USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 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 Set 1.1: A 10 TYR OH : rot 132:sc= 0.826 USER MOD Set 1.2: A 14 ASN : amide:sc= 0.464 K(o=1.3,f=-1.4) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00471) 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 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 16 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.6!) USER MOD Single : A 19 GLN : amide:sc= -0.791 K(o=-0.79,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -33:sc= -4.63! USER MOD Single : A 32 SER OG : rot 44:sc= 1.19 USER MOD Single : A 33 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.14) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00548) USER MOD Single : A 43 ASN : amide:sc= 0.258 K(o=0.26,f=-6!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 120:sc= 0.793! USER MOD Single : A 52 ASN : amide:sc= -5.11! C(o=-5.1!,f=-16!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0875 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 40.071 48.530 -35.960 1.00 0.00 N ATOM 2 CA LEU A 1 40.616 49.383 -37.055 1.00 0.00 C ATOM 3 C LEU A 1 40.423 50.858 -36.694 1.00 0.00 C ATOM 4 O LEU A 1 39.316 51.321 -36.503 1.00 0.00 O ATOM 5 CB LEU A 1 39.877 49.074 -38.358 1.00 0.00 C ATOM 6 CG LEU A 1 40.747 49.482 -39.547 1.00 0.00 C ATOM 7 CD1 LEU A 1 41.548 48.273 -40.033 1.00 0.00 C ATOM 8 CD2 LEU A 1 39.853 49.989 -40.682 1.00 0.00 C ATOM 0 H1 LEU A 1 40.201 47.527 -36.203 1.00 0.00 H new ATOM 0 H2 LEU A 1 40.574 48.739 -35.074 1.00 0.00 H new ATOM 0 H3 LEU A 1 39.057 48.728 -35.838 1.00 0.00 H new ATOM 0 HA LEU A 1 41.678 49.176 -37.184 1.00 0.00 H new ATOM 0 HB2 LEU A 1 39.643 48.011 -38.413 1.00 0.00 H new ATOM 0 HB3 LEU A 1 38.929 49.611 -38.387 1.00 0.00 H new ATOM 0 HG LEU A 1 41.432 50.273 -39.241 1.00 0.00 H new ATOM 0 HD11 LEU A 1 42.168 48.564 -40.881 1.00 0.00 H new ATOM 0 HD12 LEU A 1 42.184 47.910 -39.226 1.00 0.00 H new ATOM 0 HD13 LEU A 1 40.863 47.482 -40.339 1.00 0.00 H new ATOM 0 HD21 LEU A 1 40.472 50.280 -41.530 1.00 0.00 H new ATOM 0 HD22 LEU A 1 39.168 49.198 -40.987 1.00 0.00 H new ATOM 0 HD23 LEU A 1 39.281 50.851 -40.338 1.00 0.00 H new ATOM 22 N LYS A 2 41.493 51.598 -36.596 1.00 0.00 N ATOM 23 CA LYS A 2 41.374 53.041 -36.246 1.00 0.00 C ATOM 24 C LYS A 2 40.645 53.784 -37.369 1.00 0.00 C ATOM 25 O LYS A 2 40.691 53.391 -38.518 1.00 0.00 O ATOM 26 CB LYS A 2 42.771 53.636 -36.064 1.00 0.00 C ATOM 27 CG LYS A 2 43.272 53.338 -34.648 1.00 0.00 C ATOM 28 CD LYS A 2 43.225 51.830 -34.395 1.00 0.00 C ATOM 29 CE LYS A 2 44.087 51.489 -33.178 1.00 0.00 C ATOM 30 NZ LYS A 2 43.423 51.993 -31.942 1.00 0.00 N ATOM 0 H LYS A 2 42.446 51.265 -36.743 1.00 0.00 H new ATOM 0 HA LYS A 2 40.810 53.144 -35.319 1.00 0.00 H new ATOM 0 HB2 LYS A 2 43.456 53.215 -36.800 1.00 0.00 H new ATOM 0 HB3 LYS A 2 42.744 54.713 -36.233 1.00 0.00 H new ATOM 0 HG2 LYS A 2 44.291 53.706 -34.527 1.00 0.00 H new ATOM 0 HG3 LYS A 2 42.656 53.859 -33.916 1.00 0.00 H new ATOM 0 HD2 LYS A 2 42.197 51.511 -34.226 1.00 0.00 H new ATOM 0 HD3 LYS A 2 43.586 51.292 -35.272 1.00 0.00 H new ATOM 0 HE2 LYS A 2 44.232 50.411 -33.112 1.00 0.00 H new ATOM 0 HE3 LYS A 2 45.075 51.937 -33.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 43.992 51.732 -31.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 43.337 53.028 -31.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 42.476 51.571 -31.860 1.00 0.00 H new ATOM 44 N LYS A 3 39.969 54.854 -37.046 1.00 0.00 N ATOM 45 CA LYS A 3 39.236 55.617 -38.096 1.00 0.00 C ATOM 46 C LYS A 3 39.036 57.064 -37.641 1.00 0.00 C ATOM 47 O LYS A 3 37.923 57.534 -37.525 1.00 0.00 O ATOM 48 CB LYS A 3 37.872 54.965 -38.333 1.00 0.00 C ATOM 49 CG LYS A 3 36.988 55.164 -37.100 1.00 0.00 C ATOM 50 CD LYS A 3 36.007 53.995 -36.982 1.00 0.00 C ATOM 51 CE LYS A 3 36.187 53.310 -35.626 1.00 0.00 C ATOM 52 NZ LYS A 3 35.595 51.943 -35.678 1.00 0.00 N ATOM 0 H LYS A 3 39.893 55.232 -36.102 1.00 0.00 H new ATOM 0 HA LYS A 3 39.814 55.608 -39.020 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.395 55.404 -39.210 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.996 53.901 -38.536 1.00 0.00 H new ATOM 0 HG2 LYS A 3 37.605 55.227 -36.203 1.00 0.00 H new ATOM 0 HG3 LYS A 3 36.442 56.104 -37.178 1.00 0.00 H new ATOM 0 HD2 LYS A 3 34.983 54.354 -37.086 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.178 53.281 -37.787 1.00 0.00 H new ATOM 0 HE2 LYS A 3 37.246 53.250 -35.374 1.00 0.00 H new ATOM 0 HE3 LYS A 3 35.706 53.897 -34.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 35.717 51.477 -34.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 34.581 52.012 -35.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 36.073 51.385 -36.414 1.00 0.00 H new ATOM 66 N VAL A 4 40.105 57.776 -37.389 1.00 0.00 N ATOM 67 CA VAL A 4 39.973 59.196 -36.940 1.00 0.00 C ATOM 68 C VAL A 4 38.910 59.894 -37.790 1.00 0.00 C ATOM 69 O VAL A 4 39.012 59.949 -38.997 1.00 0.00 O ATOM 70 CB VAL A 4 41.314 59.911 -37.111 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.741 59.851 -38.576 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.166 61.371 -36.685 1.00 0.00 C ATOM 0 H VAL A 4 41.063 57.436 -37.475 1.00 0.00 H new ATOM 0 HA VAL A 4 39.680 59.224 -35.890 1.00 0.00 H new ATOM 0 HB VAL A 4 42.068 59.424 -36.493 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.697 60.361 -38.698 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.843 58.810 -38.883 1.00 0.00 H new ATOM 0 HG13 VAL A 4 40.988 60.339 -39.195 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.120 61.884 -36.806 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.412 61.856 -37.305 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.860 61.416 -35.640 1.00 0.00 H new ATOM 82 N VAL A 5 37.883 60.416 -37.178 1.00 0.00 N ATOM 83 CA VAL A 5 36.818 61.083 -37.968 1.00 0.00 C ATOM 84 C VAL A 5 37.124 62.570 -38.148 1.00 0.00 C ATOM 85 O VAL A 5 37.272 63.297 -37.194 1.00 0.00 O ATOM 86 CB VAL A 5 35.477 60.870 -37.258 1.00 0.00 C ATOM 87 CG1 VAL A 5 34.788 62.208 -36.953 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.588 60.031 -38.163 1.00 0.00 C ATOM 0 H VAL A 5 37.738 60.408 -36.168 1.00 0.00 H new ATOM 0 HA VAL A 5 36.770 60.646 -38.966 1.00 0.00 H new ATOM 0 HB VAL A 5 35.651 60.364 -36.309 1.00 0.00 H new ATOM 0 HG11 VAL A 5 33.839 62.022 -36.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.429 62.809 -36.308 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.605 62.744 -37.884 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.626 59.866 -37.677 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.433 60.554 -39.