USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 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+ 173:sc= 0.0931 (180deg=0.0777) 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 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 16 ASN : amide:sc= -0.788 K(o=-0.79,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.066) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 38:sc= -4.37! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.9!) USER MOD Single : A 45 GLN : amide:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 48 TYR OH : rot 61:sc= 0.0773! USER MOD Single : A 51 SER OG : rot 100:sc= -0.244! USER MOD Single : A 52 ASN : amide:sc= -6.42! C(o=-6.4!,f=-11!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -133:sc= 0.0902 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 42.008 48.257 -35.144 1.00 0.00 N ATOM 2 CA LEU A 1 40.951 48.737 -36.080 1.00 0.00 C ATOM 3 C LEU A 1 40.411 50.082 -35.594 1.00 0.00 C ATOM 4 O LEU A 1 39.667 50.155 -34.636 1.00 0.00 O ATOM 5 CB LEU A 1 39.810 47.718 -36.125 1.00 0.00 C ATOM 6 CG LEU A 1 38.927 47.995 -37.342 1.00 0.00 C ATOM 7 CD1 LEU A 1 38.303 46.688 -37.831 1.00 0.00 C ATOM 8 CD2 LEU A 1 37.817 48.973 -36.951 1.00 0.00 C ATOM 0 H1 LEU A 1 42.375 47.342 -35.475 1.00 0.00 H new ATOM 0 H2 LEU A 1 42.783 48.950 -35.111 1.00 0.00 H new ATOM 0 H3 LEU A 1 41.604 48.144 -34.192 1.00 0.00 H new ATOM 0 HA LEU A 1 41.375 48.854 -37.077 1.00 0.00 H new ATOM 0 HB2 LEU A 1 40.213 46.707 -36.178 1.00 0.00 H new ATOM 0 HB3 LEU A 1 39.218 47.778 -35.212 1.00 0.00 H new ATOM 0 HG LEU A 1 39.532 48.427 -38.139 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.674 46.887 -38.699 1.00 0.00 H new ATOM 0 HD12 LEU A 1 39.092 45.989 -38.108 1.00 0.00 H new ATOM 0 HD13 LEU A 1 37.697 46.254 -37.036 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.186 49.172 -37.817 1.00 0.00 H new ATOM 0 HD22 LEU A 1 37.213 48.538 -36.154 1.00 0.00 H new ATOM 0 HD23 LEU A 1 38.260 49.906 -36.603 1.00 0.00 H new ATOM 22 N LYS A 2 40.778 51.150 -36.247 1.00 0.00 N ATOM 23 CA LYS A 2 40.283 52.489 -35.822 1.00 0.00 C ATOM 24 C LYS A 2 40.183 53.410 -37.041 1.00 0.00 C ATOM 25 O LYS A 2 40.934 53.289 -37.987 1.00 0.00 O ATOM 26 CB LYS A 2 41.255 53.093 -34.806 1.00 0.00 C ATOM 27 CG LYS A 2 42.687 52.959 -35.328 1.00 0.00 C ATOM 28 CD LYS A 2 43.489 52.051 -34.393 1.00 0.00 C ATOM 29 CE LYS A 2 43.555 52.681 -32.999 1.00 0.00 C ATOM 30 NZ LYS A 2 44.877 52.380 -32.380 1.00 0.00 N ATOM 0 H LYS A 2 41.399 51.153 -37.056 1.00 0.00 H new ATOM 0 HA LYS A 2 39.299 52.383 -35.366 1.00 0.00 H new ATOM 0 HB2 LYS A 2 41.015 54.143 -34.637 1.00 0.00 H new ATOM 0 HB3 LYS A 2 41.157 52.585 -33.847 1.00 0.00 H new ATOM 0 HG2 LYS A 2 42.680 52.545 -36.336 1.00 0.00 H new ATOM 0 HG3 LYS A 2 43.156 53.941 -35.389 1.00 0.00 H new ATOM 0 HD2 LYS A 2 43.023 51.067 -34.337 1.00 0.00 H new ATOM 0 HD3 LYS A 2 44.495 51.905 -34.786 1.00 0.00 H new ATOM 0 HE2 LYS A 2 43.411 53.759 -33.068 1.00 0.00 H new ATOM 0 HE3 LYS A 2 42.752 52.292 -32.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 44.922 52.808 -31.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 44.997 51.350 -32.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 45.636 52.772 -32.974 1.00 0.00 H new ATOM 44 N LYS A 3 39.259 54.331 -37.022 1.00 0.00 N ATOM 45 CA LYS A 3 39.107 55.264 -38.175 1.00 0.00 C ATOM 46 C LYS A 3 38.899 56.685 -37.648 1.00 0.00 C ATOM 47 O LYS A 3 37.784 57.143 -37.510 1.00 0.00 O ATOM 48 CB LYS A 3 37.893 54.848 -39.009 1.00 0.00 C ATOM 49 CG LYS A 3 38.359 54.083 -40.250 1.00 0.00 C ATOM 50 CD LYS A 3 37.160 53.391 -40.901 1.00 0.00 C ATOM 51 CE LYS A 3 37.227 53.569 -42.419 1.00 0.00 C ATOM 52 NZ LYS A 3 35.852 53.493 -42.988 1.00 0.00 N ATOM 0 H LYS A 3 38.601 54.478 -36.256 1.00 0.00 H new ATOM 0 HA LYS A 3 40.003 55.230 -38.795 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.227 54.224 -38.414 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.324 55.729 -39.305 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.826 54.767 -40.958 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.113 53.346 -39.974 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.158 52.331 -40.649 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.231 53.812 -40.516 1.00 0.00 H new ATOM 0 HE2 LYS A 3 37.681 54.529 -42.664 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.858 52.797 -42.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 35.881 53.731 -44.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.480 52.529 -42.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.233 54.166 -42.492 1.00 0.00 H new ATOM 66 N VAL A 4 39.964 57.384 -37.354 1.00 0.00 N ATOM 67 CA VAL A 4 39.823 58.776 -36.832 1.00 0.00 C ATOM 68 C VAL A 4 38.759 59.511 -37.650 1.00 0.00 C ATOM 69 O VAL A 4 38.865 59.625 -38.854 1.00 0.00 O ATOM 70 CB VAL A 4 41.163 59.503 -36.963 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.522 59.650 -38.440 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.055 60.890 -36.329 1.00 0.00 C ATOM 0 H VAL A 4 40.924 57.052 -37.452 1.00 0.00 H new ATOM 0 HA VAL A 4 39.526 58.751 -35.784 1.00 0.00 H new ATOM 0 HB VAL A 4 41.937 58.928 -36.455 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.477 60.168 -38.533 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.599 58.663 -38.896 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.747 60.224 -38.947 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.010 61.408 -36.422 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.280 61.463 -36.838 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.798 60.789 -35.274 1.00 0.00 H new ATOM 82 N VAL A 5 37.724 59.998 -37.021 1.00 0.00 N ATOM 83 CA VAL A 5 36.662 60.694 -37.790 1.00 0.00 C ATOM 84 C VAL A 5 36.965 62.188 -37.895 1.00 0.00 C ATOM 85 O VAL A 5 37.109 62.864 -36.907 1.00 0.00 O ATOM 86 CB VAL A 5 35.312 60.443 -37.109 1.00 0.00 C ATOM 87 CG1 VAL A 5 34.601 61.761 -36.769 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.453 59.627 -38.063 1.00 0.00 C ATOM 0 H VAL A 5 37.571 59.943 -36.014 1.00 0.00 H new ATOM 0 HA VAL A 5 36.625 60.302 -38.806 1.00 0.00 H new ATOM 0 HB VAL A 5 35.474 59.908 -36.173 1.00 0.00 H new ATOM 0 HG11 VAL A 5 33.647 61.546 -36.287 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.225 62.347 -36.094 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.426 62.327 -37.684 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.484 59.433 -37.604 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.311 60.182 -38.990 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.948 58.680 -38.280 1.00 0.00 H new ATOM 98 N ALA A 6 37.040 62.701 -39.089 1.00 0.00 N ATOM 99 CA ALA A 6 37.323 64.153 -39.262 1.00 0.00 C ATOM 100 C ALA A 6 36.380 64.984 -38.390 1.00 0.00 C ATOM 101 O ALA A 6 35.567 64.460 -37.654 1.00 0.00 O ATOM 102 CB ALA A 6 37.111 64.537 -40.725 1.00 0.00 C ATOM 0 H ALA A 6 36.917 62.177 -39.956 1.00 0.00 H new ATOM 0 HA ALA A 6 38.353 64.349 -38.966 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.317 65.599 -40.856 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.785 63.956 -41.355 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.079 64.330 -41.010 1.00 0.00 H new ATOM 108 N LEU A 7 36.492 66.282 -38.472 1.00 0.00 N ATOM 109 CA