 528 CB GLN A 33 -10.656 -4.099 8.790 1.00 0.00 C ATOM 529 CG GLN A 33 -12.180 -4.225 8.744 1.00 0.00 C ATOM 530 CD GLN A 33 -12.833 -3.383 9.842 1.00 0.00 C ATOM 531 OE1 GLN A 33 -12.810 -2.163 9.821 1.00 0.00 O ATOM 532 NE2 GLN A 33 -13.414 -4.099 10.800 1.00 0.00 N ATOM 0 H GLN A 33 -8.524 -5.385 8.894 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.755 -5.420 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.276 -4.567 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.376 -3.047 8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.546 -3.904 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.466 -5.270 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.397 -5.118 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.877 -3.629 11.578 1.00 0.00 H new ATOM 541 N THR A 34 -8.761 -2.790 6.946 1.00 0.00 N ATOM 542 CA THR A 34 -8.300 -1.732 6.064 1.00 0.00 C ATOM 543 C THR A 34 -7.196 -2.250 5.139 1.00 0.00 C ATOM 544 O THR A 34 -7.256 -2.056 3.926 1.00 0.00 O ATOM 545 CB THR A 34 -7.860 -0.551 6.932 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.935 0.378 6.824 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.662 0.195 6.342 1.00 0.00 C ATOM 0 H THR A 34 -8.370 -2.761 7.888 1.00 0.00 H new ATOM 0 HA THR A 34 -9.099 -1.391 5.405 1.00 0.00 H new ATOM 0 HB THR A 34 -7.609 -0.908 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.734 1.175 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.391 1.023 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.817 -0.488 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.923 0.582 5.357 1.00 0.00 H new ATOM 555 N GLU A 35 -6.215 -2.899 5.748 1.00 0.00 N ATOM 556 CA GLU A 35 -5.100 -3.447 4.994 1.00 0.00 C ATOM 557 C GLU A 35 -5.610 -4.212 3.771 1.00 0.00 C ATOM 558 O GLU A 35 -5.289 -3.861 2.637 1.00 0.00 O ATOM 559 CB GLU A 35 -4.229 -4.343 5.877 1.00 0.00 C ATOM 560 CG GLU A 35 -3.170 -5.070 5.046 1.00 0.00 C ATOM 561 CD GLU A 35 -2.205 -4.076 4.397 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.623 -3.447 3.401 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.071 -3.967 4.912 1.00 0.00 O ATOM 0 H GLU A 35 -6.169 -3.058 6.754 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.480 -2.620 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.743 -3.741 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.855 -5.071 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.614 -5.760 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.655 -5.668 4.275 1.00 0.00 H new ATOM 570 N PHE A 36 -6.397 -5.243 4.044 1.00 0.00 N ATOM 571 CA PHE A 36 -6.955 -6.060 2.980 1.00 0.00 C ATOM 572 C PHE A 36 -8.291 -6.674 3.403 1.00 0.00 C ATOM 573 O PHE A 36 -8.327 -7.779 3.942 1.00 0.00 O ATOM 574 CB PHE A 36 -5.954 -7.184 2.707 1.00 0.00 C ATOM 575 CG PHE A 36 -4.746 -6.753 1.873 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.932 -6.148 0.669 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.486 -6.975 2.335 1.00 0.00 C ATOM 578 CE1 PHE A 36 -3.811 -5.748 -0.106 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.365 -6.575 1.560 1.00 0.00 C ATOM 580 CZ PHE A 36 -2.551 -5.970 0.356 1.00 0.00 C ATOM 0 H PHE A 36 -6.661 -5.531 4.986 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.131 -5.448 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.602 -7.582 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.467 -7.996 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.932 -5.972 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.338 -7.455 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.959 -5.268 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.365 -6.751 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.698 -5.666 -0.233 1.00 0.00 H new ATOM 590 N PRO A 37 -9.384 -5.911 3.136 1.00 0.00 N ATOM 591 CA PRO A 37 -10.719 -6.369 3.483 1.00 0.00 C ATOM 592 C PRO A 37 -11.196 -7.453 2.515 1.00 0.00 C ATOM 593 O PRO A 37 -12.311 -7.958 2.642 1.00 0.00 O ATOM 594 CB PRO A 37 -11.585 -5.120 3.449 1.00 0.00 C ATOM 595 CG PRO A 37 -10.808 -4.097 2.636 1.00 0.00 C ATOM 596 CD PRO A 37 -9.380 -4.598 2.498 1.00 0.00 C ATOM 0 HA PRO A 37 -10.760 -6.839 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.553 -5.328 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.780 -4.752 4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.263 -3.965 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.825 -3.125 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.084 -4.667 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.675 -3.924 2.984 1.00 0.00 H new ATOM 604 N SER A 38 -10.328 -7.780 1.569 1.00 0.00 N ATOM 605 CA SER A 38 -10.647 -8.796 0.579 1.00 0.00 C ATOM 606 C SER A 38 -10.205 -10.172 1.081 1.00 0.00 C ATOM 607 O SER A 38 -10.851 -11.178 0.794 1.00 0.00 O ATOM 608 CB SER A 38 -9.984 -8.483 -0.764 1.00 0.00 C ATOM 609 OG SER A 38 -8.594 -8.206 -0.622 1.00 0.00 O ATOM 0 H SER A 38 -9.404 -7.360 1.467 1.00 0.00 H new ATOM 0 HA SER A 38 -11.727 -8.801 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.118 -9.328 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.479 -7.627 -1.222 1.00 0.00 H new ATOM 0 HG SER A 38 -8.207 -8.013 -1.502 1.00 0.00 H new ATOM 615 N LEU A 39 -9.107 -10.172 1.823 1.00 0.00 N ATOM 616 CA LEU A 39 -8.571 -11.408 2.367 1.00 0.00 C ATOM 617 C LEU A 39 -9.528 -11.948 3.431 1.00 0.00 C ATOM 618 O LEU A 39 -9.503 -13.137 3.748 1.00 0.00 O ATOM 619 CB LEU A 39 -7.144 -11.195 2.875 1.00 0.00 C ATOM 620 CG LEU A 39 -6.049 -11.976 2.146 1.00 0.00 C ATOM 621 CD1 LEU A 39 -6.013 -13.434 2.610 1.00 0.00 C ATOM 622 CD2 LEU A 39 -6.211 -11.861 0.629 1.00 0.00 C ATOM 0 H LEU A 39 -8.574 -9.335 2.060 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.497 -12.167 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.911 -10.132 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.112 -11.463 3.931 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.086 -11.533 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.226 -13.966 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.813 -13.470 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.974 -13.905 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.420 -12.425 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.181 -12.262 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.148 -10.813 0.335 1.00 0.00 H new ATOM 634 N LEU A 40 -10.350 -11.050 3.954 1.00 0.00 N ATOM 635 CA LEU A 40 -11.314 -11.422 4.975 1.00 0.00 C ATOM 636 C LEU A 40 -12.466 -12.193 4.327 1.00 0.00 C ATOM 637 O LEU A 40 -13.090 -13.038 4.967 1.00 0.00 O ATOM 638 CB LEU A 40 -11.764 -10.189 5.761 1.00 0.00 C ATOM 639 CG LEU A 40 -10.700 -9.529 6.641 1.00 0.00 C ATOM 640 CD1 LEU A 40 -11.239 -8.251 7.288 1.00 0.00 C ATOM 641 CD2 LEU A 40 -10.161 -10.514 7.680 1.00 0.00 C ATOM 0 H LEU A 40 -10.368 -10.065 3.689 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.856 -12.088 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.133 -9.447 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.605 -10.473 6.393 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.863 -9.240 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.463 -7.802 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.535 -7.547 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.103 -8.493 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.407 -10.020 8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.978 -10.855 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.714 -11.369 7.173 1.00 0.00 H new ATOM 653 N LYS A 41 -12.714 -11.873 3.065 1.00 0.00 N ATOM 654 CA LYS A 41 -13.780 -12.525 2.324 1.00 0.00 C ATOM 655 C LYS A 41 -13.366 -13.962 2.001 1.00 0.00 C ATOM 656 O LYS A 41 -14.217 -14.836 1.841 1.00 0.00 O ATOM 657 CB LYS A 41 -14.155 -11.701 1.090 1.00 0.00 C ATOM 658 CG LYS A 41 -13.188 -11.971 -0.064 1.00 0.00 C ATOM 659 CD LYS A 41 -13.917 -12.593 -1.257 1.00 0.00 C ATOM 660 CE LYS A 41 -13.616 -11.825 -2.545 1.00 0.00 C ATOM 661 NZ LYS A 41 -14.813 -11.780 -3.414 1.00 0.00 N ATOM 0 H LYS A 41 -12.195 -11.171 2.537 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.685 -12.582 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.172 -11.944 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.142 -10.640 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.712 -11.039 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.395 -12.639 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.614 -13.634 -1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.991 -12.593 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.296 -10.811 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.792 -12.302 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.591 -11.255 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.101 -12.749 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.589 -11.304 -2.911 1.00 0.00 H new ATOM 675 N GLY A 42 -12.059 -14.163 1.916 1.00 0.00 N ATOM 676 CA GLY A 42 -11.522 -15.479 1.615 1.00 0.00 C ATOM 677 C GLY A 42 -12.253 -16.564 2.409 1.00 0.00 C ATOM 678 O GLY A 42 -13.021 -16.260 3.321 1.00 0.00 O ATOM 0 H GLY A 42 -11.356 -13.436 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.616 -15.679 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.458 -15.505 1.852 1.00 0.00 H new ATOM 682 N MET A 43 -11.989 -17.806 2.033 1.00 0.00 N ATOM 683 CA MET A 43 -12.612 -18.938 2.698 1.00 0.00 C ATOM 684 C MET A 43 -11.989 -19.176 4.075 1.00 0.00 C ATOM 685 O MET A 43 -12.434 -20.049 4.819 1.00 0.00 O ATOM 686 CB MET A 43 -12.445 -20.192 1.837 1.00 0.00 C ATOM 687 CG MET A 43 -13.097 -20.007 0.466 1.00 0.00 C ATOM 688 SD MET A 43 -13.875 -21.528 -0.051 1.00 0.00 S ATOM 689 CE MET A 43 -15.496 -20.918 -0.480 1.00 0.00 C ATOM 0 H MET A 43 -11.352 -18.054 1.276 1.00 0.00 H new ATOM 0 HA MET A 43 -13.671 -18.718 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.385 -20.413 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.892 -21.047 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.837 -19.208 0.511 1.00 0.00 H new ATOM 0 HG3 MET A 43 -12.347 -19.706 -0.265 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.116 -21.745 -0.826 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.956 -20.461 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.407 -20.175 -1.272 1.00 0.00 H new ATOM 699 N SER A 44 -10.969 -18.385 4.372 1.00 0.00 N ATOM 700 CA SER A 44 -10.280 -18.499 5.646 1.00 0.00 C ATOM 701 C SER A 44 -10.854 -17.491 6.644 1.00 0.00 C ATOM 702 O SER A 44 -10.487 -16.318 6.627 1.00 0.00 O ATOM 703 CB SER A 44 -8.774 -18.282 5.480 1.00 0.00 C ATOM 704 OG SER A 44 -8.168 -19.316 4.708 1.00 0.00 O ATOM 0 H SER A 44 -10.603 -17.662 3.752 1.00 0.00 H new ATOM 0 HA SER A 44 -10.434 -19.508 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.597 -17.320 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.303 -18.239 6.462 1.00 0.00 H new ATOM 0 HG SER A 44 -7.208 -19.141 4.623 1.00 0.00 H new ATOM 710 N THR A 45 -11.746 -17.986 7.489 1.00 0.00 N ATOM 711 CA THR A 45 -12.375 -17.144 8.492 1.00 0.00 C ATOM 712 C THR A 45 -11.319 -16.545 9.423 1.00 0.00 C ATOM 713 O THR A 45 -10.154 -16.938 9.381 1.00 0.00 O ATOM 714 CB THR A 45 -13.424 -17.983 9.224 1.00 0.00 C ATOM 715 OG1 THR A 45 -12.662 -18.971 9.910 1.00 0.00 O ATOM 716 CG2 THR A 45 -14.302 -18.789 8.264 1.00 0.00 C ATOM 0 H THR A 45 -12.048 -18.960 7.500 1.00 0.00 H new ATOM 0 HA THR A 45 -12.880 -16.294 8.034 1.00 0.00 H new ATOM 0 HB THR A 45 -14.052 -17.330 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.265 -19.558 10.413 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.029 -19.367 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.825 -18.109 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.677 -19.466 7.681 1.00 0.00 H new ATOM 724 N LEU A 46 -11.764 -15.603 10.242 1.00 0.00 N ATOM 725 CA LEU A 46 -10.872 -14.945 11.182 1.00 0.00 C ATOM 726 C LEU A 46 -10.107 -16.004 11.978 1.00 0.00 C ATOM 727 O LEU A 46 -8.880 -16.066 11.916 1.00 0.00 O ATOM 728 CB LEU A 46 -11.648 -13.960 12.057 1.00 0.00 C ATOM 729 CG LEU A 46 -10.855 -12.762 12.583 1.00 0.00 C ATOM 730 CD1 LEU A 46 -9.946 -12.185 11.496 1.00 0.00 C ATOM 731 CD2 LEU A 46 -11.789 -11.702 13.171 1.00 0.00 C ATOM 0 H LEU A 46 -12.731 -15.280 10.274 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.131 -14.348 10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.496 -13.586 11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.055 -14.504 12.910 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.210 -13.108 13.391 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.394 -11.335 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.244 -12.950 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.552 -11.858 10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.200 -10.861 13.538 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.476 -11.355 12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.357 -12.134 13.995 1.00 0.00 H new ATOM 743 N ASP A 47 -10.863 -16.812 12.707 1.00 0.00 N ATOM 744 CA ASP A 47 -10.272 -17.865 13.514 1.00 0.00 C ATOM 745 C ASP A 47 -9.203 -18.591 12.694 1.00 0.00 C ATOM 746 O ASP A 47 -8.062 -18.723 13.133 1.00 0.00 O ATOM 747 CB ASP A 47 -11.324 -18.893 13.936 1.00 0.00 C ATOM 748 CG ASP A 47 -11.737 -18.828 15.408 1.00 0.00 C ATOM 749 OD1 ASP A 47 -10.819 -18.749 16.252 1.00 0.00 O ATOM 750 OD2 ASP A 47 -12.962 -18.860 15.655 1.00 0.00 O ATOM 0 H ASP A 47 -11.880 -16.758 12.755 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.840 -17.406 14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.212 -18.756 13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.940 -19.891 13.726 1.00 0.00 H new ATOM 755 N GLU A 48 -9.612 -19.044 11.518 1.00 0.00 N ATOM 756 CA GLU A 48 -8.704 -19.753 10.633 1.00 0.00 C ATOM 757 C GLU A 48 -7.458 -18.909 10.363 1.00 0.00 C ATOM 758 O GLU A 48 -6.336 -19.403 10.459 1.00 0.00 O ATOM 759 CB GLU A 48 -9.401 -20.136 9.325 1.00 0.00 C ATOM 760 CG GLU A 48 -9.605 -21.649 9.235 1.00 0.00 C ATOM 761 CD GLU A 48 -9.605 -22.117 7.778 1.00 0.00 C ATOM 762 OE1 GLU A 48 -10.357 -21.509 6.987 1.00 0.00 O ATOM 763 OE2 GLU A 48 -8.852 -23.072 7.489 1.00 0.00 O ATOM 0 H GLU A 48 -10.560 -18.934 11.158 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.394 -20.675 11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.365 -19.631 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.806 -19.795 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.814 -22.159 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.549 -21.921 9.708 1.00 0.00 H new ATOM 770 N LEU A 49 -7.696 -17.648 10.031 1.00 0.00 N ATOM 771 CA LEU A 49 -6.606 -16.730 9.746 1.00 0.00 C ATOM 772 C LEU A 49 -5.747 -16.562 11.001 1.00 0.00 C ATOM 773 O LEU A 49 -4.520 -16.598 10.926 1.00 0.00 O ATOM 774 CB LEU A 49 -7.148 -15.412 9.190 1.00 0.00 C ATOM 775 CG LEU A 49 -6.373 -14.811 8.015 1.00 0.00 C ATOM 776 CD1 LEU A 49 -6.948 -15.287 6.679 1.00 0.00 C ATOM 777 CD2 LEU A 49 -6.331 -13.285 8.109 1.00 0.00 C ATOM 0 H LEU A 49 -8.628 -17.241 9.953 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.959 -17.135 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.180 -15.570 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.169 -14.681 9.998 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.343 -15.165 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.380 -14.846 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.883 -16.374 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.991 -14.981 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.774 -12.883 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.347 -12.891 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.841 -12.991 9.037 1.00 0.00 H new ATOM 789 N PHE A 50 -6.425 -16.381 12.124 1.00 0.00 N ATOM 790 CA PHE A 50 -5.739 -16.206 13.393 1.00 0.00 C ATOM 791 C PHE A 50 -4.863 -17.419 13.714 1.00 0.00 C ATOM 792 O PHE A 50 -3.675 -17.274 13.997 1.00 0.00 O ATOM 793 CB PHE A 50 -6.817 -16.072 14.470 1.00 0.00 C ATOM 794 CG PHE A 50 -6.276 -15.687 15.848 1.00 0.00 C ATOM 795 CD1 PHE A 50 -5.388 -14.664 15.969 1.00 0.00 C ATOM 796 CD2 PHE A 50 -6.682 -16.369 16.953 1.00 0.00 C ATOM 797 CE1 PHE A 50 -4.886 -14.307 17.248 1.00 0.00 C ATOM 798 CE2 PHE A 50 -6.179 -16.012 18.232 1.00 0.00 C ATOM 799 CZ PHE A 50 -5.292 -14.989 18.353 1.00 0.00 C ATOM 0 H PHE A 50 -7.443 -16.352 12.182 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.096 -15.327 13.350 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.541 -15.322 14.153 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.353 -17.018 14.553 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.065 -14.123 15.092 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.387 -17.182 16.857 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.182 -13.494 17.344 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.501 -16.553 19.109 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.910 -14.718 19.326 1.00 0.00 H new ATOM 809 N GLU A 51 -5.484 -18.588 13.658 1.00 0.00 N ATOM 810 CA GLU A 51 -4.776 -19.826 13.939 1.00 0.00 C ATOM 811 C GLU A 51 -3.749 -20.111 12.841 1.00 0.00 C ATOM 812 O GLU A 51 -2.637 -20.554 13.126 1.00 0.00 O ATOM 813 CB GLU A 51 -5.752 -20.993 14.094 1.00 0.00 C ATOM 814 CG GLU A 51 -5.985 -21.321 15.570 1.00 0.00 C ATOM 815 CD GLU A 51 -7.110 -22.345 15.733 1.00 0.00 C ATOM 816 OE1 GLU A 51 -8.282 -21.922 15.634 1.00 0.00 O ATOM 817 OE2 GLU A 51 -6.773 -23.529 15.953 1.00 0.00 O ATOM 0 H GLU A 51 -6.470 -18.704 13.422 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.246 -19.712 14.884 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.701 -20.744 13.619 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.359 -21.871 13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.067 -21.711 16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.236 -20.410 16.113 1.00 0.00 H new ATOM 824 N GLU A 52 -4.159 -19.846 11.609 1.00 0.00 N ATOM 825 CA GLU A 52 -3.288 -20.068 10.467 1.00 0.00 C ATOM 826 C GLU A 52 -2.052 -19.172 10.559 1.00 0.00 C ATOM 827 O GLU A 52 -0.923 -19.661 10.540 1.00 0.00 O ATOM 828 CB GLU A 52 -4.038 -19.836 9.154 1.00 0.00 C ATOM 829 CG GLU A 52 -3.152 -20.169 7.951 1.00 0.00 C ATOM 830 CD GLU A 52 -3.857 -19.822 6.638 1.00 0.00 C ATOM 831 OE1 GLU A 52 -4.997 -20.302 6.462 1.00 0.00 O ATOM 832 OE2 GLU A 52 -3.239 -19.083 5.841 1.00 0.00 O ATOM 0 H GLU A 52 -5.082 -19.480 11.377 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.960 -21.107 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.937 -20.453 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.363 -18.797 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.215 -19.617 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.900 -21.229 7.963 1.00 0.00 H new ATOM 839 N LEU A 53 -2.307 -17.875 10.657 1.00 0.00 N ATOM 840 CA LEU A 53 -1.228 -16.906 10.752 1.00 0.00 C ATOM 841 C LEU A 53 -0.310 -17.284 11.916 1.00 0.00 C ATOM 842 O LEU A 53 0.903 -17.399 11.742 1.00 0.00 O ATOM 843 CB LEU A 53 -1.791 -15.486 10.848 1.00 0.00 C ATOM 844 CG LEU A 53 -2.678 -15.036 9.685 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.712 -14.009 10.151 1.00 0.00 C ATOM 846 CD2 LEU A 53 -1.833 -14.511 8.523 1.00 0.00 C ATOM 0 H LEU A 53 -3.244 -17.473 10.673 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.620 -16.923 9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.367 -15.406 11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.956 -14.790 10.932 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.227 -15.903 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.330 -13.705 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.343 -14.452 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.201 -13.137 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.487 -14.198 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.240 -13.661 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.169 -15.300 8.171 1.00 0.00 H new ATOM 858 N ASP A 54 -0.922 -17.466 13.076 1.00 0.00 N ATOM 859 CA ASP A 54 -0.175 -17.829 14.268 1.00 0.00 C ATOM 860 C ASP A 54 0.375 -19.248 14.108 1.00 0.00 C ATOM 861 O ASP A 54 -0.128 -20.185 14.726 1.00 0.00 O ATOM 862 CB ASP A 54 -1.070 -17.805 15.508 1.00 0.00 C ATOM 863 CG ASP A 54 -0.335 -17.593 16.833 1.00 0.00 C ATOM 864 OD1 ASP A 54 0.805 -18.094 16.936 1.00 0.00 O ATOM 865 OD2 ASP A 54 -0.930 -16.934 