USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.807 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.02 K(o=1.8,f=1.3) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 70:sc= 1.34 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -176:sc= -1.07 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 108:sc= 1.31 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.129 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.09 USER MOD Single : A 36 GLN : amide:sc= 2.45 K(o=2.5,f=-7.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 48 ASN : amide:sc= -1.05 K(o=-1.1,f=-6.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.74! K(o=-1.7!,f=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.476 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 171:sc= 0.945 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -95:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 89 THR OG1 : rot 116:sc= -0.188 USER MOD Single : A 90 THR OG1 : rot -23:sc= 0.117 USER MOD Single : A 94 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.056 USER MOD Single : A 103 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.615 4.846 16.370 1.00 0.00 N ATOM 2 CA ALA A 1 -16.964 3.843 15.337 1.00 0.00 C ATOM 3 C ALA A 1 -15.755 2.984 14.997 1.00 0.00 C ATOM 4 O ALA A 1 -14.655 3.502 14.797 1.00 0.00 O ATOM 5 CB ALA A 1 -17.498 4.523 14.082 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.452 5.423 16.590 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.294 4.360 17.231 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.854 5.460 16.015 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.747 3.200 15.740 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.748 3.767 13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.391 5.096 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.738 5.192 13.679 1.00 0.00 H new ATOM 11 N ALA A 2 -15.960 1.676 14.934 1.00 0.00 N ATOM 12 CA ALA A 2 -14.884 0.750 14.615 1.00 0.00 C ATOM 13 C ALA A 2 -15.047 0.196 13.200 1.00 0.00 C ATOM 14 O ALA A 2 -15.943 -0.613 12.938 1.00 0.00 O ATOM 15 CB ALA A 2 -14.842 -0.389 15.627 1.00 0.00 C ATOM 0 H ALA A 2 -16.863 1.232 15.100 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.941 1.295 14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.031 -1.072 15.373 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.675 0.017 16.625 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.789 -0.928 15.608 1.00 0.00 H new ATOM 21 N PRO A 3 -14.193 0.636 12.261 1.00 0.00 N ATOM 22 CA PRO A 3 -14.246 0.175 10.872 1.00 0.00 C ATOM 23 C PRO A 3 -13.669 -1.232 10.714 1.00 0.00 C ATOM 24 O PRO A 3 -12.958 -1.724 11.592 1.00 0.00 O ATOM 25 CB PRO A 3 -13.388 1.201 10.131 1.00 0.00 C ATOM 26 CG PRO A 3 -12.414 1.695 11.147 1.00 0.00 C ATOM 27 CD PRO A 3 -13.111 1.615 12.481 1.00 0.00 C ATOM 0 HA PRO A 3 -15.266 0.106 10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.877 0.748 9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.997 2.016 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.509 1.087 11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.111 2.719 10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.431 1.288 13.268 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.506 2.585 12.784 1.00 0.00 H new ATOM 35 N THR A 4 -13.965 -1.869 9.595 1.00 0.00 N ATOM 36 CA THR A 4 -13.483 -3.215 9.334 1.00 0.00 C ATOM 37 C THR A 4 -12.402 -3.208 8.257 1.00 0.00 C ATOM 38 O THR A 4 -12.683 -2.967 7.083 1.00 0.00 O ATOM 39 CB THR A 4 -14.633 -4.133 8.889 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.875 -3.658 9.428 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.391 -5.561 9.347 1.00 0.00 C ATOM 0 H THR A 4 -14.539 -1.475 8.850 1.00 0.00 H new ATOM 0 HA THR A 4 -13.060 -3.595 10.264 1.00 0.00 H new ATOM 0 HB THR A 4 -14.680 -4.120 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.603 -4.247 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.217 -6.193 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.461 -5.929 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.321 -5.587 10.434 1.00 0.00 H new ATOM 49 N ALA A 5 -11.166 -3.462 8.660 1.00 0.00 N ATOM 50 CA ALA A 5 -10.050 -3.488 7.730 1.00 0.00 C ATOM 51 C ALA A 5 -9.683 -4.924 7.382 1.00 0.00 C ATOM 52 O ALA A 5 -8.800 -5.519 7.998 1.00 0.00 O ATOM 53 CB ALA A 5 -8.852 -2.756 8.318 1.00 0.00 C ATOM 0 H ALA A 5 -10.911 -3.654 9.629 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.348 -2.978 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.024 -2.784 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.122 -1.719 8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.551 -3.239 9.247 1.00 0.00 H new ATOM 59 N THR A 6 -10.382 -5.482 6.406 1.00 0.00 N ATOM 60 CA THR A 6 -10.141 -6.850 5.979 1.00 0.00 C ATOM 61 C THR A 6 -9.086 -6.908 4.873 1.00 0.00 C ATOM 62 O THR A 6 -9.363 -6.601 3.713 1.00 0.00 O ATOM 63 CB THR A 6 -11.445 -7.502 5.487 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.446 -6.491 5.283 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.945 -8.528 6.494 1.00 0.00 C ATOM 0 H THR A 6 -11.124 -5.006 5.893 1.00 0.00 H new ATOM 0 HA THR A 6 -9.768 -7.402 6.842 1.00 0.00 H new ATOM 0 HB THR A 6 -11.246 -8.011 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.203 -5.941 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.868 -8.978 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.191 -9.304 6.627 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.134 -8.038 7.449 1.00 0.00 H new ATOM 73 N VAL A 7 -7.871 -7.281 5.244 1.00 0.00 N ATOM 74 CA VAL A 7 -6.778 -7.381 4.288 1.00 0.00 C ATOM 75 C VAL A 7 -6.253 -8.810 4.216 1.00 0.00 C ATOM 76 O VAL A 7 -6.315 -9.553 5.195 1.00 0.00 O ATOM 77 CB VAL A 7 -5.619 -6.421 4.646 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.052 -4.975 4.462 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.132 -6.654 6.070 1.00 0.00 C ATOM 0 H VAL A 7 -7.616 -7.520 6.202 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.175 -7.094 3.314 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.790 -6.627 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.225 -4.312 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.341 -4.811 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.901 -4.764 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.317 -5.965 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.952 -6.484 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.777 -7.680 6.170 1.00 0.00 H new ATOM 89 N THR A 8 -5.765 -9.197 3.050 1.00 0.00 N ATOM 90 CA THR A 8 -5.224 -10.532 2.858 1.00 0.00 C ATOM 91 C THR A 8 -3.737 -10.461 2.510 1.00 0.00 C ATOM 92 O THR A 8 -3.369 -10.268 1.350 1.00 0.00 O ATOM 93 CB THR A 8 -5.987 -11.289 1.753 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.371 -10.911 1.773 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.866 -12.790 1.955 1.00 0.00 C ATOM 0 H THR A 8 -5.732 -8.605 2.220 1.00 0.00 H new ATOM 0 HA THR A 8 -5.345 -11.078 3.794 1.00 0.00 H new ATOM 0 HB THR A 8 -5.551 -11.028 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.852 -11.393 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.411 -13.308 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.815 -13.078 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.285 -13.062 2.924 1.00 0.00 H new ATOM 103 N PRO A 9 -2.867 -10.585 3.524 1.00 0.00 N ATOM 104 CA PRO A 9 -1.417 -10.532 3.342 1.00 0.00 C ATOM 105 C PRO A 9 -0.872 -11.799 2.694 1.00 0.00 C ATOM 106 O PRO A 9 -1.281 -12.909 3.038 1.00 0.00 O ATOM 107 CB PRO A 9 -0.867 -10.392 4.770 1.00 0.00 C ATOM 108 CG PRO A 9 -2.054 -10.174 5.649 1.00 0.00 C ATOM 109 CD PRO A 9 -3.221 -10.784 4.933 1.00 0.00 C ATOM 0 HA PRO A 9 -1.127 -9.715 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.321 -11.287 5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.171 -9.556 4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.908 -10.640 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.218 -9.111 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.340 -11.840 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.158 -10.290 5.190 1.00 0.00 H new ATOM 117 N SER A 10 0.052 -11.624 1.761 1.00 0.00 N ATOM 118 CA SER A 10 0.664 -12.745 1.060 1.00 0.00 C ATOM 119 C SER A 10 1.871 -13.286 1.832 1.00 0.00 C ATOM 120 O SER A 10 3.005 -13.225 1.361 1.00 0.00 O ATOM 121 CB SER A 10 1.083 -12.301 -0.342 1.00 0.00 C ATOM 122 OG SER A 10 0.029 -11.598 -0.979 1.00 0.00 O ATOM 0 H SER A 10 0.397 -10.709 1.470 1.00 0.00 H new ATOM 0 HA SER A 10 -0.067 -13.550 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.966 -11.665 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.359 -13.171 -0.938 1.00 0.00 H new ATOM 0 HG SER A 10 0.292 -11.376 -1.897 1.00 0.00 H new ATOM 128 N SER A 11 1.620 -13.820 3.017 1.00 0.00 N ATOM 129 CA SER A 11 2.685 -14.360 3.847 1.00 0.00 C ATOM 130 C SER A 11 3.073 -15.763 3.390 1.00 0.00 C ATOM 131 O SER A 11 2.248 -16.678 3.399 1.00 0.00 O ATOM 132 CB SER A 11 2.247 -14.379 5.311 1.00 0.00 C ATOM 133 OG SER A 11 1.870 -13.080 5.744 1.00 0.00 O ATOM 0 H SER A 11 0.688 -13.891 3.426 1.00 0.00 H new ATOM 0 HA SER A 11 3.560 -13.718 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.409 -15.065 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.060 -14.752 5.933 1.00 0.00 H new ATOM 0 HG SER A 11 1.592 -13.116 6.683 1.00 0.00 H new ATOM 139 N GLY A 12 4.323 -15.919 2.969 1.00 0.00 N ATOM 140 CA GLY A 12 4.801 -17.213 2.520 1.00 0.00 C ATOM 141 C GLY A 12 4.704 -17.384 1.020 1.00 0.00 C ATOM 142 O GLY A 12 5.199 -18.366 0.465 1.00 0.00 O ATOM 0 H GLY A 12 5.015 -15.171 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.838 -17.340 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.224 -17.998 3.009 1.00 0.00 H new ATOM 146 N LEU A 13 4.081 -16.425 0.355 1.00 0.00 N ATOM 147 CA LEU A 13 3.923 -16.487 -1.089 1.00 0.00 C ATOM 148 C LEU A 13 5.055 -15.737 -1.779 1.00 0.00 C ATOM 149 O LEU A 13 5.697 -14.878 -1.177 1.00 0.00 O ATOM 150 CB LEU A 13 2.563 -15.913 -1.498 1.00 0.00 C ATOM 151 CG LEU A 13 1.354 -16.637 -0.889 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.064 -15.885 -1.184 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.261 -18.063 -1.412 1.00 0.00 C ATOM 0 H LEU A 13 3.677 -15.596 0.791 1.00 0.00 H new ATOM 0 HA LEU A 13 3.964 -17.530 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.525 -14.863 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.481 -15.947 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 13 1.494 -16.670 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.777 -16.418 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.122 -14.883 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.078 -15.814 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.397 -18.558 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.152 -18.046 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.167 -18.608 -1.147 1.00 0.00 H new ATOM 165 N SER A 14 5.309 -16.084 -3.031 1.00 0.00 N ATOM 166 CA SER A 14 6.366 -15.450 -3.803 1.00 0.00 C ATOM 167 C SER A 14 5.884 -14.129 -4.409 1.00 0.00 C ATOM 168 O SER A 14 4.768 -13.678 -4.138 1.00 0.00 O ATOM 169 CB SER A 14 6.836 -16.398 -4.910 1.00 0.00 C ATOM 170 OG SER A 14 6.997 -17.722 -4.418 1.00 0.00 O ATOM 0 H SER A 14 4.794 -16.805 -3.536 1.00 0.00 H new ATOM 0 HA SER A 14 7.200 -15.232 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.113 -16.396 