USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 462 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -156:sc= -0.0222 (180deg=-0.478) USER MOD Single : A 14 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.2!) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.1 F(o=-0.62,f=-0.1) USER MOD Single : A 19 GLN : amide:sc= -1.8! C(o=-1.8!,f=-5.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -130:sc= -2.53! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.3!) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= -0.62 (180deg=-0.905) USER MOD Single : A 43 ASN : amide:sc= 0.226 X(o=0.23,f=-0.0078) USER MOD Single : A 45 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 124:sc= -1.35 USER MOD Single : A 52 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00237 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 44.113 50.014 -34.625 1.00 0.00 N ATOM 2 CA LEU A 1 42.857 49.507 -35.247 1.00 0.00 C ATOM 3 C LEU A 1 41.721 50.498 -34.982 1.00 0.00 C ATOM 4 O LEU A 1 40.994 50.380 -34.016 1.00 0.00 O ATOM 5 CB LEU A 1 42.500 48.148 -34.639 1.00 0.00 C ATOM 6 CG LEU A 1 41.165 47.668 -35.209 1.00 0.00 C ATOM 7 CD1 LEU A 1 41.420 46.778 -36.427 1.00 0.00 C ATOM 8 CD2 LEU A 1 40.415 46.867 -34.142 1.00 0.00 C ATOM 0 H1 LEU A 1 44.885 49.341 -34.805 1.00 0.00 H new ATOM 0 H2 LEU A 1 44.356 50.938 -35.036 1.00 0.00 H new ATOM 0 H3 LEU A 1 43.975 50.117 -33.599 1.00 0.00 H new ATOM 0 HA LEU A 1 43.001 49.398 -36.322 1.00 0.00 H new ATOM 0 HB2 LEU A 1 43.283 47.422 -34.859 1.00 0.00 H new ATOM 0 HB3 LEU A 1 42.436 48.229 -33.554 1.00 0.00 H new ATOM 0 HG LEU A 1 40.567 48.529 -35.507 1.00 0.00 H new ATOM 0 HD11 LEU A 1 40.468 46.436 -36.833 1.00 0.00 H new ATOM 0 HD12 LEU A 1 41.956 47.346 -37.187 1.00 0.00 H new ATOM 0 HD13 LEU A 1 42.018 45.917 -36.129 1.00 0.00 H new ATOM 0 HD21 LEU A 1 39.463 46.524 -34.547 1.00 0.00 H new ATOM 0 HD22 LEU A 1 41.014 46.006 -33.845 1.00 0.00 H new ATOM 0 HD23 LEU A 1 40.233 47.500 -33.273 1.00 0.00 H new ATOM 22 N LYS A 2 41.563 51.474 -35.834 1.00 0.00 N ATOM 23 CA LYS A 2 40.475 52.471 -35.631 1.00 0.00 C ATOM 24 C LYS A 2 40.328 53.326 -36.891 1.00 0.00 C ATOM 25 O LYS A 2 40.909 53.040 -37.919 1.00 0.00 O ATOM 26 CB LYS A 2 40.821 53.370 -34.443 1.00 0.00 C ATOM 27 CG LYS A 2 40.117 52.851 -33.188 1.00 0.00 C ATOM 28 CD LYS A 2 41.149 52.237 -32.240 1.00 0.00 C ATOM 29 CE LYS A 2 40.534 51.032 -31.526 1.00 0.00 C ATOM 30 NZ LYS A 2 39.730 51.501 -30.363 1.00 0.00 N ATOM 0 H LYS A 2 42.140 51.624 -36.661 1.00 0.00 H new ATOM 0 HA LYS A 2 39.538 51.951 -35.432 1.00 0.00 H new ATOM 0 HB2 LYS A 2 41.900 53.386 -34.287 1.00 0.00 H new ATOM 0 HB3 LYS A 2 40.513 54.395 -34.648 1.00 0.00 H new ATOM 0 HG2 LYS A 2 39.590 53.665 -32.691 1.00 0.00 H new ATOM 0 HG3 LYS A 2 39.369 52.106 -33.460 1.00 0.00 H new ATOM 0 HD2 LYS A 2 42.033 51.930 -32.798 1.00 0.00 H new ATOM 0 HD3 LYS A 2 41.474 52.978 -31.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 39.903 50.471 -32.215 1.00 0.00 H new ATOM 0 HE3 LYS A 2 41.319 50.355 -31.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 39.312 50.682 -29.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 40.344 52.019 -29.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 38.972 52.130 -30.696 1.00 0.00 H new ATOM 44 N LYS A 3 39.555 54.375 -36.820 1.00 0.00 N ATOM 45 CA LYS A 3 39.373 55.246 -38.014 1.00 0.00 C ATOM 46 C LYS A 3 39.177 56.694 -37.564 1.00 0.00 C ATOM 47 O LYS A 3 38.067 57.184 -37.490 1.00 0.00 O ATOM 48 CB LYS A 3 38.146 54.784 -38.801 1.00 0.00 C ATOM 49 CG LYS A 3 38.508 53.552 -39.633 1.00 0.00 C ATOM 50 CD LYS A 3 37.231 52.811 -40.035 1.00 0.00 C ATOM 51 CE LYS A 3 37.028 52.928 -41.547 1.00 0.00 C ATOM 52 NZ LYS A 3 36.625 51.604 -42.099 1.00 0.00 N ATOM 0 H LYS A 3 39.042 54.666 -35.987 1.00 0.00 H new ATOM 0 HA LYS A 3 40.256 55.180 -38.649 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.330 54.548 -38.118 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.795 55.585 -39.452 1.00 0.00 H new ATOM 0 HG2 LYS A 3 39.062 53.851 -40.523 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.159 52.892 -39.060 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.300 51.762 -39.747 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.374 53.230 -39.509 1.00 0.00 H new ATOM 0 HE2 LYS A 3 36.263 53.673 -41.765 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.948 53.267 -42.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.487 51.684 -43.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 37.370 50.905 -41.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.737 51.298 -41.653 1.00 0.00 H new ATOM 66 N VAL A 4 40.246 57.384 -37.268 1.00 0.00 N ATOM 67 CA VAL A 4 40.119 58.801 -36.826 1.00 0.00 C ATOM 68 C VAL A 4 39.159 59.527 -37.776 1.00 0.00 C ATOM 69 O VAL A 4 39.415 59.646 -38.957 1.00 0.00 O ATOM 70 CB VAL A 4 41.500 59.460 -36.858 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.960 59.627 -38.304 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.431 60.829 -36.190 1.00 0.00 C ATOM 0 H VAL A 4 41.200 57.027 -37.313 1.00 0.00 H new ATOM 0 HA VAL A 4 39.727 58.852 -35.810 1.00 0.00 H new ATOM 0 HB VAL A 4 42.208 58.828 -36.323 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.944 60.097 -38.321 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.016 58.650 -38.783 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.249 60.254 -38.842 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.416 61.296 -36.214 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.718 61.458 -36.723 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.110 60.713 -35.155 1.00 0.00 H new ATOM 82 N VAL A 5 38.038 59.986 -37.278 1.00 0.00 N ATOM 83 CA VAL A 5 37.056 60.669 -38.175 1.00 0.00 C ATOM 84 C VAL A 5 37.311 62.178 -38.248 1.00 0.00 C ATOM 85 O VAL A 5 37.525 62.834 -37.251 1.00 0.00 O ATOM 86 CB VAL A 5 35.635 60.408 -37.680 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.309 61.357 -36.534 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.662 60.646 -38.828 1.00 0.00 C ATOM 0 H VAL A 5 37.762 59.918 -36.298 1.00 0.00 H new ATOM 0 HA VAL A 5 37.179 60.260 -39.178 1.00 0.00 H new ATOM 0 HB VAL A 5 35.551 59.380 -37.328 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.294 61.168 -36.183 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.012 61.195 -35.717 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.387 62.387 -36.881 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.644 60.462 -38.486 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.749 61.677 -39.171 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.896 59.969 -39.650 1.00 0.00 H new ATOM 98 N ALA A 6 37.256 62.733 -39.425 1.00 0.00 N ATOM 99 CA ALA A 6 37.478 64.197 -39.575 1.00 0.00 C ATOM 100 C ALA A 6 36.555 64.973 -38.631 1.00 0.00 C ATOM 101 O ALA A 6 35.770 64.406 -37.898 1.00 0.00 O ATOM 102 CB ALA A 6 37.173 64.612 -41.016 1.00 0.00 C ATOM 0 H ALA A 6 37.066 62.233 -40.294 1.00 0.00 H new ATOM 0 HA ALA A 6 38.516 64.422 -39.330 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.335 65.684 -41.128 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.831 64.072 -41.697 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.135 64.375 -41.251 1.00 0.00 H new ATOM 108 N LEU A 7 36.649 66.275 -38.659 1.00 0.00 N ATOM 109 CA LEU A 7 35.790 