LEU A 7 35.619 67.170 -37.660 1.00 0.00 C ATOM 110 C LEU A 7 35.562 68.551 -38.313 1.00 0.00 C ATOM 111 O LEU A 7 34.509 69.134 -38.471 1.00 0.00 O ATOM 112 CB LEU A 7 36.220 67.301 -36.263 1.00 0.00 C ATOM 113 CG LEU A 7 35.125 67.228 -35.203 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.293 68.511 -35.236 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.221 66.022 -35.466 1.00 0.00 C ATOM 0 H LEU A 7 37.158 66.767 -39.073 1.00 0.00 H new ATOM 0 HA LEU A 7 34.614 66.753 -37.598 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.948 66.507 -36.098 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.755 68.247 -36.178 1.00 0.00 H new ATOM 0 HG LEU A 7 35.586 67.119 -34.221 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.511 68.457 -34.478 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.936 69.367 -35.034 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.838 68.624 -36.220 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.442 65.978 -34.704 1.00 0.00 H new ATOM 0 HD22 LEU A 7 33.761 66.119 -36.450 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.814 65.108 -35.432 1.00 0.00 H new ATOM 127 N TYR A 8 36.695 69.077 -38.692 1.00 0.00 N ATOM 128 CA TYR A 8 36.721 70.420 -39.333 1.00 0.00 C ATOM 129 C TYR A 8 37.477 70.329 -40.660 1.00 0.00 C ATOM 130 O TYR A 8 38.560 69.782 -40.733 1.00 0.00 O ATOM 131 CB TYR A 8 37.421 71.406 -38.400 1.00 0.00 C ATOM 132 CG TYR A 8 36.871 71.243 -37.003 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.613 71.767 -36.681 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.617 70.568 -36.030 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.102 71.615 -35.386 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.106 70.417 -34.736 1.00 0.00 C ATOM 137 CZ TYR A 8 35.848 70.941 -34.414 1.00 0.00 C ATOM 138 OH TYR A 8 35.345 70.793 -33.138 1.00 0.00 O ATOM 0 H TYR A 8 37.606 68.632 -38.584 1.00 0.00 H new ATOM 0 HA TYR A 8 35.704 70.764 -39.522 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.496 71.228 -38.404 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.266 72.427 -38.748 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.037 72.288 -37.431 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.587 70.164 -36.278 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.131 72.018 -35.138 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.682 69.896 -33.985 1.00 0.00 H new ATOM 0 HH TYR A 8 35.989 70.300 -32.588 1.00 0.00 H new ATOM 148 N ASP A 9 36.912 70.853 -41.713 1.00 0.00 N ATOM 149 CA ASP A 9 37.591 70.787 -43.038 1.00 0.00 C ATOM 150 C ASP A 9 39.022 71.315 -42.917 1.00 0.00 C ATOM 151 O ASP A 9 39.254 72.409 -42.444 1.00 0.00 O ATOM 152 CB ASP A 9 36.820 71.639 -44.049 1.00 0.00 C ATOM 153 CG ASP A 9 37.335 71.349 -45.460 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.218 70.212 -45.890 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.836 72.267 -46.087 1.00 0.00 O ATOM 0 H ASP A 9 36.008 71.325 -41.713 1.00 0.00 H new ATOM 0 HA ASP A 9 37.617 69.751 -43.375 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.754 71.420 -43.987 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.942 72.697 -43.816 1.00 0.00 H new ATOM 160 N TYR A 10 39.985 70.543 -43.347 1.00 0.00 N ATOM 161 CA TYR A 10 41.399 70.999 -43.264 1.00 0.00 C ATOM 162 C TYR A 10 42.173 70.493 -44.485 1.00 0.00 C ATOM 163 O TYR A 10 42.260 69.306 -44.727 1.00 0.00 O ATOM 164 CB TYR A 10 42.043 70.450 -41.990 1.00 0.00 C ATOM 165 CG TYR A 10 43.513 70.797 -41.985 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.942 72.017 -41.451 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.445 69.899 -42.518 1.00 0.00 C ATOM 168 CE1 TYR A 10 45.304 72.340 -41.451 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.808 70.220 -42.516 1.00 0.00 C ATOM 170 CZ TYR A 10 46.237 71.442 -41.982 1.00 0.00 C ATOM 171 OH TYR A 10 47.579 71.759 -41.982 1.00 0.00 O ATOM 0 H TYR A 10 39.851 69.616 -43.752 1.00 0.00 H new ATOM 0 HA TYR A 10 41.425 72.088 -43.242 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.555 70.872 -41.111 1.00 0.00 H new ATOM 0 HB3 TYR A 10 41.912 69.369 -41.939 1.00 0.00 H new ATOM 0 HD1 TYR A 10 43.223 72.709 -41.039 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.113 68.958 -42.931 1.00 0.00 H new ATOM 0 HE1 TYR A 10 45.635 73.283 -41.041 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.527 69.526 -42.926 1.00 0.00 H new ATOM 0 HH TYR A 10 48.088 71.026 -42.386 1.00 0.00 H new ATOM 181 N MET A 11 42.732 71.384 -45.256 1.00 0.00 N ATOM 182 CA MET A 11 43.496 70.958 -46.458 1.00 0.00 C ATOM 183 C MET A 11 44.995 70.950 -46.136 1.00 0.00 C ATOM 184 O MET A 11 45.422 71.551 -45.170 1.00 0.00 O ATOM 185 CB MET A 11 43.224 71.926 -47.612 1.00 0.00 C ATOM 186 CG MET A 11 43.153 73.357 -47.077 1.00 0.00 C ATOM 187 SD MET A 11 41.433 73.776 -46.702 1.00 0.00 S ATOM 188 CE MET A 11 41.486 75.493 -47.270 1.00 0.00 C ATOM 0 H MET A 11 42.691 72.392 -45.103 1.00 0.00 H new ATOM 0 HA MET A 11 43.182 69.955 -46.748 1.00 0.00 H new ATOM 0 HB2 MET A 11 44.012 71.846 -48.360 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.288 71.665 -48.106 1.00 0.00 H new ATOM 0 HG2 MET A 11 43.765 73.452 -46.180 1.00 0.00 H new ATOM 0 HG3 MET A 11 43.556 74.052 -47.813 1.00 0.00 H new ATOM 0 HE1 MET A 11 40.508 75.953 -47.128 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.233 76.043 -46.697 1.00 0.00 H new ATOM 0 HE3 MET A 11 41.749 75.518 -48.327 1.00 0.00 H new ATOM 198 N PRO A 12 45.746 70.267 -46.960 1.00 0.00 N ATOM 199 CA PRO A 12 47.207 70.156 -46.797 1.00 0.00 C ATOM 200 C PRO A 12 47.900 71.430 -47.287 1.00 0.00 C ATOM 201 O PRO A 12 47.296 72.272 -47.924 1.00 0.00 O ATOM 202 CB PRO A 12 47.576 68.961 -47.681 1.00 0.00 C ATOM 203 CG PRO A 12 46.437 68.818 -48.720 1.00 0.00 C ATOM 204 CD PRO A 12 45.211 69.541 -48.131 1.00 0.00 C ATOM 0 HA PRO A 12 47.513 70.025 -45.759 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.534 69.124 -48.175 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.675 68.053 -47.086 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.725 69.259 -49.674 1.00 0.00 H new ATOM 0 HG3 PRO A 12 46.214 67.768 -48.908 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.766 70.225 -48.854 1.00 0.00 H new ATOM 0 HD3 PRO A 12 44.434 68.834 -47.840 1.00 0.00 H new ATOM 211 N MET A 13 49.164 71.578 -46.998 1.00 0.00 N ATOM 212 CA MET A 13 49.895 72.796 -47.448 1.00 0.00 C ATOM 213 C MET A 13 50.696 72.469 -48.710 1.00 0.00 C ATOM 214 O MET A 13 51.112 73.348 -49.438 1.00 0.00 O ATOM 215 CB MET A 13 50.847 73.258 -46.344 1.00 0.00 C ATOM 216 CG MET A 13 51.505 74.576 -46.755 1.00 0.00 C ATOM 217 SD MET A 13 50.678 75.950 -45.915 1.00 0.00 S ATOM 218 CE MET A 13 52.023 76.364 -44.778 1.00 0.00 C ATOM 0 H MET A 13 49.722 70.908 -46.469 1.00 0.00 H new ATOM 0 HA MET A 13 49.181 73.590 -47.665 1.00 0.00 H new ATOM 0 HB2 MET A 13 50.301 73.388 -45.410 1.00 0.00 H new ATOM 0 HB3 MET A 13 51.609 72.499 -46.165 1.00 0.00 H new ATOM 0 HG2 MET A 13 52.564 74.562 -46.497 1.00 0.00 H new ATOM 0 HG3 MET A 13 51.442 74.705 -47.835 1.00 0.00 H new ATOM 0 HE1 MET A 13 51.724 77.204 -44.151 1.00 0.00 H new ATOM 0 HE2 MET A 13 52.246 75.502 -44.149 1.00 0.00 H new ATOM 0 HE3 MET A 13 52.911 76.636 -45.349 1.00 0.00 H new ATOM 228 N ASN