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.781 -16.042 -5.320 1.00 0.00 H new ATOM 0 HG SER A 14 7.296 -18.307 -5.145 1.00 0.00 H new ATOM 176 N ASP A 15 6.728 -13.508 -5.220 1.00 0.00 N ATOM 177 CA ASP A 15 6.375 -12.249 -5.864 1.00 0.00 C ATOM 178 C ASP A 15 5.411 -12.509 -7.016 1.00 0.00 C ATOM 179 O ASP A 15 5.302 -13.637 -7.499 1.00 0.00 O ATOM 180 CB ASP A 15 7.625 -11.520 -6.368 1.00 0.00 C ATOM 181 CG ASP A 15 8.247 -12.181 -7.582 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.031 -13.141 -7.406 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.967 -11.733 -8.713 1.00 0.00 O ATOM 0 H ASP A 15 7.660 -13.853 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 15 5.888 -11.609 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.364 -10.491 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.362 -11.478 -5.566 1.00 0.00 H new ATOM 188 N GLY A 16 4.710 -11.470 -7.448 1.00 0.00 N ATOM 189 CA GLY A 16 3.749 -11.616 -8.522 1.00 0.00 C ATOM 190 C GLY A 16 2.384 -11.987 -7.986 1.00 0.00 C ATOM 191 O GLY A 16 1.434 -12.183 -8.745 1.00 0.00 O ATOM 0 H GLY A 16 4.790 -10.525 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.682 -10.684 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.090 -12.383 -9.218 1.00 0.00 H new ATOM 195 N THR A 17 2.301 -12.096 -6.669 1.00 0.00 N ATOM 196 CA THR A 17 1.062 -12.439 -5.994 1.00 0.00 C ATOM 197 C THR A 17 0.168 -11.207 -5.869 1.00 0.00 C ATOM 198 O THR A 17 0.658 -10.076 -5.807 1.00 0.00 O ATOM 199 CB THR A 17 1.354 -13.035 -4.599 1.00 0.00 C ATOM 200 OG1 THR A 17 2.270 -14.130 -4.734 1.00 0.00 O ATOM 201 CG2 THR A 17 0.084 -13.528 -3.920 1.00 0.00 C ATOM 0 H THR A 17 3.090 -11.949 -6.040 1.00 0.00 H new ATOM 0 HA THR A 17 0.540 -13.189 -6.588 1.00 0.00 H new ATOM 0 HB THR A 17 1.785 -12.248 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.150 -13.864 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.331 -13.940 -2.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.610 -12.696 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.380 -14.301 -4.533 1.00 0.00 H new ATOM 209 N VAL A 18 -1.137 -11.427 -5.853 1.00 0.00 N ATOM 210 CA VAL A 18 -2.090 -10.336 -5.752 1.00 0.00 C ATOM 211 C VAL A 18 -2.560 -10.146 -4.313 1.00 0.00 C ATOM 212 O VAL A 18 -3.196 -11.025 -3.729 1.00 0.00 O ATOM 213 CB VAL A 18 -3.317 -10.574 -6.657 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.246 -9.372 -6.632 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.885 -10.888 -8.083 1.00 0.00 C ATOM 0 H VAL A 18 -1.560 -12.353 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.574 -9.435 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.861 -11.435 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.104 -9.562 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.590 -9.199 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.712 -8.492 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.767 -11.052 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.312 -10.051 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.267 -11.786 -8.087 1.00 0.00 H new ATOM 225 N VAL A 19 -2.230 -9.000 -3.746 1.00 0.00 N ATOM 226 CA VAL A 19 -2.631 -8.671 -2.389 1.00 0.00 C ATOM 227 C VAL A 19 -3.957 -7.920 -2.423 1.00 0.00 C ATOM 228 O VAL A 19 -4.066 -6.880 -3.077 1.00 0.00 O ATOM 229 CB VAL A 19 -1.574 -7.801 -1.677 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.952 -7.575 -0.219 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.196 -8.433 -1.778 1.00 0.00 C ATOM 0 H VAL A 19 -1.681 -8.276 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.733 -9.603 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.543 -6.833 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.192 -6.959 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.916 -7.069 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.019 -8.535 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.532 -7.802 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.212 -9.418 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.082 -8.534 -2.827 1.00 0.00 H new ATOM 241 N LYS A 20 -4.961 -8.446 -1.741 1.00 0.00 N ATOM 242 CA LYS A 20 -6.271 -7.812 -1.726 1.00 0.00 C ATOM 243 C LYS A 20 -6.504 -7.026 -0.441 1.00 0.00 C ATOM 244 O LYS A 20 -6.259 -7.516 0.667 1.00 0.00 O ATOM 245 CB LYS A 20 -7.377 -8.853 -1.899 1.00 0.00 C ATOM 246 CG LYS A 20 -8.720 -8.252 -2.284 1.00 0.00 C ATOM 247 CD LYS A 20 -9.870 -9.201 -1.981 1.00 0.00 C ATOM 248 CE LYS A 20 -9.832 -10.441 -2.865 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.789 -11.479 -2.398 1.00 0.00 N ATOM 0 H LYS A 20 -4.896 -9.304 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.299 -7.114 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.075 -9.569 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.490 -9.410 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.868 -7.317 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.719 -8.010 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.827 -9.500 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.817 -8.681 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.069 -10.163 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.823 -10.853 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.735 -12.308 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.547 -11.762 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.755 -11.094 -2.416 1.00 0.00 H new ATOM 263 N VAL A 21 -6.972 -5.801 -0.611 1.00 0.00 N ATOM 264 CA VAL A 21 -7.273 -4.923 0.506 1.00 0.00 C ATOM 265 C VAL A 21 -8.729 -4.473 0.423 1.00 0.00 C ATOM 266 O VAL A 21 -9.107 -3.726 -0.481 1.00 0.00 O ATOM 267 CB VAL A 21 -6.336 -3.690 0.521 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.784 -2.658 1.552 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.899 -4.121 0.784 1.00 0.00 C ATOM 0 H VAL A 21 -7.154 -5.388 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.112 -5.476 1.431 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.388 -3.219 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.103 -1.807 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.793 -2.321 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.776 -3.108 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.252 -3.244 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.841 -4.624 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.575 -4.804 -0.001 1.00 0.00 H new ATOM 279 N ALA A 22 -9.548 -4.954 1.349 1.00 0.00 N ATOM 280 CA ALA A 22 -10.963 -4.609 1.369 1.00 0.00 C ATOM 281 C ALA A 22 -11.344 -3.930 2.678 1.00 0.00 C ATOM 282 O ALA A 22 -11.492 -4.582 3.711 1.00 0.00 O ATOM 283 CB ALA A 22 -11.818 -5.851 1.152 1.00 0.00 C ATOM 0 H ALA A 22 -9.257 -5.584 2.096 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.148 -3.908 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.872 -5.575 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.576 -6.295 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.619 -6.573 1.944 1.00 0.00 H new ATOM 289 N GLY A 23 -11.510 -2.620 2.635 1.00 0.00 N ATOM 290 CA GLY A 23 -11.872 -1.885 3.826 1.00 0.00 C ATOM 291 C GLY A 23 -13.342 -1.523 3.850 1.00 0.00 C ATOM 292 O GLY A 23 -13.918 -1.167 2.819 1.00 0.00 O ATOM 0 H GLY A 23 -11.400 -2.051 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.632 -2.482 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.275 -0.975 3.885 1.00 0.00 H new ATOM 296 N ALA A 24 -13.947 -1.627 5.021 1.00 0.00 N ATOM 297 CA ALA A 24 -15.351 -1.302 5.196 1.00 0.00 C ATOM 298 C ALA A 24 -15.512 -0.322 6.347 1.00 0.00 C ATOM 299 O ALA A 24 -14.889 -0.485 7.396 1.00 0.00 O ATOM 300 CB ALA A 24 -16.162 -2.563 5.448 1.00 0.00 C ATOM 0 H ALA A 24 -13.481 -1.938 5.873 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.724 -0.837 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.212 -2.301 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.058 -3.238 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.798 -3.056 6.350 1.00 0.00 H new ATOM 306 N GLY A 25 -16.338 0.691 6.149 1.00 0.00 N ATOM 307 CA GLY A 25 -16.541 1.689 7.178 1.00 0.00 C ATOM 308 C GLY A 25 -15.604 2.860 6.987 1.00 0.00 C ATOM 309 O GLY A 25 -15.176 3.494 7.948 1.00 0.00 O ATOM 0 H GLY A 25 -16.873 0.841 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.574 2.037 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.377 1.244 8.159 1.00 0.00 H new ATOM 313 N LEU A 26 -15.283 3.128 5.732 1.00 0.00 N ATOM 314 CA LEU A 26 -14.387 4.214 5.373 1.00 0.00 C ATOM 315 C LEU A 26 -15.182 5.473 5.057 1.00 0.00 C ATOM 316 O LEU A 26 -16.402 5.504 5.226 1.00 0.00 O ATOM 317 CB LEU A 26 -13.548 3.807 4.156 1.00 0.00 C ATOM 318 CG LEU A 26 -12.835 2.458 4.271 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.231 2.060 2.934 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.760 2.511 5.348 1.00 0.00 C ATOM 0 H LEU A 26 -15.636 2.599 4.934 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.727 4.421 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.197 3.782 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.800 4.580 3.977 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.569 1.704 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.728 1.098 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.021 1.980 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.511 2.816 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.264 1.543 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.027 3.277 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.218 2.751 6.308 1.00 0.00 H new ATOM 332 N GLN A 27 -14.494 6.504 4.593 1.00 0.00 N ATOM 333 CA GLN A 27 -15.141 7.756 4.247 1.00 0.00 C ATOM 334 C GLN A 27 -15.668 7.695 2.818 1.00 0.00 C ATOM 335 O GLN A 27 -14.897 7.782 1.861 1.00 0.00 O ATOM 336 CB GLN A 27 -14.167 8.922 4.402 1.00 0.00 C ATOM 337 CG GLN A 27 -14.848 10.281 4.469 1.00 0.00 C ATOM 338 CD GLN A 27 -15.574 10.508 5.784 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.165 10.002 6.832 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.650 11.271 5.743 1.00 0.00 N ATOM 0 H GLN A 27 -13.484 6.497 4.448 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.979 7.914 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.579 8.775 5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.470 8.916 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.102 11.064 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.558 10.368 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.957 11.672 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.174 11.460 6.597 1.00 0.00 H new ATOM 349 N ALA A 28 -16.979 7.531 2.691 1.00 0.00 N ATOM 350 CA ALA A 28 -17.636 7.439 1.392 1.00 0.00 C ATOM 351 C ALA A 28 -17.370 8.674 0.538 1.00 0.00 C ATOM 352 O ALA A 28 -17.854 9.766 0.839 1.00 0.00 O ATOM 353 CB ALA A 28 -19.133 7.236 1.581 1.00 0.00 C ATOM 0 H ALA A 28 -17.616 7.458 3.484 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.220 6.581 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.617 7.168 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.308 6.315 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.548 8.079 2.134 1.00 0.00 H new ATOM 359 N GLY A 29 -16.595 8.499 -0.524 1.00 0.00 N ATOM 360 CA GLY A 29 -16.290 9.610 -1.401 1.00 0.00 C ATOM 361 C GLY A 29 -14.812 9.946 -1.437 1.00 0.00 C ATOM 362 O GLY A 29 -14.377 10.779 -2.234 1.00 0.00 O ATOM 0 H GLY A 29 -16.174 7.610 