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.067 59.071 -38.355 1.00 0.00 H new ATOM 98 N ALA A 6 37.189 63.024 -39.367 1.00 0.00 N ATOM 99 CA ALA A 6 37.463 64.466 -39.614 1.00 0.00 C ATOM 100 C ALA A 6 36.529 65.327 -38.760 1.00 0.00 C ATOM 101 O ALA A 6 35.716 64.826 -38.008 1.00 0.00 O ATOM 102 CB ALA A 6 37.218 64.777 -41.090 1.00 0.00 C ATOM 0 H ALA A 6 37.064 62.457 -40.206 1.00 0.00 H new ATOM 0 HA ALA A 6 38.498 64.686 -39.352 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.417 65.832 -41.277 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.880 64.168 -41.705 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.181 64.553 -41.342 1.00 0.00 H new ATOM 108 N LEU A 7 36.643 66.623 -38.870 1.00 0.00 N ATOM 109 CA LEU A 7 35.771 67.523 -38.068 1.00 0.00 C ATOM 110 C LEU A 7 35.610 68.858 -38.794 1.00 0.00 C ATOM 111 O LEU A 7 34.511 69.308 -39.052 1.00 0.00 O ATOM 112 CB LEU A 7 36.428 67.766 -36.711 1.00 0.00 C ATOM 113 CG LEU A 7 35.390 67.698 -35.597 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.487 68.932 -35.663 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.543 66.432 -35.748 1.00 0.00 C ATOM 0 H LEU A 7 37.306 67.097 -39.484 1.00 0.00 H new ATOM 0 HA LEU A 7 34.792 67.063 -37.933 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.205 67.022 -36.538 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.914 68.742 -36.705 1.00 0.00 H new ATOM 0 HG LEU A 7 35.900 67.672 -34.634 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.745 68.883 -34.866 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.091 69.831 -35.542 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.981 68.962 -36.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.804 66.391 -34.948 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.034 66.448 -36.712 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.187 65.554 -35.692 1.00 0.00 H new ATOM 127 N TYR A 8 36.699 69.498 -39.119 1.00 0.00 N ATOM 128 CA TYR A 8 36.615 70.808 -39.824 1.00 0.00 C ATOM 129 C TYR A 8 37.311 70.700 -41.182 1.00 0.00 C ATOM 130 O TYR A 8 38.433 70.248 -41.283 1.00 0.00 O ATOM 131 CB TYR A 8 37.300 71.881 -38.977 1.00 0.00 C ATOM 132 CG TYR A 8 36.842 71.755 -37.542 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.665 72.388 -37.126 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.594 71.006 -36.628 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.240 72.273 -35.796 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.169 70.891 -35.300 1.00 0.00 C ATOM 137 CZ TYR A 8 35.992 71.525 -34.884 1.00 0.00 C ATOM 138 OH TYR A 8 35.573 71.412 -33.574 1.00 0.00 O ATOM 0 H TYR A 8 37.645 69.170 -38.926 1.00 0.00 H new ATOM 0 HA TYR A 8 35.570 71.078 -39.976 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.383 71.770 -39.036 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.060 72.872 -39.362 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.084 72.965 -37.830 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.502 70.517 -36.948 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.332 72.762 -35.475 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.749 70.313 -34.596 1.00 0.00 H new ATOM 0 HH TYR A 8 36.208 70.858 -33.074 1.00 0.00 H new ATOM 148 N ASP A 9 36.649 71.110 -42.229 1.00 0.00 N ATOM 149 CA ASP A 9 37.266 71.031 -43.584 1.00 0.00 C ATOM 150 C ASP A 9 38.724 71.491 -43.517 1.00 0.00 C ATOM 151 O ASP A 9 39.016 72.605 -43.130 1.00 0.00 O ATOM 152 CB ASP A 9 36.493 71.931 -44.550 1.00 0.00 C ATOM 153 CG ASP A 9 36.021 71.109 -45.750 1.00 0.00 C ATOM 154 OD1 ASP A 9 35.976 69.896 -45.631 1.00 0.00 O ATOM 155 OD2 ASP A 9 35.714 71.707 -46.768 1.00 0.00 O ATOM 0 H ASP A 9 35.706 71.497 -42.205 1.00 0.00 H new ATOM 0 HA ASP A 9 37.229 70.000 -43.936 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.637 72.376 -44.042 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.127 72.751 -44.885 1.00 0.00 H new ATOM 160 N TYR A 10 39.641 70.643 -43.897 1.00 0.00 N ATOM 161 CA TYR A 10 41.078 71.033 -43.863 1.00 0.00 C ATOM 162 C TYR A 10 41.763 70.532 -45.135 1.00 0.00 C ATOM 163 O TYR A 10 41.928 69.345 -45.338 1.00 0.00 O ATOM 164 CB TYR A 10 41.748 70.407 -42.637 1.00 0.00 C ATOM 165 CG TYR A 10 43.165 70.914 -42.520 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.420 72.143 -41.900 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.225 70.154 -43.028 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.735 72.612 -41.789 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.540 70.623 -42.918 1.00 0.00 C ATOM 170 CZ TYR A 10 45.795 71.852 -42.298 1.00 0.00 C ATOM 171 OH TYR A 10 47.090 72.313 -42.189 1.00 0.00 O ATOM 0 H TYR A 10 39.456 69.697 -44.230 1.00 0.00 H new ATOM 0 HA TYR A 10 41.164 72.118 -43.804 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.187 70.656 -41.736 1.00 0.00 H new ATOM 0 HB3 TYR A 10 41.746 69.320 -42.724 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.603 72.730 -41.507 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.029 69.205 -43.505 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.931 73.560 -41.311 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.357 70.037 -43.311 1.00 0.00 H new ATOM 0 HH TYR A 10 47.665 71.596 -41.849 1.00 0.00 H new ATOM 181 N MET A 11 42.155 71.427 -46.000 1.00 0.00 N ATOM 182 CA MET A 11 42.818 71.006 -47.261 1.00 0.00 C ATOM 183 C MET A 11 44.291 70.686 -46.987 1.00 0.00 C ATOM 184 O MET A 11 44.796 70.971 -45.920 1.00 0.00 O ATOM 185 CB MET A 11 42.724 72.140 -48.285 1.00 0.00 C ATOM 186 CG MET A 11 41.588 71.849 -49.268 1.00 0.00 C ATOM 187 SD MET A 11 40.742 73.394 -49.686 1.00 0.00 S ATOM 188 CE MET A 11 39.576 73.397 -48.303 1.00 0.00 C ATOM 0 H MET A 11 42.043 72.434 -45.885 1.00 0.00 H new ATOM 0 HA MET A 11 42.323 70.117 -47.652 1.00 0.00 H new ATOM 0 HB2 MET A 11 42.546 73.088 -47.778 1.00 0.00 H new ATOM 0 HB3 MET A 11 43.667 72.238 -48.822 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.984 71.383 -50.170 1.00 0.00 H new ATOM 0 HG3 MET A 11 40.883 71.144 -48.828 1.00 0.00 H new ATOM 0 HE1 MET A 11 38.942 74.281 -48.364 1.00 0.00 H new ATOM 0 HE2 MET A 11 38.956 72.502 -48.348 1.00 0.00 H new ATOM 0 HE3 MET A 11 40.127 73.410 -47.363 1.00 0.00 H new ATOM 198 N PRO A 12 44.934 70.101 -47.965 1.00 0.00 N ATOM 199 CA PRO A 12 46.355 69.723 -47.867 1.00 0.00 C ATOM 200 C PRO A 12 47.249 70.954 -48.048 1.00 0.00 C ATOM 201 O PRO A 12 47.392 71.475 -49.135 1.00 0.00 O ATOM 202 CB PRO A 12 46.543 68.733 -49.020 1.00 0.00 C ATOM 203 CG PRO A 12 45.412 69.023 -50.035 1.00 0.00 C ATOM 204 CD PRO A 12 44.305 69.762 -49.259 1.00 0.00 C ATOM 0 HA PRO A 12 46.621 69.297 -46.900 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.522 68.858 -49.483 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.489 67.705 -48.662 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.779 69.632 -50.861 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.031 68.097 -50.466 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.976 70.656 -49.789 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.426 69.132 -49.122 1.00 0.00 H new ATOM 211 N MET A 13 47.851 71.420 -46.987 1.00 0.00 N ATOM 212 CA MET A 13 48.734 72.615 -47.095 1.00 0.00 C ATOM 213 C MET A 13 49.868 72.503 -46.075 1.00 0.00 C ATOM 214 O MET A 13 50.548 73.466 -45.780 1.00 0.00 O ATOM 215 CB MET A 13 47.919 73.879 -46.815 1.00 0.00 C ATOM 216 CG MET A 13 47.030 74.193 -48.021 1.00 0.00 C ATOM 217 SD MET A 13 46.477 75.914 -47.930 1.00 0.00 S ATOM 218 CE MET A 13 45.253 75.829 -49.260 1.00 0.00 C ATOM 0 H MET A 13 47.769 71.024 -46.050 1.00 0.00 H new ATOM 0 HA MET A 13 49.152 72.669 -48.100 1.00 0.00 H new ATOM 0 HB2 MET A 13 47.306 73.739 -45.925 1.00 0.00 H new ATOM 0 HB3 MET A 13 48.586 74.717 -46.614 1.00 0.00 H new ATOM 0 HG2 MET A 13 47.581 74.025 -48.946 1.00 0.00 H new ATOM 0 HG3 MET A 13 46.170 73.524 -48.037 1.00 0.00 H new ATOM 0 HE1 MET A 13 44.778 76.803 -49.380 1.00 0.00 H new ATOM 0 HE2 MET A 13 45.746 75.548 -50.191 1.00 0.00 H new ATOM 0 HE3 MET A 13 44.497 75.085 -49.011 1.00 0.00 H new ATOM 228 