67.119 -37.785 1.00 0.00 C ATOM 110 C LEU A 7 35.577 68.469 -38.464 1.00 0.00 C ATOM 111 O LEU A 7 34.465 68.926 -38.636 1.00 0.00 O ATOM 112 CB LEU A 7 36.494 67.340 -36.446 1.00 0.00 C ATOM 113 CG LEU A 7 35.518 67.122 -35.295 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.507 68.269 -35.256 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.781 65.794 -35.486 1.00 0.00 C ATOM 0 H LEU A 7 37.292 66.794 -39.257 1.00 0.00 H new ATOM 0 HA LEU A 7 34.832 66.626 -37.618 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.337 66.655 -36.353 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.899 68.351 -36.402 1.00 0.00 H new ATOM 0 HG LEU A 7 36.070 67.094 -34.356 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.810 68.112 -34.433 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.033 69.213 -35.111 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.957 68.301 -36.196 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.085 65.642 -34.661 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.230 65.815 -36.426 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.502 64.977 -35.507 1.00 0.00 H new ATOM 127 N TYR A 8 36.645 69.109 -38.851 1.00 0.00 N ATOM 128 CA TYR A 8 36.529 70.430 -39.522 1.00 0.00 C ATOM 129 C TYR A 8 37.333 70.401 -40.825 1.00 0.00 C ATOM 130 O TYR A 8 38.366 69.767 -40.911 1.00 0.00 O ATOM 131 CB TYR A 8 37.078 71.512 -38.593 1.00 0.00 C ATOM 132 CG TYR A 8 36.457 71.352 -37.224 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.071 71.467 -37.068 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.268 71.090 -36.112 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.494 71.320 -35.801 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.691 70.945 -34.845 1.00 0.00 C ATOM 137 CZ TYR A 8 35.304 71.060 -34.689 1.00 0.00 C ATOM 138 OH TYR A 8 34.735 70.917 -33.440 1.00 0.00 O ATOM 0 H TYR A 8 37.599 68.770 -38.730 1.00 0.00 H new ATOM 0 HA TYR A 8 35.485 70.647 -39.748 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.163 71.434 -38.525 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.854 72.501 -38.994 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.446 71.669 -37.925 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.337 71.000 -36.232 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.424 71.407 -35.681 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.316 70.744 -33.987 1.00 0.00 H new ATOM 0 HH TYR A 8 35.437 70.739 -32.779 1.00 0.00 H new ATOM 148 N ASP A 9 36.864 71.071 -41.841 1.00 0.00 N ATOM 149 CA ASP A 9 37.599 71.068 -43.137 1.00 0.00 C ATOM 150 C ASP A 9 39.029 71.567 -42.919 1.00 0.00 C ATOM 151 O ASP A 9 39.248 72.671 -42.463 1.00 0.00 O ATOM 152 CB ASP A 9 36.885 71.987 -44.131 1.00 0.00 C ATOM 153 CG ASP A 9 35.958 71.156 -45.019 1.00 0.00 C ATOM 154 OD1 ASP A 9 35.075 70.509 -44.478 1.00 0.00 O ATOM 155 OD2 ASP A 9 36.144 71.180 -46.223 1.00 0.00 O ATOM 0 H ASP A 9 36.004 71.620 -41.830 1.00 0.00 H new ATOM 0 HA ASP A 9 37.627 70.053 -43.534 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.311 72.744 -43.596 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.616 72.515 -44.744 1.00 0.00 H new ATOM 160 N TYR A 10 40.005 70.762 -43.245 1.00 0.00 N ATOM 161 CA TYR A 10 41.417 71.194 -43.058 1.00 0.00 C ATOM 162 C TYR A 10 42.218 70.875 -44.322 1.00 0.00 C ATOM 163 O TYR A 10 42.619 69.750 -44.547 1.00 0.00 O ATOM 164 CB TYR A 10 42.028 70.453 -41.868 1.00 0.00 C ATOM 165 CG TYR A 10 43.330 71.115 -41.485 1.00 0.00 C ATOM 166 CD1 TYR A 10 44.505 70.799 -42.176 1.00 0.00 C ATOM 167 CD2 TYR A 10 43.359 72.048 -40.442 1.00 0.00 C ATOM 168 CE1 TYR A 10 45.712 71.416 -41.822 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.565 72.665 -40.089 1.00 0.00 C ATOM 170 CZ TYR A 10 45.741 72.349 -40.778 1.00 0.00 C ATOM 171 OH TYR A 10 46.930 72.958 -40.432 1.00 0.00 O ATOM 0 H TYR A 10 39.884 69.826 -43.632 1.00 0.00 H new ATOM 0 HA TYR A 10 41.445 72.267 -42.869 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.338 70.465 -41.024 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.200 69.408 -42.125 1.00 0.00 H new ATOM 0 HD1 TYR A 10 44.481 70.080 -42.982 1.00 0.00 H new ATOM 0 HD2 TYR A 10 42.451 72.292 -39.910 1.00 0.00 H new ATOM 0 HE1 TYR A 10 46.620 71.172 -42.354 1.00 0.00 H new ATOM 0 HE2 TYR A 10 44.588 73.385 -39.285 1.00 0.00 H new ATOM 0 HH TYR A 10 46.776 73.579 -39.689 1.00 0.00 H new ATOM 181 N MET A 11 42.455 71.857 -45.149 1.00 0.00 N ATOM 182 CA MET A 11 43.228 71.612 -46.393 1.00 0.00 C ATOM 183 C MET A 11 44.727 71.622 -46.067 1.00 0.00 C ATOM 184 O MET A 11 45.188 72.467 -45.327 1.00 0.00 O ATOM 185 CB MET A 11 42.920 72.718 -47.407 1.00 0.00 C ATOM 186 CG MET A 11 43.860 72.588 -48.607 1.00 0.00 C ATOM 187 SD MET A 11 43.533 73.930 -49.776 1.00 0.00 S ATOM 188 CE MET A 11 45.251 74.243 -50.248 1.00 0.00 C ATOM 0 H MET A 11 42.145 72.819 -45.014 1.00 0.00 H new ATOM 0 HA MET A 11 42.951 70.645 -46.813 1.00 0.00 H new ATOM 0 HB2 MET A 11 41.883 72.647 -47.735 1.00 0.00 H new ATOM 0 HB3 MET A 11 43.041 73.696 -46.942 1.00 0.00 H new ATOM 0 HG2 MET A 11 44.898 72.625 -48.276 1.00 0.00 H new ATOM 0 HG3 MET A 11 43.715 71.624 -49.094 1.00 0.00 H new ATOM 0 HE1 MET A 11 45.286 75.052 -50.978 1.00 0.00 H new ATOM 0 HE2 MET A 11 45.825 74.526 -49.366 1.00 0.00 H new ATOM 0 HE3 MET A 11 45.678 73.341 -50.685 1.00 0.00 H new ATOM 198 N PRO A 12 45.444 70.679 -46.626 1.00 0.00 N ATOM 199 CA PRO A 12 46.895 70.557 -46.407 1.00 0.00 C ATOM 200 C PRO A 12 47.654 71.576 -47.262 1.00 0.00 C ATOM 201 O PRO A 12 47.249 71.904 -48.359 1.00 0.00 O ATOM 202 CB PRO A 12 47.207 69.127 -46.858 1.00 0.00 C ATOM 203 CG PRO A 12 46.068 68.715 -47.821 1.00 0.00 C ATOM 204 CD PRO A 12 44.880 69.650 -47.524 1.00 0.00 C ATOM 0 HA PRO A 12 47.190 70.748 -45.375 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.174 69.080 -47.358 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.256 68.452 -46.003 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.385 68.810 -48.859 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.789 67.673 -47.667 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.484 70.093 -48.438 1.00 0.00 H new ATOM 0 HD3 PRO A 12 44.060 69.113 -47.048 1.00 0.00 H new ATOM 211 N MET A 13 48.753 72.078 -46.768 1.00 0.00 N ATOM 212 CA MET A 13 49.536 73.074 -47.554 1.00 0.00 C ATOM 213 C MET A 13 50.215 72.372 -48.733 1.00 0.00 C ATOM 214 O MET A 13 50.824 73.002 -49.574 1.00 0.00 O ATOM 215 CB MET A 13 50.603 73.707 -46.656 1.00 0.00 C ATOM 216 CG MET A 13 49.955 74.764 -45.761 1.00 0.00 C ATOM 217 SD MET A 13 50.844 76.331 -45.940 1.00 0.00 S ATOM 218 CE MET A 13 52.425 75.776 -45.255 1.00 0.00 C ATOM 0 H MET A 13 49.142 71.842 -45.855 1.00 0.00 H new ATOM 0 HA MET A 13 48.867 73.850 -47.927 1.00 0.00 H new ATOM 0 HB2 MET A 13 51.080 72.941 -46.045 1.00 0.00 H new ATOM 0 HB3 MET A 13 51.384 74.161 -47.266 1.00 0.00 H new ATOM 0 HG2 MET A 13 48.908 74.894 -46.033 1.00 0.00 H new ATOM 0 HG3 MET A 13 49.976 74.438 -44.721 1.00 0.00 H new ATOM 0 HE1 MET A 13 52.978 76.635 -44.874 1.00 0.00 H new ATOM 0 HE2 MET A 13 52.243 75.072 -44.443 1.00 0.00 H new ATOM 0 HE3 MET A 13 53.008 75.286 -46.035 1.00 0.00 H new ATOM 228 N ASN A 14 50.117 71.073 -48.799 1.00 0.00 N ATOM 229 CA ASN A 14 50.758 70.332 -49.921 1.00 0.00 C ATOM 230 C ASN A 14 50.124 68.945 -50.040 1.00 0.00 C ATOM 231 O ASN A 14 48.983 68.741 -49.677 1.00 0.00 O ATOM 232 CB ASN A 14 52.256 70.187 -49.645 1.00 0.00 C ATOM 233 CG ASN A 14 53.050 70.597 -50.886 1.00 0.00 C ATOM 234 OD1 ASN A 14 52.585 71.383 -51.687 1.00 0.00 O ATOM 235 ND2 ASN A 14 54.238 70.094 -51.080 1.00 0.00 N ATOM 0 H ASN A 14 49.620 70.492 -48.124 1.00 0.00 H new ATOM 0 HA ASN A 14 50.612 70.880 -50.852 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.541 70.809 -48.797 1.00 0.00 H new ATOM 0 HB3 ASN A 14 52.488 69.156 -49.