A 14 50.916 71.211 -48.973 1.00 0.00 N ATOM 229 CA ASN A 14 51.689 70.825 -50.187 1.00 0.00 C ATOM 230 C ASN A 14 51.103 69.542 -50.777 1.00 0.00 C ATOM 231 O ASN A 14 50.278 69.578 -51.669 1.00 0.00 O ATOM 232 CB ASN A 14 53.152 70.589 -49.806 1.00 0.00 C ATOM 233 CG ASN A 14 53.960 71.861 -50.064 1.00 0.00 C ATOM 234 OD1 ASN A 14 53.910 72.795 -49.288 1.00 0.00 O ATOM 235 ND2 ASN A 14 54.708 71.940 -51.130 1.00 0.00 N ATOM 0 H ASN A 14 50.593 70.432 -48.399 1.00 0.00 H new ATOM 0 HA ASN A 14 51.630 71.625 -50.925 1.00 0.00 H new ATOM 0 HB2 ASN A 14 53.224 70.307 -48.756 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.561 69.762 -50.387 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.250 72.785 -51.311 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.751 71.157 -51.782 1.00 0.00 H new ATOM 242 N ALA A 15 51.521 68.407 -50.287 1.00 0.00 N ATOM 243 CA ALA A 15 50.987 67.123 -50.821 1.00 0.00 C ATOM 244 C ALA A 15 51.239 66.006 -49.805 1.00 0.00 C ATOM 245 O ALA A 15 52.092 65.162 -49.995 1.00 0.00 O ATOM 246 CB ALA A 15 51.691 66.784 -52.136 1.00 0.00 C ATOM 0 H ALA A 15 52.209 68.314 -49.540 1.00 0.00 H new ATOM 0 HA ALA A 15 49.916 67.220 -50.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 51.300 65.844 -52.526 1.00 0.00 H new ATOM 0 HB2 ALA A 15 51.513 67.580 -52.860 1.00 0.00 H new ATOM 0 HB3 ALA A 15 52.762 66.686 -51.960 1.00 0.00 H new ATOM 252 N ASN A 16 50.504 65.995 -48.727 1.00 0.00 N ATOM 253 CA ASN A 16 50.700 64.934 -47.700 1.00 0.00 C ATOM 254 C ASN A 16 49.475 64.880 -46.785 1.00 0.00 C ATOM 255 O ASN A 16 48.725 63.923 -46.789 1.00 0.00 O ATOM 256 CB ASN A 16 51.943 65.255 -46.868 1.00 0.00 C ATOM 257 CG ASN A 16 52.254 64.082 -45.937 1.00 0.00 C ATOM 258 OD1 ASN A 16 51.845 64.074 -44.793 1.00 0.00 O ATOM 259 ND2 ASN A 16 52.964 63.082 -46.382 1.00 0.00 N ATOM 0 H ASN A 16 49.775 66.676 -48.513 1.00 0.00 H new ATOM 0 HA ASN A 16 50.830 63.970 -48.192 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.792 65.447 -47.524 1.00 0.00 H new ATOM 0 HB3 ASN A 16 51.779 66.161 -46.285 1.00 0.00 H new ATOM 0 HD21 ASN A 16 53.175 62.294 -45.770 1.00 0.00 H new ATOM 0 HD22 ASN A 16 53.308 63.088 -47.342 1.00 0.00 H new ATOM 266 N ASP A 17 49.264 65.902 -46.002 1.00 0.00 N ATOM 267 CA ASP A 17 48.087 65.915 -45.088 1.00 0.00 C ATOM 268 C ASP A 17 46.833 65.541 -45.878 1.00 0.00 C ATOM 269 O ASP A 17 46.583 66.077 -46.940 1.00 0.00 O ATOM 270 CB ASP A 17 47.899 67.321 -44.503 1.00 0.00 C ATOM 271 CG ASP A 17 49.254 67.935 -44.144 1.00 0.00 C ATOM 272 OD1 ASP A 17 50.151 67.878 -44.969 1.00 0.00 O ATOM 273 OD2 ASP A 17 49.369 68.463 -43.051 1.00 0.00 O ATOM 0 H ASP A 17 49.857 66.730 -45.956 1.00 0.00 H new ATOM 0 HA ASP A 17 48.252 65.201 -44.281 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.384 67.956 -45.224 1.00 0.00 H new ATOM 0 HB3 ASP A 17 47.269 67.271 -43.615 1.00 0.00 H new ATOM 278 N LEU A 18 46.029 64.639 -45.379 1.00 0.00 N ATOM 279 CA LEU A 18 44.800 64.272 -46.128 1.00 0.00 C ATOM 280 C LEU A 18 43.731 65.334 -45.874 1.00 0.00 C ATOM 281 O LEU A 18 43.442 65.676 -44.746 1.00 0.00 O ATOM 282 CB LEU A 18 44.302 62.911 -45.630 1.00 0.00 C ATOM 283 CG LEU A 18 44.679 61.770 -46.598 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.852 62.160 -47.510 1.00 0.00 C ATOM 285 CD2 LEU A 18 45.083 60.555 -45.766 1.00 0.00 C ATOM 0 H LEU A 18 46.170 64.148 -44.496 1.00 0.00 H new ATOM 0 HA LEU A 18 45.011 64.214 -47.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.726 62.707 -44.647 1.00 0.00 H new ATOM 0 HB3 LEU A 18 43.219 62.942 -45.510 1.00 0.00 H new ATOM 0 HG LEU A 18 43.819 61.553 -47.232 1.00 0.00 H new ATOM 0 HD11 LEU A 18 46.086 61.330 -48.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 45.578 63.034 -48.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.725 62.394 -46.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.354 59.734 -46.429 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.936 60.811 -45.138 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.247 60.251 -45.136 1.00 0.00 H new ATOM 297 N GLN A 19 43.146 65.862 -46.914 1.00 0.00 N ATOM 298 CA GLN A 19 42.098 66.904 -46.728 1.00 0.00 C ATOM 299 C GLN A 19 40.932 66.305 -45.941 1.00 0.00 C ATOM 300 O GLN A 19 40.493 65.204 -46.206 1.00 0.00 O ATOM 301 CB GLN A 19 41.602 67.383 -48.094 1.00 0.00 C ATOM 302 CG GLN A 19 40.436 68.355 -47.903 1.00 0.00 C ATOM 303 CD GLN A 19 39.622 68.435 -49.195 1.00 0.00 C ATOM 304 OE1 GLN A 19 39.357 69.510 -49.695 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.211 67.334 -49.762 1.00 0.00 N ATOM 0 H GLN A 19 43.348 65.617 -47.883 1.00 0.00 H new ATOM 0 HA GLN A 19 42.515 67.750 -46.181 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.412 67.872 -48.635 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.284 66.532 -48.696 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.802 68.022 -47.081 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.812 69.343 -47.636 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.433 66.431 -49.343 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.668 67.376 -50.624 1.00 0.00 H new ATOM 314 N LEU A 20 40.434 67.015 -44.967 1.00 0.00 N ATOM 315 CA LEU A 20 39.307 66.474 -44.159 1.00 0.00 C ATOM 316 C LEU A 20 37.972 66.874 -44.782 1.00 0.00 C ATOM 317 O LEU A 20 37.891 67.781 -45.587 1.00 0.00 O ATOM 318 CB LEU A 20 39.385 67.027 -42.734 1.00 0.00 C ATOM 319 CG LEU A 20 40.665 66.545 -42.029 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.323 66.154 -40.594 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.267 65.328 -42.750 1.00 0.00 C ATOM 0 H LEU A 20 40.758 67.944 -44.697 1.00 0.00 H new ATOM 0 HA LEU A 20 39.380 65.387 -44.137 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.368 68.117 -42.761 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.510 66.708 -42.167 1.00 0.00 H new ATOM 0 HG LEU A 20 41.396 67.353 -42.043 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.224 65.811 -40.086 1.00 0.00 H new ATOM 0 HD12 LEU A 20 39.917 67.018 -40.068 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.583 65.353 -40.601 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.171 65.008 -42.231 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.543 64.513 -42.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.515 65.599 -43.776 1.00 0.00 H new ATOM 333 N ARG A 21 36.922 66.208 -44.399 1.00 0.00 N ATOM 334 CA ARG A 21 35.578 66.545 -44.942 1.00 0.00 C ATOM 335 C ARG A 21 34.563 66.467 -43.808 1.00 0.00 C ATOM 336 O ARG A 21 33.385 66.263 -44.017 1.00 0.00 O ATOM 337 CB ARG A 21 35.200 65.560 -46.051 1.00 0.00 C ATOM 338 CG ARG A 21 34.378 66.286 -47.119 1.00 0.00 C ATOM 339 CD ARG A 21 34.929 65.947 -48.506 1.00 0.00 C ATOM 340 NE ARG A 21 33.995 66.455 -49.549 1.00 0.00 N ATOM 341 CZ ARG A 21 32.749 66.064 -49.554 1.00 0.00 C ATOM 342 NH1 ARG A 21 32.375 65.089 -50.336 1.00 0.00 N ATOM 343 NH2 ARG A 21 31.878 66.649 -48.778 1.00 0.00 N ATOM 0 H ARG A 21 36.936 65.439 -43.729 1.00 0.00 H new ATOM 0 HA ARG A 21 35.589 67.551 -45.362 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.099 65.134 -46.