N ASN A 14 50.077 71.334 -45.532 1.00 0.00 N ATOM 229 CA ASN A 14 51.166 71.161 -44.531 1.00 0.00 C ATOM 230 C ASN A 14 52.315 70.369 -45.158 1.00 0.00 C ATOM 231 O ASN A 14 53.409 70.868 -45.323 1.00 0.00 O ATOM 232 CB ASN A 14 50.628 70.401 -43.317 1.00 0.00 C ATOM 233 CG ASN A 14 50.538 71.350 -42.119 1.00 0.00 C ATOM 234 OD1 ASN A 14 49.518 71.424 -41.464 1.00 0.00 O ATOM 235 ND2 ASN A 14 51.570 72.082 -41.805 1.00 0.00 N ATOM 0 H ASN A 14 49.540 70.492 -45.739 1.00 0.00 H new ATOM 0 HA ASN A 14 51.528 72.140 -44.217 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.645 69.986 -43.541 1.00 0.00 H new ATOM 0 HB3 ASN A 14 51.282 69.561 -43.081 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.521 72.717 -41.009 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.426 72.019 -42.356 1.00 0.00 H new ATOM 242 N ALA A 15 52.073 69.134 -45.510 1.00 0.00 N ATOM 243 CA ALA A 15 53.152 68.312 -46.126 1.00 0.00 C ATOM 244 C ALA A 15 52.528 67.191 -46.959 1.00 0.00 C ATOM 245 O ALA A 15 52.820 67.038 -48.128 1.00 0.00 O ATOM 246 CB ALA A 15 54.022 67.704 -45.024 1.00 0.00 C ATOM 0 H ALA A 15 51.176 68.661 -45.397 1.00 0.00 H new ATOM 0 HA ALA A 15 53.767 68.943 -46.768 1.00 0.00 H new ATOM 0 HB1 ALA A 15 54.812 67.102 -45.474 1.00 0.00 H new ATOM 0 HB2 ALA A 15 54.468 68.502 -44.430 1.00 0.00 H new ATOM 0 HB3 ALA A 15 53.407 67.074 -44.381 1.00 0.00 H new ATOM 252 N ASN A 16 51.670 66.403 -46.368 1.00 0.00 N ATOM 253 CA ASN A 16 51.033 65.294 -47.130 1.00 0.00 C ATOM 254 C ASN A 16 49.694 64.926 -46.485 1.00 0.00 C ATOM 255 O ASN A 16 49.161 63.857 -46.708 1.00 0.00 O ATOM 256 CB ASN A 16 51.956 64.072 -47.119 1.00 0.00 C ATOM 257 CG ASN A 16 52.065 63.503 -48.534 1.00 0.00 C ATOM 258 OD1 ASN A 16 52.024 64.236 -49.502 1.00 0.00 O ATOM 259 ND2 ASN A 16 52.205 62.216 -48.696 1.00 0.00 N ATOM 0 H ASN A 16 51.384 66.480 -45.392 1.00 0.00 H new ATOM 0 HA ASN A 16 50.862 65.615 -48.158 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.943 64.352 -46.751 1.00 0.00 H new ATOM 0 HB3 ASN A 16 51.566 63.314 -46.440 1.00 0.00 H new ATOM 0 HD21 ASN A 16 52.280 61.825 -49.635 1.00 0.00 H new ATOM 0 HD22 ASN A 16 52.239 61.600 -47.883 1.00 0.00 H new ATOM 266 N ASP A 17 49.143 65.802 -45.689 1.00 0.00 N ATOM 267 CA ASP A 17 47.837 65.495 -45.038 1.00 0.00 C ATOM 268 C ASP A 17 46.752 65.399 -46.113 1.00 0.00 C ATOM 269 O ASP A 17 46.863 66.000 -47.162 1.00 0.00 O ATOM 270 CB ASP A 17 47.487 66.612 -44.053 1.00 0.00 C ATOM 271 CG ASP A 17 46.480 66.090 -43.028 1.00 0.00 C ATOM 272 OD1 ASP A 17 45.341 65.869 -43.406 1.00 0.00 O ATOM 273 OD2 ASP A 17 46.862 65.923 -41.882 1.00 0.00 O ATOM 0 H ASP A 17 49.539 66.714 -45.462 1.00 0.00 H new ATOM 0 HA ASP A 17 47.904 64.549 -44.501 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.388 66.962 -43.548 1.00 0.00 H new ATOM 0 HB3 ASP A 17 47.069 67.465 -44.587 1.00 0.00 H new ATOM 278 N LEU A 18 45.705 64.644 -45.881 1.00 0.00 N ATOM 279 CA LEU A 18 44.649 64.531 -46.919 1.00 0.00 C ATOM 280 C LEU A 18 43.556 65.565 -46.664 1.00 0.00 C ATOM 281 O LEU A 18 43.365 66.026 -45.557 1.00 0.00 O ATOM 282 CB LEU A 18 44.065 63.126 -46.872 1.00 0.00 C ATOM 283 CG LEU A 18 45.212 62.127 -46.918 1.00 0.00 C ATOM 284 CD1 LEU A 18 44.865 60.903 -46.072 1.00 0.00 C ATOM 285 CD2 LEU A 18 45.456 61.710 -48.369 1.00 0.00 C ATOM 0 H LEU A 18 45.542 64.110 -45.027 1.00 0.00 H new ATOM 0 HA LEU A 18 45.076 64.717 -47.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 43.479 62.989 -45.963 1.00 0.00 H new ATOM 0 HB3 LEU A 18 43.390 62.968 -47.713 1.00 0.00 H new ATOM 0 HG LEU A 18 46.115 62.586 -46.517 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.689 60.190 -46.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.696 61.210 -45.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 43.962 60.434 -46.464 1.00 0.00 H new ATOM 0 HD21 LEU A 18 46.277 60.994 -48.409 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.554 61.250 -48.772 1.00 0.00 H new ATOM 0 HD23 LEU A 18 45.712 62.588 -48.962 1.00 0.00 H new ATOM 297 N GLN A 19 42.839 65.934 -47.688 1.00 0.00 N ATOM 298 CA GLN A 19 41.757 66.942 -47.513 1.00 0.00 C ATOM 299 C GLN A 19 40.642 66.337 -46.664 1.00 0.00 C ATOM 300 O GLN A 19 40.125 65.278 -46.964 1.00 0.00 O ATOM 301 CB GLN A 19 41.202 67.346 -48.880 1.00 0.00 C ATOM 302 CG GLN A 19 40.097 68.389 -48.693 1.00 0.00 C ATOM 303 CD GLN A 19 38.819 67.907 -49.382 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.207 66.950 -48.952 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.386 68.537 -50.441 1.00 0.00 N ATOM 0 H GLN A 19 42.955 65.581 -48.638 1.00 0.00 H new ATOM 0 HA GLN A 19 42.157 67.826 -47.016 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.999 67.752 -49.503 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.808 66.471 -49.398 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.911 68.551 -47.631 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.410 69.345 -49.112 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.900 69.341 -50.802 1.00 0.00 H new ATOM 0 HE22 GLN A 19 37.534 68.225 -50.907 1.00 0.00 H new ATOM 314 N LEU A 20 40.270 66.992 -45.600 1.00 0.00 N ATOM 315 CA LEU A 20 39.195 66.444 -44.732 1.00 0.00 C ATOM 316 C LEU A 20 37.828 66.794 -45.316 1.00 0.00 C ATOM 317 O LEU A 20 37.707 67.632 -46.189 1.00 0.00 O ATOM 318 CB LEU A 20 39.318 67.035 -43.327 1.00 0.00 C ATOM 319 CG LEU A 20 40.685 66.687 -42.714 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.497 66.369 -41.232 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.304 65.468 -43.413 1.00 0.00 C ATOM 0 H LEU A 20 40.664 67.882 -45.295 1.00 0.00 H new ATOM 0 HA LEU A 20 39.296 65.360 -44.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.197 68.117 -43.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.520 66.650 -42.693 1.00 0.00 H new ATOM 0 HG LEU A 20 41.353 67.539 -42.842 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.461 66.121 -40.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.076 67.237 -40.724 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.819 65.522 -41.125 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.270 65.242 -42.962 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.642 64.610 -43.302 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.440 65.686 -44.472 1.00 0.00 H new ATOM 333 N ARG A 21 36.797 66.168 -44.829 1.00 0.00 N ATOM 334 CA ARG A 21 35.431 66.466 -45.336 1.00 0.00 C ATOM 335 C ARG A 21 34.466 66.452 -44.160 1.00 0.00 C ATOM 336 O ARG A 21 33.284 66.224 -44.308 1.00 0.00 O ATOM 337 CB ARG A 21 35.015 65.413 -46.366 1.00 0.00 C ATOM 338 CG ARG A 21 36.235 64.992 -47.187 1.00 0.00 C ATOM 339 CD ARG A 21 35.812 63.971 -48.246 1.00 0.00 C ATOM 340 NE ARG A 21 34.467 64.334 -48.776 1.00 0.00 N ATOM 341 CZ ARG A 21 34.345 64.772 -50.000 1.00 0.00 C ATOM 342 NH1 ARG A 21 33.985 66.006 -50.218 1.00 0.00 N ATOM 343 NH2 ARG A 21 34.583 63.973 -51.006 1.00 0.00 N ATOM 0 H ARG A 21 36.841 65.459 -44.097 1.00 0.00 H new ATOM 0 HA ARG A 21 35.417 67.444 -45.817 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.585 64.547 -45.863 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.243 65.816 -47.022 1.00 0.00 H new ATOM 0 HG2 ARG A 21 36.683 65.863 -47.665 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.994 64.561 -46.534 1.00 0.00 H new ATOM 0 HD2 ARG A 21 36.540 63.949 -49.