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 54.776 70.361 -51.904 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.628 69.434 -50.407 1.00 0.00 H new ATOM 242 N ALA A 15 50.856 67.988 -50.541 1.00 0.00 N ATOM 243 CA ALA A 15 50.294 66.616 -50.677 1.00 0.00 C ATOM 244 C ALA A 15 50.778 65.753 -49.511 1.00 0.00 C ATOM 245 O ALA A 15 51.504 64.795 -49.693 1.00 0.00 O ATOM 246 CB ALA A 15 50.761 66.001 -51.998 1.00 0.00 C ATOM 0 H ALA A 15 51.818 68.097 -50.862 1.00 0.00 H new ATOM 0 HA ALA A 15 49.205 66.665 -50.667 1.00 0.00 H new ATOM 0 HB1 ALA A 15 50.349 64.997 -52.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 50.417 66.618 -52.828 1.00 0.00 H new ATOM 0 HB3 ALA A 15 51.850 65.950 -52.011 1.00 0.00 H new ATOM 252 N ASN A 16 50.383 66.086 -48.311 1.00 0.00 N ATOM 253 CA ASN A 16 50.821 65.285 -47.133 1.00 0.00 C ATOM 254 C ASN A 16 49.615 64.987 -46.240 1.00 0.00 C ATOM 255 O ASN A 16 49.164 63.862 -46.144 1.00 0.00 O ATOM 256 CB ASN A 16 51.861 66.077 -46.337 1.00 0.00 C ATOM 257 CG ASN A 16 53.046 66.417 -47.242 1.00 0.00 C ATOM 258 OD1 ASN A 16 53.579 65.480 -47.978 1.00 0.00 O flip ATOM 259 ND2 ASN A 16 53.493 67.546 -47.279 1.00 0.00 N flip ATOM 0 H ASN A 16 49.776 66.878 -48.097 1.00 0.00 H new ATOM 0 HA ASN A 16 51.260 64.348 -47.475 1.00 0.00 H new ATOM 0 HB2 ASN A 16 51.415 66.991 -45.945 1.00 0.00 H new ATOM 0 HB3 ASN A 16 52.200 65.494 -45.480 1.00 0.00 H new ATOM 0 HD21 ASN A 16 53.077 68.278 -46.704 1.00 0.00 H new ATOM 0 HD22 ASN A 16 54.285 67.761 -47.885 1.00 0.00 H new ATOM 266 N ASP A 17 49.086 65.984 -45.586 1.00 0.00 N ATOM 267 CA ASP A 17 47.909 65.755 -44.702 1.00 0.00 C ATOM 268 C ASP A 17 46.675 65.476 -45.563 1.00 0.00 C ATOM 269 O ASP A 17 46.551 65.986 -46.659 1.00 0.00 O ATOM 270 CB ASP A 17 47.664 67.000 -43.846 1.00 0.00 C ATOM 271 CG ASP A 17 48.386 66.850 -42.506 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.606 66.823 -42.512 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.707 66.764 -41.495 1.00 0.00 O ATOM 0 H ASP A 17 49.418 66.948 -45.626 1.00 0.00 H new ATOM 0 HA ASP A 17 48.101 64.901 -44.053 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.022 67.888 -44.366 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.595 67.136 -43.682 1.00 0.00 H new ATOM 278 N LEU A 18 45.754 64.673 -45.087 1.00 0.00 N ATOM 279 CA LEU A 18 44.544 64.386 -45.906 1.00 0.00 C ATOM 280 C LEU A 18 43.507 65.482 -45.681 1.00 0.00 C ATOM 281 O LEU A 18 43.000 65.658 -44.593 1.00 0.00 O ATOM 282 CB LEU A 18 43.958 63.031 -45.481 1.00 0.00 C ATOM 283 CG LEU A 18 44.360 61.878 -46.430 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.428 62.306 -47.451 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.911 60.731 -45.586 1.00 0.00 C ATOM 0 H LEU A 18 45.790 64.211 -44.178 1.00 0.00 H new ATOM 0 HA LEU A 18 44.813 64.354 -46.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.293 62.797 -44.470 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.871 63.105 -45.447 1.00 0.00 H new ATOM 0 HG LEU A 18 43.475 61.575 -46.989 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.676 61.461 -48.094 1.00 0.00 H new ATOM 0 HD12 LEU A 18 45.043 63.124 -48.059 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.323 62.636 -46.924 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.201 59.906 -46.237 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.781 61.076 -45.028 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.145 60.391 -44.889 1.00 0.00 H new ATOM 297 N GLN A 19 43.184 66.220 -46.708 1.00 0.00 N ATOM 298 CA GLN A 19 42.170 67.299 -46.550 1.00 0.00 C ATOM 299 C GLN A 19 40.956 66.715 -45.832 1.00 0.00 C ATOM 300 O GLN A 19 40.484 65.647 -46.167 1.00 0.00 O ATOM 301 CB GLN A 19 41.754 67.825 -47.926 1.00 0.00 C ATOM 302 CG GLN A 19 40.767 68.981 -47.755 1.00 0.00 C ATOM 303 CD GLN A 19 40.818 69.883 -48.989 1.00 0.00 C ATOM 304 OE1 GLN A 19 41.035 71.074 -48.878 1.00 0.00 O ATOM 305 NE2 GLN A 19 40.627 69.363 -50.170 1.00 0.00 N ATOM 0 H GLN A 19 43.576 66.123 -47.644 1.00 0.00 H new ATOM 0 HA GLN A 19 42.587 68.124 -45.972 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.631 68.161 -48.479 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.297 67.026 -48.509 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.758 68.594 -47.616 1.00 0.00 H new ATOM 0 HG3 GLN A 19 41.014 69.555 -46.862 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.445 68.364 -50.264 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.660 69.956 -51.000 1.00 0.00 H new ATOM 314 N LEU A 20 40.456 67.387 -44.835 1.00 0.00 N ATOM 315 CA LEU A 20 39.290 66.836 -44.097 1.00 0.00 C ATOM 316 C LEU A 20 37.981 67.288 -44.734 1.00 0.00 C ATOM 317 O LEU A 20 37.900 68.321 -45.368 1.00 0.00 O ATOM 318 CB LEU A 20 39.336 67.301 -42.644 1.00 0.00 C ATOM 319 CG LEU A 20 40.566 66.718 -41.935 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.215 66.468 -40.475 1.00 0.00 C ATOM 321 CD2 LEU A 20 40.997 65.389 -42.574 1.00 0.00 C ATOM 0 H LEU A 20 40.801 68.287 -44.502 1.00 0.00 H new ATOM 0 HA LEU A 20 39.339 65.748 -44.139 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.368 68.390 -42.605 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.428 66.990 -42.127 1.00 0.00 H new ATOM 0 HG LEU A 20 41.388 67.428 -42.024 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.081 66.053 -39.959 1.00 0.00 H new ATOM 0 HD12 LEU A 20 39.927 67.408 -40.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.385 65.764 -40.416 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.871 65.000 -42.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.181 64.670 -42.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.245 65.553 -43.623 1.00 0.00 H new ATOM 333 N ARG A 21 36.952 66.514 -44.549 1.00 0.00 N ATOM 334 CA ARG A 21 35.623 66.873 -45.116 1.00 0.00 C ATOM 335 C ARG A 21 34.569 66.668 -44.035 1.00 0.00 C ATOM 336 O ARG A 21 33.407 66.452 -44.309 1.00 0.00 O ATOM 337 CB ARG A 21 35.313 65.984 -46.322 1.00 0.00 C ATOM 338 CG ARG A 21 35.381 66.818 -47.603 1.00 0.00 C ATOM 339 CD ARG A 21 35.513 65.887 -48.811 1.00 0.00 C ATOM 340 NE ARG A 21 34.178 65.319 -49.148 1.00 0.00 N ATOM 341 CZ ARG A 21 33.572 65.682 -50.246 1.00 0.00 C ATOM 342 NH1 ARG A 21 33.673 66.912 -50.670 1.00 0.00 N ATOM 343 NH2 ARG A 21 32.867 64.816 -50.920 1.00 0.00 N ATOM 0 H ARG A 21 36.974 65.639 -44.024 1.00 0.00 H new ATOM 0 HA ARG A 21 35.625 67.912 -45.444 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.026 65.161 -46.373 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.323 65.542 -46.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.485 67.431 -47.