USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 410 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 32 SER OG : rot 180:sc= 0.133 USER MOD Set 1.2: A 33 ASN : amide:sc= -1.62 K(o=-1.5,f=-4.1!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.679 K(o=-0.68,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 33:sc= -6.97! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.64! C(o=-2.6!,f=-6.9!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 99:sc= -0.0867 USER MOD Single : A 52 ASN : amide:sc= -8.05! C(o=-8.1!,f=-19!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 36:sc= 0.0501 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 40.114 54.302 -36.596 1.00 0.00 N ATOM 45 CA LYS A 3 39.540 55.105 -37.712 1.00 0.00 C ATOM 46 C LYS A 3 39.395 56.564 -37.271 1.00 0.00 C ATOM 47 O LYS A 3 38.318 57.018 -36.943 1.00 0.00 O ATOM 48 CB LYS A 3 38.165 54.546 -38.087 1.00 0.00 C ATOM 49 CG LYS A 3 38.296 53.658 -39.325 1.00 0.00 C ATOM 50 CD LYS A 3 36.998 52.876 -39.535 1.00 0.00 C ATOM 51 CE LYS A 3 36.334 53.330 -40.835 1.00 0.00 C ATOM 52 NZ LYS A 3 36.690 52.386 -41.932 1.00 0.00 N ATOM 0 HA LYS A 3 40.203 55.052 -38.576 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.755 53.972 -37.256 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.470 55.362 -38.284 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.510 54.269 -40.202 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.132 52.969 -39.204 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.207 51.807 -39.575 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.324 53.037 -38.694 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.252 53.367 -40.709 1.00 0.00 H new ATOM 0 HE3 LYS A 3 36.660 54.339 -41.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.238 52.695 -42.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 37.722 52.373 -42.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 36.358 51.431 -41.689 1.00 0.00 H new ATOM 66 N VAL A 4 40.473 57.304 -37.268 1.00 0.00 N ATOM 67 CA VAL A 4 40.396 58.735 -36.852 1.00 0.00 C ATOM 68 C VAL A 4 39.379 59.448 -37.753 1.00 0.00 C ATOM 69 O VAL A 4 39.565 59.556 -38.948 1.00 0.00 O ATOM 70 CB VAL A 4 41.784 59.372 -37.005 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.084 59.611 -38.485 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.832 60.706 -36.263 1.00 0.00 C ATOM 0 H VAL A 4 41.402 56.979 -37.535 1.00 0.00 H new ATOM 0 HA VAL A 4 40.080 58.820 -35.812 1.00 0.00 H new ATOM 0 HB VAL A 4 42.528 58.696 -36.584 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.070 60.063 -38.588 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.063 58.661 -39.019 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.333 60.280 -38.905 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.821 61.150 -36.377 1.00 0.00 H new ATOM 0 HG22 VAL A 4 41.081 61.380 -36.676 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.628 60.541 -35.205 1.00 0.00 H new ATOM 82 N VAL A 5 38.289 59.904 -37.199 1.00 0.00 N ATOM 83 CA VAL A 5 37.253 60.574 -38.042 1.00 0.00 C ATOM 84 C VAL A 5 37.491 62.080 -38.145 1.00 0.00 C ATOM 85 O VAL A 5 37.850 62.728 -37.187 1.00 0.00 O ATOM 86 CB VAL A 5 35.868 60.321 -37.472 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.790 60.909 -36.071 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.836 60.995 -38.372 1.00 0.00 C ATOM 0 H VAL A 5 38.070 59.843 -36.205 1.00 0.00 H new ATOM 0 HA VAL A 5 37.325 60.149 -39.043 1.00 0.00 H new ATOM 0 HB VAL A 5 35.670 59.250 -37.425 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.798 60.731 -35.656 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.539 60.436 -35.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.977 61.982 -36.116 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.837 60.821 -37.973 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.030 62.067 -38.409 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.903 60.579 -39.377 1.00 0.00 H new ATOM 98 N ALA A 6 37.252 62.640 -39.299 1.00 0.00 N ATOM 99 CA ALA A 6 37.437 64.108 -39.483 1.00 0.00 C ATOM 100 C ALA A 6 36.698 64.872 -38.380 1.00 0.00 C ATOM 101 O ALA A 6 36.028 64.289 -37.551 1.00 0.00 O ATOM 102 CB ALA A 6 36.870 64.509 -40.845 1.00 0.00 C ATOM 0 H ALA A 6 36.934 62.140 -40.129 1.00 0.00 H new ATOM 0 HA ALA A 6 38.498 64.351 -39.432 1.00 0.00 H new ATOM 0 HB1 ALA A 6 36.999 65.581 -40.992 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.397 63.969 -41.632 1.00 0.00 H new ATOM 0 HB3 ALA A 6 35.809 64.263 -40.884 1.00 0.00 H new ATOM 108 N LEU A 7 36.821 66.177 -38.360 1.00 0.00 N ATOM 109 CA LEU A 7 36.133 66.976 -37.304 1.00 0.00 C ATOM 110 C LEU A 7 35.756 68.359 -37.842 1.00 0.00 C ATOM 111 O LEU A 7 34.597 68.716 -37.896 1.00 0.00 O ATOM 112 CB LEU A 7 37.078 67.158 -36.114 1.00 0.00 C ATOM 113 CG LEU A 7 36.369 66.815 -34.805 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.368 67.919 -34.461 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.633 65.479 -34.940 1.00 0.00 C ATOM 0 H LEU A 7 37.367 66.720 -39.029 1.00 0.00 H new ATOM 0 HA LEU A 7 35.230 66.448 -36.999 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.953 66.520 -36.237 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.436 68.187 -36.081 1.00 0.00 H new ATOM 0 HG LEU A 7 37.110 66.733 -34.010 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.862 67.674 -33.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.895 68.867 -34.350 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.632 68.005 -35.260 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.131 65.244 -34.002 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.895 65.549 -35.739 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.349 64.692 -35.176 1.00 0.00 H new ATOM 127 N TYR A 8 36.726 69.152 -38.216 1.00 0.00 N ATOM 128 CA TYR A 8 36.408 70.519 -38.717 1.00 0.00 C ATOM 129 C TYR A 8 36.869 70.690 -40.169 1.00 0.00 C ATOM 130 O TYR A 8 37.128 71.789 -40.617 1.00 0.00 O ATOM 131 CB TYR A 8 37.113 71.549 -37.832 1.00 0.00 C ATOM 132 CG TYR A 8 36.791 71.268 -36.382 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.468 71.351 -35.930 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.814 70.928 -35.488 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.169 71.093 -34.587 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.515 70.670 -34.145 1.00 0.00 C ATOM 137 CZ TYR A 8 36.192 70.753 -33.695 1.00 0.00 C ATOM 138 OH TYR A 8 35.897 70.500 -32.371 1.00 0.00 O ATOM 0 H TYR A 8 37.717 68.913 -38.196 1.00 0.00 H new ATOM 0 HA TYR A 8 35.329 70.666 -38.681 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.190 