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.786 62.971 -47.813 1.00 0.00 H new ATOM 0 HE ARG A 21 33.642 64.240 -48.183 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.799 66.629 -49.432 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.890 66.348 -51.174 1.00 0.00 H new ATOM 0 HH21 ARG A 21 34.864 63.007 -50.835 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.488 64.315 -51.962 1.00 0.00 H new ATOM 357 N LYS A 22 34.989 66.705 -42.995 1.00 0.00 N ATOM 358 CA LYS A 22 34.160 66.727 -41.756 1.00 0.00 C ATOM 359 C LYS A 22 33.042 65.686 -41.841 1.00 0.00 C ATOM 360 O LYS A 22 31.995 65.924 -42.411 1.00 0.00 O ATOM 361 CB LYS A 22 33.553 68.116 -41.582 1.00 0.00 C ATOM 362 CG LYS A 22 34.609 69.165 -41.920 1.00 0.00 C ATOM 363 CD LYS A 22 34.141 69.997 -43.114 1.00 0.00 C ATOM 364 CE LYS A 22 33.303 71.178 -42.619 1.00 0.00 C ATOM 365 NZ LYS A 22 32.140 71.377 -43.528 1.00 0.00 N ATOM 0 H LYS A 22 35.978 66.902 -42.845 1.00 0.00 H new ATOM 0 HA LYS A 22 34.793 66.489 -40.901 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.686 68.232 -42.232 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.204 68.249 -40.558 1.00 0.00 H new ATOM 0 HG2 LYS A 22 34.783 69.811 -41.059 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.557 68.680 -42.151 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.001 70.359 -43.677 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.552 69.379 -43.792 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.956 70.991 -41.603 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.912 72.082 -42.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.570 72.180 -43.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.481 71.574 -44.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.555 70.517 -43.537 1.00 0.00 H new ATOM 379 N GLY A 23 33.256 64.536 -41.275 1.00 0.00 N ATOM 380 CA GLY A 23 32.213 63.474 -41.320 1.00 0.00 C ATOM 381 C GLY A 23 32.870 62.154 -41.716 1.00 0.00 C ATOM 382 O GLY A 23 32.990 61.245 -40.919 1.00 0.00 O ATOM 0 H GLY A 23 34.111 64.282 -40.780 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.730 63.378 -40.348 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.436 63.739 -42.037 1.00 0.00 H new ATOM 386 N ASP A 24 33.310 62.046 -42.939 1.00 0.00 N ATOM 387 CA ASP A 24 33.974 60.789 -43.374 1.00 0.00 C ATOM 388 C ASP A 24 35.108 60.475 -42.401 1.00 0.00 C ATOM 389 O ASP A 24 35.819 61.356 -41.960 1.00 0.00 O ATOM 390 CB ASP A 24 34.543 60.970 -44.783 1.00 0.00 C ATOM 391 CG ASP A 24 33.425 60.793 -45.812 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.581 59.937 -45.600 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.431 61.516 -46.794 1.00 0.00 O ATOM 0 H ASP A 24 33.238 62.772 -43.652 1.00 0.00 H new ATOM 0 HA ASP A 24 33.254 59.971 -43.384 1.00 0.00 H new ATOM 0 HB2 ASP A 24 34.989 61.959 -44.882 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.335 60.243 -44.963 1.00 0.00 H new ATOM 398 N GLU A 25 35.280 59.233 -42.049 1.00 0.00 N ATOM 399 CA GLU A 25 36.364 58.883 -41.091 1.00 0.00 C ATOM 400 C GLU A 25 37.624 58.484 -41.855 1.00 0.00 C ATOM 401 O GLU A 25 37.577 58.140 -43.019 1.00 0.00 O ATOM 402 CB GLU A 25 35.912 57.721 -40.204 1.00 0.00 C ATOM 403 CG GLU A 25 34.406 57.820 -39.961 1.00 0.00 C ATOM 404 CD GLU A 25 33.680 56.782 -40.819 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.104 56.570 -41.943 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.713 56.216 -40.337 1.00 0.00 O ATOM 0 H GLU A 25 34.720 58.448 -42.381 1.00 0.00 H new ATOM 0 HA GLU A 25 36.583 59.750 -40.468 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.152 56.771 -40.681 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.447 57.745 -39.254 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.186 57.654 -38.907 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.053 58.821 -40.207 1.00 0.00 H new ATOM 413 N TYR A 26 38.750 58.534 -41.202 1.00 0.00 N ATOM 414 CA TYR A 26 40.027 58.172 -41.870 1.00 0.00 C ATOM 415 C TYR A 26 40.679 56.999 -41.131 1.00 0.00 C ATOM 416 O TYR A 26 40.953 57.069 -39.947 1.00 0.00 O ATOM 417 CB TYR A 26 40.965 59.383 -41.848 1.00 0.00 C ATOM 418 CG TYR A 26 40.198 60.625 -42.245 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.176 60.539 -43.198 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.510 61.864 -41.670 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.468 61.682 -43.576 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.802 63.010 -42.051 1.00 0.00 C ATOM 423 CZ TYR A 26 38.781 62.918 -43.004 1.00 0.00 C ATOM 424 OH TYR A 26 38.086 64.045 -43.387 1.00 0.00 O ATOM 0 H TYR A 26 38.840 58.813 -40.225 1.00 0.00 H new ATOM 0 HA TYR A 26 39.832 57.879 -42.902 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.390 59.509 -40.852 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.798 59.223 -42.533 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.934 59.585 -43.643 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.296 61.935 -40.933 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.679 61.611 -44.310 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.044 63.966 -41.609 1.00 0.00 H new ATOM 0 HH TYR A 26 37.835 63.969 -44.331 1.00 0.00 H new ATOM 434 N PHE A 27 40.936 55.924 -41.829 1.00 0.00 N ATOM 435 CA PHE A 27 41.577 54.740 -41.189 1.00 0.00 C ATOM 436 C PHE A 27 43.069 55.004 -41.066 1.00 0.00 C ATOM 437 O PHE A 27 43.733 55.323 -42.032 1.00 0.00 O ATOM 438 CB PHE A 27 41.345 53.499 -42.053 1.00 0.00 C ATOM 439 CG PHE A 27 39.926 53.498 -42.567 1.00 0.00 C ATOM 440 CD1 PHE A 27 38.879 53.913 -41.735 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.656 53.081 -43.876 1.00 0.00 C ATOM 442 CE1 PHE A 27 37.563 53.911 -42.213 1.00 0.00 C ATOM 443 CE2 PHE A 27 38.341 53.078 -44.354 1.00 0.00 C ATOM 444 CZ PHE A 27 37.294 53.493 -43.522 1.00 0.00 C ATOM 0 H PHE A 27 40.727 55.816 -42.822 1.00 0.00 H new ATOM 0 HA PHE A 27 41.145 54.571 -40.203 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.045 53.489 -42.888 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.532 52.597 -41.470 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.086 54.234 -40.725 1.00 0.00 H new ATOM 0 HD2 PHE A 27 40.464 52.761 -44.518 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.755 54.232 -41.572 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.134 52.756 -45.364 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.279 53.491 -43.890 1.00 0.00 H new ATOM 454 N ILE A 28 43.598 54.894 -39.883 1.00 0.00 N ATOM 455 CA ILE A 28 45.042 55.173 -39.692 1.00 0.00 C ATOM 456 C ILE A 28 45.894 53.992 -40.116 1.00 0.00 C ATOM 457 O ILE A 28 45.966 52.975 -39.456 1.00 0.00 O ATOM 458 CB ILE A 28 45.303 55.497 -38.229 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.258 56.509 -37.730 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.706 56.088 -38.095 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.880 57.488 -38.853 1.00 0.00 C ATOM 0 H ILE A 28 43.092 54.623 -39.040 1.00 0.00 H new ATOM 0 HA ILE A 28 45.313 56.024 -40.317 1.00 0.00 H new ATOM 0 HB ILE A 28 45.230 54.590 -37.629 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.369 55.982 -37.384 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.654 57.060 -36.877 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.903 56.324 -37.049 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.441 