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.628 9.373 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.849 10.487 -1.075 1.00 0.00 H new ATOM 366 N THR A 30 -14.040 9.311 -0.569 1.00 0.00 N ATOM 367 CA THR A 30 -12.605 9.551 -0.511 1.00 0.00 C ATOM 368 C THR A 30 -11.838 8.467 -1.267 1.00 0.00 C ATOM 369 O THR A 30 -12.235 7.300 -1.278 1.00 0.00 O ATOM 370 CB THR A 30 -12.115 9.596 0.950 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.968 10.453 1.721 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.681 10.106 1.034 1.00 0.00 C ATOM 0 H THR A 30 -14.382 8.626 0.105 1.00 0.00 H new ATOM 0 HA THR A 30 -12.416 10.515 -0.982 1.00 0.00 H new ATOM 0 HB THR A 30 -12.147 8.582 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.500 10.734 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.363 10.127 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.026 9.444 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.628 11.112 0.618 1.00 0.00 H new ATOM 380 N ALA A 31 -10.750 8.866 -1.913 1.00 0.00 N ATOM 381 CA ALA A 31 -9.910 7.940 -2.650 1.00 0.00 C ATOM 382 C ALA A 31 -8.807 7.419 -1.740 1.00 0.00 C ATOM 383 O ALA A 31 -8.087 8.201 -1.113 1.00 0.00 O ATOM 384 CB ALA A 31 -9.320 8.610 -3.883 1.00 0.00 C ATOM 0 H ALA A 31 -10.429 9.834 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.518 7.101 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.694 7.897 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.126 8.948 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.717 9.465 -3.579 1.00 0.00 H new ATOM 390 N TYR A 32 -8.692 6.108 -1.648 1.00 0.00 N ATOM 391 CA TYR A 32 -7.684 5.494 -0.801 1.00 0.00 C ATOM 392 C TYR A 32 -6.536 4.952 -1.638 1.00 0.00 C ATOM 393 O TYR A 32 -6.736 4.149 -2.551 1.00 0.00 O ATOM 394 CB TYR A 32 -8.309 4.388 0.055 1.00 0.00 C ATOM 395 CG TYR A 32 -9.219 4.925 1.141 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.504 5.365 0.844 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.788 5.004 2.461 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.335 5.865 1.829 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.612 5.505 3.452 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.883 5.934 3.130 1.00 0.00 C ATOM 401 OH TYR A 32 -11.708 6.438 4.114 1.00 0.00 O ATOM 0 H TYR A 32 -9.284 5.446 -2.149 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.281 6.256 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.877 3.715 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.515 3.797 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.859 5.315 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.794 4.669 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.332 6.199 1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.263 5.560 4.472 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.241 6.417 4.975 1.00 0.00 H new ATOM 411 N ASP A 33 -5.334 5.405 -1.319 1.00 0.00 N ATOM 412 CA ASP A 33 -4.137 4.994 -2.036 1.00 0.00 C ATOM 413 C ASP A 33 -3.508 3.788 -1.357 1.00 0.00 C ATOM 414 O ASP A 33 -3.227 3.815 -0.156 1.00 0.00 O ATOM 415 CB ASP A 33 -3.133 6.143 -2.088 1.00 0.00 C ATOM 416 CG ASP A 33 -2.564 6.345 -3.476 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.656 5.588 -3.870 1.00 0.00 O ATOM 418 OD2 ASP A 33 -3.024 7.272 -4.178 1.00 0.00 O ATOM 0 H ASP A 33 -5.161 6.064 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.416 4.722 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.618 7.062 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.320 5.944 -1.390 1.00 0.00 H new ATOM 423 N VAL A 34 -3.306 2.725 -2.124 1.00 0.00 N ATOM 424 CA VAL A 34 -2.719 1.505 -1.594 1.00 0.00 C ATOM 425 C VAL A 34 -1.622 0.996 -2.521 1.00 0.00 C ATOM 426 O VAL A 34 -1.855 0.799 -3.717 1.00 0.00 O ATOM 427 CB VAL A 34 -3.771 0.385 -1.409 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.182 -0.767 -0.605 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.044 0.918 -0.751 1.00 0.00 C ATOM 0 H VAL A 34 -3.541 2.684 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.303 1.755 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.046 0.013 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.933 -1.547 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.319 -1.174 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.872 -0.405 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.762 0.106 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.802 1.330 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.477 1.699 -1.376 1.00 0.00 H new ATOM 439 N GLY A 35 -0.425 0.811 -1.981 1.00 0.00 N ATOM 440 CA GLY A 35 0.673 0.307 -2.778 1.00 0.00 C ATOM 441 C GLY A 35 1.642 -0.519 -1.958 1.00 0.00 C ATOM 442 O GLY A 35 1.473 -0.662 -0.744 1.00 0.00 O ATOM 0 H GLY A 35 -0.196 1.001 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.279 -0.300 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.205 1.143 -3.232 1.00 0.00 H new ATOM 446 N GLN A 36 2.644 -1.079 -2.620 1.00 0.00 N ATOM 447 CA GLN A 36 3.655 -1.878 -1.946 1.00 0.00 C ATOM 448 C GLN A 36 4.736 -0.952 -1.419 1.00 0.00 C ATOM 449 O GLN A 36 5.427 -0.293 -2.194 1.00 0.00 O ATOM 450 CB GLN A 36 4.256 -2.906 -2.904 1.00 0.00 C ATOM 451 CG GLN A 36 5.382 -3.726 -2.299 1.00 0.00 C ATOM 452 CD GLN A 36 6.073 -4.593 -3.329 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.490 -4.940 -4.351 1.00 0.00 O ATOM 454 NE2 GLN A 36 7.317 -4.951 -3.068 1.00 0.00 N ATOM 0 H GLN A 36 2.778 -0.994 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 36 3.198 -2.420 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.468 -3.580 -3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.630 -2.389 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.111 -3.057 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.984 -4.356 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.767 -4.641 -2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.828 -5.537 -3.728 1.00 0.00 H new ATOM 463 N CYS A 37 4.871 -0.890 -0.109 1.00 0.00 N ATOM 464 CA CYS A 37 5.848 -0.010 0.499 1.00 0.00 C ATOM 465 C CYS A 37 6.840 -0.775 1.366 1.00 0.00 C ATOM 466 O CYS A 37 6.614 -1.930 1.722 1.00 0.00 O ATOM 467 CB CYS A 37 5.128 1.044 1.332 1.00 0.00 C ATOM 468 SG CYS A 37 3.434 1.408 0.758 1.00 0.00 S ATOM 0 H CYS A 37 4.319 -1.436 0.552 1.00 0.00 H new ATOM 0 HA CYS A 37 6.416 0.469 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.086 0.708 2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.711 1.965 1.319 1.00 0.00 H new ATOM 473 N ALA A 38 7.947 -0.119 1.679 1.00 0.00 N ATOM 474 CA ALA A 38 8.988 -0.693 2.513 1.00 0.00 C ATOM 475 C ALA A 38 9.888 0.417 3.022 1.00 0.00 C ATOM 476 O ALA A 38 9.734 1.572 2.613 1.00 0.00 O ATOM 477 CB ALA A 38 9.795 -1.729 1.739 1.00 0.00 C ATOM 0 H ALA A 38 8.148 0.829 1.360 1.00 0.00 H new ATOM 0 HA ALA A 38 8.527 -1.201 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.568 -2.144 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.134 -2.528 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.260 -1.256 0.874 1.00 0.00 H new ATOM 483 N TRP A 39 10.806 0.084 3.915 1.00 0.00 N ATOM 484 CA TRP A 39 11.725 1.068 4.460 1.00 0.00 C ATOM 485 C TRP A 39 12.662 1.568 3.371 1.00 0.00 C ATOM 486 O TRP A 39 13.435 0.798 2.803 1.00 0.00 O ATOM 487 CB TRP A 39 12.530 0.474 5.615 1.00 0.00 C ATOM 488 CG TRP A 39 12.103 0.987 6.958 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.830 1.049 7.446 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.952 1.506 7.987 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.837 1.580 8.713 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.126 1.866 9.068 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.332 1.700 8.102 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.633 2.405 10.245 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.833 2.240 9.271 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.985 2.586 10.329 1.00 0.00 C ATOM 0 H TRP A 39 10.934 -0.861 4.277 1.00 0.00 H new ATOM 0 HA TRP A 39 11.144 1.908 4.842 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.430 -0.611 5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.586 0.699 5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.947 0.728 6.914 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.014 1.736 9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.994 1.433 7.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.981 2.671 11.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.897 2.398 9.370 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.408 3.005 11.230 1.00 0.00 H new ATOM 507 N VAL A 40 12.578 2.853 3.070 1.00 0.00 N ATOM 508 CA VAL A 40 13.416 3.445 2.042 1.00 0.00 C ATOM 509 C VAL A 40 14.579 4.214 2.671 1.00 0.00 C ATOM 510 O VAL A 40 15.632 4.391 2.050 1.00 0.00 O ATOM 511 CB VAL A 40 12.598 4.367 1.103 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.222 5.674 1.788 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.357 4.627 -0.191 1.00 0.00 C ATOM 0 H VAL A 40 11.938 3.506 3.523 1.00 0.00 H new ATOM 0 HA VAL A 40 13.821 2.633 1.438 1.00 0.00 H new ATOM 0 HB VAL A 40 11.670 3.850 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.649 6.294 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.620 5.462 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.128 6.203 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.765 5.276 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.308 5.110 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.542 3.681 -0.700 1.00 0.00 H new ATOM 523 N ASP A 41 14.391 4.649 3.913 1.00 0.00 N ATOM 524 CA ASP A 41 15.420 5.389 4.634 1.00 0.00 C ATOM 525 C ASP A 41 15.173 5.315 6.137 1.00 0.00 C ATOM 526 O ASP A 41 14.272 4.604 6.586 1.00 0.00 O ATOM 527 CB ASP A 41 15.456 6.848 4.177 1.00 0.00 C ATOM 528 CG ASP A 41 16.867 7.402 4.133 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.531 7.429 5.188 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.320 7.816 3.041 1.00 0.00 O ATOM 0 H ASP A 41 13.532 4.501 4.443 1.00 0.00 H new ATOM 0 HA ASP A 41 16.386 4.934 4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.006 6.928 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.851 7.453 4.852 1.00 0.00 H new ATOM 535 N THR A 42 15.956 6.068 6.901 1.00 0.00 N ATOM 536 CA THR A 42 15.853 6.093 8.355 1.00 0.00 C ATOM 537 C THR A 42 14.491 6.609 8.825 1.00 0.00 C ATOM 538 O THR A 42 14.272 7.818 8.935 1.00 0.00 O ATOM 539 CB THR A 42 16.959 6.977 8.955 1.00 0.00 C ATOM 540 OG1 THR A 42 18.141 6.891 8.146 1.00 0.00 O ATOM 541 CG2 THR A 42 17.279 6.553 10.380 1.00 0.00 C ATOM 0 H THR A 42 16.682 6.680 6.528 1.00 0.00 H new ATOM 0 HA THR A 42 15.968 5.065 8.700 1.00 0.00 H new ATOM 0 HB THR A 42 16.604 8.007 8.974 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.843 7.457 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.064 7.193 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.385 6.644 10.996 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.618 5.517 10.384 1.00 0.00 H new ATOM 549 N GLY A 43 13.574 5.682 9.081 1.00 0.00 N ATOM 550 CA GLY A 43 12.249 6.045 9.547 1.00 0.00 C ATOM 551 C GLY A 43 11.347 6.492 8.420 1.00 0.00 C ATOM 552 O GLY A 43 10.248 6.994 8.654 1.00 0.00 O ATOM 0 H GLY A 43 13.727 4.679 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.798 5.192 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.332 6.845 10.282 1.00 0.00 H new ATOM 556 N VAL A 44 11.806 6.313 7.192 1.00 0.00 N ATOM 557 CA VAL A 44 