71.506 -37.992 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.791 72.556 -38.099 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.678 71.614 -36.618 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.835 70.865 -35.835 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.148 71.156 -34.239 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.304 70.407 -33.457 1.00 0.00 H new ATOM 0 HH TYR A 8 36.721 70.278 -31.889 1.00 0.00 H new ATOM 148 N ASP A 9 36.960 69.622 -40.913 1.00 0.00 N ATOM 149 CA ASP A 9 37.384 69.739 -42.340 1.00 0.00 C ATOM 150 C ASP A 9 38.804 70.302 -42.420 1.00 0.00 C ATOM 151 O ASP A 9 39.231 71.068 -41.579 1.00 0.00 O ATOM 152 CB ASP A 9 36.423 70.672 -43.085 1.00 0.00 C ATOM 153 CG ASP A 9 37.018 71.043 -44.445 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.431 70.141 -45.155 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.049 72.223 -44.753 1.00 0.00 O ATOM 0 H ASP A 9 36.760 68.673 -40.596 1.00 0.00 H new ATOM 0 HA ASP A 9 37.365 68.751 -42.799 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.458 70.184 -43.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.245 71.572 -42.497 1.00 0.00 H new ATOM 160 N TYR A 10 39.539 69.930 -43.434 1.00 0.00 N ATOM 161 CA TYR A 10 40.929 70.445 -43.581 1.00 0.00 C ATOM 162 C TYR A 10 41.378 70.286 -45.037 1.00 0.00 C ATOM 163 O TYR A 10 40.612 69.887 -45.892 1.00 0.00 O ATOM 164 CB TYR A 10 41.867 69.653 -42.666 1.00 0.00 C ATOM 165 CG TYR A 10 43.072 70.500 -42.330 1.00 0.00 C ATOM 166 CD1 TYR A 10 42.903 71.736 -41.695 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.357 70.049 -42.654 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.018 72.521 -41.384 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.474 70.836 -42.343 1.00 0.00 C ATOM 170 CZ TYR A 10 45.304 72.071 -41.708 1.00 0.00 C ATOM 171 OH TYR A 10 46.404 72.846 -41.401 1.00 0.00 O ATOM 0 H TYR A 10 39.235 69.290 -44.168 1.00 0.00 H new ATOM 0 HA TYR A 10 40.959 71.499 -43.304 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.345 69.365 -41.753 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.181 68.732 -43.158 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.911 72.084 -41.445 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.487 69.095 -43.143 1.00 0.00 H new ATOM 0 HE1 TYR A 10 43.887 73.474 -40.894 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.466 70.489 -42.593 1.00 0.00 H new ATOM 0 HH TYR A 10 47.219 72.387 -41.693 1.00 0.00 H new ATOM 181 N MET A 11 42.613 70.591 -45.323 1.00 0.00 N ATOM 182 CA MET A 11 43.115 70.459 -46.717 1.00 0.00 C ATOM 183 C MET A 11 44.635 70.273 -46.683 1.00 0.00 C ATOM 184 O MET A 11 45.250 70.417 -45.645 1.00 0.00 O ATOM 185 CB MET A 11 42.769 71.721 -47.519 1.00 0.00 C ATOM 186 CG MET A 11 41.573 72.437 -46.884 1.00 0.00 C ATOM 187 SD MET A 11 41.131 73.878 -47.885 1.00 0.00 S ATOM 188 CE MET A 11 39.421 73.400 -48.231 1.00 0.00 C ATOM 0 H MET A 11 43.299 70.928 -44.647 1.00 0.00 H new ATOM 0 HA MET A 11 42.647 69.598 -47.193 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.629 72.390 -47.549 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.537 71.454 -48.550 1.00 0.00 H new ATOM 0 HG2 MET A 11 40.724 71.757 -46.812 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.819 72.748 -45.869 1.00 0.00 H new ATOM 0 HE1 MET A 11 38.948 74.163 -48.849 1.00 0.00 H new ATOM 0 HE2 MET A 11 39.410 72.447 -48.760 1.00 0.00 H new ATOM 0 HE3 MET A 11 38.874 73.301 -47.293 1.00 0.00 H new ATOM 198 N PRO A 12 45.197 69.956 -47.820 1.00 0.00 N ATOM 199 CA PRO A 12 46.648 69.740 -47.952 1.00 0.00 C ATOM 200 C PRO A 12 47.385 71.083 -47.981 1.00 0.00 C ATOM 201 O PRO A 12 47.100 71.942 -48.792 1.00 0.00 O ATOM 202 CB PRO A 12 46.781 69.008 -49.290 1.00 0.00 C ATOM 203 CG PRO A 12 45.505 69.339 -50.098 1.00 0.00 C ATOM 204 CD PRO A 12 44.441 69.786 -49.077 1.00 0.00 C ATOM 0 HA PRO A 12 47.078 69.178 -47.123 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.674 69.334 -49.824 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.876 67.933 -49.137 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.700 70.128 -50.825 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.164 68.468 -50.657 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.961 70.716 -49.382 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.653 69.041 -48.970 1.00 0.00 H new ATOM 266 N ASP A 17 48.674 66.328 -46.000 1.00 0.00 N ATOM 267 CA ASP A 17 47.511 65.895 -45.176 1.00 0.00 C ATOM 268 C ASP A 17 46.339 65.554 -46.099 1.00 0.00 C ATOM 269 O ASP A 17 46.218 66.091 -47.182 1.00 0.00 O ATOM 270 CB ASP A 17 47.105 67.030 -44.234 1.00 0.00 C ATOM 271 CG ASP A 17 48.126 67.144 -43.101 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.303 67.242 -43.401 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.713 67.132 -41.954 1.00 0.00 O ATOM 0 HA ASP A 17 47.783 65.017 -44.590 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.049 67.970 -44.783 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.112 66.840 -43.825 1.00 0.00 H new ATOM 278 N LEU A 18 45.472 64.668 -45.685 1.00 0.00 N ATOM 279 CA LEU A 18 44.315 64.308 -46.553 1.00 0.00 C ATOM 280 C LEU A 18 43.236 65.382 -46.420 1.00 0.00 C ATOM 281 O LEU A 18 42.855 65.759 -45.332 1.00 0.00 O ATOM 282 CB LEU A 18 43.744 62.958 -46.089 1.00 0.00 C ATOM 283 CG LEU A 18 44.214 61.769 -46.957 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.261 62.183 -48.000 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.817 60.711 -46.033 1.00 0.00 C ATOM 0 H LEU A 18 45.515 64.182 -44.790 1.00 0.00 H new ATOM 0 HA LEU A 18 44.637 64.237 -47.592 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.038 62.783 -45.054 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.655 63.005 -46.108 1.00 0.00 H new ATOM 0 HG LEU A 18 43.352 61.382 -47.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.558 61.311 -48.583 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.836 62.936 -48.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.134 62.596 -47.495 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.156 59.861 -46.625 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.663 61.138 -45.494 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.063 60.378 -45.320 1.00 0.00 H new ATOM 297 N GLN A 19 42.738 65.878 -47.521 1.00 0.00 N ATOM 298 CA GLN A 19 41.680 66.923 -47.448 1.00 0.00 C ATOM 299 C GLN A 19 40.550 66.417 -46.554 1.00 0.00 C ATOM 300 O GLN A 19 39.865 65.467 -46.879 1.00 0.00 O ATOM 301 CB GLN A 19 41.141 67.212 -48.849 1.00 0.00 C ATOM 302 CG GLN A 19 39.867 68.052 -48.740 1.00 0.00 C ATOM 303 CD GLN A 19 39.533 68.654 -50.106 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.861 69.663 -50.190 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.976 68.074 -51.187 1.00 0.00 N ATOM 0 H GLN A 19 43.018 65.605 -48.463 1.00 0.00 H new ATOM 0 HA GLN A 19 42.096 67.842 -47.034 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.890 67.742 -49.437 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.930 66.278 -49.