55.365 -38.449 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.776 56.998 -38.692 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.140 58.197 -38.483 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.769 58.028 -39.179 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.463 56.934 -39.694 1.00 0.00 H new ATOM 473 N LEU A 29 46.565 54.151 -41.214 1.00 0.00 N ATOM 474 CA LEU A 29 47.458 53.091 -41.720 1.00 0.00 C ATOM 475 C LEU A 29 48.639 52.971 -40.763 1.00 0.00 C ATOM 476 O LEU A 29 49.324 51.969 -40.714 1.00 0.00 O ATOM 477 CB LEU A 29 47.958 53.512 -43.095 1.00 0.00 C ATOM 478 CG LEU A 29 46.893 53.210 -44.140 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.735 54.195 -43.981 1.00 0.00 C ATOM 480 CD2 LEU A 29 47.511 53.364 -45.529 1.00 0.00 C ATOM 0 H LEU A 29 46.529 54.990 -41.792 1.00 0.00 H new ATOM 0 HA LEU A 29 46.939 52.135 -41.790 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.193 54.576 -43.098 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.879 52.982 -43.336 1.00 0.00 H new ATOM 0 HG LEU A 29 46.520 52.194 -44.012 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.970 53.981 -44.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 45.306 54.095 -42.984 1.00 0.00 H new ATOM 0 HD13 LEU A 29 46.101 55.212 -44.118 1.00 0.00 H new ATOM 0 HD21 LEU A 29 46.758 53.150 -46.288 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.874 54.384 -45.655 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.343 52.667 -45.637 1.00 0.00 H new ATOM 492 N GLU A 30 48.872 54.002 -39.998 1.00 0.00 N ATOM 493 CA GLU A 30 50.007 53.975 -39.031 1.00 0.00 C ATOM 494 C GLU A 30 50.041 55.285 -38.240 1.00 0.00 C ATOM 495 O GLU A 30 49.253 56.181 -38.469 1.00 0.00 O ATOM 496 CB GLU A 30 51.324 53.805 -39.792 1.00 0.00 C ATOM 497 CG GLU A 30 52.167 52.720 -39.117 1.00 0.00 C ATOM 498 CD GLU A 30 53.597 53.227 -38.927 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.775 54.434 -38.874 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.490 52.402 -38.838 1.00 0.00 O ATOM 0 H GLU A 30 48.325 54.863 -40.000 1.00 0.00 H new ATOM 0 HA GLU A 30 49.874 53.140 -38.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.125 53.533 -40.829 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.871 54.748 -39.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 51.733 52.455 -38.153 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.169 51.815 -39.725 1.00 0.00 H new ATOM 507 N GLU A 31 50.947 55.402 -37.306 1.00 0.00 N ATOM 508 CA GLU A 31 51.030 56.651 -36.495 1.00 0.00 C ATOM 509 C GLU A 31 52.488 57.123 -36.426 1.00 0.00 C ATOM 510 O GLU A 31 53.325 56.696 -37.196 1.00 0.00 O ATOM 511 CB GLU A 31 50.515 56.366 -35.082 1.00 0.00 C ATOM 512 CG GLU A 31 51.223 55.132 -34.521 1.00 0.00 C ATOM 513 CD GLU A 31 51.745 55.435 -33.116 1.00 0.00 C ATOM 514 OE1 GLU A 31 52.418 56.440 -32.960 1.00 0.00 O ATOM 515 OE2 GLU A 31 51.462 54.658 -32.220 1.00 0.00 O ATOM 0 H GLU A 31 51.634 54.686 -37.070 1.00 0.00 H new ATOM 0 HA GLU A 31 50.423 57.430 -36.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.695 57.226 -34.437 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.437 56.203 -35.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.534 54.288 -34.490 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.048 54.846 -35.173 1.00 0.00 H new ATOM 522 N SER A 32 52.798 58.001 -35.507 1.00 0.00 N ATOM 523 CA SER A 32 54.199 58.501 -35.388 1.00 0.00 C ATOM 524 C SER A 32 54.297 59.464 -34.200 1.00 0.00 C ATOM 525 O SER A 32 53.410 59.537 -33.374 1.00 0.00 O ATOM 526 CB SER A 32 54.588 59.233 -36.673 1.00 0.00 C ATOM 527 OG SER A 32 55.335 58.355 -37.506 1.00 0.00 O ATOM 0 H SER A 32 52.140 58.393 -34.833 1.00 0.00 H new ATOM 0 HA SER A 32 54.875 57.660 -35.230 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.694 59.576 -37.195 1.00 0.00 H new ATOM 0 HB3 SER A 32 55.178 60.118 -36.436 1.00 0.00 H new ATOM 0 HG SER A 32 54.910 57.472 -37.515 1.00 0.00 H new ATOM 533 N ASN A 33 55.369 60.206 -34.107 1.00 0.00 N ATOM 534 CA ASN A 33 55.519 61.163 -32.971 1.00 0.00 C ATOM 535 C ASN A 33 54.868 62.498 -33.341 1.00 0.00 C ATOM 536 O ASN A 33 55.467 63.548 -33.222 1.00 0.00 O ATOM 537 CB ASN A 33 57.005 61.382 -32.682 1.00 0.00 C ATOM 538 CG ASN A 33 57.308 60.993 -31.234 1.00 0.00 C ATOM 539 OD1 ASN A 33 58.345 60.429 -30.949 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.439 61.272 -30.301 1.00 0.00 N ATOM 0 H ASN A 33 56.146 60.191 -34.767 1.00 0.00 H new ATOM 0 HA ASN A 33 55.033 60.755 -32.084 1.00 0.00 H new ATOM 0 HB2 ASN A 33 57.610 60.785 -33.364 1.00 0.00 H new ATOM 0 HB3 ASN A 33 57.269 62.426 -32.852 1.00 0.00 H new ATOM 0 HD21 ASN A 33 56.631 61.016 -29.332 1.00 0.00 H new ATOM 0 HD22 ASN A 33 55.568 61.746 -30.540 1.00 0.00 H new ATOM 547 N LEU A 34 53.646 62.462 -33.798 1.00 0.00 N ATOM 548 CA LEU A 34 52.948 63.719 -34.190 1.00 0.00 C ATOM 549 C LEU A 34 51.445 63.555 -33.943 1.00 0.00 C ATOM 550 O LEU A 34 50.977 62.456 -33.719 1.00 0.00 O ATOM 551 CB LEU A 34 53.200 63.971 -35.680 1.00 0.00 C ATOM 552 CG LEU A 34 54.519 64.721 -35.852 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.029 64.539 -37.282 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.300 66.210 -35.574 1.00 0.00 C ATOM 0 H LEU A 34 53.098 61.610 -33.917 1.00 0.00 H new ATOM 0 HA LEU A 34 53.320 64.559 -33.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.234 63.024 -36.219 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.381 64.551 -36.106 1.00 0.00 H new ATOM 0 HG LEU A 34 55.255 64.325 -35.152 1.00 0.00 H new ATOM 0 HD11 LEU A 34 55.970 65.075 -37.403 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.187 63.479 -37.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.294 64.934 -37.983 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.241 66.745 -35.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.563 66.606 -36.273 1.00 0.00 H new ATOM 0 HD23 LEU A 34 53.939 66.340 -34.554 1.00 0.00 H new ATOM 566 N PRO A 35 50.725 64.648 -34.004 1.00 0.00 N ATOM 567 CA PRO A 35 49.265 64.636 -33.806 1.00 0.00 C ATOM 568 C PRO A 35 48.590 64.021 -35.027 1.00 0.00 C ATOM 569 O PRO A 35 47.714 63.188 -34.911 1.00 0.00 O ATOM 570 CB PRO A 35 48.901 66.114 -33.647 1.00 0.00 C ATOM 571 CG PRO A 35 50.056 66.915 -34.291 1.00 0.00 C ATOM 572 CD PRO A 35 51.288 65.986 -34.286 1.00 0.00 C ATOM 0 HA PRO A 35 48.944 64.047 -32.947 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.953 66.336 -34.137 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.785 66.375 -32.595 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.801 67.215 -35.307 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.256 67.828 -33.729 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.808 66.007 -35.244 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.010 66.284 -33.525 1.00 0.00 H new ATOM 579 N TRP A 36 49.008 64.406 -36.199 1.00 0.00 N ATOM 580 CA TRP A 36 48.405 63.816 -37.421 1.00 0.00 C ATOM 581 C TRP A 36 49.065 62.463 -37.671 1.00 0.00 C ATOM 582 O TRP A 36 50.117 62.175 -37.136 1.00 0.00 O ATOM 583 CB TRP A 36 48.635 64.734 -38.627 1.00 0.00 C ATOM 584 CG TRP A 36 49.999 65.341 -38.552 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.160 64.673 -38.740 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.363 66.724 -38.275 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.214 65.558 -38.595 1.00 0.00 N ATOM 588 CE2 TRP A 36 51.773 66.834 -38.308 1.00 0.00 C ATOM 589 CE3 TRP A 36 49.613 67.882 -38.001 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.417 68.052 -38.078 1.00 0.00 C ATOM 591 CZ3 TRP A 36 50.258 69.108 -37.768 1.00 0.00 C ATOM 592 CH2 TRP A 36 51.657 69.192 -37.806 1.00 0.00 C ATOM 0 H TRP A 36 49.737 65.100 -36.362 1.00 0.00 H new ATOM 0 HA TRP A 36 47.330 63.697 -37.282 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.530 64.167 -39.552 1.00 0.00 H new ATOM 0 HB3 TRP A 36 47.879 65.519 -38.647 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.250 63.621 -38.966 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.196 65.299 -38.689 1.00 0.00 H new ATOM 0 HE3 TRP A 36 48.535 67.828 -37.