11.033 6.716 6.031 1.00 0.00 C ATOM 558 C VAL A 44 10.680 5.507 5.180 1.00 0.00 C ATOM 559 O VAL A 44 11.526 4.651 4.917 1.00 0.00 O ATOM 560 CB VAL A 44 11.792 7.738 5.155 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.840 8.419 4.181 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.506 8.765 6.020 1.00 0.00 C ATOM 0 H VAL A 44 12.709 5.892 6.975 1.00 0.00 H new ATOM 0 HA VAL A 44 10.125 7.188 6.406 1.00 0.00 H new ATOM 0 HB VAL A 44 12.545 7.201 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.393 9.135 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.384 7.670 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.061 8.940 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.034 9.474 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.776 9.298 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.221 8.260 6.669 1.00 0.00 H new ATOM 572 N LEU A 45 9.430 5.432 4.768 1.00 0.00 N ATOM 573 CA LEU A 45 8.962 4.340 3.937 1.00 0.00 C ATOM 574 C LEU A 45 8.503 4.899 2.602 1.00 0.00 C ATOM 575 O LEU A 45 8.269 6.098 2.488 1.00 0.00 O ATOM 576 CB LEU A 45 7.822 3.583 4.623 1.00 0.00 C ATOM 577 CG LEU A 45 8.169 2.982 5.988 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.842 3.958 7.107 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.435 1.665 6.200 1.00 0.00 C ATOM 0 H LEU A 45 8.714 6.121 4.998 1.00 0.00 H new ATOM 0 HA LEU A 45 9.777 3.634 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.978 4.262 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.491 2.780 3.964 1.00 0.00 H new ATOM 0 HG LEU A 45 9.241 2.785 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.097 3.509 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.417 4.874 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.777 4.191 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.696 1.256 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.360 1.836 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.723 0.959 5.421 1.00 0.00 H new ATOM 591 N ALA A 46 8.396 4.049 1.595 1.00 0.00 N ATOM 592 CA ALA A 46 7.966 4.493 0.279 1.00 0.00 C ATOM 593 C ALA A 46 7.256 3.368 -0.463 1.00 0.00 C ATOM 594 O ALA A 46 7.604 2.203 -0.290 1.00 0.00 O ATOM 595 CB ALA A 46 9.161 4.988 -0.511 1.00 0.00 C ATOM 0 H ALA A 46 8.600 3.052 1.662 1.00 0.00 H new ATOM 0 HA ALA A 46 7.259 5.314 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.834 5.320 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.626 5.821 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.884 4.180 -0.622 1.00 0.00 H new ATOM 601 N CYS A 47 6.273 3.718 -1.289 1.00 0.00 N ATOM 602 CA CYS A 47 5.505 2.722 -2.038 1.00 0.00 C ATOM 603 C CYS A 47 5.800 2.803 -3.528 1.00 0.00 C ATOM 604 O CYS A 47 6.314 3.810 -4.009 1.00 0.00 O ATOM 605 CB CYS A 47 4.010 2.931 -1.809 1.00 0.00 C ATOM 606 SG CYS A 47 3.563 3.252 -0.075 1.00 0.00 S ATOM 0 H CYS A 47 5.988 4.683 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 47 5.800 1.736 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.673 3.768 -2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.473 2.047 -2.154 1.00 0.00 H new ATOM 611 N ASN A 48 5.462 1.742 -4.253 1.00 0.00 N ATOM 612 CA ASN A 48 5.687 1.701 -5.692 1.00 0.00 C ATOM 613 C ASN A 48 4.500 2.300 -6.451 1.00 0.00 C ATOM 614 O ASN A 48 3.359 1.875 -6.289 1.00 0.00 O ATOM 615 CB ASN A 48 5.973 0.265 -6.171 1.00 0.00 C ATOM 616 CG ASN A 48 4.787 -0.684 -6.084 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.930 -0.570 -5.205 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.742 -1.646 -6.995 1.00 0.00 N ATOM 0 H ASN A 48 5.032 0.901 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 48 6.567 2.307 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.315 0.303 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.792 -0.144 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.980 -2.324 -6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.470 -1.708 -7.707 1.00 0.00 H new ATOM 625 N PRO A 49 4.757 3.314 -7.287 1.00 0.00 N ATOM 626 CA PRO A 49 3.715 3.975 -8.074 1.00 0.00 C ATOM 627 C PRO A 49 3.410 3.230 -9.371 1.00 0.00 C ATOM 628 O PRO A 49 2.609 3.683 -10.191 1.00 0.00 O ATOM 629 CB PRO A 49 4.342 5.333 -8.373 1.00 0.00 C ATOM 630 CG PRO A 49 5.803 5.046 -8.482 1.00 0.00 C ATOM 631 CD PRO A 49 6.086 3.915 -7.523 1.00 0.00 C ATOM 0 HA PRO A 49 2.761 4.026 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.950 5.758 -9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.135 6.051 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.069 4.767 -9.501 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.392 5.927 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.782 3.193 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.532 4.278 -6.597 1.00 0.00 H new ATOM 639 N ALA A 50 4.048 2.080 -9.546 1.00 0.00 N ATOM 640 CA ALA A 50 3.862 1.275 -10.739 1.00 0.00 C ATOM 641 C ALA A 50 2.634 0.377 -10.626 1.00 0.00 C ATOM 642 O ALA A 50 1.714 0.462 -11.438 1.00 0.00 O ATOM 643 CB ALA A 50 5.105 0.440 -11.005 1.00 0.00 C ATOM 0 H ALA A 50 4.702 1.685 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 50 3.699 1.952 -11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.955 -0.160 -11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.962 1.098 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.290 -0.217 -10.156 1.00 0.00 H new ATOM 649 N ASP A 51 2.613 -0.468 -9.602 1.00 0.00 N ATOM 650 CA ASP A 51 1.505 -1.401 -9.403 1.00 0.00 C ATOM 651 C ASP A 51 0.526 -0.906 -8.345 1.00 0.00 C ATOM 652 O ASP A 51 -0.226 -1.697 -7.771 1.00 0.00 O ATOM 653 CB ASP A 51 2.028 -2.781 -9.002 1.00 0.00 C ATOM 654 CG ASP A 51 2.740 -3.490 -10.134 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.063 -3.976 -11.065 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.985 -3.566 -10.104 1.00 0.00 O ATOM 0 H ASP A 51 3.348 -0.528 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 51 0.975 -1.471 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.711 -2.675 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.195 -3.396 -8.662 1.00 0.00 H new ATOM 661 N PHE A 52 0.530 0.391 -8.087 1.00 0.00 N ATOM 662 CA PHE A 52 -0.379 0.960 -7.103 1.00 0.00 C ATOM 663 C PHE A 52 -1.766 1.110 -7.722 1.00 0.00 C ATOM 664 O PHE A 52 -1.897 1.304 -8.933 1.00 0.00 O ATOM 665 CB PHE A 52 0.149 2.310 -6.580 1.00 0.00 C ATOM 666 CG PHE A 52 -0.509 3.522 -7.183 1.00 0.00 C ATOM 667 CD1 PHE A 52 -1.640 4.076 -6.600 1.00 0.00 C ATOM 668 CD2 PHE A 52 0.001 4.109 -8.330 1.00 0.00 C ATOM 669 CE1 PHE A 52 -2.250 5.184 -7.150 1.00 0.00 C ATOM 670 CE2 PHE A 52 -0.605 5.220 -8.884 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.733 5.757 -8.293 1.00 0.00 C ATOM 0 H PHE A 52 1.146 1.066 -8.540 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.446 0.288 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.016 2.342 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.221 2.363 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.048 3.633 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.882 3.693 -8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.131 5.602 -6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.198 5.668 -9.778 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.209 6.624 -8.726 1.00 0.00 H new ATOM 681 N SER A 53 -2.797 0.999 -6.905 1.00 0.00 N ATOM 682 CA SER A 53 -4.159 1.127 -7.388 1.00 0.00 C ATOM 683 C SER A 53 -5.037 1.789 -6.334 1.00 0.00 C ATOM 684 O SER A 53 -5.516 1.134 -5.404 1.00 0.00 O ATOM 685 CB SER A 53 -4.718 -0.247 -7.768 1.00 0.00 C ATOM 686 OG SER A 53 -3.930 -0.859 -8.781 1.00 0.00 O ATOM 0 H SER A 53 -2.717 0.820 -5.904 1.00 0.00 H new ATOM 0 HA SER A 53 -4.156 1.758 -8.277 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.745 -0.888 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.745 -0.141 -8.117 1.00 0.00 H new ATOM 0 HG SER A 53 -4.307 -1.735 -9.004 1.00 0.00 H new ATOM 692 N SER A 54 -5.221 3.094 -6.473 1.00 0.00 N ATOM 693 CA SER A 54 -6.037 3.855 -5.542 1.00 0.00 C ATOM 694 C SER A 54 -7.515 3.580 -5.783 1.00 0.00 C ATOM 695 O SER A 54 -8.045 3.865 -6.860 1.00 0.00 O ATOM 696 CB SER A 54 -5.746 5.349 -5.690 1.00 0.00 C ATOM 697 OG SER A 54 -5.481 5.682 -7.045 1.00 0.00 O ATOM 0 H SER A 54 -4.813 3.649 -7.226 1.00 0.00 H new ATOM 0 HA SER A 54 -5.789 3.546 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.597 5.927 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.891 5.620 -5.071 1.00 0.00 H new ATOM 0 HG SER A 54 -5.299 6.642 -7.116 1.00 0.00 H new ATOM 703 N VAL A 55 -8.178 3.024 -4.787 1.00 0.00 N ATOM 704 CA VAL A 55 -9.585 2.706 -4.908 1.00 0.00 C ATOM 705 C VAL A 55 -10.430 3.774 -4.227 1.00 0.00 C ATOM 706 O VAL A 55 -10.097 4.243 -3.140 1.00 0.00 O ATOM 707 CB VAL A 55 -9.904 1.313 -4.317 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.421 1.202 -2.877 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.391 1.006 -4.410 1.00 0.00 C ATOM 0 H VAL A 55 -7.764 2.784 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.830 2.682 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.367 0.573 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.659 0.212 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.342 1.356 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.915 1.959 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.586 0.021 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.953 1.757 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.701 1.020 -5.455 1.00 0.00 H new ATOM 719 N THR A 56 -11.501 4.182 -4.885 1.00 0.00 N ATOM 720 CA THR A 56 -12.381 5.186 -4.326 1.00 0.00 C ATOM 721 C THR A 56 -13.441 4.524 -3.451 1.00 0.00 C ATOM 722 O THR A 56 -13.987 3.475 -3.804 1.00 0.00 O ATOM 723 CB THR A 56 -13.053 6.041 -5.428 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.829 7.093 -4.840 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.946 5.196 -6.332 1.00 0.00 C ATOM 0 H THR A 56 -11.779 3.834 -5.803 1.00 0.00 H new ATOM 0 HA THR A 56 -11.775 5.856 -3.716 1.00 0.00 H new ATOM 0 HB THR A 56 -12.257 6.469 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.247 7.626 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.400 5.832 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.348 4.423 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.729 4.729 -5.735 1.00 0.00 H new ATOM 733 N ALA A 57 -13.697 5.114 -2.293 1.00 0.00 N ATOM 734 CA ALA A 57 -14.695 4.582 -1.385 1.00 0.00 C ATOM 735 C ALA A 57 -16.083 4.865 -1.934 1.00 0.00 C ATOM 736 O ALA A 57 -16.423 6.017 -2.220 1.00 0.00 O ATOM 737 CB ALA A 57 -14.537 5.179 0.004 1.00 0.00 C ATOM 0 H ALA A 57 -13.228 5.958 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.556 3.504 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.297 4.765 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.547 4.940 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.654 6.261 -0.050 1.00 0.00 H new ATOM 743 N ASP A 58 -16.870 3.810 -2.087 1.00 0.00 N ATOM 744 CA ASP A 58 -18.223 3.926 -2.618 1.00 0.00 C ATOM 745 C ASP A 58 -19.142 4.626 -1.624 1.00 0.00 C ATOM 746 O ASP A 58 -18.738 4.944 -0.505 1.00 0.00 O ATOM 747 CB ASP A 58 -18.780 2.544 -2.971 1.00 0.00 C ATOM 748 CG ASP A 58 -18.625 1.538 -1.850 1.00 0.00 C ATOM 749 OD1 ASP A 58 -19.087 1.812 -0.728 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.050 0.462 -2.087 1.00 0.00 O ATOM 0 H ASP A 58 -16.594 2.857 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.178 4.529 