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.040 67.434 -48.391 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.004 68.845 -48.005 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.540 67.227 -51.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 39.758 68.467 -52.103 1.00 0.00 H new ATOM 314 N LEU A 20 40.361 67.033 -45.422 1.00 0.00 N ATOM 315 CA LEU A 20 39.289 66.578 -44.495 1.00 0.00 C ATOM 316 C LEU A 20 37.926 67.086 -44.972 1.00 0.00 C ATOM 317 O LEU A 20 37.839 67.928 -45.844 1.00 0.00 O ATOM 318 CB LEU A 20 39.587 67.105 -43.100 1.00 0.00 C ATOM 319 CG LEU A 20 40.046 65.940 -42.225 1.00 0.00 C ATOM 320 CD1 LEU A 20 41.003 65.035 -43.013 1.00 0.00 C ATOM 321 CD2 LEU A 20 40.759 66.486 -40.997 1.00 0.00 C ATOM 0 H LEU A 20 40.904 67.834 -45.098 1.00 0.00 H new ATOM 0 HA LEU A 20 39.260 65.489 -44.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 40.360 67.873 -43.143 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.698 67.571 -42.674 1.00 0.00 H new ATOM 0 HG LEU A 20 39.178 65.357 -41.919 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.325 64.207 -42.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.492 64.643 -43.892 1.00 0.00 H new ATOM 0 HD13 LEU A 20 41.873 65.611 -43.327 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.088 65.658 -40.369 1.00 0.00 H new ATOM 0 HD22 LEU A 20 41.624 67.072 -41.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 40.076 67.120 -40.432 1.00 0.00 H new ATOM 333 N ARG A 21 36.859 66.581 -44.409 1.00 0.00 N ATOM 334 CA ARG A 21 35.507 67.042 -44.842 1.00 0.00 C ATOM 335 C ARG A 21 34.496 66.843 -43.714 1.00 0.00 C ATOM 336 O ARG A 21 33.319 66.662 -43.947 1.00 0.00 O ATOM 337 CB ARG A 21 35.060 66.248 -46.073 1.00 0.00 C ATOM 338 CG ARG A 21 36.046 66.479 -47.220 1.00 0.00 C ATOM 339 CD ARG A 21 35.398 66.062 -48.542 1.00 0.00 C ATOM 340 NE ARG A 21 36.127 64.891 -49.106 1.00 0.00 N ATOM 341 CZ ARG A 21 35.491 64.014 -49.833 1.00 0.00 C ATOM 342 NH1 ARG A 21 34.750 64.407 -50.832 1.00 0.00 N ATOM 343 NH2 ARG A 21 35.597 62.742 -49.562 1.00 0.00 N ATOM 0 H ARG A 21 36.865 65.874 -43.673 1.00 0.00 H new ATOM 0 HA ARG A 21 35.560 68.102 -45.091 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.008 65.186 -45.834 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.059 66.557 -46.373 1.00 0.00 H new ATOM 0 HG2 ARG A 21 36.335 67.529 -47.260 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.957 65.904 -47.052 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.350 65.808 -48.381 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.421 66.892 -49.248 1.00 0.00 H new ATOM 0 HE ARG A 21 37.124 64.775 -48.924 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.667 65.401 -51.046 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.253 63.720 -51.400 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.177 62.433 -48.782 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.100 62.056 -50.130 1.00 0.00 H new ATOM 357 N LYS A 22 34.952 66.891 -42.497 1.00 0.00 N ATOM 358 CA LYS A 22 34.038 66.722 -41.326 1.00 0.00 C ATOM 359 C LYS A 22 32.986 65.650 -41.616 1.00 0.00 C ATOM 360 O LYS A 22 31.975 65.911 -42.236 1.00 0.00 O ATOM 361 CB LYS A 22 33.322 68.043 -41.037 1.00 0.00 C ATOM 362 CG LYS A 22 34.348 69.147 -40.796 1.00 0.00 C ATOM 363 CD LYS A 22 33.624 70.452 -40.459 1.00 0.00 C ATOM 364 CE LYS A 22 32.651 70.806 -41.584 1.00 0.00 C ATOM 365 NZ LYS A 22 32.799 72.247 -41.934 1.00 0.00 N ATOM 0 H LYS A 22 35.931 67.042 -42.256 1.00 0.00 H new ATOM 0 HA LYS A 22 34.635 66.420 -40.466 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.678 68.309 -41.876 1.00 0.00 H new ATOM 0 HB3 LYS A 22 32.679 67.935 -40.164 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.014 68.867 -39.980 1.00 0.00 H new ATOM 0 HG3 LYS A 22 34.968 69.281 -41.682 1.00 0.00 H new ATOM 0 HD2 LYS A 22 33.084 70.347 -39.518 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.347 71.256 -40.324 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.849 70.186 -42.459 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.627 70.600 -41.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.137 72.488 -42.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.590 72.830 -41.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 33.773 72.430 -42.249 1.00 0.00 H new ATOM 379 N GLY A 23 33.202 64.449 -41.160 1.00 0.00 N ATOM 380 CA GLY A 23 32.197 63.379 -41.409 1.00 0.00 C ATOM 381 C GLY A 23 32.915 62.125 -41.887 1.00 0.00 C ATOM 382 O GLY A 23 33.028 61.151 -41.171 1.00 0.00 O ATOM 0 H GLY A 23 34.025 64.163 -40.629 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.638 63.168 -40.497 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.475 63.707 -42.157 1.00 0.00 H new ATOM 386 N ASP A 24 33.417 62.142 -43.090 1.00 0.00 N ATOM 387 CA ASP A 24 34.139 60.946 -43.589 1.00 0.00 C ATOM 388 C ASP A 24 35.177 60.551 -42.546 1.00 0.00 C ATOM 389 O ASP A 24 35.938 61.371 -42.072 1.00 0.00 O ATOM 390 CB ASP A 24 34.840 61.270 -44.906 1.00 0.00 C ATOM 391 CG ASP A 24 33.797 61.469 -46.008 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.623 61.519 -45.682 1.00 0.00 O ATOM 393 OD2 ASP A 24 34.191 61.565 -47.158 1.00 0.00 O ATOM 0 H ASP A 24 33.358 62.925 -43.741 1.00 0.00 H new ATOM 0 HA ASP A 24 33.436 60.130 -43.759 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.444 62.171 -44.796 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.520 60.462 -45.176 1.00 0.00 H new ATOM 398 N GLU A 25 35.211 59.309 -42.176 1.00 0.00 N ATOM 399 CA GLU A 25 36.198 58.875 -41.153 1.00 0.00 C ATOM 400 C GLU A 25 37.496 58.471 -41.843 1.00 0.00 C ATOM 401 O GLU A 25 37.516 58.146 -43.014 1.00 0.00 O ATOM 402 CB GLU A 25 35.638 57.684 -40.372 1.00 0.00 C ATOM 403 CG GLU A 25 34.279 58.056 -39.777 1.00 0.00 C ATOM 404 CD GLU A 25 33.338 56.853 -39.865 1.00 0.00 C ATOM 405 OE1 GLU A 25 32.675 56.717 -40.880 1.00 0.00 O ATOM 406 OE2 GLU A 25 33.295 56.087 -38.914 1.00 0.00 O ATOM 0 H GLU A 25 34.601 58.574 -42.535 1.00 0.00 H new ATOM 0 HA GLU A 25 36.393 59.696 -40.464 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.535 56.821 -41.030 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.329 