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 53.495 68.112 -38.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 49.673 69.991 -37.558 1.00 0.00 H new ATOM 0 HH2 TRP A 36 52.147 70.137 -37.625 1.00 0.00 H new ATOM 603 N TRP A 37 48.468 61.621 -38.463 1.00 0.00 N ATOM 604 CA TRP A 37 49.092 60.294 -38.708 1.00 0.00 C ATOM 605 C TRP A 37 49.104 59.990 -40.201 1.00 0.00 C ATOM 606 O TRP A 37 49.034 60.878 -41.025 1.00 0.00 O ATOM 607 CB TRP A 37 48.302 59.211 -37.971 1.00 0.00 C ATOM 608 CG TRP A 37 47.876 59.736 -36.638 1.00 0.00 C ATOM 609 CD1 TRP A 37 46.674 60.296 -36.376 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.621 59.763 -35.386 1.00 0.00 C ATOM 611 NE1 TRP A 37 46.633 60.664 -35.045 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.808 60.357 -34.392 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.908 59.334 -35.018 1.00 0.00 C ATOM 614 CZ2 TRP A 37 48.255 60.520 -33.081 1.00 0.00 C ATOM 615 CZ3 TRP A 37 50.361 59.497 -33.697 1.00 0.00 C ATOM 616 CH2 TRP A 37 49.536 60.089 -32.732 1.00 0.00 C ATOM 0 H TRP A 37 47.586 61.790 -38.946 1.00 0.00 H new ATOM 0 HA TRP A 37 50.118 60.310 -38.340 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.430 58.918 -38.556 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.915 58.319 -37.845 1.00 0.00 H new ATOM 0 HD1 TRP A 37 45.876 60.433 -37.091 1.00 0.00 H new ATOM 0 HE1 TRP A 37 45.831 61.109 -34.599 1.00 0.00 H new ATOM 0 HE3 TRP A 37 50.552 58.877 -35.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.614 60.977 -32.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 51.351 59.164 -33.425 1.00 0.00 H new ATOM 0 HH2 TRP A 37 49.891 60.212 -31.719 1.00 0.00 H new ATOM 627 N ARG A 38 49.174 58.738 -40.545 1.00 0.00 N ATOM 628 CA ARG A 38 49.173 58.341 -41.977 1.00 0.00 C ATOM 629 C ARG A 38 47.920 57.515 -42.217 1.00 0.00 C ATOM 630 O ARG A 38 47.888 56.326 -41.972 1.00 0.00 O ATOM 631 CB ARG A 38 50.416 57.502 -42.286 1.00 0.00 C ATOM 632 CG ARG A 38 50.896 57.805 -43.707 1.00 0.00 C ATOM 633 CD ARG A 38 50.106 56.957 -44.705 1.00 0.00 C ATOM 634 NE ARG A 38 51.052 56.269 -45.629 1.00 0.00 N ATOM 635 CZ ARG A 38 50.593 55.514 -46.589 1.00 0.00 C ATOM 636 NH1 ARG A 38 50.664 54.215 -46.488 1.00 0.00 N ATOM 637 NH2 ARG A 38 50.064 56.058 -47.651 1.00 0.00 N ATOM 0 H ARG A 38 49.233 57.962 -39.886 1.00 0.00 H new ATOM 0 HA ARG A 38 49.186 59.220 -42.621 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.206 57.725 -41.569 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.186 56.441 -42.187 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.764 58.864 -43.929 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.961 57.592 -43.796 1.00 0.00 H new ATOM 0 HD2 ARG A 38 49.500 56.223 -44.175 1.00 0.00 H new ATOM 0 HD3 ARG A 38 49.421 57.587 -45.272 1.00 0.00 H new ATOM 0 HE ARG A 38 52.058 56.388 -45.511 1.00 0.00 H new ATOM 0 HH11 ARG A 38 51.078 53.790 -45.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 50.305 53.625 -47.238 1.00 0.00 H new ATOM 0 HH21 ARG A 38 50.009 57.073 -47.730 1.00 0.00 H new ATOM 0 HH22 ARG A 38 49.705 55.468 -48.401 1.00 0.00 H new ATOM 651 N ALA A 39 46.872 58.144 -42.650 1.00 0.00 N ATOM 652 CA ALA A 39 45.604 57.407 -42.856 1.00 0.00 C ATOM 653 C ALA A 39 45.051 57.673 -44.254 1.00 0.00 C ATOM 654 O ALA A 39 45.341 58.680 -44.868 1.00 0.00 O ATOM 655 CB ALA A 39 44.591 57.917 -41.828 1.00 0.00 C ATOM 0 H ALA A 39 46.838 59.139 -42.871 1.00 0.00 H new ATOM 0 HA ALA A 39 45.783 56.338 -42.744 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.645 57.390 -41.957 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.972 57.738 -40.822 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.433 58.986 -41.972 1.00 0.00 H new ATOM 661 N ARG A 40 44.225 56.792 -44.743 1.00 0.00 N ATOM 662 CA ARG A 40 43.616 57.008 -46.080 1.00 0.00 C ATOM 663 C ARG A 40 42.198 57.527 -45.861 1.00 0.00 C ATOM 664 O ARG A 40 41.296 56.779 -45.540 1.00 0.00 O ATOM 665 CB ARG A 40 43.573 55.690 -46.857 1.00 0.00 C ATOM 666 CG ARG A 40 42.927 55.924 -48.225 1.00 0.00 C ATOM 667 CD ARG A 40 41.883 54.837 -48.488 1.00 0.00 C ATOM 668 NE ARG A 40 42.565 53.526 -48.675 1.00 0.00 N ATOM 669 CZ ARG A 40 42.066 52.642 -49.494 1.00 0.00 C ATOM 670 NH1 ARG A 40 41.618 53.013 -50.662 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.015 51.385 -49.145 1.00 0.00 N ATOM 0 H ARG A 40 43.946 55.931 -44.272 1.00 0.00 H new ATOM 0 HA ARG A 40 44.203 57.723 -46.656 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.582 55.296 -46.982 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.007 54.945 -46.298 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.459 56.908 -48.255 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.688 55.909 -49.006 1.00 0.00 H new ATOM 0 HD2 ARG A 40 41.185 54.779 -47.653 1.00 0.00 H new ATOM 0 HD3 ARG A 40 41.300 55.085 -49.375 1.00 0.00 H new ATOM 0 HE ARG A 40 43.422 53.320 -48.162 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.658 53.995 -50.935 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.228 52.321 -51.302 1.00 0.00 H new ATOM 0 HH21 ARG A 40 42.365 51.095 -48.232 1.00 0.00 H new ATOM 0 HH22 ARG A 40 41.625 50.693 -49.785 1.00 0.00 H new ATOM 685 N ASP A 41 41.998 58.805 -46.004 1.00 0.00 N ATOM 686 CA ASP A 41 40.639 59.365 -45.768 1.00 0.00 C ATOM 687 C ASP A 41 39.599 58.546 -46.532 1.00 0.00 C ATOM 688 O ASP A 41 39.922 57.773 -47.411 1.00 0.00 O ATOM 689 CB ASP A 41 40.592 60.823 -46.224 1.00 0.00 C ATOM 690 CG ASP A 41 41.343 60.971 -47.549 1.00 0.00 C ATOM 691 OD1 ASP A 41 42.561 60.914 -47.526 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.687 61.141 -48.563 1.00 0.00 O ATOM 0 H ASP A 41 42.711 59.483 -46.272 1.00 0.00 H new ATOM 0 HA ASP A 41 40.414 59.318 -44.702 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.557 61.144 -46.343 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.040 61.466 -45.467 1.00 0.00 H new ATOM 697 N LYS A 42 38.348 58.713 -46.198 1.00 0.00 N ATOM 698 CA LYS A 42 37.278 57.946 -46.895 1.00 0.00 C ATOM 699 C LYS A 42 37.148 58.438 -48.338 1.00 0.00 C ATOM 700 O LYS A 42 36.408 57.884 -49.128 1.00 0.00 O ATOM 701 CB LYS A 42 35.949 58.149 -46.165 1.00 0.00 C ATOM 702 CG LYS A 42 35.248 56.802 -45.991 1.00 0.00 C ATOM 703 CD LYS A 42 34.523 56.774 -44.644 1.00 0.00 C ATOM 704 CE LYS A 42 33.034 56.505 -44.872 1.00 0.00 C ATOM 705 NZ LYS A 42 32.843 55.083 -45.276 1.00 0.00 N ATOM 0 H LYS A 42 38.021 59.349 -45.471 1.00 0.00 H new ATOM 0 HA LYS A 42 37.535 56.887 -46.897 1.00 0.00 H new ATOM 0 HB2 LYS A 42 36.124 58.608 -45.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.313 58.831 -46.