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.626 64.731 -45.636 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.331 65.991 -47.050 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.417 67.363 -46.954 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.915 66.394 -48.637 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.052 64.869 -48.607 1.00 0.00 H new ATOM 0 HE ARG A 21 34.328 67.108 -50.259 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.056 64.632 -50.943 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.402 64.783 -50.340 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.170 67.412 -48.167 1.00 0.00 H new ATOM 0 HH22 ARG A 21 30.905 66.343 -48.782 1.00 0.00 H new ATOM 357 N LYS A 22 35.036 66.645 -42.611 1.00 0.00 N ATOM 358 CA LYS A 22 34.155 66.605 -41.408 1.00 0.00 C ATOM 359 C LYS A 22 33.068 65.540 -41.567 1.00 0.00 C ATOM 360 O LYS A 22 32.069 65.746 -42.227 1.00 0.00 O ATOM 361 CB LYS A 22 33.490 67.968 -41.214 1.00 0.00 C ATOM 362 CG LYS A 22 34.504 69.087 -41.462 1.00 0.00 C ATOM 363 CD LYS A 22 33.813 70.242 -42.190 1.00 0.00 C ATOM 364 CE LYS A 22 33.018 71.079 -41.186 1.00 0.00 C ATOM 365 NZ LYS A 22 32.159 72.050 -41.921 1.00 0.00 N ATOM 0 H LYS A 22 36.020 66.821 -42.407 1.00 0.00 H new ATOM 0 HA LYS A 22 34.769 66.359 -40.541 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.648 68.071 -41.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.090 68.046 -40.203 1.00 0.00 H new ATOM 0 HG2 LYS A 22 34.919 69.434 -40.516 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.337 68.713 -42.057 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.554 70.864 -42.692 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.148 69.853 -42.962 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.402 70.431 -40.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.698 71.610 -40.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.618 72.620 -41.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.757 72.676 -42.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.502 71.533 -42.539 1.00 0.00 H new ATOM 379 N GLY A 23 33.245 64.407 -40.953 1.00 0.00 N ATOM 380 CA GLY A 23 32.217 63.334 -41.062 1.00 0.00 C ATOM 381 C GLY A 23 32.892 62.048 -41.522 1.00 0.00 C ATOM 382 O GLY A 23 33.051 61.111 -40.764 1.00 0.00 O ATOM 0 H GLY A 23 34.056 64.175 -40.380 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.729 63.180 -40.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.441 63.626 -41.769 1.00 0.00 H new ATOM 386 N ASP A 24 33.304 61.996 -42.758 1.00 0.00 N ATOM 387 CA ASP A 24 33.981 60.770 -43.254 1.00 0.00 C ATOM 388 C ASP A 24 35.065 60.373 -42.255 1.00 0.00 C ATOM 389 O ASP A 24 35.736 61.214 -41.689 1.00 0.00 O ATOM 390 CB ASP A 24 34.622 61.050 -44.612 1.00 0.00 C ATOM 391 CG ASP A 24 33.642 60.683 -45.728 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.795 59.838 -45.491 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.755 61.254 -46.800 1.00 0.00 O ATOM 0 H ASP A 24 33.201 62.746 -43.441 1.00 0.00 H new ATOM 0 HA ASP A 24 33.255 59.964 -43.361 1.00 0.00 H new ATOM 0 HB2 ASP A 24 34.896 62.103 -44.686 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.541 60.474 -44.717 1.00 0.00 H new ATOM 398 N GLU A 25 35.242 59.106 -42.027 1.00 0.00 N ATOM 399 CA GLU A 25 36.284 58.672 -41.057 1.00 0.00 C ATOM 400 C GLU A 25 37.559 58.307 -41.812 1.00 0.00 C ATOM 401 O GLU A 25 37.537 58.032 -42.996 1.00 0.00 O ATOM 402 CB GLU A 25 35.782 57.459 -40.274 1.00 0.00 C ATOM 403 CG GLU A 25 34.272 57.578 -40.061 1.00 0.00 C ATOM 404 CD GLU A 25 33.541 56.718 -41.093 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.982 55.604 -41.325 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.553 57.188 -41.633 1.00 0.00 O ATOM 0 H GLU A 25 34.714 58.353 -42.467 1.00 0.00 H new ATOM 0 HA GLU A 25 36.496 59.484 -40.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.012 56.542 -40.816 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.292 57.397 -39.313 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.010 57.256 -39.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.962 58.619 -40.154 1.00 0.00 H new ATOM 413 N TYR A 26 38.673 58.308 -41.136 1.00 0.00 N ATOM 414 CA TYR A 26 39.956 57.972 -41.805 1.00 0.00 C ATOM 415 C TYR A 26 40.590 56.754 -41.118 1.00 0.00 C ATOM 416 O TYR A 26 40.858 56.765 -39.930 1.00 0.00 O ATOM 417 CB TYR A 26 40.896 59.179 -41.713 1.00 0.00 C ATOM 418 CG TYR A 26 40.129 60.443 -42.049 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.135 60.413 -43.033 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.412 61.646 -41.383 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.425 61.573 -43.354 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.699 62.806 -41.707 1.00 0.00 C ATOM 423 CZ TYR A 26 38.706 62.768 -42.694 1.00 0.00 C ATOM 424 OH TYR A 26 38.008 63.912 -43.021 1.00 0.00 O ATOM 0 H TYR A 26 38.748 58.529 -40.143 1.00 0.00 H new ATOM 0 HA TYR A 26 39.778 57.731 -42.853 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.316 59.251 -40.710 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.733 59.055 -42.400 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.915 59.489 -43.547 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.178 61.676 -40.622 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.658 61.544 -44.114 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.915 63.732 -41.195 1.00 0.00 H new ATOM 0 HH TYR A 26 37.072 63.684 -43.202 1.00 0.00 H new ATOM 434 N PHE A 27 40.831 55.707 -41.865 1.00 0.00 N ATOM 435 CA PHE A 27 41.446 54.481 -41.280 1.00 0.00 C ATOM 436 C PHE A 27 42.918 54.752 -41.010 1.00 0.00 C ATOM 437 O PHE A 27 43.637 55.235 -41.862 1.00 0.00 O ATOM 438 CB PHE A 27 41.313 53.317 -42.265 1.00 0.00 C ATOM 439 CG PHE A 27 40.645 52.147 -41.582 1.00 0.00 C ATOM 440 CD1 PHE A 27 40.982 51.818 -40.263 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.690 51.388 -42.271 1.00 0.00 C ATOM 442 CE1 PHE A 27 40.362 50.732 -39.633 1.00 0.00 C ATOM 443 CE2 PHE A 27 39.072 50.302 -41.640 1.00 0.00 C ATOM 444 CZ PHE A 27 39.408 49.974 -40.322 1.00 0.00 C ATOM 0 H PHE A 27 40.626 55.650 -42.863 1.00 0.00 H new ATOM 0 HA PHE A 27 40.939 54.221 -40.351 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.729 53.626 -43.132 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.297 53.024 -42.631 1.00 0.00 H new ATOM 0 HD1 PHE A 27 41.720 52.402 -39.732 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.431 51.641 -43.289 1.00 0.00 H new ATOM 0 HE1 PHE A 27 40.620 50.479 -38.615 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.335 49.717 -42.171 1.00 0.00 H new ATOM 0 HZ PHE A 27 38.931 49.136 -39.836 1.00 0.00 H new ATOM 454 N ILE A 28 43.365 54.469 -39.823 1.00 0.00 N ATOM 455 CA ILE A 28 44.781 54.744 -39.485 1.00 0.00 C ATOM 456 C ILE A 28 45.700 53.632 -39.965 1.00 0.00 C ATOM 457 O ILE A 28 45.920 52.645 -39.292 1.00 0.00 O ATOM 458 CB ILE A 28 44.914 54.911 -37.980 1.00 0.00 C ATOM 459 CG1 ILE A 28 43.871 55.926 -37.474 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.323 55.410 -37.665 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.534 56.957 -38.565 1.00 0.00 C ATOM 0 H ILE A 28 42.809 54.059 -39.072 1.00 0.00 H new ATOM 0 HA ILE A 28 45.081 55.661 -39.992 1.00 0.00 H new ATOM 0 HB ILE A 28 44.742 53.956 -37.483 1.00 0.00 H new ATOM 0 HG12 ILE A 28 42.965 55.402 -37.171 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.254 56.437 -36.