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.230 67.500 -47.561 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.913 66.435 -49.664 1.00 0.00 H new ATOM 0 HD3 ARG A 21 36.216 65.084 -48.590 1.00 0.00 H new ATOM 0 HE ARG A 21 33.737 64.646 -48.521 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.225 67.589 -50.144 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.200 67.196 -51.528 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.789 63.854 -50.589 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.394 65.101 -51.778 1.00 0.00 H new ATOM 357 N LYS A 22 34.992 66.746 -42.808 1.00 0.00 N ATOM 358 CA LYS A 22 34.068 66.571 -41.651 1.00 0.00 C ATOM 359 C LYS A 22 33.015 65.504 -41.957 1.00 0.00 C ATOM 360 O LYS A 22 32.024 65.764 -42.610 1.00 0.00 O ATOM 361 CB LYS A 22 33.361 67.890 -41.348 1.00 0.00 C ATOM 362 CG LYS A 22 34.332 69.052 -41.538 1.00 0.00 C ATOM 363 CD LYS A 22 33.539 70.353 -41.701 1.00 0.00 C ATOM 364 CE LYS A 22 32.639 70.563 -40.482 1.00 0.00 C ATOM 365 NZ LYS A 22 32.266 72.003 -40.383 1.00 0.00 N ATOM 0 H LYS A 22 35.962 66.928 -42.550 1.00 0.00 H new ATOM 0 HA LYS A 22 34.657 66.256 -40.789 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.501 68.012 -42.006 1.00 0.00 H new ATOM 0 HB3 LYS A 22 32.982 67.884 -40.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.001 69.126 -40.681 1.00 0.00 H new ATOM 0 HG3 LYS A 22 34.955 68.880 -42.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.222 71.195 -41.811 1.00 0.00 H new ATOM 0 HD3 LYS A 22 32.936 70.312 -42.608 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.743 69.949 -40.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.156 70.247 -39.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.654 72.147 -39.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.126 72.578 -40.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.757 72.290 -41.243 1.00 0.00 H new ATOM 379 N GLY A 23 33.214 64.309 -41.484 1.00 0.00 N ATOM 380 CA GLY A 23 32.220 63.234 -41.746 1.00 0.00 C ATOM 381 C GLY A 23 32.966 61.984 -42.186 1.00 0.00 C ATOM 382 O GLY A 23 33.080 61.025 -41.450 1.00 0.00 O ATOM 0 H GLY A 23 34.022 64.029 -40.927 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.637 63.031 -40.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.518 63.548 -42.518 1.00 0.00 H new ATOM 386 N ASP A 24 33.503 61.993 -43.373 1.00 0.00 N ATOM 387 CA ASP A 24 34.267 60.810 -43.832 1.00 0.00 C ATOM 388 C ASP A 24 35.257 60.449 -42.731 1.00 0.00 C ATOM 389 O ASP A 24 35.793 61.313 -42.070 1.00 0.00 O ATOM 390 CB ASP A 24 35.027 61.154 -45.115 1.00 0.00 C ATOM 391 CG ASP A 24 34.038 61.305 -46.271 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.848 61.329 -46.008 1.00 0.00 O ATOM 393 OD2 ASP A 24 34.488 61.393 -47.403 1.00 0.00 O ATOM 0 H ASP A 24 33.445 62.764 -44.038 1.00 0.00 H new ATOM 0 HA ASP A 24 33.598 59.975 -44.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.589 62.078 -44.980 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.751 60.371 -45.342 1.00 0.00 H new ATOM 398 N GLU A 25 35.501 59.194 -42.506 1.00 0.00 N ATOM 399 CA GLU A 25 36.455 58.826 -41.427 1.00 0.00 C ATOM 400 C GLU A 25 37.827 58.560 -42.029 1.00 0.00 C ATOM 401 O GLU A 25 37.997 58.514 -43.231 1.00 0.00 O ATOM 402 CB GLU A 25 35.955 57.579 -40.698 1.00 0.00 C ATOM 403 CG GLU A 25 34.520 57.806 -40.220 1.00 0.00 C ATOM 404 CD GLU A 25 33.819 56.458 -40.045 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.963 55.621 -40.921 1.00 0.00 O ATOM 406 OE2 GLU A 25 33.149 56.287 -39.041 1.00 0.00 O ATOM 0 H GLU A 25 35.087 58.413 -43.015 1.00 0.00 H new ATOM 0 HA GLU A 25 36.529 59.647 -40.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.996 56.716 -41.363 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.601 57.358 -39.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.522 58.352 -39.276 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.978 58.418 -40.941 1.00 0.00 H new ATOM 413 N TYR A 26 38.813 58.403 -41.197 1.00 0.00 N ATOM 414 CA TYR A 26 40.183 58.160 -41.707 1.00 0.00 C ATOM 415 C TYR A 26 40.796 56.967 -40.963 1.00 0.00 C ATOM 416 O TYR A 26 40.986 56.997 -39.763 1.00 0.00 O ATOM 417 CB TYR A 26 41.021 59.423 -41.479 1.00 0.00 C ATOM 418 CG TYR A 26 40.328 60.621 -42.105 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.071 61.044 -41.642 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.945 61.308 -43.157 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.442 62.146 -42.236 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.310 62.406 -43.746 1.00 0.00 C ATOM 423 CZ TYR A 26 39.060 62.824 -43.286 1.00 0.00 C ATOM 424 OH TYR A 26 38.434 63.904 -43.871 1.00 0.00 O ATOM 0 H TYR A 26 38.727 58.433 -40.181 1.00 0.00 H new ATOM 0 HA TYR A 26 40.159 57.931 -42.772 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.161 59.590 -40.411 1.00 0.00 H new ATOM 0 HB3 TYR A 26 42.012 59.296 -41.914 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.590 60.520 -40.829 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.913 60.990 -43.514 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.476 62.471 -41.880 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.788 62.932 -44.559 1.00 0.00 H new ATOM 0 HH TYR A 26 38.432 63.793 -44.845 1.00 0.00 H new ATOM 434 N PHE A 27 41.104 55.914 -41.675 1.00 0.00 N ATOM 435 CA PHE A 27 41.703 54.709 -41.032 1.00 0.00 C ATOM 436 C PHE A 27 43.203 54.919 -40.910 1.00 0.00 C ATOM 437 O PHE A 27 43.858 55.302 -41.855 1.00 0.00 O ATOM 438 CB PHE A 27 41.424 53.475 -41.892 1.00 0.00 C ATOM 439 CG PHE A 27 42.132 52.279 -41.302 1.00 0.00 C ATOM 440 CD1 PHE A 27 41.525 51.540 -40.281 1.00 0.00 C ATOM 441 CD2 PHE A 27 43.396 51.910 -41.778 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.182 50.431 -39.733 1.00 0.00 C ATOM 443 CE2 PHE A 27 44.053 50.801 -41.231 1.00 0.00 C ATOM 444 CZ PHE A 27 43.445 50.062 -40.209 1.00 0.00 C ATOM 0 H PHE A 27 40.965 55.838 -42.683 1.00 0.00 H new ATOM 0 HA PHE A 27 41.267 54.558 -40.044 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.351 53.288 -41.941 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.765 53.646 -42.913 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.550 51.825 -39.915 1.00 0.00 H new ATOM 0 HD2 PHE A 27 43.864 52.480 -42.567 1.00 0.00 H new ATOM 0 HE1 PHE A 27 41.714 49.861 -38.944 1.00 0.00 H new ATOM 0 HE2 PHE A 27 45.028 50.516 -41.597 1.00 0.00 H new ATOM 0 HZ PHE A 27 43.951 49.206 -39.788 1.00 0.00 H new ATOM 454 N ILE A 28 43.752 54.682 -39.755 1.00 0.00 N ATOM 455 CA ILE A 28 45.207 54.904 -39.577 1.00 0.00 C ATOM 456 C ILE A 28 45.993 53.738 -40.139 1.00 0.00 C ATOM 457 O ILE A 28 45.834 52.599 -39.748 1.00 0.00 O ATOM 458 CB ILE A 28 45.509 55.077 -38.093 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.478 56.031 -37.464 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.915 55.655 -37.933 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.036 57.099 -38.480 1.00 0.00 C ATOM 0 H ILE A 28 43.257 54.345 -38.929 1.00 0.00 H new ATOM 0 HA ILE A 28 45.502 55.804 -40.116 1.00 0.00 H new ATOM 0 HB ILE A 28 45.452 54.111 -37.591 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.611 55.465 -37.124 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.909 56.513 -36.586 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.138 55.782 -36.874 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.641 54.974 -38.378 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.970 56.622 -38.433 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.307 57.763 -38.016 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.903 57.678 -38.800 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.585 56.613 -39.345 1.00 0.00 H new ATOM 473 N LEU A 29 46.836 54.036 -41.080 1.00 0.00 N ATOM 474 CA LEU A 29 47.651 52.991 -41.727 1.00 0.00 C ATOM 475 C LEU A 29 49.091 53.075 -41.215 1.00 0.00 C ATOM 476 O LEU A 29 49.999 52.523 -41.802 1.00 0.00 O ATOM 477 CB LEU A 29 47.610 53.229 -43.236 1.00 0.00 C ATOM 478 CG LEU A 29 48.444 54.460 -43.590 1.00 0.00 C ATOM 479 CD1 LEU A 29 49.556 54.062 -44.559 1.00 0.00 C ATOM 480 CD2 LEU A 29 47.543 55.507 -44.251 1.00 0.00 C ATOM 0 H LEU A 29 46.995 54.980 -41.432 1.00 0.00 H new ATOM 0 HA LEU A 29 47.261 52.000 -41.496 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.994 52.355 -43.762 1.00 0.00 H new ATOM 0 HB3 LEU A 29 46.580 53.370 -43.563 1.00 0.00 H new ATOM 0 HG LEU A 29 48.885 54.875 -42.684 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.150 54.940 -44.