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.537 56.643 -46.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.976 55.992 -46.041 1.00 0.00 H new ATOM 0 HD2 LYS A 42 34.950 56.001 -44.005 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.657 57.724 -44.127 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.472 56.714 -43.962 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.648 57.169 -45.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.827 54.886 -45.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.325 54.912 -46.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.243 54.458 -44.547 1.00 0.00 H new ATOM 719 N ASN A 43 37.866 59.469 -48.694 1.00 0.00 N ATOM 720 CA ASN A 43 37.786 59.986 -50.087 1.00 0.00 C ATOM 721 C ASN A 43 38.655 59.121 -51.001 1.00 0.00 C ATOM 722 O ASN A 43 38.843 59.423 -52.163 1.00 0.00 O ATOM 723 CB ASN A 43 38.289 61.431 -50.124 1.00 0.00 C ATOM 724 CG ASN A 43 37.487 62.226 -51.156 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.329 61.944 -51.391 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.058 63.214 -51.788 1.00 0.00 N ATOM 0 H ASN A 43 38.504 59.974 -48.079 1.00 0.00 H new ATOM 0 HA ASN A 43 36.752 59.952 -50.429 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.188 61.887 -49.139 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.349 61.452 -50.377 1.00 0.00 H new ATOM 0 HD21 ASN A 43 37.532 63.749 -52.479 1.00 0.00 H new ATOM 0 HD22 ASN A 43 39.030 63.451 -51.591 1.00 0.00 H new ATOM 733 N GLY A 44 39.189 58.046 -50.488 1.00 0.00 N ATOM 734 CA GLY A 44 40.046 57.169 -51.327 1.00 0.00 C ATOM 735 C GLY A 44 41.385 57.860 -51.573 1.00 0.00 C ATOM 736 O GLY A 44 41.911 57.845 -52.669 1.00 0.00 O ATOM 0 H GLY A 44 39.067 57.739 -49.523 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.203 56.212 -50.830 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.552 56.958 -52.276 1.00 0.00 H new ATOM 740 N GLN A 45 41.944 58.467 -50.562 1.00 0.00 N ATOM 741 CA GLN A 45 43.248 59.156 -50.743 1.00 0.00 C ATOM 742 C GLN A 45 44.155 58.822 -49.562 1.00 0.00 C ATOM 743 O GLN A 45 43.878 59.177 -48.430 1.00 0.00 O ATOM 744 CB GLN A 45 43.024 60.668 -50.806 1.00 0.00 C ATOM 745 CG GLN A 45 43.668 61.226 -52.077 1.00 0.00 C ATOM 746 CD GLN A 45 43.196 62.664 -52.300 1.00 0.00 C ATOM 747 OE1 GLN A 45 43.889 63.602 -51.962 1.00 0.00 O ATOM 748 NE2 GLN A 45 42.037 62.878 -52.859 1.00 0.00 N ATOM 0 H GLN A 45 41.553 58.514 -49.621 1.00 0.00 H new ATOM 0 HA GLN A 45 43.714 58.824 -51.671 1.00 0.00 H new ATOM 0 HB2 GLN A 45 41.957 60.889 -50.799 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.454 61.147 -49.927 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.754 61.198 -51.989 1.00 0.00 H new ATOM 0 HG3 GLN A 45 43.401 60.608 -52.934 1.00 0.00 H new ATOM 0 HE21 GLN A 45 41.455 62.090 -53.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 41.713 63.833 -53.012 1.00 0.00 H new ATOM 757 N GLU A 46 45.237 58.140 -49.814 1.00 0.00 N ATOM 758 CA GLU A 46 46.159 57.787 -48.705 1.00 0.00 C ATOM 759 C GLU A 46 47.030 58.992 -48.382 1.00 0.00 C ATOM 760 O GLU A 46 47.692 59.546 -49.237 1.00 0.00 O ATOM 761 CB GLU A 46 47.041 56.610 -49.115 1.00 0.00 C ATOM 762 CG GLU A 46 46.186 55.542 -49.798 1.00 0.00 C ATOM 763 CD GLU A 46 47.093 54.499 -50.453 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.295 54.710 -50.463 1.00 0.00 O ATOM 765 OE2 GLU A 46 46.571 53.507 -50.933 1.00 0.00 O ATOM 0 H GLU A 46 45.520 57.814 -50.738 1.00 0.00 H new ATOM 0 HA GLU A 46 45.580 57.504 -47.826 1.00 0.00 H new ATOM 0 HB2 GLU A 46 47.826 56.949 -49.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.534 56.190 -48.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.533 55.064 -49.068 1.00 0.00 H new ATOM 0 HG3 GLU A 46 45.543 56.002 -50.548 1.00 0.00 H new ATOM 772 N GLY A 47 47.028 59.405 -47.152 1.00 0.00 N ATOM 773 CA GLY A 47 47.846 60.580 -46.760 1.00 0.00 C ATOM 774 C GLY A 47 47.877 60.685 -45.240 1.00 0.00 C ATOM 775 O GLY A 47 47.705 59.708 -44.539 1.00 0.00 O ATOM 0 H GLY A 47 46.493 58.978 -46.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.859 60.479 -47.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.427 61.490 -47.191 1.00 0.00 H new ATOM 779 N TYR A 48 48.082 61.859 -44.723 1.00 0.00 N ATOM 780 CA TYR A 48 48.108 62.019 -43.247 1.00 0.00 C ATOM 781 C TYR A 48 46.912 62.869 -42.826 1.00 0.00 C ATOM 782 O TYR A 48 46.352 63.591 -43.616 1.00 0.00 O ATOM 783 CB TYR A 48 49.407 62.710 -42.824 1.00 0.00 C ATOM 784 CG TYR A 48 50.588 61.888 -43.281 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.907 61.817 -44.642 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.365 61.199 -42.343 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.003 61.056 -45.065 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.461 60.437 -42.766 1.00 0.00 C ATOM 789 CZ TYR A 48 52.780 60.365 -44.128 1.00 0.00 C ATOM 790 OH TYR A 48 53.860 59.615 -44.544 1.00 0.00 O ATOM 0 H TYR A 48 48.233 62.715 -45.257 1.00 0.00 H new ATOM 0 HA TYR A 48 48.056 61.042 -42.767 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.457 63.709 -43.256 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.431 62.830 -41.741 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.308 62.349 -45.366 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.119 61.255 -41.293 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.249 61.002 -46.115 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.060 59.905 -42.042 1.00 0.00 H new ATOM 0 HH TYR A 48 54.290 59.202 -43.766 1.00 0.00 H new ATOM 800 N ILE A 49 46.503 62.793 -41.597 1.00 0.00 N ATOM 801 CA ILE A 49 45.334 63.615 -41.177 1.00 0.00 C ATOM 802 C ILE A 49 45.590 64.171 -39.772 1.00 0.00 C ATOM 803 O ILE A 49 46.257 63.542 -38.980 1.00 0.00 O ATOM 804 CB ILE A 49 44.046 62.781 -41.187 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.374 61.285 -41.157 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.230 63.094 -42.443 1.00 0.00 C ATOM 807 CD1 ILE A 49 44.988 60.875 -42.494 1.00 0.00 C ATOM 0 H ILE A 49 46.917 62.208 -40.871 1.00 0.00 H new ATOM 0 HA ILE A 49 45.208 64.437 -41.882 1.00 0.00 H new ATOM 0 HB ILE A 49 43.466 63.036 -40.300 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.067 61.069 -40.344 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.470 60.707 -40.967 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.318 62.498 -42.442 1.00 0.00 H new ATOM 0 HG22 ILE A 49 42.972 64.153 -42.454 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.819 62.855 -43.328 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.223 59.811 -42.476 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.279 61.077 -43.297 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.901 61.445 -42.665 1.00 0.00 H new ATOM 819 N PRO A 50 45.070 65.347 -39.516 1.00 0.00 N ATOM 820 CA PRO A 50 45.244 66.040 -38.220 1.00 0.00 C ATOM 821 C PRO A 50 44.315 65.475 -37.142 1.00 0.00 C ATOM 822 O PRO A 50 43.132 65.299 -37.355 1.00 0.00 O ATOM 823 CB PRO A 50 44.871 67.490 -38.541 1.00 0.00 C ATOM 824 CG PRO A 50 43.976 67.444 -39.804 1.00 0.00 C ATOM 825 CD PRO A 50 44.256 66.096 -40.495 1.00 0.00 C ATOM 0 HA PRO A 50 46.253 65.926 -37.823 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.341 67.948 -37.706 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.763 68.090 -38.719 