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.433 55.534 -36.588 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.054 54.685 -38.023 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.489 56.367 -38.159 1.00 0.00 H new ATOM 0 HD11 ILE A 28 42.796 57.662 -38.183 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.438 57.496 -38.848 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.129 56.444 -39.437 1.00 0.00 H new ATOM 473 N LEU A 29 46.268 53.819 -41.115 1.00 0.00 N ATOM 474 CA LEU A 29 47.216 52.825 -41.659 1.00 0.00 C ATOM 475 C LEU A 29 48.549 53.004 -40.937 1.00 0.00 C ATOM 476 O LEU A 29 49.474 52.235 -41.108 1.00 0.00 O ATOM 477 CB LEU A 29 47.408 53.099 -43.147 1.00 0.00 C ATOM 478 CG LEU A 29 46.141 52.720 -43.905 1.00 0.00 C ATOM 479 CD1 LEU A 29 44.961 53.547 -43.390 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.351 53.006 -45.390 1.00 0.00 C ATOM 0 H LEU A 29 46.112 54.633 -41.710 1.00 0.00 H new ATOM 0 HA LEU A 29 46.842 51.811 -41.518 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.638 54.153 -43.306 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.255 52.527 -43.526 1.00 0.00 H new ATOM 0 HG LEU A 29 45.927 51.662 -43.755 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.058 53.272 -43.935 1.00 0.00 H new ATOM 0 HD12 LEU A 29 44.816 53.352 -42.327 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.167 54.607 -43.540 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.451 52.739 -45.943 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.561 54.066 -45.530 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.191 52.418 -45.759 1.00 0.00 H new ATOM 492 N GLU A 30 48.650 54.030 -40.134 1.00 0.00 N ATOM 493 CA GLU A 30 49.922 54.283 -39.397 1.00 0.00 C ATOM 494 C GLU A 30 49.764 55.533 -38.528 1.00 0.00 C ATOM 495 O GLU A 30 48.686 56.077 -38.399 1.00 0.00 O ATOM 496 CB GLU A 30 51.055 54.500 -40.402 1.00 0.00 C ATOM 497 CG GLU A 30 52.200 53.531 -40.101 1.00 0.00 C ATOM 498 CD GLU A 30 53.531 54.175 -40.493 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.643 55.383 -40.362 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.415 53.449 -40.918 1.00 0.00 O ATOM 0 H GLU A 30 47.905 54.704 -39.957 1.00 0.00 H new ATOM 0 HA GLU A 30 50.156 53.427 -38.764 1.00 0.00 H new ATOM 0 HB2 GLU A 30 50.690 54.343 -41.417 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.412 55.529 -40.347 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.206 53.276 -39.041 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.058 52.601 -40.652 1.00 0.00 H new ATOM 507 N GLU A 31 50.828 55.995 -37.929 1.00 0.00 N ATOM 508 CA GLU A 31 50.725 57.209 -37.068 1.00 0.00 C ATOM 509 C GLU A 31 51.987 58.063 -37.220 1.00 0.00 C ATOM 510 O GLU A 31 52.979 57.633 -37.774 1.00 0.00 O ATOM 511 CB GLU A 31 50.574 56.784 -35.607 1.00 0.00 C ATOM 512 CG GLU A 31 51.903 56.220 -35.098 1.00 0.00 C ATOM 513 CD GLU A 31 51.665 55.437 -33.806 1.00 0.00 C ATOM 514 OE1 GLU A 31 50.717 54.670 -33.766 1.00 0.00 O ATOM 515 OE2 GLU A 31 52.435 55.617 -32.876 1.00 0.00 O ATOM 0 H GLU A 31 51.760 55.587 -37.998 1.00 0.00 H new ATOM 0 HA GLU A 31 49.857 57.793 -37.373 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.272 57.637 -34.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.789 56.033 -35.515 1.00 0.00 H new ATOM 0 HG2 GLU A 31 52.347 55.571 -35.852 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.609 57.031 -34.919 1.00 0.00 H new ATOM 522 N SER A 32 51.953 59.270 -36.724 1.00 0.00 N ATOM 523 CA SER A 32 53.143 60.159 -36.827 1.00 0.00 C ATOM 524 C SER A 32 53.468 60.719 -35.437 1.00 0.00 C ATOM 525 O SER A 32 53.371 60.020 -34.447 1.00 0.00 O ATOM 526 CB SER A 32 52.837 61.306 -37.791 1.00 0.00 C ATOM 527 OG SER A 32 52.458 60.771 -39.053 1.00 0.00 O ATOM 0 H SER A 32 51.148 59.679 -36.250 1.00 0.00 H new ATOM 0 HA SER A 32 53.998 59.596 -37.202 1.00 0.00 H new ATOM 0 HB2 SER A 32 52.036 61.928 -37.392 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.712 61.946 -37.902 1.00 0.00 H new ATOM 0 HG SER A 32 52.260 61.504 -39.673 1.00 0.00 H new ATOM 533 N ASN A 33 53.849 61.968 -35.348 1.00 0.00 N ATOM 534 CA ASN A 33 54.169 62.554 -34.015 1.00 0.00 C ATOM 535 C ASN A 33 53.111 62.111 -33.003 1.00 0.00 C ATOM 536 O ASN A 33 53.289 61.144 -32.289 1.00 0.00 O ATOM 537 CB ASN A 33 54.171 64.081 -34.116 1.00 0.00 C ATOM 538 CG ASN A 33 55.582 64.570 -34.449 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.276 65.086 -33.595 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.039 64.426 -35.663 1.00 0.00 N ATOM 0 H ASN A 33 53.952 62.604 -36.139 1.00 0.00 H new ATOM 0 HA ASN A 33 55.152 62.212 -33.691 1.00 0.00 H new ATOM 0 HB2 ASN A 33 53.471 64.406 -34.886 1.00 0.00 H new ATOM 0 HB3 ASN A 33 53.836 64.518 -33.176 1.00 0.00 H new ATOM 0 HD21 ASN A 33 56.979 64.747 -35.895 1.00 0.00 H new ATOM 0 HD22 ASN A 33 55.456 63.993 -36.379 1.00 0.00 H new ATOM 547 N LEU A 34 52.008 62.805 -32.938 1.00 0.00 N ATOM 548 CA LEU A 34 50.944 62.415 -31.976 1.00 0.00 C ATOM 549 C LEU A 34 49.557 62.734 -32.565 1.00 0.00 C ATOM 550 O LEU A 34 48.819 61.826 -32.891 1.00 0.00 O ATOM 551 CB LEU A 34 51.166 63.143 -30.653 1.00 0.00 C ATOM 552 CG LEU A 34 52.105 62.315 -29.783 1.00 0.00 C ATOM 553 CD1 LEU A 34 52.589 63.160 -28.604 1.00 0.00 C ATOM 554 CD2 LEU A 34 51.364 61.084 -29.259 1.00 0.00 C ATOM 0 H LEU A 34 51.800 63.624 -33.509 1.00 0.00 H new ATOM 0 HA LEU A 34 50.989 61.342 -31.791 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.592 64.130 -30.833 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.215 63.295 -30.142 1.00 0.00 H new ATOM 0 HG LEU A 34 52.962 61.997 -30.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 53.260 62.567 -27.983 1.00 0.00 H new ATOM 0 HD12 LEU A 34 53.119 64.036 -28.978 1.00 0.00 H new ATOM 0 HD13 LEU A 34 51.733 63.480 -28.010 1.00 0.00 H new ATOM 0 HD21 LEU A 34 52.036 60.492 -28.637 1.00 0.00 H new ATOM 0 HD22 LEU A 34 50.506 61.401 -28.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.022 60.480 -30.099 1.00 0.00 H new ATOM 566 N PRO A 35 49.234 64.003 -32.708 1.00 0.00 N ATOM 567 CA PRO A 35 47.937 64.415 -33.282 1.00 0.00 C ATOM 568 C PRO A 35 47.940 64.204 -34.800 1.00 0.00 C ATOM 569 O PRO A 35 46.975 64.493 -35.479 1.00 0.00 O ATOM 570 CB PRO A 35 47.848 65.906 -32.952 1.00 0.00 C ATOM 571 CG PRO A 35 49.301 66.383 -32.729 1.00 0.00 C ATOM 572 CD PRO A 35 50.105 65.136 -32.322 1.00 0.00 C ATOM 0 HA PRO A 35 47.096 63.844 -32.887 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.377 66.458 -33.766 1.00 0.00 H new ATOM 0 HB3 PRO A 35 47.242 66.073 -32.061 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.708 66.829 -33.637 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.345 67.146 -31.951 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.065 65.095 -32.837 1.00 0.00 H new ATOM 0 HD3 PRO A 35 50.317 65.130 -31.253 1.00 0.00 H new ATOM 579 N TRP A 36 49.024 63.715 -35.333 1.00 0.00 N ATOM 580 CA TRP A 36 49.106 63.497 -36.806 1.00 0.00 C ATOM 581 C TRP A 36 49.349 62.016 -37.091 1.00 0.00 C ATOM 582 O TRP A 36 50.210 61.401 -36.495 1.00 0.00 O ATOM 583 CB TRP A 36 50.279 64.306 -37.359 1.00 0.00 C ATOM 584 CG TRP A 36 50.233 65.695 -36.808 1.00 0.00 C ATOM 585 CD1 TRP A 36 49.104 66.391 -36.542 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.345 66.566 -36.448 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.451 67.633 -36.044 1.00 0.00 N ATOM 588 CE2 TRP A 36 50.821 67.788 -35.966 1.00 0.00 C ATOM 589 CE3 TRP A 36 52.742 66.415 -36.493 1.00 0.00 C ATOM 590 CZ2 TRP A 36 51.654 68.825 -35.543 1.00 0.00 C ATOM 591 CZ3 TRP A 36 53.583 67.456 -36.067 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.040 68.658 -35.593 1.00 0.00 C ATOM 0 H TRP A 36 49.861 63.455 -34.811 1.00 0.00 H new ATOM 0 HA TRP A 36 48.174 63.811 -37.276 1.00 0.00 H new ATOM 0 HB2 TRP A 36 51.222 63.829 -37.091 1.00 0.00 H new ATOM 0 HB3 TRP A 36 50.234 64.334 -38.448 1.00 0.00 H new ATOM 0 HD1 TRP A 36 48.096 66.035 -36.694 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.777 68.348 -35.768 1.00 0.00 H new ATOM 0 HE3 TRP A 36 53.171 65.493 -36.