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.195 53.313 -44.091 1.00 0.00 H new ATOM 0 HD13 LEU A 29 49.117 53.648 -45.467 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.134 56.387 -44.505 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.105 55.090 -45.158 1.00 0.00 H new ATOM 0 HD23 LEU A 29 46.748 55.791 -43.561 1.00 0.00 H new ATOM 492 N GLU A 30 49.312 53.761 -40.119 1.00 0.00 N ATOM 493 CA GLU A 30 50.702 53.866 -39.589 1.00 0.00 C ATOM 494 C GLU A 30 50.707 54.623 -38.257 1.00 0.00 C ATOM 495 O GLU A 30 51.217 54.144 -37.264 1.00 0.00 O ATOM 496 CB GLU A 30 51.577 54.609 -40.598 1.00 0.00 C ATOM 497 CG GLU A 30 52.844 53.796 -40.873 1.00 0.00 C ATOM 498 CD GLU A 30 52.866 53.368 -42.341 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.170 54.204 -43.177 1.00 0.00 O ATOM 500 OE2 GLU A 30 52.580 52.212 -42.605 1.00 0.00 O ATOM 0 H GLU A 30 48.597 54.246 -39.576 1.00 0.00 H new ATOM 0 HA GLU A 30 51.095 52.862 -39.428 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.026 54.768 -41.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.841 55.593 -40.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.728 54.391 -40.643 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.874 52.919 -40.227 1.00 0.00 H new ATOM 507 N GLU A 31 50.153 55.805 -38.230 1.00 0.00 N ATOM 508 CA GLU A 31 50.138 56.591 -36.962 1.00 0.00 C ATOM 509 C GLU A 31 51.575 56.889 -36.530 1.00 0.00 C ATOM 510 O GLU A 31 52.400 56.002 -36.426 1.00 0.00 O ATOM 511 CB GLU A 31 49.429 55.789 -35.868 1.00 0.00 C ATOM 512 CG GLU A 31 49.625 56.483 -34.519 1.00 0.00 C ATOM 513 CD GLU A 31 48.373 56.294 -33.660 1.00 0.00 C ATOM 514 OE1 GLU A 31 47.710 55.284 -33.829 1.00 0.00 O ATOM 515 OE2 GLU A 31 48.099 57.162 -32.848 1.00 0.00 O ATOM 0 H GLU A 31 49.711 56.260 -39.029 1.00 0.00 H new ATOM 0 HA GLU A 31 49.606 57.528 -37.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 48.366 55.705 -36.095 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.828 54.775 -35.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.495 56.070 -34.009 1.00 0.00 H new ATOM 0 HG3 GLU A 31 49.819 57.545 -34.669 1.00 0.00 H new ATOM 522 N SER A 32 51.885 58.134 -36.280 1.00 0.00 N ATOM 523 CA SER A 32 53.271 58.488 -35.858 1.00 0.00 C ATOM 524 C SER A 32 53.253 59.031 -34.427 1.00 0.00 C ATOM 525 O SER A 32 52.346 58.766 -33.664 1.00 0.00 O ATOM 526 CB SER A 32 53.833 59.551 -36.801 1.00 0.00 C ATOM 527 OG SER A 32 53.464 59.237 -38.137 1.00 0.00 O ATOM 0 H SER A 32 51.239 58.920 -36.350 1.00 0.00 H new ATOM 0 HA SER A 32 53.899 57.598 -35.896 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.451 60.535 -36.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.918 59.595 -36.712 1.00 0.00 H new ATOM 0 HG SER A 32 53.822 59.918 -38.744 1.00 0.00 H new ATOM 533 N ASN A 33 54.252 59.788 -34.057 1.00 0.00 N ATOM 534 CA ASN A 33 54.297 60.345 -32.674 1.00 0.00 C ATOM 535 C ASN A 33 53.595 61.705 -32.640 1.00 0.00 C ATOM 536 O ASN A 33 52.973 62.069 -31.661 1.00 0.00 O ATOM 537 CB ASN A 33 55.755 60.517 -32.243 1.00 0.00 C ATOM 538 CG ASN A 33 56.534 61.228 -33.350 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.506 62.438 -33.448 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.235 60.522 -34.195 1.00 0.00 N ATOM 0 H ASN A 33 55.039 60.045 -34.653 1.00 0.00 H new ATOM 0 HA ASN A 33 53.790 59.660 -31.994 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.807 61.094 -31.319 1.00 0.00 H new ATOM 0 HB3 ASN A 33 56.201 59.544 -32.037 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.759 60.987 -34.937 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.259 59.506 -34.114 1.00 0.00 H new ATOM 547 N LEU A 34 53.684 62.457 -33.702 1.00 0.00 N ATOM 548 CA LEU A 34 53.012 63.793 -33.727 1.00 0.00 C ATOM 549 C LEU A 34 51.504 63.583 -33.530 1.00 0.00 C ATOM 550 O LEU A 34 51.073 62.470 -33.300 1.00 0.00 O ATOM 551 CB LEU A 34 53.284 64.488 -35.070 1.00 0.00 C ATOM 552 CG LEU A 34 54.634 64.038 -35.634 1.00 0.00 C ATOM 553 CD1 LEU A 34 54.410 62.956 -36.692 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.341 65.235 -36.274 1.00 0.00 C ATOM 0 H LEU A 34 54.190 62.208 -34.552 1.00 0.00 H new ATOM 0 HA LEU A 34 53.402 64.425 -32.929 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.489 64.252 -35.778 1.00 0.00 H new ATOM 0 HB3 LEU A 34 53.280 65.570 -34.935 1.00 0.00 H new ATOM 0 HG LEU A 34 55.249 63.637 -34.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 55.371 62.635 -37.094 1.00 0.00 H new ATOM 0 HD12 LEU A 34 53.904 62.104 -36.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.795 63.357 -37.498 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.303 64.917 -36.676 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.724 65.634 -37.080 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.500 66.008 -35.522 1.00 0.00 H new ATOM 566 N PRO A 35 50.738 64.644 -33.617 1.00 0.00 N ATOM 567 CA PRO A 35 49.280 64.570 -33.440 1.00 0.00 C ATOM 568 C PRO A 35 48.628 64.036 -34.715 1.00 0.00 C ATOM 569 O PRO A 35 47.629 63.345 -34.672 1.00 0.00 O ATOM 570 CB PRO A 35 48.871 66.019 -33.165 1.00 0.00 C ATOM 571 CG PRO A 35 49.998 66.908 -33.742 1.00 0.00 C ATOM 572 CD PRO A 35 51.239 66.007 -33.901 1.00 0.00 C ATOM 0 HA PRO A 35 48.972 63.899 -32.638 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.915 66.249 -33.636 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.749 66.192 -32.096 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.703 67.332 -34.702 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.210 67.744 -33.076 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.655 66.077 -34.906 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.030 66.293 -33.208 1.00 0.00 H new ATOM 579 N TRP A 36 49.195 64.339 -35.849 1.00 0.00 N ATOM 580 CA TRP A 36 48.618 63.834 -37.123 1.00 0.00 C ATOM 581 C TRP A 36 49.064 62.384 -37.310 1.00 0.00 C ATOM 582 O TRP A 36 50.182 62.029 -36.991 1.00 0.00 O ATOM 583 CB TRP A 36 49.121 64.679 -38.299 1.00 0.00 C ATOM 584 CG TRP A 36 49.428 66.069 -37.836 1.00 0.00 C ATOM 585 CD1 TRP A 36 48.699 66.770 -36.938 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.531 66.935 -38.232 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.283 68.011 -36.759 1.00 0.00 N ATOM 588 CE2 TRP A 36 50.415 68.160 -37.534 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.610 66.778 -39.121 1.00 0.00 C ATOM 590 CZ2 TRP A 36 51.337 69.193 -37.712 1.00 0.00 C ATOM 591 CZ3 TRP A 36 52.539 67.815 -39.301 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.402 69.020 -38.599 1.00 0.00 C ATOM 0 H TRP A 36 50.032 64.914 -35.948 1.00 0.00 H new ATOM 0 HA TRP A 36 47.530 63.896 -37.088 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.014 64.224 -38.729 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.367 64.707 -39.086 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.807 66.418 -36.442 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.921 68.728 -36.131 1.00 0.00 H new ATOM 0 HE3 TRP A 36 51.724 65.854 -39.