17.713 1.00 0.00 O ATOM 0 H ASP A 54 -1.928 -17.369 13.216 1.00 0.00 H new ATOM 0 HA ASP A 54 0.632 -17.107 14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.809 -17.012 15.389 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.618 -18.746 15.560 1.00 0.00 H new ATOM 870 N LYS A 55 1.400 -19.361 13.277 1.00 0.00 N ATOM 871 CA LYS A 55 2.024 -20.649 13.028 1.00 0.00 C ATOM 872 C LYS A 55 3.161 -20.863 14.030 1.00 0.00 C ATOM 873 O LYS A 55 3.690 -21.967 14.147 1.00 0.00 O ATOM 874 CB LYS A 55 2.463 -20.759 11.567 1.00 0.00 C ATOM 875 CG LYS A 55 1.677 -21.851 10.839 1.00 0.00 C ATOM 876 CD LYS A 55 2.111 -23.243 11.305 1.00 0.00 C ATOM 877 CE LYS A 55 1.143 -24.316 10.802 1.00 0.00 C ATOM 878 NZ LYS A 55 1.428 -25.615 11.451 1.00 0.00 N ATOM 0 H LYS A 55 1.814 -18.581 12.767 1.00 0.00 H new ATOM 0 HA LYS A 55 1.307 -21.455 13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.313 -19.803 11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.529 -20.980 11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.610 -21.719 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.831 -21.759 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.116 -23.455 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.154 -23.269 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.116 -24.015 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.231 -24.416 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.762 -26.332 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.401 -25.907 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.321 -25.519 12.481 1.00 0.00 H new ATOM 892 N ASN A 56 3.502 -19.789 14.727 1.00 0.00 N ATOM 893 CA ASN A 56 4.566 -19.844 15.714 1.00 0.00 C ATOM 894 C ASN A 56 4.063 -20.576 16.960 1.00 0.00 C ATOM 895 O ASN A 56 4.826 -20.817 17.894 1.00 0.00 O ATOM 896 CB ASN A 56 5.001 -18.439 16.135 1.00 0.00 C ATOM 897 CG ASN A 56 6.032 -17.869 15.158 1.00 0.00 C ATOM 898 OD1 ASN A 56 5.854 -16.812 14.575 1.00 0.00 O ATOM 899 ND2 ASN A 56 7.116 -18.625 15.013 1.00 0.00 N ATOM 0 H ASN A 56 3.060 -18.875 14.627 1.00 0.00 H new ATOM 0 HA ASN A 56 5.413 -20.365 15.267 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.132 -17.782 16.176 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.425 -18.471 17.139 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.862 -18.331 14.383 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.201 -19.499 15.532 1.00 0.00 H new ATOM 906 N GLY A 57 2.781 -20.910 16.933 1.00 0.00 N ATOM 907 CA GLY A 57 2.166 -21.610 18.048 1.00 0.00 C ATOM 908 C GLY A 57 2.490 -20.919 19.374 1.00 0.00 C ATOM 909 O GLY A 57 2.801 -21.581 20.364 1.00 0.00 O ATOM 0 H GLY A 57 2.151 -20.709 16.156 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.086 -21.647 17.908 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.520 -22.641 18.075 1.00 0.00 H new ATOM 913 N ASP A 58 2.408 -19.597 19.352 1.00 0.00 N ATOM 914 CA ASP A 58 2.689 -18.809 20.540 1.00 0.00 C ATOM 915 C ASP A 58 1.385 -18.203 21.065 1.00 0.00 C ATOM 916 O ASP A 58 1.132 -18.215 22.269 1.00 0.00 O ATOM 917 CB ASP A 58 3.650 -17.661 20.226 1.00 0.00 C ATOM 918 CG ASP A 58 3.436 -16.992 18.867 1.00 0.00 C ATOM 919 OD1 ASP A 58 2.262 -16.932 18.443 1.00 0.00 O ATOM 920 OD2 ASP A 58 4.451 -16.556 18.283 1.00 0.00 O ATOM 0 H ASP A 58 2.151 -19.051 18.530 1.00 0.00 H new ATOM 0 HA ASP A 58 3.143 -19.467 21.281 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.556 -16.905 21.005 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.671 -18.039 20.271 1.00 0.00 H new ATOM 925 N GLY A 59 0.593 -17.689 20.136 1.00 0.00 N ATOM 926 CA GLY A 59 -0.678 -17.080 20.490 1.00 0.00 C ATOM 927 C GLY A 59 -0.718 -15.610 20.069 1.00 0.00 C ATOM 928 O GLY A 59 -1.727 -14.932 20.260 1.00 0.00 O ATOM 0 H GLY A 59 0.807 -17.682 19.139 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.492 -17.622 20.008 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.836 -17.158 21.566 1.00 0.00 H new ATOM 932 N GLU A 60 0.393 -15.159 19.504 1.00 0.00 N ATOM 933 CA GLU A 60 0.498 -13.781 19.055 1.00 0.00 C ATOM 934 C GLU A 60 1.166 -13.721 17.679 1.00 0.00 C ATOM 935 O GLU A 60 2.176 -14.384 17.446 1.00 0.00 O ATOM 936 CB GLU A 60 1.260 -12.929 20.072 1.00 0.00 C ATOM 937 CG GLU A 60 0.350 -12.516 21.231 1.00 0.00 C ATOM 938 CD GLU A 60 0.634 -13.357 22.477 1.00 0.00 C ATOM 939 OE1 GLU A 60 1.834 -13.567 22.758 1.00 0.00 O ATOM 940 OE2 GLU A 60 -0.355 -13.769 23.121 1.00 0.00 O ATOM 0 H GLU A 60 1.228 -15.724 19.347 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.508 -13.370 18.968 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.112 -13.490 20.456 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.658 -12.040 19.