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 51.230 69.750 -35.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 54.655 67.329 -36.105 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.693 69.454 -35.267 1.00 0.00 H new ATOM 603 N TRP A 37 48.618 61.428 -38.003 1.00 0.00 N ATOM 604 CA TRP A 37 48.861 59.992 -38.300 1.00 0.00 C ATOM 605 C TRP A 37 49.008 59.806 -39.803 1.00 0.00 C ATOM 606 O TRP A 37 49.166 60.751 -40.545 1.00 0.00 O ATOM 607 CB TRP A 37 47.693 59.141 -37.795 1.00 0.00 C ATOM 608 CG TRP A 37 47.375 59.535 -36.394 1.00 0.00 C ATOM 609 CD1 TRP A 37 46.968 60.763 -36.022 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.435 58.734 -35.178 1.00 0.00 C ATOM 611 NE1 TRP A 37 46.768 60.774 -34.653 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.042 59.545 -34.087 1.00 0.00 C ATOM 613 CE3 TRP A 37 47.784 57.396 -34.918 1.00 0.00 C ATOM 614 CZ2 TRP A 37 46.999 59.047 -32.784 1.00 0.00 C ATOM 615 CZ3 TRP A 37 47.742 56.892 -33.608 1.00 0.00 C ATOM 616 CH2 TRP A 37 47.351 57.716 -32.543 1.00 0.00 C ATOM 0 H TRP A 37 47.877 61.873 -38.544 1.00 0.00 H new ATOM 0 HA TRP A 37 49.774 59.675 -37.796 1.00 0.00 H new ATOM 0 HB2 TRP A 37 46.821 59.283 -38.433 1.00 0.00 H new ATOM 0 HB3 TRP A 37 47.952 58.083 -37.839 1.00 0.00 H new ATOM 0 HD1 TRP A 37 46.821 61.603 -36.685 1.00 0.00 H new ATOM 0 HE1 TRP A 37 46.456 61.590 -34.126 1.00 0.00 H new ATOM 0 HE3 TRP A 37 48.086 56.753 -35.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 46.696 59.686 -31.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 48.012 55.864 -33.420 1.00 0.00 H new ATOM 0 HH2 TRP A 37 47.322 57.323 -31.538 1.00 0.00 H new ATOM 627 N ARG A 38 48.946 58.592 -40.248 1.00 0.00 N ATOM 628 CA ARG A 38 49.069 58.315 -41.706 1.00 0.00 C ATOM 629 C ARG A 38 47.889 57.446 -42.115 1.00 0.00 C ATOM 630 O ARG A 38 47.992 56.239 -42.211 1.00 0.00 O ATOM 631 CB ARG A 38 50.380 57.575 -41.983 1.00 0.00 C ATOM 632 CG ARG A 38 51.195 58.348 -43.022 1.00 0.00 C ATOM 633 CD ARG A 38 51.957 57.363 -43.911 1.00 0.00 C ATOM 634 NE ARG A 38 53.026 58.090 -44.653 1.00 0.00 N ATOM 635 CZ ARG A 38 53.178 57.897 -45.935 1.00 0.00 C ATOM 636 NH1 ARG A 38 52.789 58.810 -46.784 1.00 0.00 N ATOM 637 NH2 ARG A 38 53.720 56.793 -46.369 1.00 0.00 N ATOM 0 H ARG A 38 48.814 57.767 -39.663 1.00 0.00 H new ATOM 0 HA ARG A 38 49.071 59.246 -42.273 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.952 57.470 -41.061 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.172 56.568 -42.345 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.535 58.967 -43.630 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.894 59.020 -42.524 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.395 56.571 -43.303 1.00 0.00 H new ATOM 0 HD3 ARG A 38 51.273 56.885 -44.612 1.00 0.00 H new ATOM 0 HE ARG A 38 53.639 58.738 -44.159 1.00 0.00 H new ATOM 0 HH11 ARG A 38 52.366 59.674 -46.445 1.00 0.00 H new ATOM 0 HH12 ARG A 38 52.908 58.659 -47.786 1.00 0.00 H new ATOM 0 HH21 ARG A 38 54.025 56.080 -45.707 1.00 0.00 H new ATOM 0 HH22 ARG A 38 53.839 56.643 -47.371 1.00 0.00 H new ATOM 651 N ALA A 39 46.757 58.048 -42.324 1.00 0.00 N ATOM 652 CA ALA A 39 45.552 57.260 -42.688 1.00 0.00 C ATOM 653 C ALA A 39 45.132 57.561 -44.123 1.00 0.00 C ATOM 654 O ALA A 39 45.786 58.290 -44.837 1.00 0.00 O ATOM 655 CB ALA A 39 44.410 57.659 -41.753 1.00 0.00 C ATOM 0 H ALA A 39 46.613 59.056 -42.258 1.00 0.00 H new ATOM 0 HA ALA A 39 45.779 56.198 -42.598 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.516 57.089 -42.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.694 57.449 -40.722 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.205 58.724 -41.863 1.00 0.00 H new ATOM 661 N ARG A 40 44.020 57.017 -44.529 1.00 0.00 N ATOM 662 CA ARG A 40 43.505 57.275 -45.900 1.00 0.00 C ATOM 663 C ARG A 40 42.115 57.890 -45.755 1.00 0.00 C ATOM 664 O ARG A 40 41.161 57.215 -45.425 1.00 0.00 O ATOM 665 CB ARG A 40 43.410 55.961 -46.678 1.00 0.00 C ATOM 666 CG ARG A 40 42.599 56.185 -47.956 1.00 0.00 C ATOM 667 CD ARG A 40 42.318 54.838 -48.626 1.00 0.00 C ATOM 668 NE ARG A 40 43.592 54.082 -48.777 1.00 0.00 N ATOM 669 CZ ARG A 40 43.568 52.786 -48.927 1.00 0.00 C ATOM 670 NH1 ARG A 40 42.443 52.181 -49.194 1.00 0.00 N ATOM 671 NH2 ARG A 40 44.670 52.095 -48.811 1.00 0.00 N ATOM 0 H ARG A 40 43.440 56.398 -43.963 1.00 0.00 H new ATOM 0 HA ARG A 40 44.172 57.946 -46.442 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.408 55.599 -46.926 1.00 0.00 H new ATOM 0 HB3 ARG A 40 42.937 55.195 -46.063 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.661 56.689 -47.721 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.147 56.835 -48.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 41.611 54.263 -48.028 1.00 0.00 H new ATOM 0 HD3 ARG A 40 41.858 54.994 -49.602 1.00 0.00 H new ATOM 0 HE ARG A 40 44.484 54.577 -48.763 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.583 52.721 -49.285 1.00 0.00 H new ATOM 0 HH12 ARG A 40 42.424 51.168 -49.311 1.00 0.00 H new ATOM 0 HH21 ARG A 40 45.549 52.568 -48.603 1.00 0.00 H new ATOM 0 HH22 ARG A 40 44.651 51.082 -48.928 1.00 0.00 H new ATOM 685 N ASP A 41 41.995 59.171 -45.964 1.00 0.00 N ATOM 686 CA ASP A 41 40.664 59.819 -45.796 1.00 0.00 C ATOM 687 C ASP A 41 39.672 59.268 -46.822 1.00 0.00 C ATOM 688 O ASP A 41 39.978 58.372 -47.582 1.00 0.00 O ATOM 689 CB ASP A 41 40.801 61.332 -45.964 1.00 0.00 C ATOM 690 CG ASP A 41 41.271 61.650 -47.385 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.251 60.751 -48.210 1.00 0.00 O ATOM 692 OD2 ASP A 41 41.643 62.788 -47.624 1.00 0.00 O ATOM 0 H ASP A 41 42.754 59.793 -46.242 1.00 0.00 H new ATOM 0 HA ASP A 41 40.289 59.601 -44.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.845 61.818 -45.769 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.512 61.726 -45.238 1.00 0.00 H new ATOM 697 N LYS A 42 38.477 59.797 -46.839 1.00 0.00 N ATOM 698 CA LYS A 42 37.451 59.306 -47.803 1.00 0.00 C ATOM 699 C LYS A 42 37.832 59.713 -49.227 1.00 0.00 C ATOM 700 O LYS A 42 37.172 59.351 -50.181 1.00 0.00 O ATOM 701 CB LYS A 42 36.090 59.908 -47.451 1.00 0.00 C ATOM 702 CG LYS A 42 34.991 59.183 -48.229 1.00 0.00 C ATOM 703 CD LYS A 42 34.603 57.898 -47.494 1.00 0.00 C ATOM 704 CE LYS A 42 33.425 57.235 -48.208 1.00 0.00 C ATOM 705 NZ LYS A 42 33.882 55.973 -48.856 1.00 0.00 N ATOM 0 H LYS A 42 38.167 60.550 -46.225 1.00 0.00 H new ATOM 0 HA LYS A 42 37.399 58.219 -47.