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 51.228 70.119 -37.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 53.364 67.683 -39.985 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.119 69.814 -38.744 1.00 0.00 H new ATOM 603 N TRP A 37 48.211 61.539 -37.818 1.00 0.00 N ATOM 604 CA TRP A 37 48.614 60.119 -38.009 1.00 0.00 C ATOM 605 C TRP A 37 48.837 59.849 -39.490 1.00 0.00 C ATOM 606 O TRP A 37 48.950 60.757 -40.286 1.00 0.00 O ATOM 607 CB TRP A 37 47.512 59.192 -37.494 1.00 0.00 C ATOM 608 CG TRP A 37 47.004 59.694 -36.184 1.00 0.00 C ATOM 609 CD1 TRP A 37 45.706 59.931 -35.901 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.754 60.017 -34.977 1.00 0.00 C ATOM 611 NE1 TRP A 37 45.607 60.384 -34.598 1.00 0.00 N ATOM 612 CE2 TRP A 37 46.844 60.453 -33.986 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.121 59.975 -34.650 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.275 60.835 -32.714 1.00 0.00 C ATOM 615 CZ3 TRP A 37 49.559 60.359 -33.370 1.00 0.00 C ATOM 616 CH2 TRP A 37 48.636 60.788 -32.406 1.00 0.00 C ATOM 0 H TRP A 37 47.260 61.768 -38.107 1.00 0.00 H new ATOM 0 HA TRP A 37 49.534 59.933 -37.455 1.00 0.00 H new ATOM 0 HB2 TRP A 37 46.697 59.143 -38.216 1.00 0.00 H new ATOM 0 HB3 TRP A 37 47.899 58.179 -37.381 1.00 0.00 H new ATOM 0 HD1 TRP A 37 44.879 59.790 -36.581 1.00 0.00 H new ATOM 0 HE1 TRP A 37 44.729 60.636 -34.145 1.00 0.00 H new ATOM 0 HE3 TRP A 37 49.839 59.646 -35.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 46.561 61.164 -31.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 50.611 60.323 -33.129 1.00 0.00 H new ATOM 0 HH2 TRP A 37 48.978 61.082 -31.425 1.00 0.00 H new ATOM 627 N ARG A 38 48.878 58.603 -39.862 1.00 0.00 N ATOM 628 CA ARG A 38 49.068 58.247 -41.294 1.00 0.00 C ATOM 629 C ARG A 38 47.871 57.409 -41.717 1.00 0.00 C ATOM 630 O ARG A 38 47.823 56.217 -41.493 1.00 0.00 O ATOM 631 CB ARG A 38 50.357 57.438 -41.463 1.00 0.00 C ATOM 632 CG ARG A 38 51.566 58.356 -41.267 1.00 0.00 C ATOM 633 CD ARG A 38 52.519 58.205 -42.454 1.00 0.00 C ATOM 634 NE ARG A 38 53.652 57.315 -42.073 1.00 0.00 N ATOM 635 CZ ARG A 38 54.567 57.011 -42.952 1.00 0.00 C ATOM 636 NH1 ARG A 38 54.287 57.050 -44.226 1.00 0.00 N ATOM 637 NH2 ARG A 38 55.764 56.670 -42.557 1.00 0.00 N ATOM 0 H ARG A 38 48.787 57.808 -39.230 1.00 0.00 H new ATOM 0 HA ARG A 38 49.146 59.145 -41.907 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.385 56.623 -40.740 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.388 56.986 -42.454 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.239 59.392 -41.179 1.00 0.00 H new ATOM 0 HG3 ARG A 38 52.081 58.104 -40.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.988 57.789 -43.310 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.896 59.182 -42.758 1.00 0.00 H new ATOM 0 HE ARG A 38 53.712 56.943 -41.125 1.00 0.00 H new ATOM 0 HH11 ARG A 38 53.353 57.318 -44.535 1.00 0.00 H new ATOM 0 HH12 ARG A 38 55.003 56.812 -44.913 1.00 0.00 H new ATOM 0 HH21 ARG A 38 55.984 56.641 -41.561 1.00 0.00 H new ATOM 0 HH22 ARG A 38 56.479 56.432 -43.244 1.00 0.00 H new ATOM 651 N ALA A 39 46.880 58.029 -42.286 1.00 0.00 N ATOM 652 CA ALA A 39 45.665 57.272 -42.674 1.00 0.00 C ATOM 653 C ALA A 39 45.254 57.603 -44.107 1.00 0.00 C ATOM 654 O ALA A 39 45.807 58.475 -44.746 1.00 0.00 O ATOM 655 CB ALA A 39 44.529 57.696 -41.740 1.00 0.00 C ATOM 0 H ALA A 39 46.859 59.026 -42.499 1.00 0.00 H new ATOM 0 HA ALA A 39 45.869 56.204 -42.603 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.621 57.154 -42.003 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.802 57.469 -40.709 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.355 58.767 -41.842 1.00 0.00 H new ATOM 661 N ARG A 40 44.253 56.924 -44.594 1.00 0.00 N ATOM 662 CA ARG A 40 43.746 57.194 -45.965 1.00 0.00 C ATOM 663 C ARG A 40 42.310 57.691 -45.827 1.00 0.00 C ATOM 664 O ARG A 40 41.394 56.919 -45.623 1.00 0.00 O ATOM 665 CB ARG A 40 43.775 55.906 -46.791 1.00 0.00 C ATOM 666 CG ARG A 40 43.053 56.134 -48.119 1.00 0.00 C ATOM 667 CD ARG A 40 42.830 54.791 -48.817 1.00 0.00 C ATOM 668 NE ARG A 40 44.033 54.445 -49.625 1.00 0.00 N ATOM 669 CZ ARG A 40 44.328 53.195 -49.854 1.00 0.00 C ATOM 670 NH1 ARG A 40 45.453 52.698 -49.416 1.00 0.00 N ATOM 671 NH2 ARG A 40 43.497 52.440 -50.520 1.00 0.00 N ATOM 0 H ARG A 40 43.760 56.185 -44.093 1.00 0.00 H new ATOM 0 HA ARG A 40 44.365 57.937 -46.469 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.806 55.602 -46.973 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.296 55.097 -46.239 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.097 56.628 -47.945 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.642 56.794 -48.756 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.639 54.013 -48.078 1.00 0.00 H new ATOM 0 HD3 ARG A 40 41.951 54.844 -49.459 1.00 0.00 H new ATOM 0 HE ARG A 40 44.626 55.186 -49.999 1.00 0.00 H new ATOM 0 HH11 ARG A 40 46.102 53.287 -48.894 1.00 0.00 H new ATOM 0 HH12 ARG A 40 45.683 51.721 -49.595 1.00 0.00 H new ATOM 0 HH21 ARG A 40 42.617 52.827 -50.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.727 51.463 -50.699 1.00 0.00 H new ATOM 685 N ASP A 41 42.104 58.975 -45.906 1.00 0.00 N ATOM 686 CA ASP A 41 40.722 59.511 -45.743 1.00 0.00 C ATOM 687 C ASP A 41 39.748 58.717 -46.608 1.00 0.00 C ATOM 688 O ASP A 41 40.136 57.863 -47.381 1.00 0.00 O ATOM 689 CB ASP A 41 40.684 60.979 -46.156 1.00 0.00 C ATOM 690 CG ASP A 41 40.994 61.101 -47.649 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.539 60.158 -48.199 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.682 62.135 -48.217 1.00 0.00 O ATOM 0 H ASP A 41 42.827 59.674 -46.075 1.00 0.00 H new ATOM 0 HA ASP A 41 40.431 59.420 -44.697 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.702 61.402 -45.943 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.410 61.549 -45.576 1.00 0.00 H new ATOM 697 N LYS A 42 38.483 59.000 -46.483 1.00 0.00 N ATOM 698 CA LYS A 42 37.471 58.267 -47.298 1.00 0.00 C ATOM 699 C LYS A 42 37.558 58.736 -48.751 1.00 0.00 C ATOM 700 O LYS A 42 36.935 58.176 -49.631 1.00 0.00 O ATOM 701 CB LYS A 42 36.068 58.546 -46.755 1.00 0.00 C ATOM 702 CG LYS A 42 35.081 57.544 -47.360 1.00 0.00 C ATOM 703 CD LYS A 42 34.159 57.008 -46.262 1.00 0.00 C ATOM 704 CE LYS A 42 32.701 57.236 -46.665 1.00 0.00 C ATOM 705 NZ LYS A 42 32.248 58.563 -46.162 1.00 0.00 N ATOM 0 H LYS A 42 38.104 59.707 -45.853 1.00 0.00 H new ATOM 0 HA LYS A 42 37.669 57.197 -47.245 1.00 0.00 H new ATOM 0 HB2 LYS A 42 36.064 58.466 -45.668 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.767 59.564 -47.