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.501 -11.461 21.458 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.693 -12.633 20.939 1.00 0.00 H new ATOM 947 N VAL A 61 0.576 -12.921 16.804 1.00 0.00 N ATOM 948 CA VAL A 61 1.101 -12.765 15.459 1.00 0.00 C ATOM 949 C VAL A 61 2.153 -11.655 15.452 1.00 0.00 C ATOM 950 O VAL A 61 2.275 -10.904 16.418 1.00 0.00 O ATOM 951 CB VAL A 61 -0.044 -12.511 14.476 1.00 0.00 C ATOM 952 CG1 VAL A 61 0.493 -12.178 13.083 1.00 0.00 C ATOM 953 CG2 VAL A 61 -0.999 -13.705 14.425 1.00 0.00 C ATOM 0 H VAL A 61 -0.262 -12.373 17.001 1.00 0.00 H new ATOM 0 HA VAL A 61 1.594 -13.681 15.133 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.606 -11.648 14.833 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.341 -12.002 12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.113 -11.283 13.136 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.091 -13.012 12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.803 -13.498 13.719 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.454 -14.593 14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.421 -13.876 15.415 1.00 0.00 H new ATOM 963 N SER A 62 2.887 -11.586 14.351 1.00 0.00 N ATOM 964 CA SER A 62 3.925 -10.580 14.205 1.00 0.00 C ATOM 965 C SER A 62 4.340 -10.464 12.737 1.00 0.00 C ATOM 966 O SER A 62 3.945 -11.285 11.910 1.00 0.00 O ATOM 967 CB SER A 62 5.139 -10.911 15.075 1.00 0.00 C ATOM 968 OG SER A 62 4.915 -12.058 15.890 1.00 0.00 O ATOM 0 H SER A 62 2.783 -12.211 13.551 1.00 0.00 H new ATOM 0 HA SER A 62 3.523 -9.623 14.538 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.006 -11.083 14.437 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.375 -10.056 15.709 1.00 0.00 H new ATOM 0 HG SER A 62 5.714 -12.237 16.429 1.00 0.00 H new ATOM 974 N PHE A 63 5.131 -9.439 12.457 1.00 0.00 N ATOM 975 CA PHE A 63 5.604 -9.206 11.103 1.00 0.00 C ATOM 976 C PHE A 63 6.198 -10.482 10.503 1.00 0.00 C ATOM 977 O PHE A 63 6.244 -10.635 9.283 1.00 0.00 O ATOM 978 CB PHE A 63 6.698 -8.140 11.189 1.00 0.00 C ATOM 979 CG PHE A 63 7.192 -7.645 9.828 1.00 0.00 C ATOM 980 CD1 PHE A 63 6.301 -7.201 8.901 1.00 0.00 C ATOM 981 CD2 PHE A 63 8.522 -7.649 9.545 1.00 0.00 C ATOM 982 CE1 PHE A 63 6.760 -6.742 7.638 1.00 0.00 C ATOM 983 CE2 PHE A 63 8.981 -7.190 8.282 1.00 0.00 C ATOM 984 CZ PHE A 63 8.090 -6.746 7.355 1.00 0.00 C ATOM 0 H PHE A 63 5.457 -8.760 13.145 1.00 0.00 H new ATOM 0 HA PHE A 63 4.776 -8.889 10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.320 -7.291 11.758 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.543 -8.545 11.746 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.245 -7.198 9.126 1.00 0.00 H new ATOM 0 HD2 PHE A 63 9.229 -8.001 10.281 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.053 -6.390 6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 63 10.037 -7.193 8.057 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.439 -6.397 6.394 1.00 0.00 H new ATOM 994 N GLU A 64 6.639 -11.365 11.387 1.00 0.00 N ATOM 995 CA GLU A 64 7.228 -12.622 10.960 1.00 0.00 C ATOM 996 C GLU A 64 6.155 -13.536 10.365 1.00 0.00 C ATOM 997 O GLU A 64 6.269 -13.970 9.219 1.00 0.00 O ATOM 998 CB GLU A 64 7.953 -13.310 12.118 1.00 0.00 C ATOM 999 CG GLU A 64 8.423 -12.287 13.155 1.00 0.00 C ATOM 1000 CD GLU A 64 8.956 -11.023 12.477 1.00 0.00 C ATOM 1001 OE1 GLU A 64 9.623 -11.179 11.432 1.00 0.00 O ATOM 1002 OE2 GLU A 64 8.684 -9.931 13.019 1.00 0.00 O ATOM 0 H GLU A 64 6.600 -11.234 12.398 1.00 0.00 H new ATOM 0 HA GLU A 64 7.967 -12.410 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.288 -14.033 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.809 -13.866 11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.596 -12.028 13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.203 -12.727 13.777 1.00 0.00 H new ATOM 1009 N GLU A 65 5.137 -13.802 11.170 1.00 0.00 N ATOM 1010 CA GLU A 65 4.044 -14.657 10.738 1.00 0.00 C ATOM 1011 C GLU A 65 3.198 -13.943 9.681 1.00 0.00 C ATOM 1012 O GLU A 65 2.586 -14.588 8.832 1.00 0.00 O ATOM 1013 CB GLU A 65 3.185 -15.092 11.927 1.00 0.00 C ATOM 1014 CG GLU A 65 3.999 -15.930 12.914 1.00 0.00 C ATOM 1015 CD GLU A 65 3.161 -16.300 14.140 1.00 0.00 C ATOM 1016 OE1 GLU A 65 2.948 -15.395 14.976 1.00 0.00 O ATOM 1017 OE2 GLU A 65 2.753 -17.479 14.214 1.00 0.00 O ATOM 0 H GLU A 65 5.046 -13.440 12.119 1.00 0.00 H new ATOM 0 HA GLU A 65 4.467 -15.556 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.786 -14.213 12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.332 -15.669 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.351 -16.837 12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.882 -15.373 13.227 1.00 0.00 H new ATOM 1024 N PHE A 66 3.191 -12.621 9.769 1.00 0.00 N ATOM 1025 CA PHE A 66 2.430 -11.813 8.832 1.00 0.00 C ATOM 1026 C PHE A 66 2.906 -12.045 7.396 1.00 0.00 C ATOM 1027 O PHE A 66 2.106 -12.023 6.462 1.00 0.00 O ATOM 1028 CB PHE A 66 2.670 -10.349 9.206 1.00 0.00 C ATOM 1029 CG PHE A 66 1.740 -9.364 8.493 1.00 0.00 C ATOM 1030 CD1 PHE A 66 0.394 -9.551 8.532 1.00 0.00 C ATOM 1031 CD2 PHE A 66 2.261 -8.303 7.821 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -0.469 -8.638 7.871 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.398 -7.389 7.160 1.00 0.00 C ATOM 1034 CZ PHE A 66 0.051 -7.576 7.199 1.00 0.00 C ATOM 0 H PHE A 66 3.700 -12.089 10.475 1.00 0.00 H new ATOM 0 HA PHE A 66 1.374 -12.078 8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.547 -10.235 10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.703 -10.090 8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.019 -10.394 9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.330 -8.155 7.790 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.538 -8.787 7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.811 -6.546 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.605 -6.881 6.696 1.00 0.00 H new ATOM 1044 N GLN A 67 4.207 -12.262 7.265 1.00 0.00 N ATOM 1045 CA GLN A 67 4.799 -12.497 5.959 1.00 0.00 C ATOM 1046 C GLN A 67 4.180 -13.738 5.313 1.00 0.00 C ATOM 1047 O GLN A 67 4.333 -13.958 4.112 1.00 0.00 O ATOM 1048 CB GLN A 67 6.319 -12.633 6.063 1.00 0.00 C ATOM 1049 CG GLN A 67 6.940 -11.379 6.683 1.00 0.00 C ATOM 1050 CD GLN A 67 8.048 -10.817 5.790 1.00 0.00 C ATOM 1051 OE1 GLN A 67 8.473 -11.429 4.824 1.00 0.00 O ATOM 1052 NE2 GLN A 67 8.491 -9.621 6.166 1.00 0.00 N ATOM 0 H GLN A 67 4.867 -12.280 8.042 1.00 0.00 H new ATOM 0 HA GLN A 67 4.587 -11.636 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.569 -13.504 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.741 -12.801 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.169 -10.623 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.346 -11.618 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.091 -9.164 6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.230 -9.161 5.635 1.00 0.00 H new ATOM 1061 N VAL A 68 3.496 -14.517 6.137 1.00 0.00 N ATOM 1062 CA VAL A 68 2.854 -15.731 5.660 1.00 0.00 C ATOM 1063 C VAL A 68 1.603 -15.360 4.861 1.00 0.00 C ATOM 1064 O VAL A 68 1.280 -16.011 3.869 1.00 0.00 O ATOM 1065 CB VAL A 68 2.558 -16.663 6.837 1.00 0.00 C ATOM 1066 CG1 VAL A 68 1.902 -17.959 6.357 1.00 0.00 C ATOM 1067 CG2 VAL A 68 3.828 -16.955 7.638 1.00 0.00 C ATOM 0 H VAL A 68 3.372 -14.332 7.132 1.00 0.00 H new ATOM 0 HA VAL A 68 3.518 -16.277 4.990 1.00 0.00 H new ATOM 0 HB VAL A 68 1.855 -16.156 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.702 -18.604 7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.965 -17.727 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.571 -18.471 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.590 -17.619 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.564 -17.432 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.236 -16.022 8.026 1.00 0.00 H new ATOM 1077 N LEU A 69 0.931 -14.316 5.324 1.00 0.00 N ATOM 1078 CA LEU A 69 -0.277 -13.851 4.665 1.00 0.00 C ATOM 1079 C LEU A 69 0.101 -13.085 3.396 1.00 0.00 C ATOM 1080 O LEU A 69 -0.588 -13.178 2.381 1.00 0.00 O ATOM 1081 CB LEU A 69 -1.140 -13.044 5.636 1.00 0.00 C ATOM 1082 CG LEU A 69 -2.654 -13.170 5.453 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -3.121 -14.602 5.721 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -3.399 -12.153 6.320 1.00 0.00 C ATOM 0 H LEU A 69 1.201 -13.779 6.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.891 -14.697 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.890 -13.349 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.869 -11.992 5.543 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.892 -12.942 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.201 -14.664 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.627 -15.282 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.868 -14.882 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.473 -12.265 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.159 -12.324 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.097 -11.144 6.039 1.00 0.00 H new ATOM 1096 N VAL A 70 1.196 -12.345 3.494 1.00 0.00 N ATOM 1097 CA VAL A 70 1.674 -11.563 2.367 1.00 0.00 C ATOM 1098 C VAL A 70 1.761 -12.460 1.130 1.00 0.00 C ATOM 1099 O VAL A 70 1.723 -11.972 0.002 1.00 0.00 O ATOM 1100 CB VAL A 70 3.007 -10.899 2.718 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.828 -10.617 1.459 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.786 -9.619 3.527 1.00 0.00 C ATOM 0 H VAL A 70 1.766 -12.271 4.337 1.00 0.00 H new ATOM 0 HA VAL A 70 0.976 -10.758 2.137 1.00 0.00 H new ATOM 0 HB VAL A 70 3.574 -11.594 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.770 -10.145 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.031 -11.554 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.269 -9.951 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.749 -9.167 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.190 -8.918 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.261 -9.859 4.452 1.00 0.00 H new ATOM 1112 N LYS A 71 1.875 -13.755 1.385 1.00 0.00 N ATOM 1113 CA LYS A 71 1.967 -14.724 0.306 1.00 0.00 C ATOM 1114 C LYS A 71 0.614 -14.825 -0.400 1.00 0.00 C ATOM 1115 O LYS A 71 0.552 -14.876 -1.628 1.00 0.00 O ATOM 1116 CB LYS A 71 2.488 -16.063 0.832 1.00 0.00 C ATOM 1117 CG LYS A 71 3.485 -16.686 -0.147 1.00 0.00 C ATOM 1118 CD LYS A 71 3.298 -18.203 -0.229 1.00 0.00 C ATOM 1119 CE LYS A 71 2.096 -18.560 -1.106 1.00 0.00 C ATOM 1120 NZ LYS A 71 0.991 -19.094 -0.278 1.00 0.00 N ATOM 0 H LYS A 71 1.906 -14.156 2.322 1.00 0.00 H new ATOM 0 HA LYS