57.399 -39.578 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.397 58.364 -38.738 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.854 58.904 -40.315 1.00 0.00 H new ATOM 413 N TYR A 26 38.581 58.495 -41.127 1.00 0.00 N ATOM 414 CA TYR A 26 39.880 58.118 -41.738 1.00 0.00 C ATOM 415 C TYR A 26 40.457 56.907 -40.997 1.00 0.00 C ATOM 416 O TYR A 26 40.380 56.807 -39.788 1.00 0.00 O ATOM 417 CB TYR A 26 40.839 59.306 -41.640 1.00 0.00 C ATOM 418 CG TYR A 26 40.103 60.571 -42.017 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.139 60.545 -43.033 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.385 61.773 -41.358 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.461 61.714 -43.389 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.704 62.940 -41.713 1.00 0.00 C ATOM 423 CZ TYR A 26 38.742 62.912 -42.731 1.00 0.00 C ATOM 424 OH TYR A 26 38.076 64.066 -43.089 1.00 0.00 O ATOM 0 H TYR A 26 38.624 58.760 -40.143 1.00 0.00 H new ATOM 0 HA TYR A 26 39.740 57.855 -42.787 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.233 59.388 -40.627 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.692 59.156 -42.302 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.919 59.619 -43.543 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.129 61.798 -40.575 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.719 61.690 -44.174 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.920 63.866 -41.201 1.00 0.00 H new ATOM 0 HH TYR A 26 37.165 63.843 -43.374 1.00 0.00 H new ATOM 434 N PHE A 27 41.031 55.986 -41.720 1.00 0.00 N ATOM 435 CA PHE A 27 41.612 54.776 -41.076 1.00 0.00 C ATOM 436 C PHE A 27 43.115 54.964 -40.942 1.00 0.00 C ATOM 437 O PHE A 27 43.789 55.347 -41.878 1.00 0.00 O ATOM 438 CB PHE A 27 41.318 53.548 -41.941 1.00 0.00 C ATOM 439 CG PHE A 27 41.876 52.312 -41.278 1.00 0.00 C ATOM 440 CD1 PHE A 27 41.591 52.048 -39.934 1.00 0.00 C ATOM 441 CD2 PHE A 27 42.678 51.428 -42.011 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.108 50.901 -39.322 1.00 0.00 C ATOM 443 CE2 PHE A 27 43.195 50.281 -41.398 1.00 0.00 C ATOM 444 CZ PHE A 27 42.910 50.017 -40.054 1.00 0.00 C ATOM 0 H PHE A 27 41.123 56.020 -42.735 1.00 0.00 H new ATOM 0 HA PHE A 27 41.172 54.631 -40.090 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.243 53.441 -42.084 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.760 53.673 -42.929 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.972 52.729 -39.369 1.00 0.00 H new ATOM 0 HD2 PHE A 27 42.897 51.631 -43.049 1.00 0.00 H new ATOM 0 HE1 PHE A 27 41.888 50.697 -38.284 1.00 0.00 H new ATOM 0 HE2 PHE A 27 43.814 49.600 -41.963 1.00 0.00 H new ATOM 0 HZ PHE A 27 43.309 49.132 -39.581 1.00 0.00 H new ATOM 454 N ILE A 28 43.646 54.716 -39.781 1.00 0.00 N ATOM 455 CA ILE A 28 45.103 54.908 -39.588 1.00 0.00 C ATOM 456 C ILE A 28 45.879 53.727 -40.139 1.00 0.00 C ATOM 457 O ILE A 28 45.769 52.610 -39.676 1.00 0.00 O ATOM 458 CB ILE A 28 45.410 55.072 -38.106 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.428 56.074 -37.482 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.842 55.582 -37.955 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.091 57.188 -38.484 1.00 0.00 C ATOM 0 H ILE A 28 43.135 54.390 -38.961 1.00 0.00 H new ATOM 0 HA ILE A 28 45.406 55.806 -40.127 1.00 0.00 H new ATOM 0 HB ILE A 28 45.305 54.115 -37.596 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.516 55.559 -37.180 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.863 56.506 -36.581 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.075 55.704 -36.897 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.532 54.864 -38.398 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.942 56.542 -38.462 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.394 57.890 -38.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.004 57.714 -38.764 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.636 56.752 -39.373 1.00 0.00 H new ATOM 473 N LEU A 29 46.677 53.989 -41.123 1.00 0.00 N ATOM 474 CA LEU A 29 47.499 52.927 -41.735 1.00 0.00 C ATOM 475 C LEU A 29 48.715 52.683 -40.853 1.00 0.00 C ATOM 476 O LEU A 29 49.364 51.660 -40.935 1.00 0.00 O ATOM 477 CB LEU A 29 47.955 53.413 -43.101 1.00 0.00 C ATOM 478 CG LEU A 29 46.829 53.219 -44.102 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.792 54.325 -43.913 1.00 0.00 C ATOM 480 CD2 LEU A 29 47.409 53.289 -45.511 1.00 0.00 C ATOM 0 H LEU A 29 46.796 54.914 -41.537 1.00 0.00 H new ATOM 0 HA LEU A 29 46.929 52.003 -41.835 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.236 54.465 -43.051 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.840 52.862 -43.420 1.00 0.00 H new ATOM 0 HG LEU A 29 46.351 52.251 -43.950 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.982 54.190 -44.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 45.392 54.280 -42.900 1.00 0.00 H new ATOM 0 HD13 LEU A 29 46.261 55.295 -44.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 46.611 53.151 -46.240 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.876 54.262 -45.664 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.155 52.504 -45.637 1.00 0.00 H new ATOM 492 N GLU A 30 49.030 53.627 -40.013 1.00 0.00 N ATOM 493 CA GLU A 30 50.218 53.451 -39.126 1.00 0.00 C ATOM 494 C GLU A 30 50.171 54.434 -37.952 1.00 0.00 C ATOM 495 O GLU A 30 50.230 54.039 -36.804 1.00 0.00 O ATOM 496 CB GLU A 30 51.493 53.694 -39.937 1.00 0.00 C ATOM 497 CG GLU A 30 51.931 52.389 -40.605 1.00 0.00 C ATOM 498 CD GLU A 30 53.422 52.463 -40.940 1.00 0.00 C ATOM 499 OE1 GLU A 30 54.215 52.510 -40.014 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.744 52.471 -42.116 1.00 0.00 O ATOM 0 H GLU A 30 48.524 54.505 -39.900 1.00 0.00 H new ATOM 0 HA GLU A 30 50.211 52.435 -38.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.316 54.460 -40.