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.836 2.638 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.272 2.170 -3.860 1.00 0.00 H new ATOM 755 N ALA A 59 -20.388 4.838 -2.029 1.00 0.00 N ATOM 756 CA ALA A 59 -21.371 5.514 -1.187 1.00 0.00 C ATOM 757 C ALA A 59 -21.770 4.673 0.022 1.00 0.00 C ATOM 758 O ALA A 59 -22.477 5.153 0.908 1.00 0.00 O ATOM 759 CB ALA A 59 -22.599 5.873 -1.999 1.00 0.00 C ATOM 0 H ALA A 59 -20.745 4.550 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.904 6.425 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.324 6.376 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.314 6.536 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.044 4.965 -2.407 1.00 0.00 H new ATOM 765 N ASN A 60 -21.332 3.421 0.055 1.00 0.00 N ATOM 766 CA ASN A 60 -21.643 2.540 1.172 1.00 0.00 C ATOM 767 C ASN A 60 -20.557 2.670 2.227 1.00 0.00 C ATOM 768 O ASN A 60 -20.753 2.321 3.391 1.00 0.00 O ATOM 769 CB ASN A 60 -21.754 1.073 0.727 1.00 0.00 C ATOM 770 CG ASN A 60 -22.451 0.896 -0.608 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.678 0.923 -0.696 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.669 0.691 -1.656 1.00 0.00 N ATOM 0 H ASN A 60 -20.763 2.994 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.609 2.838 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.754 0.644 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -22.296 0.511 1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.080 0.548 -2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.656 0.676 -1.541 1.00 0.00 H new ATOM 779 N GLY A 61 -19.406 3.174 1.802 1.00 0.00 N ATOM 780 CA GLY A 61 -18.294 3.357 2.707 1.00 0.00 C ATOM 781 C GLY A 61 -17.310 2.210 2.649 1.00 0.00 C ATOM 782 O GLY A 61 -16.597 1.942 3.618 1.00 0.00 O ATOM 0 H GLY A 61 -19.224 3.460 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.779 4.286 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.670 3.459 3.725 1.00 0.00 H new ATOM 786 N SER A 62 -17.266 1.529 1.518 1.00 0.00 N ATOM 787 CA SER A 62 -16.358 0.406 1.350 1.00 0.00 C ATOM 788 C SER A 62 -15.406 0.638 0.180 1.00 0.00 C ATOM 789 O SER A 62 -15.669 1.465 -0.696 1.00 0.00 O ATOM 790 CB SER A 62 -17.157 -0.884 1.143 1.00 0.00 C ATOM 791 OG SER A 62 -18.417 -0.619 0.547 1.00 0.00 O ATOM 0 H SER A 62 -17.846 1.732 0.704 1.00 0.00 H new ATOM 0 HA SER A 62 -15.757 0.312 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.590 -1.568 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.303 -1.382 2.102 1.00 0.00 H new ATOM 0 HG SER A 62 -18.292 -0.402 -0.400 1.00 0.00 H new ATOM 797 N ALA A 63 -14.287 -0.074 0.188 1.00 0.00 N ATOM 798 CA ALA A 63 -13.300 0.034 -0.875 1.00 0.00 C ATOM 799 C ALA A 63 -12.478 -1.244 -0.966 1.00 0.00 C ATOM 800 O ALA A 63 -12.016 -1.766 0.047 1.00 0.00 O ATOM 801 CB ALA A 63 -12.389 1.227 -0.639 1.00 0.00 C ATOM 0 H ALA A 63 -14.040 -0.736 0.924 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.826 0.181 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.657 1.291 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.984 2.140 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.871 1.107 0.313 1.00 0.00 H new ATOM 807 N SER A 64 -12.311 -1.755 -2.175 1.00 0.00 N ATOM 808 CA SER A 64 -11.540 -2.969 -2.393 1.00 0.00 C ATOM 809 C SER A 64 -10.573 -2.780 -3.559 1.00 0.00 C ATOM 810 O SER A 64 -10.958 -2.287 -4.622 1.00 0.00 O ATOM 811 CB SER A 64 -12.486 -4.142 -2.656 1.00 0.00 C ATOM 812 OG SER A 64 -13.508 -4.185 -1.671 1.00 0.00 O ATOM 0 H SER A 64 -12.701 -1.346 -3.024 1.00 0.00 H new ATOM 0 HA SER A 64 -10.955 -3.187 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.931 -4.044 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.926 -5.077 -2.649 1.00 0.00 H new ATOM 0 HG SER A 64 -14.106 -4.939 -1.853 1.00 0.00 H new ATOM 818 N THR A 65 -9.320 -3.151 -3.355 1.00 0.00 N ATOM 819 CA THR A 65 -8.313 -3.013 -4.393 1.00 0.00 C ATOM 820 C THR A 65 -7.373 -4.218 -4.394 1.00 0.00 C ATOM 821 O THR A 65 -7.260 -4.934 -3.395 1.00 0.00 O ATOM 822 CB THR A 65 -7.510 -1.704 -4.217 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.707 -1.443 -5.375 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.627 -1.770 -2.982 1.00 0.00 C ATOM 0 H THR A 65 -8.976 -3.550 -2.481 1.00 0.00 H new ATOM 0 HA THR A 65 -8.826 -2.970 -5.354 1.00 0.00 H new ATOM 0 HB THR A 65 -8.224 -0.890 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.319 -0.545 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.073 -0.837 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.248 -1.921 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.927 -2.599 -3.079 1.00 0.00 H new ATOM 832 N SER A 66 -6.720 -4.440 -5.524 1.00 0.00 N ATOM 833 CA SER A 66 -5.791 -5.550 -5.682 1.00 0.00 C ATOM 834 C SER A 66 -4.423 -5.039 -6.123 1.00 0.00 C ATOM 835 O SER A 66 -4.305 -4.384 -7.161 1.00 0.00 O ATOM 836 CB SER A 66 -6.339 -6.528 -6.716 1.00 0.00 C ATOM 837 OG SER A 66 -7.739 -6.692 -6.561 1.00 0.00 O ATOM 0 H SER A 66 -6.818 -3.858 -6.356 1.00 0.00 H new ATOM 0 HA SER A 66 -5.679 -6.059 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.120 -6.164 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.841 -7.492 -6.611 1.00 0.00 H new ATOM 0 HG SER A 66 -8.071 -7.322 -7.235 1.00 0.00 H new ATOM 843 N LEU A 67 -3.396 -5.345 -5.341 1.00 0.00 N ATOM 844 CA LEU A 67 -2.040 -4.892 -5.644 1.00 0.00 C ATOM 845 C LEU A 67 -1.134 -6.064 -5.998 1.00 0.00 C ATOM 846 O LEU A 67 -1.187 -7.117 -5.363 1.00 0.00 O ATOM 847 CB LEU A 67 -1.426 -4.133 -4.455 1.00 0.00 C ATOM 848 CG LEU A 67 -2.175 -2.878 -3.994 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.673 -2.071 -5.183 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.324 -3.248 -3.074 1.00 0.00 C ATOM 0 H LEU A 67 -3.474 -5.905 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.116 -4.221 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.355 -4.819 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.408 -3.847 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.477 -2.254 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.201 -1.186 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.825 -1.766 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.351 -2.682 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.843 -2.343 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.019 -3.899 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.936 -3.768 -2.198 1.00 0.00 H new ATOM 862 N THR A 68 -0.310 -5.879 -7.014 1.00 0.00 N ATOM 863 CA THR A 68 0.624 -6.909 -7.430 1.00 0.00 C ATOM 864 C THR A 68 1.964 -6.695 -6.734 1.00 0.00 C ATOM 865 O THR A 68 2.657 -5.712 -7.002 1.00 0.00 O ATOM 866 CB THR A 68 0.829 -6.896 -8.955 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.421 -6.645 -9.619 1.00 0.00 O ATOM 868 CG2 THR A 68 1.409 -8.221 -9.426 1.00 0.00 C ATOM 0 H THR A 68 -0.269 -5.023 -7.567 1.00 0.00 H new ATOM 0 HA THR A 68 0.209 -7.877 -7.150 1.00 0.00 H new ATOM 0 HB THR A 68 1.531 -6.100 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.280 -6.637 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.547 -8.194 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.371 -8.390 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.725 -9.030 -9.168 1.00 0.00 H new ATOM 876 N VAL A 69 2.315 -7.603 -5.833 1.00 0.00 N ATOM 877 CA VAL A 69 3.561 -7.493 -5.087 1.00 0.00 C ATOM 878 C VAL A 69 4.762 -7.887 -5.947 1.00 0.00 C ATOM 879 O VAL A 69 4.727 -8.873 -6.686 1.00 0.00 O ATOM 880 CB VAL A 69 3.528 -8.335 -3.783 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.436 -9.828 -4.076 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.743 -8.035 -2.921 1.00 0.00 C ATOM 0 H VAL A 69 1.755 -8.423 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 69 3.670 -6.446 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 69 2.630 -8.052 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.415 -10.382 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.525 -10.033 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.302 -10.138 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.701 -8.635 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.650 -8.277 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.750 -6.977 -2.658 1.00 0.00 H new ATOM 892 N ARG A 70 5.813 -7.086 -5.861 1.00 0.00 N ATOM 893 CA ARG A 70 7.036 -7.322 -6.609 1.00 0.00 C ATOM 894 C ARG A 70 8.174 -7.623 -5.647 1.00 0.00 C ATOM 895 O ARG A 70 8.032 -7.438 -4.439 1.00 0.00 O ATOM 896 CB ARG A 70 7.402 -6.097 -7.454 1.00 0.00 C ATOM 897 CG ARG A 70 6.278 -5.590 -8.339 1.00 0.00 C ATOM 898 CD ARG A 70 5.993 -6.545 -9.484 1.00 0.00 C ATOM 899 NE ARG A 70 4.893 -6.079 -10.318 1.00 0.00 N ATOM 900 CZ ARG A 70 4.329 -6.796 -11.290 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.784 -8.012 -11.574 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.308 -6.294 -11.980 1.00 0.00 N ATOM 0 H ARG A 70 5.841 -6.255 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 70 6.874 -8.172 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.716 -5.292 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.258 -6.345 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.376 -5.458 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.542 -4.611 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.889 -6.658 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.753 -7.530 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 70 4.530 -5.141 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.567 -8.399 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.350 -8.558 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.957 -5.361 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.876 -6.842 -12.724 1.00 0.00 H new ATOM 916 N ARG A 71 9.301 -8.069 -6.177 1.00 0.00 N ATOM 917 CA ARG A 71 10.454 -8.371 -5.347 1.00 0.00 C ATOM 918 C ARG A 71 11.256 -7.093 -5.112 1.00 0.00 C ATOM 919 O ARG A 71 11.768 -6.851 -4.023 1.00 0.00 O ATOM 920 CB ARG A 71 11.320 -9.440 -6.015 1.00 0.00 C ATOM 921 CG ARG A 71 12.198 -10.209 -5.043 1.00 0.00 C ATOM 922 CD ARG A 71 11.389 -11.145 -4.159 1.00 0.00 C ATOM 923 NE ARG A 71 10.775 -12.224 -4.928 1.00 0.00 N ATOM 924 CZ ARG A 71 10.604 -13.465 -4.474 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.010 -13.794 -3.257 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.039 -14.380 -5.248 1.00 0.00 N ATOM 0 H ARG A 71 9.441 -8.229 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 71 10.119 -8.760 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.673 -10.143 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.953 -8.966 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.936 -10.785 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.748 -9.506 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.036 -11.569 -3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.613 -10.578 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 71 10.456 -12.014 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.456 -13.096 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.876 -14.746 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.736 -14.134 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.908 -15.330 -4.902 1.00 0.00 H new ATOM 940 N SER A 72 11.344 -6.280 -6.151 1.00 0.00 N ATOM 941 CA SER A 72 12.042 -5.004 -6.092 1.00 0.00 C ATOM 942 C SER A 72 11.123 -3.922 -6.653 1.00 0.00 C ATOM 943 O SER A 72 10.367 -4.183 -7.594 1.00 0.00 O ATOM 944 CB SER A 72 13.350 -5.073 -6.889 1.00 0.00 C ATOM 945 OG SER A 72 14.037 -6.301 -6.660 1.00 0.00 O ATOM 0 H SER A 72 10.933 -6.485 -7.062 1.00 0.00 H new ATOM 0 HA SER A 72 12.296 -4.767 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.135 -4.968 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.992 -4.238 -6.609 1.00 0.00 H new ATOM 0 HG SER A 72 14.699 -6.178 -5.948 1.00 0.00 H new ATOM 951 N PHE A 73 11.163 -2.724 -6.084 1.00 0.00 N ATOM 952 CA PHE A 73 10.288 -1.654 -6.551 1.00 0.00 C ATOM 953 C PHE A 73 10.871 -0.268 -6.287 1.00 0.00 C ATOM 954 O PHE A 73 11.750 -0.101 -5.445 1.00 0.00 O ATOM 955 CB PHE A 73 8.928 -1.764 -5.859 1.00 0.00 C ATOM 956 CG PHE A 73 8.957 -1.394 -4.398 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.313 -2.325 -3.441 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.627 -0.113 -3.988 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.338 -1.985 -2.103 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.651 0.232 -2.652 1.00 0.00 C ATOM 961 CZ PHE A 73 9.007 -0.708 -1.708 1.00 0.00 C ATOM 0 H PHE A 73 11.780 -2.470 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 73 10.182 -1.771 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.216 -1.119 -6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.562 -2.786 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.574 -3.329 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.347 0.626 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.618 -2.722 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.392 1.235 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.026 -0.443 -0.661 1.00 0.00 H new ATOM 971 N GLU A 74 10.363 0.720 -7.015 1.00 0.00 N ATOM 972 CA GLU A 74 10.791 2.102 -6.845 1.00 0.00 C ATOM 973 C GLU A 74 9.948 2.754 -5.756 1.00 0.00 C ATOM 974 O GLU A 74 8.723 2.797 -5.855 1.00 0.00 O ATOM 975 CB GLU A 74 10.648 2.885 -8.156 1.00 0.00 C ATOM 976 CG GLU A 74 11.176 2.147 -9.373 1.00 0.00 C ATOM 977 CD GLU A 74 10.068 1.470 -10.157 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.590 0.399 -9.722 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.668 2.006 -11.213 1.00 0.00 O ATOM 0 H GLU A 74 9.650 0.587 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 74 11.842 2.113 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.596 3.121 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.176 3.834 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.702 2.848 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.903 1.400 -9.056 1.00 0.00 H new ATOM 986 N GLY A 75 10.605 3.245 -4.718 1.00 0.00 N ATOM 987 CA GLY A 75 9.895 3.862 -3.617 1.00 0.00 C ATOM 988 C GLY A 75 9.520 5.311 -3.872 1.00 0.00 C ATOM 989 O GLY A 75 10.367 6.129 -4.249 1.00 0.00 O ATOM 0 H GLY A 75 11.620 3.228 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.989 3.291 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.513 3.808 -2.721 1.00 0.00 H new ATOM 993 N PHE A 76 8.252 5.631 -3.635 1.00 0.00 N ATOM 994 CA PHE A 76 7.739 6.980 -3.827 1.00 0.00 C ATOM 995 C PHE A 76 6.908 7.390 -2.623 1.00 0.00 C ATOM 996 O PHE A 76 6.357 6.537 -1.925 1.00 0.00 O ATOM 997 CB PHE A 76 6.877 7.054 -5.089 1.00 0.00 C ATOM 998 CG PHE A 76 7.637 7.399 -6.342 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.580 6.526 -6.866 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.394 8.592 -7.000 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.266 6.842 -8.024 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.075 8.911 -8.158 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.011 8.037 -8.671 1.00 0.00 C ATOM 0 H PHE A 76 7.554 4.964 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 76 8.585 7.659 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.381 6.094 -5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.095 7.798 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.780 5.591 -6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.663 9.281 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.000 6.157 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.875 9.845 -8.662 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.544 8.286 -9.577 1.00 0.00 H new ATOM 1013 N LEU A 77 6.828 8.687 -2.370 1.00 0.00 N ATOM 1014 CA LEU A 77 6.052 9.192 -1.253 1.00 0.00 C ATOM 1015 C LEU A 77 4.612 9.445 -1.696 1.00 0.00 C ATOM 1016 O LEU A 77 4.317 9.438 -2.894 1.00 0.00 O ATOM 1017 CB LEU A 77 6.677 10.475 -0.697 1.00 0.00 C ATOM 1018 CG LEU A 77 8.192 10.413 -0.445 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.652 11.656 0.299 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.571 9.162 0.340 1.00 0.00 C ATOM 0 H LEU A 77 7.291 9.407 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 77 6.052 8.445 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.474 11.289 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.180 10.725 0.240 1.00 0.00 H new ATOM 0 HG LEU A 77 8.692 10.370 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.727 11.600 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.426 12.541 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.134 11.720 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.649 9.147 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.059 9.167 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.276 8.276 -0.223 1.00 0.00 H new ATOM 1032 N PHE A 78 3.730 9.704 -0.737 1.00 0.00 N ATOM 1033 CA PHE A 78 2.310 9.933 -1.024 1.00 0.00 C ATOM 1034 C PHE A 78 2.059 11.292 -1.680 1.00 0.00 C ATOM 1035 O PHE A 78 0.910 11.686 -1.886 1.00 0.00 O ATOM 1036 CB PHE A 78 1.481 9.821 0.263 1.00 0.00 C ATOM 1037 CG PHE A 78 0.822 8.485 0.446 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.580 7.343 0.649 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.557 8.374 0.416 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.973 6.113 0.821 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.171 7.149 0.587 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.406 6.016 0.789 1.00 0.00 C ATOM 0 H PHE A 78 3.971 9.762 0.253 1.00 0.00 H new ATOM 0 HA PHE A 78 2.002 9.163 -1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.128 10.017 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.715 10.596 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.657 7.415 0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.160 9.256 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.574 5.230 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.248 7.076 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.884 5.057 0.922 1.00 0.00 H new ATOM 1052 N ASP A 79 3.126 12.006 -2.008 1.00 0.00 N ATOM 1053 CA ASP A 79 3.004 13.312 -2.643 1.00 0.00 C ATOM 1054 C ASP A 79 3.640 13.315 -4.034 1.00 0.00 C ATOM 1055 O ASP A 79 3.625 14.332 -4.731 1.00 0.00 O ATOM 1056 CB ASP A 79 3.633 14.400 -1.768 1.00 0.00 C ATOM 1057 CG ASP A 79 5.133 14.249 -1.601 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.691 13.215 -2.026 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.768 15.161 -1.031 1.00 0.00 O ATOM 0 H ASP A 79 4.086 11.704 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 79 1.941 13.526 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.420 15.375 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.162 14.382 -0.785 1.00 0.00 H new ATOM 1064 N GLY A 80 4.216 12.183 -4.426 1.00 0.00 N ATOM 1065 CA GLY A 80 4.833 12.081 -5.739 1.00 0.00 C ATOM 1066 C GLY A 80 6.344 12.208 -5.702 1.00 0.00 C ATOM 1067 O GLY A 80 7.012 12.035 -6.727 1.00 0.00 O ATOM 0 H GLY A 80 4.267 11.336 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.566 11.123 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.426 12.858 -6.386 1.00 0.00 H new ATOM 1071 N THR A 81 6.889 12.509 -4.531 1.00 0.00 N ATOM 1072 CA THR A 81 8.330 12.648 -4.382 1.00 0.00 C ATOM 1073 C THR A 81 9.020 11.289 -4.462 1.00 0.00 C ATOM 1074 O THR A 81 8.547 10.307 -3.889 1.00 0.00 O ATOM 1075 CB THR A 81 8.686 13.337 -3.051 1.00 0.00 C ATOM 1076 OG1 THR A 81 7.906 14.531 -2.908 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.163 13.690 -2.993 1.00 0.00 C ATOM 0 H THR A 81 6.357 12.661 -3.674 1.00 0.00 H new ATOM 0 HA THR A 81 8.685 13.271 -5.203 1.00 0.00 H new ATOM 0 HB THR A 81 8.466 12.645 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.131 14.969 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.384 14.175 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.758 12.781 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.408 14.367 -3.811 1.00 0.00 H new ATOM 1085 N ARG A 82 10.131 11.235 -5.183 1.00 0.00 N ATOM 1086 CA ARG A 82 10.880 9.996 -5.334 1.00 0.00 C ATOM 1087 C ARG A 82 12.053 9.965 -4.362 1.00 0.00 C ATOM 1088 O ARG A 82 12.814 10.926 -4.266 1.00 0.00 O ATOM 1089 CB ARG A 82 11.376 9.833 -6.777 1.00 0.00 C ATOM 1090 CG ARG A 82 12.037 11.082 -7.353 1.00 0.00 C ATOM 1091 CD ARG A 82 11.412 11.481 -8.685 1.00 0.00 C ATOM 1092 NE ARG A 82 9.985 11.789 -8.563 1.00 0.00 N ATOM 1093 CZ ARG A 82 9.198 12.090 -9.596 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.695 12.122 -10.826 1.00 0.00 N ATOM 1095 NH2 ARG A 82 7.910 12.353 -9.398 1.00 0.00 N ATOM 0 H ARG A 82 10.533 12.034 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 82 10.215 9.163 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.088 9.008 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.533 9.556 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.942 11.905 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.103 10.901 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.936 12.350 -9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.546 10.672 -9.403 1.00 0.00 H new ATOM 0 HE ARG A 82 9.569 11.772 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.682 11.916 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.090 12.353 -11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.523 12.325 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.309 12.583 -10.189 1.00 0.00 H new ATOM 1109 N TRP A 83 12.191 8.864 -3.635 1.00 0.00 N ATOM 1110 CA TRP A 83 13.273 8.724 -2.672 1.00 0.00 C ATOM 1111 C TRP A 83 14.356 7.804 -3.224 1.00 0.00 C ATOM 1112 O TRP A 83 15.518 8.193 -3.330 1.00 0.00 O ATOM 1113 CB TRP A 83 12.736 8.182 -1.345 1.00 0.00 C ATOM 1114 CG TRP A 83 13.603 8.514 -0.168 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.809 7.956 0.151 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.328 9.484 0.846 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.294 8.517 1.304 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.406 9.456 1.750 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.274 10.372 1.079 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.459 10.281 2.866 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.329 11.191 2.188 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.415 11.141 3.070 1.00 0.00 C ATOM 0 H TRP A 83 11.569 8.058 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 83 13.711 9.706 -2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.737 8.584 -1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.636 7.099 -1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.307 7.187 -0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.175 8.273 1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.432 10.416 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.295 10.245 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.521 11.882 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.429 