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.492 58.024 -48.142 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.622 56.722 -47.828 1.00 0.00 H new ATOM 0 HD2 LYS A 42 34.342 55.945 -46.105 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.370 57.511 -45.318 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.601 57.193 -47.750 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.072 56.446 -46.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.488 58.429 -45.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.047 59.055 -45.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.893 59.133 -46.956 1.00 0.00 H new ATOM 719 N ASN A 43 38.331 59.755 -49.010 1.00 0.00 N ATOM 720 CA ASN A 43 38.461 60.252 -50.407 1.00 0.00 C ATOM 721 C ASN A 43 39.446 59.365 -51.170 1.00 0.00 C ATOM 722 O ASN A 43 39.803 59.645 -52.296 1.00 0.00 O ATOM 723 CB ASN A 43 38.980 61.692 -50.391 1.00 0.00 C ATOM 724 CG ASN A 43 38.375 62.465 -51.565 1.00 0.00 C ATOM 725 OD1 ASN A 43 38.092 63.641 -51.451 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.165 61.849 -52.696 1.00 0.00 N ATOM 0 H ASN A 43 38.877 60.264 -48.315 1.00 0.00 H new ATOM 0 HA ASN A 43 37.487 60.223 -50.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.717 62.174 -49.450 1.00 0.00 H new ATOM 0 HB3 ASN A 43 40.068 61.699 -50.459 1.00 0.00 H new ATOM 0 HD21 ASN A 43 37.763 62.355 -53.485 1.00 0.00 H new ATOM 0 HD22 ASN A 43 38.403 60.862 -52.791 1.00 0.00 H new ATOM 733 N GLY A 44 39.890 58.296 -50.565 1.00 0.00 N ATOM 734 CA GLY A 44 40.850 57.396 -51.259 1.00 0.00 C ATOM 735 C GLY A 44 42.191 58.110 -51.409 1.00 0.00 C ATOM 736 O GLY A 44 42.816 58.064 -52.449 1.00 0.00 O ATOM 0 H GLY A 44 39.629 58.009 -49.622 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.977 56.474 -50.692 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.462 57.117 -52.239 1.00 0.00 H new ATOM 740 N GLN A 45 42.640 58.772 -50.377 1.00 0.00 N ATOM 741 CA GLN A 45 43.938 59.483 -50.461 1.00 0.00 C ATOM 742 C GLN A 45 44.727 59.213 -49.186 1.00 0.00 C ATOM 743 O GLN A 45 44.299 59.548 -48.097 1.00 0.00 O ATOM 744 CB GLN A 45 43.691 60.987 -50.604 1.00 0.00 C ATOM 745 CG GLN A 45 45.007 61.691 -50.940 1.00 0.00 C ATOM 746 CD GLN A 45 44.711 63.019 -51.640 1.00 0.00 C ATOM 747 OE1 GLN A 45 45.102 64.068 -51.167 1.00 0.00 O ATOM 748 NE2 GLN A 45 44.033 63.018 -52.754 1.00 0.00 N ATOM 0 H GLN A 45 42.160 58.848 -49.480 1.00 0.00 H new ATOM 0 HA GLN A 45 44.499 59.131 -51.326 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.957 61.173 -51.388 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.278 61.388 -49.678 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.580 61.867 -50.030 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.617 61.057 -51.583 1.00 0.00 H new ATOM 0 HE21 GLN A 45 43.705 62.137 -53.151 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.831 63.898 -53.229 1.00 0.00 H new ATOM 757 N GLU A 46 45.874 58.610 -49.311 1.00 0.00 N ATOM 758 CA GLU A 46 46.694 58.321 -48.108 1.00 0.00 C ATOM 759 C GLU A 46 47.432 59.596 -47.713 1.00 0.00 C ATOM 760 O GLU A 46 48.053 60.244 -48.532 1.00 0.00 O ATOM 761 CB GLU A 46 47.697 57.213 -48.425 1.00 0.00 C ATOM 762 CG GLU A 46 46.987 56.098 -49.195 1.00 0.00 C ATOM 763 CD GLU A 46 48.011 55.056 -49.647 1.00 0.00 C ATOM 764 OE1 GLU A 46 49.106 55.450 -50.013 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.685 53.880 -49.619 1.00 0.00 O ATOM 0 H GLU A 46 46.278 58.305 -50.196 1.00 0.00 H new ATOM 0 HA GLU A 46 46.058 57.991 -47.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.522 57.611 -49.016 1.00 0.00 H new ATOM 0 HB3 GLU A 46 48.126 56.819 -47.503 1.00 0.00 H new ATOM 0 HG2 GLU A 46 46.231 55.630 -48.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.468 56.512 -50.060 1.00 0.00 H new ATOM 772 N GLY A 47 47.357 59.975 -46.471 1.00 0.00 N ATOM 773 CA GLY A 47 48.042 61.222 -46.043 1.00 0.00 C ATOM 774 C GLY A 47 48.088 61.293 -44.521 1.00 0.00 C ATOM 775 O GLY A 47 47.843 60.324 -43.832 1.00 0.00 O ATOM 0 H GLY A 47 46.853 59.478 -45.736 1.00 0.00 H new ATOM 0 HA2 GLY A 47 49.054 61.249 -46.448 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.517 62.090 -46.440 1.00 0.00 H new ATOM 779 N TYR A 48 48.396 62.442 -43.993 1.00 0.00 N ATOM 780 CA TYR A 48 48.454 62.588 -42.516 1.00 0.00 C ATOM 781 C TYR A 48 47.206 63.327 -42.031 1.00 0.00 C ATOM 782 O TYR A 48 46.816 64.335 -42.584 1.00 0.00 O ATOM 783 CB TYR A 48 49.704 63.382 -42.127 1.00 0.00 C ATOM 784 CG TYR A 48 50.873 62.929 -42.969 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.977 61.590 -43.361 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.853 63.851 -43.359 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.061 61.170 -44.141 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.936 63.431 -44.140 1.00 0.00 C ATOM 789 CZ TYR A 48 53.041 62.092 -44.531 1.00 0.00 C ATOM 790 OH TYR A 48 54.108 61.678 -45.302 1.00 0.00 O ATOM 0 H TYR A 48 48.610 63.287 -44.522 1.00 0.00 H new ATOM 0 HA TYR A 48 48.496 61.602 -42.054 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.530 64.448 -42.272 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.926 63.236 -41.070 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.220 60.880 -43.062 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.773 64.885 -43.057 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.142 60.136 -44.442 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.691 64.142 -44.441 1.00 0.00 H new ATOM 0 HH TYR A 48 54.695 62.441 -45.485 1.00 0.00 H new ATOM 800 N ILE A 49 46.571 62.840 -41.005 1.00 0.00 N ATOM 801 CA ILE A 49 45.350 63.537 -40.507 1.00 0.00 C ATOM 802 C ILE A 49 45.554 63.900 -39.028 1.00 0.00 C ATOM 803 O ILE A 49 46.002 63.079 -38.253 1.00 0.00 O ATOM 804 CB ILE A 49 44.112 62.640 -40.659 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.525 61.186 -40.903 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.258 63.123 -41.833 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.147 61.069 -42.294 1.00 0.00 C ATOM 0 H ILE A 49 46.838 61.999 -40.493 1.00 0.00 H new ATOM 0 HA ILE A 49 45.189 64.441 -41.095 1.00 0.00 H new ATOM 0 HB ILE A 49 43.535 62.696 -39.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.239 60.865 -40.144 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.658 60.530 -40.823 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.382 62.482 -41.934 1.00 0.00 H new ATOM 0 HG22 ILE A 49 42.938 64.149 -41.652 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.845 63.083 -42.751 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.443 60.036 -42.474 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.418 61.374 -43.045 1.00 0.00 H new ATOM 0 HD13 ILE A 49 46.023 61.714 -42.356 1.00 0.00 H new ATOM 819 N PRO A 50 45.239 65.127 -38.684 1.00 0.00 N ATOM 820 CA PRO A 50 45.401 65.637 -37.306 1.00 0.00 C ATOM 821 C PRO A 50 44.272 65.156 -36.384 1.00 0.00 C ATOM 822 O PRO A 50 43.153 64.949 -36.807 1.00 0.00 O ATOM 823 CB PRO A 50 45.344 67.157 -37.481 1.00 0.00 C ATOM 824 CG PRO A 50 44.599 67.419 -38.811 1.00 0.00 C ATOM 825 CD PRO A 50 44.695 66.119 -39.633 1.00 0.00 C ATOM 0 HA PRO A 50 46.323 65.288 -36.840 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.822 67.624 -36.646 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.347 67.582 -37.508 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.558 67.685 -38.626 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.050 68.252 -39.350 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.719 65.814 -40.