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 52.285 54.065 -39.287 1.00 0.00 H new ATOM 0 HG2 GLU A 30 51.738 51.546 -39.942 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.351 52.220 -41.513 1.00 0.00 H new ATOM 507 N GLU A 31 50.085 55.709 -38.227 1.00 0.00 N ATOM 508 CA GLU A 31 50.055 56.717 -37.125 1.00 0.00 C ATOM 509 C GLU A 31 51.482 56.960 -36.628 1.00 0.00 C ATOM 510 O GLU A 31 52.417 56.324 -37.072 1.00 0.00 O ATOM 511 CB GLU A 31 49.190 56.203 -35.970 1.00 0.00 C ATOM 512 CG GLU A 31 48.370 57.356 -35.387 1.00 0.00 C ATOM 513 CD GLU A 31 47.289 56.797 -34.460 1.00 0.00 C ATOM 514 OE1 GLU A 31 47.613 55.938 -33.656 1.00 0.00 O ATOM 515 OE2 GLU A 31 46.157 57.238 -34.569 1.00 0.00 O ATOM 0 H GLU A 31 50.034 56.097 -39.169 1.00 0.00 H new ATOM 0 HA GLU A 31 49.631 57.649 -37.498 1.00 0.00 H new ATOM 0 HB2 GLU A 31 48.526 55.414 -36.323 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.821 55.766 -35.197 1.00 0.00 H new ATOM 0 HG2 GLU A 31 49.020 58.036 -34.836 1.00 0.00 H new ATOM 0 HG3 GLU A 31 47.912 57.933 -36.190 1.00 0.00 H new ATOM 522 N SER A 32 51.663 57.874 -35.712 1.00 0.00 N ATOM 523 CA SER A 32 53.036 58.147 -35.198 1.00 0.00 C ATOM 524 C SER A 32 52.956 59.046 -33.960 1.00 0.00 C ATOM 525 O SER A 32 51.994 59.014 -33.218 1.00 0.00 O ATOM 526 CB SER A 32 53.856 58.848 -36.282 1.00 0.00 C ATOM 527 OG SER A 32 55.240 58.669 -36.012 1.00 0.00 O ATOM 0 H SER A 32 50.922 58.441 -35.299 1.00 0.00 H new ATOM 0 HA SER A 32 53.513 57.205 -34.930 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.609 58.440 -37.262 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.613 59.910 -36.308 1.00 0.00 H new ATOM 0 HG SER A 32 55.769 59.116 -36.706 1.00 0.00 H new ATOM 533 N ASN A 33 53.963 59.848 -33.732 1.00 0.00 N ATOM 534 CA ASN A 33 53.949 60.746 -32.541 1.00 0.00 C ATOM 535 C ASN A 33 53.306 62.084 -32.914 1.00 0.00 C ATOM 536 O ASN A 33 52.415 62.564 -32.241 1.00 0.00 O ATOM 537 CB ASN A 33 55.384 60.986 -32.068 1.00 0.00 C ATOM 538 CG ASN A 33 56.283 61.254 -33.277 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.595 60.351 -34.028 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.715 62.466 -33.497 1.00 0.00 N ATOM 0 H ASN A 33 54.794 59.920 -34.319 1.00 0.00 H new ATOM 0 HA ASN A 33 53.374 60.278 -31.742 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.415 61.834 -31.383 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.746 60.118 -31.517 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.315 62.656 -34.300 1.00 0.00 H new ATOM 0 HD22 ASN A 33 56.453 63.223 -32.866 1.00 0.00 H new ATOM 547 N LEU A 34 53.750 62.689 -33.982 1.00 0.00 N ATOM 548 CA LEU A 34 53.165 63.995 -34.400 1.00 0.00 C ATOM 549 C LEU A 34 51.638 63.917 -34.325 1.00 0.00 C ATOM 550 O LEU A 34 51.085 62.856 -34.123 1.00 0.00 O ATOM 551 CB LEU A 34 53.591 64.297 -35.839 1.00 0.00 C ATOM 552 CG LEU A 34 54.693 65.357 -35.833 1.00 0.00 C ATOM 553 CD1 LEU A 34 56.051 64.683 -36.038 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.445 66.355 -36.967 1.00 0.00 C ATOM 0 H LEU A 34 54.493 62.335 -34.584 1.00 0.00 H new ATOM 0 HA LEU A 34 53.519 64.786 -33.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.949 63.388 -36.322 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.736 64.649 -36.416 1.00 0.00 H new ATOM 0 HG LEU A 34 54.688 65.881 -34.877 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.837 65.439 -36.034 1.00 0.00 H new ATOM 0 HD12 LEU A 34 56.229 63.970 -35.233 1.00 0.00 H new ATOM 0 HD13 LEU A 34 56.057 64.159 -36.994 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.230 67.111 -36.964 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.451 65.830 -37.922 1.00 0.00 H new ATOM 0 HD23 LEU A 34 53.477 66.836 -36.824 1.00 0.00 H new ATOM 566 N PRO A 35 51.000 65.047 -34.497 1.00 0.00 N ATOM 567 CA PRO A 35 49.530 65.138 -34.459 1.00 0.00 C ATOM 568 C PRO A 35 48.934 64.577 -35.752 1.00 0.00 C ATOM 569 O PRO A 35 47.906 63.930 -35.743 1.00 0.00 O ATOM 570 CB PRO A 35 49.262 66.639 -34.325 1.00 0.00 C ATOM 571 CG PRO A 35 50.531 67.354 -34.847 1.00 0.00 C ATOM 572 CD PRO A 35 51.681 66.334 -34.750 1.00 0.00 C ATOM 0 HA PRO A 35 49.081 64.566 -33.647 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.385 66.931 -34.903 1.00 0.00 H new ATOM 0 HB3 PRO A 35 49.063 66.908 -33.287 1.00 0.00 H new ATOM 0 HG2 PRO A 35 50.393 67.686 -35.876 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.748 68.241 -34.252 1.00 0.00 H new ATOM 0 HD2 PRO A 35 52.264 66.302 -35.670 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.370 66.586 -33.944 1.00 0.00 H new ATOM 579 N TRP A 36 49.578 64.809 -36.863 1.00 0.00 N ATOM 580 CA TRP A 36 49.050 64.275 -38.149 1.00 0.00 C ATOM 581 C TRP A 36 49.442 62.801 -38.259 1.00 0.00 C ATOM 582 O TRP A 36 50.589 62.444 -38.076 1.00 0.00 O ATOM 583 CB TRP A 36 49.651 65.047 -39.330 1.00 0.00 C ATOM 584 CG TRP A 36 50.012 66.438 -38.914 1.00 0.00 C ATOM 585 CD1 TRP A 36 49.334 67.185 -38.014 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.124 67.261 -39.373 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.958 68.414 -37.890 1.00 0.00 N ATOM 588 CE2 TRP A 36 51.067 68.508 -38.707 1.00 0.00 C ATOM 589 CE3 TRP A 36 52.167 67.046 -40.292 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.011 69.508 -38.947 1.00 0.00 C ATOM 591 CZ3 TRP A 36 53.119 68.050 -40.535 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.041 69.278 -39.864 1.00 0.00 C ATOM 0 H TRP A 36 50.444 65.343 -36.935 1.00 0.00 H new ATOM 0 HA TRP A 36 47.966 64.385 -38.172 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.537 64.529 -39.698 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.936 65.080 -40.152 1.00 0.00 H new ATOM 0 HD1 TRP A 36 48.449 66.873 -37.479 1.00 0.00 H new ATOM 0 HE1 TRP A 36 49.638 69.159 -37.271 1.00 0.00 H new ATOM 0 HE3 TRP A 36 52.236 66.103 -40.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 51.946 70.453 -38.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 53.916 67.875 -41.243 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.776 70.046 -40.055 1.00 0.00 H new ATOM 603 N TRP A 37 48.510 61.939 -38.555 1.00 0.00 N ATOM 604 CA TRP A 37 48.859 60.497 -38.670 1.00 0.00 C ATOM 605 C TRP A 37 49.045 60.139 -40.138 1.00 0.00 C ATOM 606 O TRP A 37 49.171 60.996 -40.984 1.00 0.00 O ATOM 607 CB TRP A 37 47.732 59.638 -38.092 1.00 0.00 C ATOM 608 CG TRP A 37 47.208 60.263 -36.842 1.00 0.00 C ATOM 609 CD1 TRP A 37 45.933 60.672 -36.661 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.912 60.553 -35.600 1.00 0.00 C ATOM 611 NE1 TRP A 37 45.807 61.196 -35.387 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.000 61.145 -34.694 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.238 60.362 -35.177 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.392 61.534 -33.412 1.00 0.00 C ATOM 615 CZ3 TRP A 37 49.637 60.751 -33.888 1.00 0.00 C ATOM 616 CH2 TRP A 37 48.715 61.336 -33.007 1.00 0.00 C ATOM 0 H TRP A 37 47.530 62.168 -38.721 1.00 0.00 H new ATOM 0 HA TRP A 37 49.780 60.310 -38.118 1.00 0.00 H new ATOM 0 HB2 TRP A 37 46.929 59.536 -38.822 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.100 58.634 -37.881 1.00 0.00 H new ATOM 0 HD1 TRP A 37 45.141 60.601 -37.392 1.00 0.00 H new ATOM 0 HE1 TRP A 37 44.939 61.574 -35.006 1.00 0.00 H new ATOM 0 HE3 TRP A 37 49.955 59.913 -35.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 46.678 61.985 -32.