A 71 2.692 -14.397 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.967 -15.916 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.653 -16.746 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.353 -16.246 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.503 -16.458 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.199 -18.663 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.156 -18.610 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.758 -17.676 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.389 -19.299 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.365 -19.677 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.383 -19.676 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.448 -18.305 0.128 1.00 0.00 H new ATOM 1134 N LYS A 72 -0.438 -14.850 0.405 1.00 0.00 N ATOM 1135 CA LYS A 72 -1.787 -14.944 -0.127 1.00 0.00 C ATOM 1136 C LYS A 72 -2.145 -13.633 -0.830 1.00 0.00 C ATOM 1137 O LYS A 72 -2.697 -13.645 -1.929 1.00 0.00 O ATOM 1138 CB LYS A 72 -2.771 -15.339 0.975 1.00 0.00 C ATOM 1139 CG LYS A 72 -2.507 -16.766 1.460 1.00 0.00 C ATOM 1140 CD LYS A 72 -2.942 -17.791 0.411 1.00 0.00 C ATOM 1141 CE LYS A 72 -3.471 -19.064 1.075 1.00 0.00 C ATOM 1142 NZ LYS A 72 -2.433 -20.119 1.074 1.00 0.00 N ATOM 0 H LYS A 72 -0.383 -14.807 1.423 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.848 -15.735 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.684 -14.645 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.792 -15.261 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.446 -16.890 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.045 -16.943 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.715 -17.360 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.099 -18.037 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.777 -18.847 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.356 -19.416 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.809 -20.976 1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.161 -20.337 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.599 -19.786 1.599 1.00 0.00 H new ATOM 1156 N ILE A 73 -1.816 -12.534 -0.167 1.00 0.00 N ATOM 1157 CA ILE A 73 -2.097 -11.218 -0.715 1.00 0.00 C ATOM 1158 C ILE A 73 -1.108 -10.919 -1.844 1.00 0.00 C ATOM 1159 O ILE A 73 -1.246 -9.918 -2.546 1.00 0.00 O ATOM 1160 CB ILE A 73 -2.099 -10.165 0.395 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -3.046 -10.565 1.528 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -2.427 -8.779 -0.164 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -2.588 -9.970 2.862 1.00 0.00 C ATOM 0 H ILE A 73 -1.358 -12.528 0.744 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.096 -11.192 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.096 -10.112 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.056 -10.223 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.088 -11.651 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.422 -8.049 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.680 -8.501 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.413 -8.798 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.279 -10.270 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.588 -10.333 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.571 -8.883 2.789 1.00 0.00 H new ATOM 1175 N SER A 74 -0.133 -11.804 -1.983 1.00 0.00 N ATOM 1176 CA SER A 74 0.878 -11.648 -3.015 1.00 0.00 C ATOM 1177 C SER A 74 0.428 -12.346 -4.300 1.00 0.00 C ATOM 1178 O SER A 74 0.562 -11.793 -5.390 1.00 0.00 O ATOM 1179 CB SER A 74 2.227 -12.205 -2.553 1.00 0.00 C ATOM 1180 OG SER A 74 3.012 -11.219 -1.887 1.00 0.00 O ATOM 0 H SER A 74 -0.021 -12.632 -1.398 1.00 0.00 H new ATOM 0 HA SER A 74 1.003 -10.583 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.061 -13.049 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.777 -12.585 -3.414 1.00 0.00 H new ATOM 0 HG SER A 74 2.651 -11.065 -0.989 1.00 0.00 H new ATOM 1186 N GLN A 75 -0.098 -13.550 -4.128 1.00 0.00 N ATOM 1187 CA GLN A 75 -0.570 -14.329 -5.260 1.00 0.00 C ATOM 1188 C GLN A 75 -1.835 -13.699 -5.848 1.00 0.00 C ATOM 1189 O GLN A 75 -1.935 -13.515 -7.060 1.00 0.00 O ATOM 1190 CB GLN A 75 -0.817 -15.784 -4.859 1.00 0.00 C ATOM 1191 CG GLN A 75 -0.223 -16.746 -5.891 1.00 0.00 C ATOM 1192 CD GLN A 75 0.228 -18.050 -5.230 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -0.204 -19.135 -5.581 1.00 0.00 O ATOM 1194 NE2 GLN A 75 1.118 -17.883 -4.256 1.00 0.00 N ATOM 0 H GLN A 75 -0.208 -14.005 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 75 0.204 -14.325 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.375 -15.976 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.888 -15.962 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.964 -16.962 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.625 -16.274 -6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.438 -16.946 -4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.481 -18.692 -3.752 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 3.647 -16.111 17.069 1.00 0.00 LA