11.795 3.929 1.00 0.00 H new ATOM 1133 N GLY A 84 13.965 6.591 -3.594 1.00 0.00 N ATOM 1134 CA GLY A 84 14.916 5.636 -4.131 1.00 0.00 C ATOM 1135 C GLY A 84 14.290 4.277 -4.348 1.00 0.00 C ATOM 1136 O GLY A 84 13.135 4.059 -3.988 1.00 0.00 O ATOM 0 H GLY A 84 13.005 6.251 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.310 6.009 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.760 5.542 -3.448 1.00 0.00 H new ATOM 1140 N THR A 85 15.044 3.366 -4.933 1.00 0.00 N ATOM 1141 CA THR A 85 14.556 2.027 -5.197 1.00 0.00 C ATOM 1142 C THR A 85 14.752 1.126 -3.983 1.00 0.00 C ATOM 1143 O THR A 85 15.807 1.150 -3.345 1.00 0.00 O ATOM 1144 CB THR A 85 15.282 1.420 -6.406 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.798 2.470 -7.234 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.344 0.545 -7.220 1.00 0.00 C ATOM 0 H THR A 85 16.004 3.531 -5.236 1.00 0.00 H new ATOM 0 HA THR A 85 13.490 2.098 -5.414 1.00 0.00 H new ATOM 0 HB THR A 85 16.101 0.801 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.263 2.081 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.883 0.127 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.968 -0.265 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.507 1.144 -7.579 1.00 0.00 H new ATOM 1154 N VAL A 86 13.735 0.340 -3.662 1.00 0.00 N ATOM 1155 CA VAL A 86 13.798 -0.562 -2.521 1.00 0.00 C ATOM 1156 C VAL A 86 13.692 -2.010 -2.981 1.00 0.00 C ATOM 1157 O VAL A 86 12.895 -2.336 -3.865 1.00 0.00 O ATOM 1158 CB VAL A 86 12.675 -0.280 -1.498 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.890 -1.082 -0.218 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.588 1.208 -1.196 1.00 0.00 C ATOM 0 H VAL A 86 12.855 0.308 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 86 14.759 -0.392 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 86 11.728 -0.596 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.086 -0.866 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.891 -2.147 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.846 -0.807 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.791 1.387 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.536 1.551 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.374 1.754 -2.115 1.00 0.00 H new ATOM 1170 N ASP A 87 14.501 -2.870 -2.388 1.00 0.00 N ATOM 1171 CA ASP A 87 14.496 -4.280 -2.731 1.00 0.00 C ATOM 1172 C ASP A 87 13.991 -5.106 -1.559 1.00 0.00 C ATOM 1173 O ASP A 87 14.461 -4.948 -0.430 1.00 0.00 O ATOM 1174 CB ASP A 87 15.899 -4.737 -3.128 1.00 0.00 C ATOM 1175 CG ASP A 87 15.960 -6.226 -3.393 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.565 -6.651 -4.495 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.401 -6.982 -2.499 1.00 0.00 O ATOM 0 H ASP A 87 15.172 -2.615 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 87 13.827 -4.427 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.217 -4.197 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.601 -4.482 -2.334 1.00 0.00 H new ATOM 1182 N CYS A 88 13.035 -5.977 -1.822 1.00 0.00 N ATOM 1183 CA CYS A 88 12.472 -6.818 -0.781 1.00 0.00 C ATOM 1184 C CYS A 88 12.814 -8.284 -1.021 1.00 0.00 C ATOM 1185 O CYS A 88 12.065 -9.178 -0.635 1.00 0.00 O ATOM 1186 CB CYS A 88 10.957 -6.623 -0.692 1.00 0.00 C ATOM 1187 SG CYS A 88 10.461 -5.232 0.376 1.00 0.00 S ATOM 0 H CYS A 88 12.632 -6.121 -2.748 1.00 0.00 H new ATOM 0 HA CYS A 88 12.913 -6.521 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.561 -6.460 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.503 -7.539 -0.315 1.00 0.00 H new ATOM 1192 N THR A 89 13.944 -8.526 -1.678 1.00 0.00 N ATOM 1193 CA THR A 89 14.393 -9.886 -1.926 1.00 0.00 C ATOM 1194 C THR A 89 15.056 -10.425 -0.664 1.00 0.00 C ATOM 1195 O THR A 89 14.870 -11.581 -0.282 1.00 0.00 O ATOM 1196 CB THR A 89 15.390 -9.956 -3.106 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.907 -9.176 -4.213 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.598 -11.393 -3.558 1.00 0.00 C ATOM 0 H THR A 89 14.560 -7.801 -2.045 1.00 0.00 H new ATOM 0 HA THR A 89 13.525 -10.490 -2.191 1.00 0.00 H new ATOM 0 HB THR A 89 16.343 -9.553 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.525 -8.436 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.303 -11.415 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.994 -11.981 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.646 -11.815 -3.879 1.00 0.00 H new ATOM 1206 N THR A 90 15.810 -9.556 -0.012 1.00 0.00 N ATOM 1207 CA THR A 90 16.507 -9.902 1.214 1.00 0.00 C ATOM 1208 C THR A 90 15.800 -9.260 2.409 1.00 0.00 C ATOM 1209 O THR A 90 16.063 -9.595 3.563 1.00 0.00 O ATOM 1210 CB THR A 90 17.980 -9.431 1.150 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.720 -9.901 2.283 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.062 -7.915 1.089 1.00 0.00 C ATOM 0 H THR A 90 15.956 -8.594 -0.317 1.00 0.00 H new ATOM 0 HA THR A 90 16.496 -10.986 1.332 1.00 0.00 H new ATOM 0 HB THR A 90 18.416 -9.849 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.103 -10.095 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.107 -7.609 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.541 -7.558 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.597 -7.489 1.978 1.00 0.00 H new ATOM 1220 N ALA A 91 14.876 -8.353 2.114 1.00 0.00 N ATOM 1221 CA ALA A 91 14.133 -7.647 3.146 1.00 0.00 C ATOM 1222 C ALA A 91 12.647 -7.980 3.062 1.00 0.00 C ATOM 1223 O ALA A 91 12.238 -8.827 2.267 1.00 0.00 O ATOM 1224 CB ALA A 91 14.354 -6.144 3.018 1.00 0.00 C ATOM 0 H ALA A 91 14.624 -8.089 1.161 1.00 0.00 H new ATOM 0 HA ALA A 91 14.499 -7.971 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.793 -5.626 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.415 -5.922 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.012 -5.808 2.039 1.00 0.00 H new ATOM 1230 N ALA A 92 11.844 -7.318 3.880 1.00 0.00 N ATOM 1231 CA ALA A 92 10.410 -7.546 3.890 1.00 0.00 C ATOM 1232 C ALA A 92 9.667 -6.283 3.471 1.00 0.00 C ATOM 1233 O ALA A 92 10.103 -5.170 3.771 1.00 0.00 O ATOM 1234 CB ALA A 92 9.953 -8.005 5.266 1.00 0.00 C ATOM 0 H ALA A 92 12.164 -6.616 4.548 1.00 0.00 H new ATOM 0 HA ALA A 92 10.180 -8.334 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.876 -8.171 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.461 -8.934 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.195 -7.240 6.004 1.00 0.00 H new ATOM 1240 N CYS A 93 8.562 -6.461 2.772 1.00 0.00 N ATOM 1241 CA CYS A 93 7.755 -5.341 2.307 1.00 0.00 C ATOM 1242 C CYS A 93 6.455 -5.271 3.099 1.00 0.00 C ATOM 1243 O CYS A 93 6.011 -6.275 3.654 1.00 0.00 O ATOM 1244 CB CYS A 93 7.442 -5.499 0.818 1.00 0.00 C ATOM 1245 SG CYS A 93 8.630 -4.697 -0.315 1.00 0.00 S ATOM 0 H CYS A 93 8.198 -7.377 2.510 1.00 0.00 H new ATOM 0 HA CYS A 93 8.317 -4.419 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.401 -6.562 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.449 -5.091 0.626 1.00 0.00 H new ATOM 1250 N GLN A 94 5.845 -4.097 3.148 1.00 0.00 N ATOM 1251 CA GLN A 94 4.595 -3.919 3.875 1.00 0.00 C ATOM 1252 C GLN A 94 3.564 -3.201 3.010 1.00 0.00 C ATOM 1253 O GLN A 94 3.905 -2.337 2.203 1.00 0.00 O ATOM 1254 CB GLN A 94 4.816 -3.158 5.192 1.00 0.00 C ATOM 1255 CG GLN A 94 5.734 -1.949 5.080 1.00 0.00 C ATOM 1256 CD GLN A 94 7.117 -2.215 5.640 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.027 -2.619 4.917 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.286 -1.989 6.936 1.00 0.00 N ATOM 0 H GLN A 94 6.194 -3.253 2.694 1.00 0.00 H new ATOM 0 HA GLN A 94 4.212 -4.910 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.849 -2.829 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.231 -3.846 5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.820 -1.658 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.287 -1.108 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.506 -1.654 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.196 -2.150 7.367 1.00 0.00 H new ATOM 1267 N VAL A 95 2.306 -3.573 3.179 1.00 0.00 N ATOM 1268 CA VAL A 95 1.217 -2.976 2.417 1.00 0.00 C ATOM 1269 C VAL A 95 0.882 -1.594 2.966 1.00 0.00 C ATOM 1270 O VAL A 95 0.508 -1.454 4.132 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.052 -3.858 2.448 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.090 -3.344 1.457 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.295 -5.312 2.155 1.00 0.00 C ATOM 0 H VAL A 95 2.010 -4.290 3.841 1.00 0.00 H new ATOM 0 HA VAL A 95 1.553 -2.892 1.383 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.479 -3.804 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.975 -3.979 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.366 -2.322 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.673 -3.363 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.613 -5.915 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.750 -5.385 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.996 -5.677 2.906 1.00 0.00 H new ATOM 1283 N GLY A 96 1.029 -0.580 2.126 1.00 0.00 N ATOM 1284 CA GLY A 96 0.747 0.774 2.545 1.00 0.00 C ATOM 1285 C GLY A 96 -0.585 1.260 2.029 1.00 0.00 C ATOM 1286 O GLY A 96 -0.753 1.471 0.829 1.00 0.00 O ATOM 0 H GLY A 96 1.340 -0.673 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.755 0.825 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.537 1.436 2.189 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.534 1.427 2.936 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.862 1.889 2.578 1.00 0.00 C ATOM 1292 C LEU A 97 -3.246 3.095 3.422 1.00 0.00 C ATOM 1293 O LEU A 97 -3.227 3.040 4.653 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.896 0.765 2.743 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.863 0.014 4.081 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.272 -0.379 4.495 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -2.975 -1.223 3.991 1.00 0.00 C ATOM 0 H LEU A 97 -1.406 1.248 3.932 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.850 2.186 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.891 1.191 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.750 0.043 1.940 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.443 0.679 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.237 -0.911 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.883 0.517 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.708 -1.025 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.969 -1.737 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.362 -1.893 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.959 -0.924 3.733 1.00 0.00 H new ATOM 1309 N SER A 98 -3.557 4.192 2.755 1.00 0.00 N ATOM 1310 CA SER A 98 -3.948 5.422 3.427 1.00 0.00 C ATOM 1311 C SER A 98 -4.870 6.247 2.532 1.00 0.00 C ATOM 1312 O SER A 98 -4.935 6.033 1.319 1.00 0.00 O ATOM 1313 CB SER A 98 -2.707 6.241 3.807 1.00 0.00 C ATOM 1314 OG SER A 98 -1.811 5.486 4.612 1.00 0.00 O ATOM 0 H SER A 98 -3.546 4.257 1.737 1.00 0.00 H new ATOM 0 HA SER A 98 -4.487 5.162 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.196 6.570 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.013 7.139 4.345 1.00 0.00 H new ATOM 0 HG SER A 98 -1.031 6.035 4.836 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.587 7.180 3.136 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.507 8.038 2.399 1.00 0.00 C ATOM 1322 C ASP A 99 -5.800 9.304 1.921 1.00 0.00 C ATOM 1323 O ASP A 99 -4.573 9.395 1.978 