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 50.659 60.599 -33.573 1.00 0.00 H new ATOM 0 HH2 TRP A 37 49.027 61.633 -32.017 1.00 0.00 H new ATOM 627 N ARG A 38 49.042 58.875 -40.441 1.00 0.00 N ATOM 628 CA ARG A 38 49.195 58.439 -41.854 1.00 0.00 C ATOM 629 C ARG A 38 47.992 57.570 -42.203 1.00 0.00 C ATOM 630 O ARG A 38 48.057 56.358 -42.169 1.00 0.00 O ATOM 631 CB ARG A 38 50.483 57.626 -42.011 1.00 0.00 C ATOM 632 CG ARG A 38 50.480 56.919 -43.369 1.00 0.00 C ATOM 633 CD ARG A 38 51.755 57.277 -44.135 1.00 0.00 C ATOM 634 NE ARG A 38 51.627 56.826 -45.549 1.00 0.00 N ATOM 635 CZ ARG A 38 52.673 56.385 -46.193 1.00 0.00 C ATOM 636 NH1 ARG A 38 53.468 55.517 -45.631 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.927 56.814 -47.399 1.00 0.00 N ATOM 0 H ARG A 38 48.939 58.118 -39.765 1.00 0.00 H new ATOM 0 HA ARG A 38 49.249 59.303 -42.516 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.351 58.281 -41.932 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.563 56.893 -41.208 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.419 55.840 -43.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 49.603 57.216 -43.943 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.924 58.353 -44.099 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.618 56.803 -43.668 1.00 0.00 H new ATOM 0 HE ARG A 38 50.720 56.862 -46.015 1.00 0.00 H new ATOM 0 HH11 ARG A 38 53.272 55.182 -44.688 1.00 0.00 H new ATOM 0 HH12 ARG A 38 54.285 55.173 -46.135 1.00 0.00 H new ATOM 0 HH21 ARG A 38 52.308 57.495 -47.839 1.00 0.00 H new ATOM 0 HH22 ARG A 38 53.745 56.469 -47.901 1.00 0.00 H new ATOM 651 N ALA A 39 46.881 58.180 -42.503 1.00 0.00 N ATOM 652 CA ALA A 39 45.665 57.383 -42.814 1.00 0.00 C ATOM 653 C ALA A 39 45.177 57.680 -44.228 1.00 0.00 C ATOM 654 O ALA A 39 45.661 58.569 -44.899 1.00 0.00 O ATOM 655 CB ALA A 39 44.549 57.775 -41.836 1.00 0.00 C ATOM 0 H ALA A 39 46.763 59.192 -42.546 1.00 0.00 H new ATOM 0 HA ALA A 39 45.911 56.325 -42.727 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.652 57.196 -42.056 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.872 57.571 -40.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.329 58.837 -41.941 1.00 0.00 H new ATOM 661 N ARG A 40 44.187 56.954 -44.663 1.00 0.00 N ATOM 662 CA ARG A 40 43.606 57.193 -46.011 1.00 0.00 C ATOM 663 C ARG A 40 42.181 57.696 -45.801 1.00 0.00 C ATOM 664 O ARG A 40 41.283 56.932 -45.502 1.00 0.00 O ATOM 665 CB ARG A 40 43.582 55.886 -46.809 1.00 0.00 C ATOM 666 CG ARG A 40 45.011 55.372 -46.991 1.00 0.00 C ATOM 667 CD ARG A 40 44.981 54.038 -47.741 1.00 0.00 C ATOM 668 NE ARG A 40 44.163 53.057 -46.974 1.00 0.00 N ATOM 669 CZ ARG A 40 44.211 51.788 -47.277 1.00 0.00 C ATOM 670 NH1 ARG A 40 45.362 51.177 -47.346 1.00 0.00 N ATOM 671 NH2 ARG A 40 43.109 51.129 -47.512 1.00 0.00 N ATOM 0 H ARG A 40 43.751 56.197 -44.136 1.00 0.00 H new ATOM 0 HA ARG A 40 44.199 57.919 -46.566 1.00 0.00 H new ATOM 0 HB2 ARG A 40 42.980 55.141 -46.289 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.117 56.050 -47.781 1.00 0.00 H new ATOM 0 HG2 ARG A 40 45.603 56.100 -47.546 1.00 0.00 H new ATOM 0 HG3 ARG A 40 45.490 55.245 -46.020 1.00 0.00 H new ATOM 0 HD2 ARG A 40 44.561 54.178 -48.737 1.00 0.00 H new ATOM 0 HD3 ARG A 40 45.995 53.659 -47.872 1.00 0.00 H new ATOM 0 HE ARG A 40 43.565 53.377 -46.212 1.00 0.00 H new ATOM 0 HH11 ARG A 40 46.224 51.691 -47.163 1.00 0.00 H new ATOM 0 HH12 ARG A 40 45.400 50.186 -47.583 1.00 0.00 H new ATOM 0 HH21 ARG A 40 42.209 51.605 -47.459 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.148 50.138 -47.749 1.00 0.00 H new ATOM 685 N ASP A 41 41.966 58.975 -45.916 1.00 0.00 N ATOM 686 CA ASP A 41 40.598 59.509 -45.678 1.00 0.00 C ATOM 687 C ASP A 41 39.582 58.731 -46.514 1.00 0.00 C ATOM 688 O ASP A 41 39.934 57.887 -47.314 1.00 0.00 O ATOM 689 CB ASP A 41 40.541 60.991 -46.044 1.00 0.00 C ATOM 690 CG ASP A 41 41.030 61.188 -47.480 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.398 60.205 -48.099 1.00 0.00 O ATOM 692 OD2 ASP A 41 41.027 62.321 -47.935 1.00 0.00 O ATOM 0 H ASP A 41 42.672 59.669 -46.162 1.00 0.00 H new ATOM 0 HA ASP A 41 40.355 59.395 -44.622 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.521 61.361 -45.943 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.159 61.569 -45.357 1.00 0.00 H new ATOM 697 N LYS A 42 38.319 59.008 -46.330 1.00 0.00 N ATOM 698 CA LYS A 42 37.274 58.284 -47.108 1.00 0.00 C ATOM 699 C LYS A 42 37.331 58.716 -48.574 1.00 0.00 C ATOM 700 O LYS A 42 36.627 58.189 -49.413 1.00 0.00 O ATOM 701 CB LYS A 42 35.893 58.610 -46.535 1.00 0.00 C ATOM 702 CG LYS A 42 34.876 57.587 -47.043 1.00 0.00 C ATOM 703 CD LYS A 42 35.078 56.259 -46.310 1.00 0.00 C ATOM 704 CE LYS A 42 34.274 55.161 -47.010 1.00 0.00 C ATOM 705 NZ LYS A 42 33.560 54.342 -45.991 1.00 0.00 N ATOM 0 H LYS A 42 37.966 59.705 -45.674 1.00 0.00 H new ATOM 0 HA LYS A 42 37.453 57.211 -47.040 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.927 58.595 -45.446 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.593 59.615 -46.831 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.863 57.954 -46.880 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.994 57.443 -48.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 36.136 55.997 -46.296 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.759 56.352 -45.272 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.558 55.605 -47.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 34.938 54.529 -47.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.013 53.596 -46.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.252 53.908 -45.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 32.915 54.950 -45.447 1.00 0.00 H new ATOM 719 N ASN A 43 38.167 59.668 -48.892 1.00 0.00 N ATOM 720 CA ASN A 43 38.269 60.125 -50.305 1.00 0.00 C ATOM 721 C ASN A 43 39.193 59.181 -51.078 1.00 0.00 C ATOM 722 O ASN A 43 39.592 59.462 -52.191 1.00 0.00 O ATOM 723 CB ASN A 43 38.842 61.543 -50.341 1.00 0.00 C ATOM 724 CG ASN A 43 38.124 62.359 -51.418 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.930 62.230 -51.600 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.807 63.201 -52.144 1.00 0.00 N ATOM 0 H ASN A 43 38.782 60.147 -48.234 1.00 0.00 H new ATOM 0 HA ASN A 43 37.280 60.122 -50.762 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.721 62.020 -49.368 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.911 61.509 -50.549 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.338 63.751 -52.864 1.00 0.00 H new ATOM 0 HD22 ASN A 43 39.810 63.310 -51.991 1.00 0.00 H new ATOM 733 N GLY A 44 39.541 58.065 -50.497 1.00 0.00 N ATOM 734 CA GLY A 44 40.441 57.112 -51.200 1.00 0.00 C ATOM 735 C GLY A 44 41.787 57.788 -51.450 1.00 0.00 C ATOM 736 O GLY A 44 42.325 57.741 -52.538 1.00 0.00 O ATOM 0 H GLY A 44 39.240 57.774 -49.567 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.578 56.212 -50.