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.909 59.821 -46.380 1.00 0.00 H new ATOM 0 HB3 LYS A 42 36.078 60.971 -47.691 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.120 59.830 -48.336 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.339 58.948 -49.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 35.452 57.215 -47.461 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.335 58.124 -46.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.628 57.022 -47.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.012 57.912 -48.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.080 55.522 -49.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.629 56.188 -49.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.256 55.327 -48.132 1.00 0.00 H new ATOM 719 N ASN A 43 38.893 60.456 -49.387 1.00 0.00 N ATOM 720 CA ASN A 43 39.305 60.866 -50.755 1.00 0.00 C ATOM 721 C ASN A 43 40.121 59.738 -51.389 1.00 0.00 C ATOM 722 O ASN A 43 40.738 59.911 -52.422 1.00 0.00 O ATOM 723 CB ASN A 43 40.157 62.135 -50.674 1.00 0.00 C ATOM 724 CG ASN A 43 40.039 62.914 -51.984 1.00 0.00 C ATOM 725 OD1 ASN A 43 39.141 62.677 -52.767 1.00 0.00 O ATOM 726 ND2 ASN A 43 40.914 63.844 -52.257 1.00 0.00 N ATOM 0 H ASN A 43 39.489 60.795 -48.632 1.00 0.00 H new ATOM 0 HA ASN A 43 38.422 61.066 -51.362 1.00 0.00 H new ATOM 0 HB2 ASN A 43 39.827 62.754 -49.840 1.00 0.00 H new ATOM 0 HB3 ASN A 43 41.199 61.875 -50.486 1.00 0.00 H new ATOM 0 HD21 ASN A 43 40.843 64.371 -53.127 1.00 0.00 H new ATOM 0 HD22 ASN A 43 41.668 64.043 -51.600 1.00 0.00 H new ATOM 733 N GLY A 44 40.135 58.584 -50.775 1.00 0.00 N ATOM 734 CA GLY A 44 40.917 57.453 -51.340 1.00 0.00 C ATOM 735 C GLY A 44 42.376 57.879 -51.455 1.00 0.00 C ATOM 736 O GLY A 44 43.005 57.710 -52.481 1.00 0.00 O ATOM 0 H GLY A 44 39.638 58.379 -49.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.829 56.575 -50.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.526 57.175 -52.319 1.00 0.00 H new ATOM 740 N GLN A 45 42.919 58.442 -50.411 1.00 0.00 N ATOM 741 CA GLN A 45 44.328 58.890 -50.464 1.00 0.00 C ATOM 742 C GLN A 45 44.939 58.771 -49.073 1.00 0.00 C ATOM 743 O GLN A 45 44.376 59.235 -48.097 1.00 0.00 O ATOM 744 CB GLN A 45 44.373 60.349 -50.920 1.00 0.00 C ATOM 745 CG GLN A 45 45.446 60.516 -51.998 1.00 0.00 C ATOM 746 CD GLN A 45 46.531 61.470 -51.496 1.00 0.00 C ATOM 747 OE1 GLN A 45 47.694 61.120 -51.462 1.00 0.00 O ATOM 748 NE2 GLN A 45 46.198 62.668 -51.102 1.00 0.00 N ATOM 0 H GLN A 45 42.442 58.609 -49.525 1.00 0.00 H new ATOM 0 HA GLN A 45 44.890 58.273 -51.165 1.00 0.00 H new ATOM 0 HB2 GLN A 45 43.401 60.649 -51.311 1.00 0.00 H new ATOM 0 HB3 GLN A 45 44.590 60.999 -50.072 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.883 59.548 -52.244 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.000 60.905 -52.913 1.00 0.00 H new ATOM 0 HE21 GLN A 45 45.222 62.961 -51.131 1.00 0.00 H new ATOM 0 HE22 GLN A 45 46.914 63.312 -50.765 1.00 0.00 H new ATOM 757 N GLU A 46 46.087 58.162 -48.976 1.00 0.00 N ATOM 758 CA GLU A 46 46.749 58.022 -47.653 1.00 0.00 C ATOM 759 C GLU A 46 47.577 59.279 -47.405 1.00 0.00 C ATOM 760 O GLU A 46 48.200 59.805 -48.306 1.00 0.00 O ATOM 761 CB GLU A 46 47.653 56.790 -47.663 1.00 0.00 C ATOM 762 CG GLU A 46 46.920 55.635 -48.348 1.00 0.00 C ATOM 763 CD GLU A 46 47.513 54.304 -47.882 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.646 54.309 -47.429 1.00 0.00 O ATOM 765 OE2 GLU A 46 46.824 53.303 -47.985 1.00 0.00 O ATOM 0 H GLU A 46 46.596 57.754 -49.760 1.00 0.00 H new ATOM 0 HA GLU A 46 46.008 57.902 -46.863 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.582 57.010 -48.189 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.922 56.513 -46.644 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.857 55.674 -48.111 1.00 0.00 H new ATOM 0 HG3 GLU A 46 47.009 55.725 -49.431 1.00 0.00 H new ATOM 772 N GLY A 47 47.580 59.786 -46.205 1.00 0.00 N ATOM 773 CA GLY A 47 48.356 61.025 -45.947 1.00 0.00 C ATOM 774 C GLY A 47 48.376 61.345 -44.455 1.00 0.00 C ATOM 775 O GLY A 47 48.046 60.522 -43.620 1.00 0.00 O ATOM 0 H GLY A 47 47.084 59.400 -45.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 49.376 60.905 -46.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.917 61.857 -46.497 1.00 0.00 H new ATOM 779 N TYR A 48 48.757 62.548 -44.119 1.00 0.00 N ATOM 780 CA TYR A 48 48.801 62.948 -42.689 1.00 0.00 C ATOM 781 C TYR A 48 47.421 63.475 -42.292 1.00 0.00 C ATOM 782 O TYR A 48 46.892 64.388 -42.891 1.00 0.00 O ATOM 783 CB TYR A 48 49.894 64.021 -42.498 1.00 0.00 C ATOM 784 CG TYR A 48 49.512 65.039 -41.435 1.00 0.00 C ATOM 785 CD1 TYR A 48 48.837 64.643 -40.272 1.00 0.00 C ATOM 786 CD2 TYR A 48 49.838 66.386 -41.624 1.00 0.00 C ATOM 787 CE1 TYR A 48 48.489 65.595 -39.304 1.00 0.00 C ATOM 788 CE2 TYR A 48 49.492 67.337 -40.657 1.00 0.00 C ATOM 789 CZ TYR A 48 48.817 66.942 -39.498 1.00 0.00 C ATOM 790 OH TYR A 48 48.477 67.879 -38.545 1.00 0.00 O ATOM 0 H TYR A 48 49.040 63.272 -44.779 1.00 0.00 H new ATOM 0 HA TYR A 48 49.047 62.099 -42.051 1.00 0.00 H new ATOM 0 HB2 TYR A 48 50.831 63.539 -42.218 1.00 0.00 H new ATOM 0 HB3 TYR A 48 50.069 64.533 -43.444 1.00 0.00 H new ATOM 0 HD1 TYR A 48 48.585 63.604 -40.122 1.00 0.00 H new ATOM 0 HD2 TYR A 48 50.358 66.693 -42.519 1.00 0.00 H new ATOM 0 HE1 TYR A 48 47.968 65.289 -38.409 1.00 0.00 H new ATOM 0 HE2 TYR A 48 49.746 68.376 -40.806 1.00 0.00 H new ATOM 0 HH TYR A 48 48.919 67.660 -37.698 1.00 0.00 H new ATOM 800 N ILE A 49 46.838 62.895 -41.285 1.00 0.00 N ATOM 801 CA ILE A 49 45.491 63.340 -40.840 1.00 0.00 C ATOM 802 C ILE A 49 45.610 64.034 -39.474 1.00 0.00 C ATOM 803 O ILE A 49 46.306 63.555 -38.602 1.00 0.00 O ATOM 804 CB ILE A 49 44.604 62.112 -40.732 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.228 61.633 -42.133 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.340 62.426 -39.930 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.485 61.113 -42.829 1.00 0.00 C ATOM 0 H ILE A 49 47.239 62.127 -40.747 1.00 0.00 H new ATOM 0 HA ILE A 49 45.061 64.046 -41.551 1.00 0.00 H new ATOM 0 HB ILE A 49 45.152 61.326 -40.212 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.476 60.846 -42.074 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.790 62.450 -42.706 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.719 61.533 -39.865 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.617 62.749 -38.927 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.782 63.220 -40.426 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.230 60.768 -43.831 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.221 61.914 -42.898 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.902 60.285 -42.255 1.00 0.00 H new ATOM 819 N PRO A 50 44.937 65.151 -39.335 1.00 0.00 N ATOM 820 CA PRO A 50 44.961 65.945 -38.090 1.00 0.00 C ATOM 821 C PRO A 50 44.058 65.327 -37.020 1.00 0.00 C ATOM 822 O PRO A 50 42.863 65.208 -37.193 1.00 0.00 O ATOM 823 CB PRO A 50 44.427 67.312 -38.527 1.00 0.00 C ATOM 824 CG PRO A 50 43.609 67.069 -39.818 1.00 0.00 C ATOM 825 CD PRO A 50 44.091 65.727 -40.400 1.00 0.00 C ATOM 0 HA PRO A 50 45.954 65.996 -37.644 1.00 0.00 H new ATOM 0 HB2 PRO A 50 43.803 67.752 -37.749 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.245 68.008 -38.711 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.542 67.035 -39.599 1.00 0.00 H new ATOM 0 HG3 PRO A 50 43.763 67.878 -40.532 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.252 65.073 -40.639 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.655 65.872 -41.321 1.00 0.00 H new ATOM 832 N SER A 51 44.625 64.941 -35.907 1.00 0.00 N ATOM 833 CA SER A 51 43.807 64.344 -34.819 1.00 0.00 C ATOM 834 C SER A 51 43.443 65.432 -33.807 1.00 0.00 C ATOM 835 O SER A 51 42.541 65.268 -33.010 1.00 0.00 O ATOM 836 CB SER A 51 44.609 63.249 -34.121 1.00 0.00 C ATOM 837 OG SER A 51 44.817 62.171 -35.025 1.00 0.00 O ATOM 0 H SER A 51 45.623 65.015 -35.707 1.00 0.00 H new ATOM 0 HA SER A 51 42.897 63.915 -35.239 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.566 63.644 -33.781 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.076 62.900 -33.237 1.00 0.00 H new ATOM 0 HG SER A 51 45.719 62.231 -35.403 1.00 0.00 H new ATOM 843 N ASN A 52 44.136 66.543 -33.835 1.00 0.00 N ATOM 844 CA ASN A 52 43.820 67.642 -32.877 1.00 0.00 C ATOM 845 C ASN A 52 42.304 67.794 -32.792 1.00 0.00 C ATOM 846 O ASN A 52 41.753 68.142 -31.768 1.00 0.00 O ATOM 847 CB ASN A 52 44.441 68.951 -33.373 1.00 0.00 C ATOM 848 CG ASN A 52 43.954 69.240 -34.794 1.00 0.00 C ATOM 849 OD1 ASN A 52 42.768 69.359 -35.031 1.00 0.00 O ATOM 850 ND2 ASN A 52 44.827 69.360 -35.757 1.00 0.00 N ATOM 0 H ASN A 52 44.904 66.734 -34.478 1.00 0.00 H new ATOM 0 HA ASN A 52 44.226 67.407 -31.893 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.166 69.771 -32.709 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.529 68.879 -33.357 1.00 0.00 H new ATOM 0 HD21 ASN A 52 44.514 69.554 -36.708 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.822 69.260 -35.558 1.00 0.00 H new ATOM 857 N TYR A 53 41.629 67.504 -33.868 1.00 0.00 N ATOM 858 CA TYR A 53 40.144 67.591 -33.873 1.00 0.00 C ATOM 859 C TYR A 53 39.602 66.198 -34.209 1.00 0.00 C ATOM 860 O TYR A 53 39.849 65.260 -33.479 1.00 0.00 O ATOM 861 CB TYR A 53 39.694 68.613 -34.921 1.00 0.00 C ATOM 862 CG TYR A 53 40.075 70.002 -34.467 1.00 0.00 C ATOM 863 CD1 TYR A 53 39.827 70.399 -33.146 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.675 70.894 -35.364 1.00 0.00 C ATOM 865 CE1 TYR A 53 40.181 71.688 -32.726 1.00 0.00 C ATOM 866 CE2 TYR A 53 41.027 72.181 -34.943 1.00 0.00 C ATOM 867 CZ TYR A 53 40.780 72.578 -33.624 1.00 0.00 C ATOM 868 OH TYR A 53 41.128 73.847 -33.209 1.00 0.00 O ATOM 0 H TYR A 53 42.046 67.208 -34.751 1.00 0.00 H new ATOM 0 HA TYR A 53 39.766 67.915 -32.903 1.00 0.00 H new ATOM 0 HB2 TYR A 53 40.159 68.393 -35.882 1.00 0.00 H new ATOM 0 HB3 TYR A 53 38.616 68.550 -35.067 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.364 69.712 -32.453 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.866 70.588 -36.382 1.00 0.00 H new ATOM 0 HE1 TYR A 53 39.991 71.995 -31.708 1.00 0.00 H new ATOM 0 HE2 TYR A 53 41.489 72.868 -35.636 1.00 0.00 H new ATOM 0 HH TYR A 53 41.534 74.335 -33.955 1.00 0.00 H new ATOM 878 N VAL A 54 38.904 66.043 -35.314 1.00 0.00 N ATOM 879 CA VAL A 54 38.390 64.691 -35.704 1.00 0.00 C ATOM 880 C VAL A 54 38.049 63.874 -34.470 1.00 0.00 C ATOM 881 O VAL A 54 37.685 64.403 -33.438 1.00 0.00 O ATOM 882 CB VAL A 54 39.486 63.983 -36.497 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.019 64.945 -37.552 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.621 63.583 -35.555 1.00 0.00 C ATOM 0 H VAL A 54 38.670 66.796 -35.961 1.00 0.00 H new ATOM 0 HA VAL A 54 37.485 64.798 -36.303 1.00 0.00 H new ATOM 0 HB VAL A 54 39.084 63.089 -36.973 1.00 0.00 H new ATOM 0 HG11 VAL A 54 40.804 64.455 -38.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.209 65.239 -38.219 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.426 65.831 -37.064 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.403 63.078 -36.122 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.033 64.475 -35.083 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.237 62.911 -34.788 1.00 0.00 H new ATOM 894 N THR A 55 38.164 62.587 -34.568 1.00 0.00 N ATOM 895 CA THR A 55 37.848 61.746 -33.395 1.00 0.00 C ATOM 896 C THR A 55 38.194 60.280 -33.684 1.00 0.00 C ATOM 897 O THR A 55 39.255 59.988 -34.189 1.00 0.00 O ATOM 898 CB THR A 55 36.372 61.928 -33.070 1.00 0.00 C ATOM 899 OG1 THR A 55 36.079 61.333 -31.815 1.00 0.00 O ATOM 900 CG2 THR A 55 35.514 61.296 -34.161 1.00 0.00 C ATOM 0 H THR A 55 38.461 62.084 -35.404 1.00 0.00 H new ATOM 0 HA THR A 55 38.443 62.046 -32.532 1.00 0.00 H new ATOM 0 HB THR A 55 36.148 62.994 -33.020 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.268 60.788 -31.893 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.460 61.432 -33.919 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.731 61.773 -35.117 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.737 60.231 -34.228 1.00 0.00 H new ATOM 908 N GLU A 56 37.330 59.357 -33.349 1.00 0.00 N ATOM 909 CA GLU A 56 37.643 57.914 -33.577 1.00 0.00 C ATOM 910 C GLU A 56 39.113 57.648 -33.214 1.00 0.00 C ATOM 911 O GLU A 56 39.516 57.849 -32.086 1.00 0.00 O ATOM 912 CB GLU A 56 37.358 57.523 -35.029 1.00 0.00 C ATOM 913 CG GLU A 56 35.852 57.585 -35.289 1.00 0.00 C ATOM 914 CD GLU A 56 35.165 56.406 -34.598 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.634 55.292 -34.767 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.182 56.636 -33.914 1.00 0.00 O ATOM 0 H GLU A 56 36.420 59.540 -32.927 1.00 0.00 H new ATOM 0 HA GLU A 56 37.005 57.302 -32.939 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.883 58.196 -35.707 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.730 56.518 -35.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.446 58.525 -34.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.656 57.556 -36.361 1.00 0.00 H new ATOM 923 N ALA A 57 39.922 57.204 -34.139 1.00 0.00 N ATOM 924 CA ALA A 57 41.351 56.943 -33.803 1.00 0.00 C ATOM 925 C ALA A 57 41.946 58.166 -33.097 1.00 0.00 C ATOM 926 O ALA A 57 42.340 58.099 -31.949 1.00 0.00 O ATOM 927 CB ALA A 57 42.137 56.663 -35.085 1.00 0.00 C ATOM 0 H ALA A 57 39.658 57.012 -35.105 1.00 0.00 H new ATOM 0 HA ALA A 57 41.413 56.078 -33.143 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.181 56.473 -34.837 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.718 55.790 -35.586 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.073 57.527 -35.747 1.00 0.00 H new ATOM 933 N GLU A 58 42.010 59.284 -33.773 1.00 0.00 N ATOM 934 CA GLU A 58 42.578 60.513 -33.143 1.00 0.00 C ATOM 935 C GLU A 58 43.828 60.147 -32.340 1.00 0.00 C ATOM 936 O GLU A 58 44.423 59.126 -32.642 1.00 0.00 O ATOM 937 CB GLU A 58 41.536 61.137 -32.211 1.00 0.00 C ATOM 938 CG GLU A 58 41.380 62.623 -32.540 1.00 0.00 C ATOM 939 CD GLU A 58 41.757 63.460 -31.316 1.00 0.00 C ATOM 940 OE1 GLU A 58 42.849 63.268 -30.805 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.948 64.278 -30.910 1.00 0.00 O ATOM 942 OXT GLU A 58 44.167 60.894 -31.437 1.00 0.00 O ATOM 0 H GLU A 58 41.693 59.399 -34.736 1.00 0.00 H new ATOM 0 HA GLU A 58 42.845 61.228 -33.921 1.00 0.00 H new ATOM 0 HB2 GLU A 58 40.580 60.626 -32.324 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.842 61.014 -31.172 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.016 62.888 -33.385 1.00 0.00 H new ATOM 0 HG3 GLU A 58 40.353 62.835 -32.836 1.00 0.00 H new TER 949 GLU A 58