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.714 8.402 3.272 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.420 9.502 4.278 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.329 9.496 4.882 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -8.284 10.385 4.461 1.00 0.00 O ATOM 0 H ASP A 99 -5.551 7.365 4.138 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.859 7.490 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.536 8.717 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.049 7.512 3.805 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.578 10.278 1.457 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.031 11.542 0.969 1.00 0.00 C ATOM 1334 C ALA A 100 -5.304 12.307 2.072 1.00 0.00 C ATOM 1335 O ALA A 100 -4.420 13.117 1.799 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.144 12.401 0.384 1.00 0.00 C ATOM 0 H ALA A 100 -7.595 10.216 1.408 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.303 11.310 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.727 13.341 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.615 11.871 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.888 12.606 1.154 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.682 12.046 3.317 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.070 12.705 4.461 1.00 0.00 C ATOM 1344 C ALA A 101 -3.845 11.936 4.950 1.00 0.00 C ATOM 1345 O ALA A 101 -3.155 12.368 5.875 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.084 12.839 5.582 1.00 0.00 C ATOM 0 H ALA A 101 -6.414 11.378 3.560 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.743 13.697 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.620 13.333 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.932 13.431 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.430 11.849 5.880 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.585 10.791 4.331 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.446 9.984 4.714 1.00 0.00 C ATOM 1354 C GLY A 102 -2.703 9.194 5.981 1.00 0.00 C ATOM 1355 O GLY A 102 -1.765 8.798 6.675 1.00 0.00 O ATOM 0 H GLY A 102 -4.145 10.408 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.201 9.298 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.579 10.628 4.859 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.975 8.968 6.285 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.361 8.225 7.478 1.00 0.00 C ATOM 1361 C ASN A 103 -5.147 6.980 7.096 1.00 0.00 C ATOM 1362 O ASN A 103 -5.461 6.774 5.924 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.203 9.102 8.409 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.366 9.870 9.408 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.355 9.375 9.902 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.784 11.085 9.713 1.00 0.00 N ATOM 0 H ASN A 103 -4.760 9.290 5.719 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.453 7.926 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.783 9.805 7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.916 8.475 8.945 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.262 11.651 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.629 11.458 9.279 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.451 6.148 8.081 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.210 4.944 7.829 1.00 0.00 C ATOM 1375 C GLY A 104 -5.758 3.799 8.705 1.00 0.00 C ATOM 1376 O GLY A 104 -5.224 4.025 9.789 1.00 0.00 O ATOM 0 H GLY A 104 -5.183 6.288 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.268 5.139 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.106 4.662 6.781 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.972 2.555 8.267 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.577 1.366 9.023 1.00 0.00 C ATOM 1382 C PRO A 105 -4.066 1.162 9.032 1.00 0.00 C ATOM 1383 O PRO A 105 -3.347 1.704 8.188 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.263 0.208 8.282 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.204 0.849 7.311 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.625 2.197 7.005 1.00 0.00 C ATOM 0 HA PRO A 105 -5.867 1.445 10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.532 -0.414 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.798 -0.439 8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.298 0.250 6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.203 0.941 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.916 2.156 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.396 2.916 6.728 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.586 0.377 9.984 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.161 0.108 10.095 1.00 0.00 C ATOM 1396 C GLU A 106 -1.704 -0.843 8.995 1.00 0.00 C ATOM 1397 O GLU A 106 -2.403 -1.806 8.664 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.838 -0.479 11.466 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.104 0.479 12.614 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.392 0.063 13.884 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.167 0.288 13.980 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.050 -0.498 14.787 1.00 0.00 O ATOM 0 H GLU A 106 -4.161 -0.084 10.689 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.625 1.050 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.429 -1.383 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.790 -0.776 11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.782 1.481 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.177 0.530 12.801 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.530 -0.566 8.431 1.00 0.00 N ATOM 1410 CA GLY A 107 0.008 -1.398 7.369 1.00 0.00 C ATOM 1411 C GLY A 107 0.405 -2.774 7.862 1.00 0.00 C ATOM 1412 O GLY A 107 0.692 -2.955 9.046 1.00 0.00 O ATOM 0 H GLY A 107 0.060 0.224 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.735 -1.498 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.877 -0.907 6.931 1.00 0.00 H new ATOM 1416 N VAL A 108 0.421 -3.742 6.958 1.00 0.00 N ATOM 1417 CA VAL A 108 0.780 -5.111 7.304 1.00 0.00 C ATOM 1418 C VAL A 108 2.035 -5.534 6.550 1.00 0.00 C ATOM 1419 O VAL A 108 2.135 -5.329 5.340 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.360 -6.099 6.974 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.057 -7.481 7.537 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.694 -5.585 7.497 1.00 0.00 C ATOM 0 H VAL A 108 0.188 -3.605 5.974 1.00 0.00 H new ATOM 0 HA VAL A 108 0.963 -5.136 8.378 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.431 -6.181 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.873 -8.160 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.870 -7.856 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.050 -7.417 8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.480 -6.299 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.638 -5.464 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.920 -4.624 7.035 1.00 0.00 H new ATOM 1432 N ALA A 109 2.985 -6.118 7.263 1.00 0.00 N ATOM 1433 CA ALA A 109 4.231 -6.567 6.660 1.00 0.00 C ATOM 1434 C ALA A 109 4.104 -7.995 6.141 1.00 0.00 C ATOM 1435 O ALA A 109 3.523 -8.861 6.799 1.00 0.00 O ATOM 1436 CB ALA A 109 5.370 -6.465 7.663 1.00 0.00 C ATOM 0 H ALA A 109 2.917 -6.293 8.266 1.00 0.00 H new ATOM 0 HA ALA A 109 4.451 -5.918 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.296 -6.804 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.482 -5.429 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.149 -7.089 8.529 1.00 0.00 H new ATOM 1442 N ILE A 110 4.652 -8.231 4.959 1.00 0.00 N ATOM 1443 CA ILE A 110 4.613 -9.544 4.339 1.00 0.00 C ATOM 1444 C ILE A 110 6.026 -10.012 4.013 1.00 0.00 C ATOM 1445 O ILE A 110 6.955 -9.203 3.916 1.00 0.00 O ATOM 1446 CB ILE A 110 3.753 -9.551 3.045 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.280 -8.532 2.027 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.295 -9.265 3.372 1.00 0.00 C ATOM 1449 CD1 ILE A 110 5.075 -9.155 0.897 1.00 0.00 C ATOM 0 H ILE A 110 5.133 -7.522 4.406 1.00 0.00 H new ATOM 0 HA ILE A 110 4.152 -10.226 5.053 1.00 0.00 H new ATOM 0 HB ILE A 110 3.824 -10.544 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.438 -7.982 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.908 -7.806 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.708 -9.274 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.918 -10.029 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.213 -8.287 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.415 -8.374 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.938 -9.681 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.445 -9.859 0.354 1.00 0.00 H new ATOM 1461 N SER A 111 6.195 -11.313 3.884 1.00 0.00 N ATOM 1462 CA SER A 111 7.486 -11.885 3.558 1.00 0.00 C ATOM 1463 C SER A 111 7.309 -13.054 2.601 1.00 0.00 C ATOM 1464 O SER A 111 6.366 -13.843 2.734 1.00 0.00 O ATOM 1465 CB SER A 111 8.206 -12.332 4.829 1.00 0.00 C ATOM 1466 OG SER A 111 8.310 -11.259 5.754 1.00 0.00 O ATOM 0 H SER A 111 5.448 -11.998 4.001 1.00 0.00 H new ATOM 0 HA SER A 111 8.097 -11.125 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.666 -13.161 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.201 -12.700 4.578 1.00 0.00 H new ATOM 0 HG SER A 111 8.773 -11.567 6.561 1.00 0.00 H new ATOM 1472 N PHE A 112 8.203 -13.149 1.630 1.00 0.00 N ATOM 1473 CA PHE A 112 8.149 -14.216 0.646 1.00 0.00 C ATOM 1474 C PHE A 112 8.780 -15.483 1.211 1.00 0.00 C ATOM 1475 O PHE A 112 9.337 -15.476 2.311 1.00 0.00 O ATOM 1476 CB PHE A 112 8.878 -13.795 -0.635 1.00 0.00 C ATOM 1477 CG PHE A 112 8.508 -12.424 -1.126 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.362 -12.227 -1.874 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.311 -11.332 -0.841 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.021 -10.968 -2.328 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.977 -10.070 -1.292 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.830 -9.888 -2.037 1.00 0.00 C ATOM 0 H PHE A 112 8.977 -12.497 1.503 1.00 0.00 H new ATOM 0 HA PHE A 112 7.105 -14.416 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.953 -13.828 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.662 -14.521 -1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.726 -13.068 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.210 -11.469 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.122 -10.829 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.612 -9.227 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.566 -8.903 -2.392 1.00 0.00 H new ATOM 1492 N ASN A 113 8.682 -16.569 0.464 1.00 0.00 N ATOM 1493 CA ASN A 113 9.256 -17.837 0.892 1.00 0.00 C ATOM 1494 C ASN A 113 10.705 -17.912 0.445 1.00 0.00 C ATOM 1495 O ASN A 113 11.509 -18.582 1.124 1.00 0.00 O ATOM 1496 CB ASN A 113 8.468 -19.032 0.333 1.00 0.00 C ATOM 1497 CG ASN A 113 8.425 -19.055 -1.181 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.344 -19.550 -1.838 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.346 -18.538 -1.743 1.00 0.00 N ATOM 1500 OXT ASN A 113 11.041 -17.285 -0.584 1.00 0.00 O ATOM 0 H ASN A 113 8.212 -16.600 -0.441 1.00 0.00 H new ATOM 0 HA ASN A 113 9.202 -17.887 1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.918 -19.957 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.449 -19.002 0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.250 -18.538 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.610 -18.139 -1.161 1.00 0.00 H new