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.995 56.801 -52.145 1.00 0.00 H new ATOM 740 N GLN A 45 42.336 58.419 -50.448 1.00 0.00 N ATOM 741 CA GLN A 45 43.640 59.098 -50.625 1.00 0.00 C ATOM 742 C GLN A 45 44.464 58.914 -49.355 1.00 0.00 C ATOM 743 O GLN A 45 44.026 59.239 -48.265 1.00 0.00 O ATOM 744 CB GLN A 45 43.412 60.589 -50.878 1.00 0.00 C ATOM 745 CG GLN A 45 44.454 61.104 -51.873 1.00 0.00 C ATOM 746 CD GLN A 45 43.746 61.763 -53.058 1.00 0.00 C ATOM 747 OE1 GLN A 45 42.923 62.639 -52.879 1.00 0.00 O ATOM 748 NE2 GLN A 45 44.033 61.377 -54.271 1.00 0.00 N ATOM 0 H GLN A 45 41.932 58.491 -49.514 1.00 0.00 H new ATOM 0 HA GLN A 45 44.169 58.670 -51.476 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.408 60.753 -51.269 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.483 61.142 -49.942 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.114 61.821 -51.386 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.078 60.281 -52.221 1.00 0.00 H new ATOM 0 HE21 GLN A 45 44.724 60.642 -54.422 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.567 61.810 -55.068 1.00 0.00 H new ATOM 757 N GLU A 46 45.652 58.397 -49.491 1.00 0.00 N ATOM 758 CA GLU A 46 46.520 58.191 -48.301 1.00 0.00 C ATOM 759 C GLU A 46 47.246 59.502 -48.018 1.00 0.00 C ATOM 760 O GLU A 46 47.790 60.121 -48.911 1.00 0.00 O ATOM 761 CB GLU A 46 47.536 57.081 -48.594 1.00 0.00 C ATOM 762 CG GLU A 46 46.952 56.109 -49.624 1.00 0.00 C ATOM 763 CD GLU A 46 47.803 54.839 -49.668 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.407 54.520 -48.658 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.837 54.207 -50.711 1.00 0.00 O ATOM 0 H GLU A 46 46.060 58.107 -50.380 1.00 0.00 H new ATOM 0 HA GLU A 46 45.924 57.897 -47.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.463 57.513 -48.971 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.783 56.548 -47.676 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.923 55.861 -49.363 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.927 56.577 -50.608 1.00 0.00 H new ATOM 772 N GLY A 47 47.243 59.954 -46.796 1.00 0.00 N ATOM 773 CA GLY A 47 47.914 61.246 -46.499 1.00 0.00 C ATOM 774 C GLY A 47 48.035 61.454 -44.991 1.00 0.00 C ATOM 775 O GLY A 47 47.926 60.530 -44.208 1.00 0.00 O ATOM 0 H GLY A 47 46.809 59.489 -45.998 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.904 61.261 -46.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.348 62.066 -46.941 1.00 0.00 H new ATOM 779 N TYR A 48 48.263 62.673 -44.587 1.00 0.00 N ATOM 780 CA TYR A 48 48.399 62.966 -43.136 1.00 0.00 C ATOM 781 C TYR A 48 47.072 63.498 -42.589 1.00 0.00 C ATOM 782 O TYR A 48 46.394 64.279 -43.222 1.00 0.00 O ATOM 783 CB TYR A 48 49.496 64.015 -42.924 1.00 0.00 C ATOM 784 CG TYR A 48 50.862 63.403 -43.165 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.982 62.063 -43.563 1.00 0.00 C ATOM 786 CD2 TYR A 48 52.011 64.183 -42.989 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.249 61.508 -43.784 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.277 63.627 -43.209 1.00 0.00 C ATOM 789 CZ TYR A 48 53.396 62.290 -43.606 1.00 0.00 C ATOM 790 OH TYR A 48 54.644 61.744 -43.823 1.00 0.00 O ATOM 0 H TYR A 48 48.361 63.480 -45.203 1.00 0.00 H new ATOM 0 HA TYR A 48 48.665 62.050 -42.609 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.341 64.855 -43.601 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.440 64.409 -41.909 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.097 61.459 -43.699 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.921 65.215 -42.683 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.341 60.477 -44.092 1.00 0.00 H new ATOM 0 HE2 TYR A 48 54.162 64.230 -43.072 1.00 0.00 H new ATOM 0 HH TYR A 48 55.331 62.422 -43.656 1.00 0.00 H new ATOM 800 N ILE A 49 46.700 63.078 -41.414 1.00 0.00 N ATOM 801 CA ILE A 49 45.419 63.555 -40.819 1.00 0.00 C ATOM 802 C ILE A 49 45.686 64.005 -39.372 1.00 0.00 C ATOM 803 O ILE A 49 46.033 63.197 -38.533 1.00 0.00 O ATOM 804 CB ILE A 49 44.412 62.408 -40.846 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.005 62.117 -42.293 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.166 62.763 -40.031 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.179 61.463 -43.023 1.00 0.00 C ATOM 0 H ILE A 49 47.228 62.423 -40.837 1.00 0.00 H new ATOM 0 HA ILE A 49 45.016 64.396 -41.384 1.00 0.00 H new ATOM 0 HB ILE A 49 44.879 61.526 -40.407 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.136 61.459 -42.314 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.718 63.041 -42.795 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.461 61.932 -40.063 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.451 62.957 -38.997 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.697 63.653 -40.452 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.895 61.253 -44.054 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.035 62.137 -43.012 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.445 60.531 -42.523 1.00 0.00 H new ATOM 819 N PRO A 50 45.543 65.289 -39.128 1.00 0.00 N ATOM 820 CA PRO A 50 45.794 65.883 -37.797 1.00 0.00 C ATOM 821 C PRO A 50 44.638 65.608 -36.826 1.00 0.00 C ATOM 822 O PRO A 50 43.483 65.775 -37.159 1.00 0.00 O ATOM 823 CB PRO A 50 45.905 67.381 -38.090 1.00 0.00 C ATOM 824 CG PRO A 50 45.165 67.621 -39.427 1.00 0.00 C ATOM 825 CD PRO A 50 45.116 66.265 -40.152 1.00 0.00 C ATOM 0 HA PRO A 50 46.681 65.468 -37.319 1.00 0.00 H new ATOM 0 HB2 PRO A 50 45.457 67.968 -37.288 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.949 67.686 -38.164 1.00 0.00 H new ATOM 0 HG2 PRO A 50 44.159 68.002 -39.250 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.686 68.364 -40.030 1.00 0.00 H new ATOM 0 HD2 PRO A 50 44.113 66.045 -40.518 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.780 66.251 -41.016 1.00 0.00 H new ATOM 832 N SER A 51 44.952 65.200 -35.622 1.00 0.00 N ATOM 833 CA SER A 51 43.889 64.919 -34.614 1.00 0.00 C ATOM 834 C SER A 51 43.166 66.219 -34.241 1.00 0.00 C ATOM 835 O SER A 51 42.047 66.202 -33.770 1.00 0.00 O ATOM 836 CB SER A 51 44.528 64.331 -33.359 1.00 0.00 C ATOM 837 OG SER A 51 44.954 63.001 -33.627 1.00 0.00 O ATOM 0 H SER A 51 45.906 65.049 -35.294 1.00 0.00 H new ATOM 0 HA SER A 51 43.174 64.213 -35.037 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.376 64.941 -33.