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.923 67.530 -39.536 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.204 68.276 -40.471 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.331 65.569 -40.729 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.791 66.234 -41.435 1.00 0.00 H new ATOM 832 N SER A 51 44.843 65.208 -35.973 1.00 0.00 N ATOM 833 CA SER A 51 43.992 64.679 -34.876 1.00 0.00 C ATOM 834 C SER A 51 43.587 65.836 -33.961 1.00 0.00 C ATOM 835 O SER A 51 42.608 65.759 -33.248 1.00 0.00 O ATOM 836 CB SER A 51 44.775 63.646 -34.070 1.00 0.00 C ATOM 837 OG SER A 51 45.159 62.580 -34.926 1.00 0.00 O ATOM 0 H SER A 51 45.827 65.335 -35.736 1.00 0.00 H new ATOM 0 HA SER A 51 43.103 64.207 -35.296 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.657 64.107 -33.625 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.165 63.268 -33.250 1.00 0.00 H new ATOM 0 HG SER A 51 46.136 62.511 -34.944 1.00 0.00 H new ATOM 843 N ASN A 52 44.333 66.914 -33.985 1.00 0.00 N ATOM 844 CA ASN A 52 43.988 68.082 -33.124 1.00 0.00 C ATOM 845 C ASN A 52 42.478 68.301 -33.183 1.00 0.00 C ATOM 846 O ASN A 52 41.858 68.719 -32.226 1.00 0.00 O ATOM 847 CB ASN A 52 44.710 69.330 -33.636 1.00 0.00 C ATOM 848 CG ASN A 52 44.696 69.339 -35.166 1.00 0.00 C ATOM 849 OD1 ASN A 52 45.068 68.367 -35.794 1.00 0.00 O ATOM 850 ND2 ASN A 52 44.280 70.402 -35.797 1.00 0.00 N ATOM 0 H ASN A 52 45.164 67.033 -34.564 1.00 0.00 H new ATOM 0 HA ASN A 52 44.297 67.892 -32.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.224 70.227 -33.252 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.737 69.344 -33.271 1.00 0.00 H new ATOM 0 HD21 ASN A 52 44.267 70.417 -36.817 1.00 0.00 H new ATOM 0 HD22 ASN A 52 43.968 71.218 -35.271 1.00 0.00 H new ATOM 857 N TYR A 53 41.883 67.990 -34.300 1.00 0.00 N ATOM 858 CA TYR A 53 40.410 68.142 -34.435 1.00 0.00 C ATOM 859 C TYR A 53 39.831 66.747 -34.683 1.00 0.00 C ATOM 860 O TYR A 53 40.038 65.855 -33.885 1.00 0.00 O ATOM 861 CB TYR A 53 40.097 69.076 -35.606 1.00 0.00 C ATOM 862 CG TYR A 53 40.584 70.468 -35.282 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.060 71.152 -34.179 1.00 0.00 C ATOM 864 CD2 TYR A 53 41.558 71.074 -36.084 1.00 0.00 C ATOM 865 CE1 TYR A 53 40.512 72.442 -33.876 1.00 0.00 C ATOM 866 CE2 TYR A 53 42.009 72.364 -35.782 1.00 0.00 C ATOM 867 CZ TYR A 53 41.486 73.048 -34.679 1.00 0.00 C ATOM 868 OH TYR A 53 41.931 74.320 -34.380 1.00 0.00 O ATOM 0 H TYR A 53 42.358 67.635 -35.130 1.00 0.00 H new ATOM 0 HA TYR A 53 39.972 68.575 -33.536 1.00 0.00 H new ATOM 0 HB2 TYR A 53 40.578 68.713 -36.514 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.024 69.090 -35.798 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.307 70.685 -33.562 1.00 0.00 H new ATOM 0 HD2 TYR A 53 41.961 70.546 -36.936 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.110 72.969 -33.024 1.00 0.00 H new ATOM 0 HE2 TYR A 53 42.761 72.832 -36.400 1.00 0.00 H new ATOM 0 HH TYR A 53 42.607 74.592 -35.035 1.00 0.00 H new ATOM 878 N VAL A 54 39.148 66.537 -35.789 1.00 0.00 N ATOM 879 CA VAL A 54 38.595 65.178 -36.099 1.00 0.00 C ATOM 880 C VAL A 54 38.240 64.440 -34.819 1.00 0.00 C ATOM 881 O VAL A 54 37.880 65.031 -33.820 1.00 0.00 O ATOM 882 CB VAL A 54 39.669 64.395 -36.855 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.207 65.263 -37.985 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.806 64.038 -35.898 1.00 0.00 C ATOM 0 H VAL A 54 38.951 67.251 -36.490 1.00 0.00 H new ATOM 0 HA VAL A 54 37.690 65.277 -36.698 1.00 0.00 H new ATOM 0 HB VAL A 54 39.243 63.479 -37.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 40.974 64.714 -38.531 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.394 65.523 -38.663 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.638 66.174 -37.570 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.572 63.480 -36.436 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.240 64.952 -35.492 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.417 63.428 -35.083 1.00 0.00 H new ATOM 894 N THR A 55 38.344 63.151 -34.842 1.00 0.00 N ATOM 895 CA THR A 55 38.025 62.370 -33.632 1.00 0.00 C ATOM 896 C THR A 55 38.393 60.905 -33.870 1.00 0.00 C ATOM 897 O THR A 55 39.439 60.629 -34.416 1.00 0.00 O ATOM 898 CB THR A 55 36.547 62.552 -33.315 1.00 0.00 C ATOM 899 OG1 THR A 55 36.274 62.077 -32.004 1.00 0.00 O ATOM 900 CG2 THR A 55 35.692 61.801 -34.329 1.00 0.00 C ATOM 0 H THR A 55 38.638 62.603 -35.651 1.00 0.00 H new ATOM 0 HA THR A 55 38.600 62.716 -32.773 1.00 0.00 H new ATOM 0 HB THR A 55 36.303 63.613 -33.370 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.322 62.198 -31.804 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.638 61.940 -34.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.891 62.186 -35.329 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.935 60.739 -34.294 1.00 0.00 H new ATOM 908 N GLU A 56 37.570 59.967 -33.464 1.00 0.00 N ATOM 909 CA GLU A 56 37.917 58.521 -33.661 1.00 0.00 C ATOM 910 C GLU A 56 39.433 58.340 -33.484 1.00 0.00 C ATOM 911 O GLU A 56 39.999 58.800 -32.513 1.00 0.00 O ATOM 912 CB GLU A 56 37.475 58.060 -35.050 1.00 0.00 C ATOM 913 CG GLU A 56 35.960 58.232 -35.185 1.00 0.00 C ATOM 914 CD GLU A 56 35.251 57.137 -34.386 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.483 55.975 -34.676 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.486 57.479 -33.499 1.00 0.00 O ATOM 0 H GLU A 56 36.675 60.139 -33.006 1.00 0.00 H new ATOM 0 HA GLU A 56 37.397 57.913 -32.921 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.988 58.640 -35.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.749 57.016 -35.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.661 59.215 -34.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.669 58.178 -36.234 1.00 0.00 H new ATOM 923 N ALA A 57 40.106 57.707 -34.408 1.00 0.00 N ATOM 924 CA ALA A 57 41.580 57.557 -34.254 1.00 0.00 C ATOM 925 C ALA A 57 42.199 58.947 -34.065 1.00 0.00 C ATOM 926 O ALA A 57 41.657 59.939 -34.506 1.00 0.00 O ATOM 927 CB ALA A 57 42.166 56.898 -35.504 1.00 0.00 C ATOM 0 H ALA A 57 39.705 57.293 -35.250 1.00 0.00 H new ATOM 0 HA ALA A 57 41.800 56.931 -33.389 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.244 56.790 -35.387 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.716 55.915 -35.642 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.956 57.519 -36.375 1.00 0.00 H new ATOM 933 N GLU A 58 43.324 59.032 -33.410 1.00 0.00 N ATOM 934 CA GLU A 58 43.960 60.366 -33.194 1.00 0.00 C ATOM 935 C GLU A 58 45.321 60.178 -32.522 1.00 0.00 C ATOM 936 O GLU A 58 45.637 60.959 -31.639 1.00 0.00 O ATOM 937 CB GLU A 58 43.063 61.216 -32.291 1.00 0.00 C ATOM 938 CG GLU A 58 42.566 60.367 -31.120 1.00 0.00 C ATOM 939 CD GLU A 58 42.595 61.200 -29.837 1.00 0.00 C ATOM 940 OE1 GLU A 58 43.284 62.206 -29.824 1.00 0.00 O ATOM 941 OE2 GLU A 58 41.929 60.816 -28.890 1.00 0.00 O ATOM 942 OXT GLU A 58 46.025 59.256 -32.901 1.00 0.00 O ATOM 0 H GLU A 58 43.830 58.239 -33.015 1.00 0.00 H new ATOM 0 HA GLU A 58 44.092 60.866 -34.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.616 62.079 -31.919 1.00 0.00 H new ATOM 0 HB3 GLU A 58 42.217 61.601 -32.860 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.553 60.016 -31.316 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.193 59.483 -31.006 1.00 0.00 H new TER 949 GLU A 58