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.347 66.242 -40.497 1.00 0.00 H new ATOM 832 N SER A 51 44.571 64.982 -35.120 1.00 0.00 N ATOM 833 CA SER A 51 43.540 64.521 -34.149 1.00 0.00 C ATOM 834 C SER A 51 42.769 65.723 -33.587 1.00 0.00 C ATOM 835 O SER A 51 41.669 65.588 -33.090 1.00 0.00 O ATOM 836 CB SER A 51 44.232 63.801 -32.996 1.00 0.00 C ATOM 837 OG SER A 51 44.548 62.473 -33.390 1.00 0.00 O ATOM 0 H SER A 51 45.495 65.142 -34.719 1.00 0.00 H new ATOM 0 HA SER A 51 42.846 63.851 -34.656 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.140 64.334 -32.713 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.584 63.788 -32.120 1.00 0.00 H new ATOM 0 HG SER A 51 45.508 62.316 -33.269 1.00 0.00 H new ATOM 843 N ASN A 52 43.348 66.894 -33.640 1.00 0.00 N ATOM 844 CA ASN A 52 42.660 68.100 -33.086 1.00 0.00 C ATOM 845 C ASN A 52 41.543 68.566 -34.025 1.00 0.00 C ATOM 846 O ASN A 52 40.775 69.448 -33.696 1.00 0.00 O ATOM 847 CB ASN A 52 43.679 69.229 -32.918 1.00 0.00 C ATOM 848 CG ASN A 52 44.469 69.398 -34.216 1.00 0.00 C ATOM 849 OD1 ASN A 52 43.902 69.666 -35.256 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.766 69.252 -34.200 1.00 0.00 N ATOM 0 H ASN A 52 44.269 67.068 -34.043 1.00 0.00 H new ATOM 0 HA ASN A 52 42.222 67.840 -32.122 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.169 70.159 -32.666 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.356 69.003 -32.094 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.302 69.363 -35.060 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.243 69.027 -33.327 1.00 0.00 H new ATOM 857 N TYR A 53 41.441 67.988 -35.187 1.00 0.00 N ATOM 858 CA TYR A 53 40.364 68.411 -36.135 1.00 0.00 C ATOM 859 C TYR A 53 39.574 67.179 -36.574 1.00 0.00 C ATOM 860 O TYR A 53 38.908 67.179 -37.589 1.00 0.00 O ATOM 861 CB TYR A 53 40.999 69.073 -37.362 1.00 0.00 C ATOM 862 CG TYR A 53 40.987 70.573 -37.191 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.503 71.151 -36.024 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.462 71.387 -38.201 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.492 72.543 -35.867 1.00 0.00 C ATOM 866 CE2 TYR A 53 40.451 72.779 -38.044 1.00 0.00 C ATOM 867 CZ TYR A 53 40.966 73.356 -36.877 1.00 0.00 C ATOM 868 OH TYR A 53 40.955 74.727 -36.724 1.00 0.00 O ATOM 0 H TYR A 53 42.051 67.244 -35.525 1.00 0.00 H new ATOM 0 HA TYR A 53 39.697 69.120 -35.644 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.022 68.720 -37.490 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.451 68.795 -38.262 1.00 0.00 H new ATOM 0 HD1 TYR A 53 41.910 70.523 -35.245 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.065 70.942 -39.102 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.889 72.988 -34.967 1.00 0.00 H new ATOM 0 HE2 TYR A 53 40.045 73.407 -38.823 1.00 0.00 H new ATOM 0 HH TYR A 53 40.557 75.142 -37.518 1.00 0.00 H new ATOM 878 N VAL A 54 39.667 66.129 -35.809 1.00 0.00 N ATOM 879 CA VAL A 54 38.963 64.854 -36.136 1.00 0.00 C ATOM 880 C VAL A 54 38.661 64.140 -34.830 1.00 0.00 C ATOM 881 O VAL A 54 38.505 64.755 -33.795 1.00 0.00 O ATOM 882 CB VAL A 54 39.913 63.996 -36.965 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.420 64.801 -38.153 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.086 63.601 -36.085 1.00 0.00 C ATOM 0 H VAL A 54 40.215 66.099 -34.949 1.00 0.00 H new ATOM 0 HA VAL A 54 38.041 65.038 -36.687 1.00 0.00 H new ATOM 0 HB VAL A 54 39.398 63.108 -37.331 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.099 64.187 -38.745 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.576 65.108 -38.771 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.948 65.685 -37.795 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.780 62.986 -36.658 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.598 64.498 -35.738 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.723 63.035 -35.227 1.00 0.00 H new ATOM 894 N THR A 55 38.606 62.847 -34.860 1.00 0.00 N ATOM 895 CA THR A 55 38.347 62.108 -33.604 1.00 0.00 C ATOM 896 C THR A 55 38.506 60.597 -33.834 1.00 0.00 C ATOM 897 O THR A 55 39.485 60.182 -34.407 1.00 0.00 O ATOM 898 CB THR A 55 36.972 62.507 -33.063 1.00 0.00 C ATOM 899 OG1 THR A 55 36.860 62.104 -31.707 1.00 0.00 O ATOM 900 CG2 THR A 55 35.843 61.881 -33.876 1.00 0.00 C ATOM 0 H THR A 55 38.728 62.272 -35.693 1.00 0.00 H new ATOM 0 HA THR A 55 39.080 62.372 -32.842 1.00 0.00 H new ATOM 0 HB THR A 55 36.882 63.590 -33.142 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.980 62.361 -31.361 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.883 62.188 -33.461 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.913 62.213 -34.912 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.925 60.795 -33.836 1.00 0.00 H new ATOM 908 N GLU A 56 37.598 59.769 -33.382 1.00 0.00 N ATOM 909 CA GLU A 56 37.779 58.295 -33.560 1.00 0.00 C ATOM 910 C GLU A 56 39.248 57.937 -33.288 1.00 0.00 C ATOM 911 O GLU A 56 39.755 58.184 -32.211 1.00 0.00 O ATOM 912 CB GLU A 56 37.361 57.859 -34.965 1.00 0.00 C ATOM 913 CG GLU A 56 35.962 58.391 -35.272 1.00 0.00 C ATOM 914 CD GLU A 56 35.019 58.054 -34.115 1.00 0.00 C ATOM 915 OE1 GLU A 56 34.599 56.911 -34.031 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.732 58.946 -33.334 1.00 0.00 O ATOM 0 H GLU A 56 36.743 60.047 -32.900 1.00 0.00 H new ATOM 0 HA GLU A 56 37.141 57.764 -32.853 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.073 58.234 -35.700 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.371 56.771 -35.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.997 59.470 -35.423 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.590 57.952 -36.197 1.00 0.00 H new ATOM 923 N ALA A 57 39.943 57.367 -34.233 1.00 0.00 N ATOM 924 CA ALA A 57 41.372 57.013 -33.998 1.00 0.00 C ATOM 925 C ALA A 57 42.228 58.286 -33.861 1.00 0.00 C ATOM 926 O ALA A 57 43.212 58.454 -34.551 1.00 0.00 O ATOM 927 CB ALA A 57 41.882 56.190 -35.179 1.00 0.00 C ATOM 0 H ALA A 57 39.584 57.131 -35.158 1.00 0.00 H new ATOM 0 HA ALA A 57 41.447 56.438 -33.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 42.927 55.927 -35.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.289 55.280 -35.272 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.795 56.775 -36.095 1.00 0.00 H new ATOM 933 N GLU A 58 41.871 59.175 -32.970 1.00 0.00 N ATOM 934 CA GLU A 58 42.674 60.423 -32.791 1.00 0.00 C ATOM 935 C GLU A 58 43.959 60.093 -32.027 1.00 0.00 C ATOM 936 O GLU A 58 44.571 59.088 -32.343 1.00 0.00 O ATOM 937 CB GLU A 58 41.857 61.439 -31.990 1.00 0.00 C ATOM 938 CG GLU A 58 41.463 60.827 -30.645 1.00 0.00 C ATOM 939 CD GLU A 58 42.180 61.571 -29.516 1.00 0.00 C ATOM 940 OE1 GLU A 58 42.073 62.785 -29.471 1.00 0.00 O ATOM 941 OE2 GLU A 58 42.823 60.913 -28.715 1.00 0.00 O ATOM 942 OXT GLU A 58 44.306 60.852 -31.137 1.00 0.00 O ATOM 0 H GLU A 58 41.059 59.091 -32.359 1.00 0.00 H new ATOM 0 HA GLU A 58 42.924 60.840 -33.766 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.439 62.347 -31.832 1.00 0.00 H new ATOM 0 HB3 GLU A 58 40.965 61.725 -32.547 1.00 0.00 H new ATOM 0 HG2 GLU A 58 40.383 60.889 -30.508 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.727 59.770 -30.623 1.00 0.00 H new TER 949 GLU A 58