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.813 64.337 -32.536 1.00 0.00 H new ATOM 0 HG SER A 51 45.914 62.998 -33.822 1.00 0.00 H new ATOM 843 N ASN A 52 43.803 67.342 -34.433 1.00 0.00 N ATOM 844 CA ASN A 52 43.157 68.639 -34.072 1.00 0.00 C ATOM 845 C ASN A 52 41.982 68.927 -35.011 1.00 0.00 C ATOM 846 O ASN A 52 41.190 69.816 -34.768 1.00 0.00 O ATOM 847 CB ASN A 52 44.186 69.766 -34.188 1.00 0.00 C ATOM 848 CG ASN A 52 44.777 69.775 -35.599 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.116 69.407 -36.549 1.00 0.00 O ATOM 850 ND2 ASN A 52 46.004 70.185 -35.776 1.00 0.00 N ATOM 0 H ASN A 52 44.742 67.419 -34.824 1.00 0.00 H new ATOM 0 HA ASN A 52 42.786 68.578 -33.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.716 70.726 -33.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.978 69.627 -33.452 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.408 70.196 -36.713 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.559 70.494 -34.978 1.00 0.00 H new ATOM 857 N TYR A 53 41.857 68.190 -36.079 1.00 0.00 N ATOM 858 CA TYR A 53 40.726 68.436 -37.022 1.00 0.00 C ATOM 859 C TYR A 53 39.931 67.143 -37.217 1.00 0.00 C ATOM 860 O TYR A 53 39.068 67.055 -38.067 1.00 0.00 O ATOM 861 CB TYR A 53 41.280 68.906 -38.369 1.00 0.00 C ATOM 862 CG TYR A 53 42.114 70.147 -38.161 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.758 71.070 -37.172 1.00 0.00 C ATOM 864 CD2 TYR A 53 43.244 70.375 -38.956 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.531 72.222 -36.977 1.00 0.00 C ATOM 866 CE2 TYR A 53 44.017 71.525 -38.761 1.00 0.00 C ATOM 867 CZ TYR A 53 43.660 72.449 -37.771 1.00 0.00 C ATOM 868 OH TYR A 53 44.423 73.584 -37.580 1.00 0.00 O ATOM 0 H TYR A 53 42.485 67.430 -36.341 1.00 0.00 H new ATOM 0 HA TYR A 53 40.070 69.204 -36.611 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.884 68.119 -38.821 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.462 69.115 -39.058 1.00 0.00 H new ATOM 0 HD1 TYR A 53 40.887 70.894 -36.558 1.00 0.00 H new ATOM 0 HD2 TYR A 53 43.519 69.663 -39.720 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.255 72.935 -36.214 1.00 0.00 H new ATOM 0 HE2 TYR A 53 44.889 71.700 -39.374 1.00 0.00 H new ATOM 0 HH TYR A 53 45.170 73.586 -38.214 1.00 0.00 H new ATOM 878 N VAL A 54 40.219 66.144 -36.430 1.00 0.00 N ATOM 879 CA VAL A 54 39.500 64.842 -36.547 1.00 0.00 C ATOM 880 C VAL A 54 39.376 64.234 -35.163 1.00 0.00 C ATOM 881 O VAL A 54 39.386 64.929 -34.167 1.00 0.00 O ATOM 882 CB VAL A 54 40.312 63.910 -37.436 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.668 64.633 -38.728 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.586 63.522 -36.701 1.00 0.00 C ATOM 0 H VAL A 54 40.931 66.174 -35.701 1.00 0.00 H new ATOM 0 HA VAL A 54 38.510 64.991 -36.979 1.00 0.00 H new ATOM 0 HB VAL A 54 39.734 63.016 -37.671 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.250 63.969 -39.368 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.754 64.926 -39.245 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.256 65.522 -38.498 1.00 0.00 H new ATOM 0 HG21 VAL A 54 42.178 62.854 -37.327 1.00 0.00 H new ATOM 0 HG22 VAL A 54 42.165 64.418 -36.478 1.00 0.00 H new ATOM 0 HG23 VAL A 54 41.329 63.015 -35.771 1.00 0.00 H new ATOM 894 N THR A 55 39.270 62.946 -35.085 1.00 0.00 N ATOM 895 CA THR A 55 39.155 62.324 -33.752 1.00 0.00 C ATOM 896 C THR A 55 39.192 60.795 -33.860 1.00 0.00 C ATOM 897 O THR A 55 40.038 60.255 -34.524 1.00 0.00 O ATOM 898 CB THR A 55 37.878 62.828 -33.095 1.00 0.00 C ATOM 899 OG1 THR A 55 37.779 62.317 -31.774 1.00 0.00 O ATOM 900 CG2 THR A 55 36.656 62.409 -33.907 1.00 0.00 C ATOM 0 H THR A 55 39.258 62.304 -35.877 1.00 0.00 H new ATOM 0 HA THR A 55 40.003 62.605 -33.128 1.00 0.00 H new ATOM 0 HB THR A 55 37.914 63.917 -33.057 1.00 0.00 H new ATOM 0 HG1 THR A 55 38.671 62.277 -31.371 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.753 62.778 -33.422 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.725 62.827 -34.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.616 61.322 -33.969 1.00 0.00 H new ATOM 908 N GLU A 56 38.321 60.088 -33.194 1.00 0.00 N ATOM 909 CA GLU A 56 38.382 58.595 -33.242 1.00 0.00 C ATOM 910 C GLU A 56 39.847 58.155 -33.106 1.00 0.00 C ATOM 911 O GLU A 56 40.486 58.435 -32.112 1.00 0.00 O ATOM 912 CB GLU A 56 37.778 58.055 -34.536 1.00 0.00 C ATOM 913 CG GLU A 56 36.340 58.554 -34.679 1.00 0.00 C ATOM 914 CD GLU A 56 35.391 57.577 -33.983 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.310 56.442 -34.427 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.762 57.978 -33.019 1.00 0.00 O ATOM 0 H GLU A 56 37.572 60.475 -32.620 1.00 0.00 H new ATOM 0 HA GLU A 56 37.795 58.189 -32.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.373 58.380 -35.390 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.796 56.965 -34.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.243 59.547 -34.240 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.078 58.644 -35.733 1.00 0.00 H new ATOM 923 N ALA A 57 40.393 57.474 -34.078 1.00 0.00 N ATOM 924 CA ALA A 57 41.814 57.038 -33.970 1.00 0.00 C ATOM 925 C ALA A 57 42.742 58.261 -34.002 1.00 0.00 C ATOM 926 O ALA A 57 43.615 58.362 -34.841 1.00 0.00 O ATOM 927 CB ALA A 57 42.151 56.119 -35.144 1.00 0.00 C ATOM 0 H ALA A 57 39.918 57.202 -34.939 1.00 0.00 H new ATOM 0 HA ALA A 57 41.955 56.505 -33.029 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.190 55.798 -35.068 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.499 55.246 -35.121 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.005 56.657 -36.081 1.00 0.00 H new ATOM 933 N GLU A 58 42.568 59.186 -33.096 1.00 0.00 N ATOM 934 CA GLU A 58 43.447 60.392 -33.080 1.00 0.00 C ATOM 935 C GLU A 58 44.835 60.001 -32.569 1.00 0.00 C ATOM 936 O GLU A 58 45.500 59.236 -33.249 1.00 0.00 O ATOM 937 CB GLU A 58 42.843 61.449 -32.152 1.00 0.00 C ATOM 938 CG GLU A 58 42.788 60.904 -30.723 1.00 0.00 C ATOM 939 CD GLU A 58 41.539 61.437 -30.019 1.00 0.00 C ATOM 940 OE1 GLU A 58 40.864 62.270 -30.603 1.00 0.00 O ATOM 941 OE2 GLU A 58 41.277 61.003 -28.910 1.00 0.00 O ATOM 942 OXT GLU A 58 45.210 60.473 -31.510 1.00 0.00 O ATOM 0 H GLU A 58 41.856 59.159 -32.367 1.00 0.00 H new ATOM 0 HA GLU A 58 43.530 60.797 -34.089 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.442 62.359 -32.182 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.841 61.715 -32.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.772 59.814 -30.739 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.682 61.202 -30.175 1.00 0.00 H new