USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.384 K(o=-0.38,f=-2) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= 0.0496 (180deg=0.0329) 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 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.864 F(o=-1.7,f=-0.86) USER MOD Single : A 16 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.025) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -30:sc= -2.49! USER MOD Single : A 32 SER OG : rot 62:sc= 0.0154 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.1!) USER MOD Single : A 45 GLN :FLIP amide:sc= 0.704 F(o=0,f=0.7) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 86:sc= -1.6! USER MOD Single : A 52 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 35:sc= 0.905 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 44.641 48.989 -35.849 1.00 0.00 N ATOM 2 CA LEU A 1 43.798 49.706 -36.847 1.00 0.00 C ATOM 3 C LEU A 1 42.783 50.590 -36.118 1.00 0.00 C ATOM 4 O LEU A 1 42.128 50.162 -35.188 1.00 0.00 O ATOM 5 CB LEU A 1 43.056 48.686 -37.713 1.00 0.00 C ATOM 6 CG LEU A 1 42.635 49.344 -39.028 1.00 0.00 C ATOM 7 CD1 LEU A 1 43.840 49.426 -39.968 1.00 0.00 C ATOM 8 CD2 LEU A 1 41.535 48.508 -39.686 1.00 0.00 C ATOM 0 H1 LEU A 1 45.331 48.388 -36.345 1.00 0.00 H new ATOM 0 H2 LEU A 1 45.146 49.681 -35.259 1.00 0.00 H new ATOM 0 H3 LEU A 1 44.036 48.396 -35.246 1.00 0.00 H new ATOM 0 HA LEU A 1 44.433 50.327 -37.479 1.00 0.00 H new ATOM 0 HB2 LEU A 1 43.697 47.827 -37.913 1.00 0.00 H new ATOM 0 HB3 LEU A 1 42.179 48.313 -37.184 1.00 0.00 H new ATOM 0 HG LEU A 1 42.261 50.348 -38.827 1.00 0.00 H new ATOM 0 HD11 LEU A 1 43.539 49.895 -40.905 1.00 0.00 H new ATOM 0 HD12 LEU A 1 44.626 50.019 -39.501 1.00 0.00 H new ATOM 0 HD13 LEU A 1 44.214 48.422 -40.168 1.00 0.00 H new ATOM 0 HD21 LEU A 1 41.234 48.976 -40.623 1.00 0.00 H new ATOM 0 HD22 LEU A 1 41.911 47.505 -39.886 1.00 0.00 H new ATOM 0 HD23 LEU A 1 40.676 48.447 -39.018 1.00 0.00 H new ATOM 22 N LYS A 2 42.648 51.820 -36.532 1.00 0.00 N ATOM 23 CA LYS A 2 41.676 52.729 -35.863 1.00 0.00 C ATOM 24 C LYS A 2 40.797 53.404 -36.919 1.00 0.00 C ATOM 25 O LYS A 2 40.860 53.082 -38.089 1.00 0.00 O ATOM 26 CB LYS A 2 42.438 53.796 -35.074 1.00 0.00 C ATOM 27 CG LYS A 2 43.663 53.163 -34.409 1.00 0.00 C ATOM 28 CD LYS A 2 44.137 54.050 -33.256 1.00 0.00 C ATOM 29 CE LYS A 2 45.626 53.809 -33.005 1.00 0.00 C ATOM 30 NZ LYS A 2 46.113 54.756 -31.961 1.00 0.00 N ATOM 0 H LYS A 2 43.169 52.234 -37.305 1.00 0.00 H new ATOM 0 HA LYS A 2 41.048 52.153 -35.183 1.00 0.00 H new ATOM 0 HB2 LYS A 2 42.748 54.602 -35.739 1.00 0.00 H new ATOM 0 HB3 LYS A 2 41.788 54.238 -34.318 1.00 0.00 H new ATOM 0 HG2 LYS A 2 43.415 52.169 -34.038 1.00 0.00 H new ATOM 0 HG3 LYS A 2 44.463 53.040 -35.139 1.00 0.00 H new ATOM 0 HD2 LYS A 2 43.963 55.099 -33.495 1.00 0.00 H new ATOM 0 HD3 LYS A 2 43.565 53.829 -32.355 1.00 0.00 H new ATOM 0 HE2 LYS A 2 45.790 52.781 -32.683 1.00 0.00 H new ATOM 0 HE3 LYS A 2 46.189 53.948 -33.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 47.067 54.475 -31.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 46.144 55.719 -32.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 45.468 54.735 -31.145 1.00 0.00 H new ATOM 44 N LYS A 3 39.978 54.335 -36.517 1.00 0.00 N ATOM 45 CA LYS A 3 39.095 55.027 -37.501 1.00 0.00 C ATOM 46 C LYS A 3 38.861 56.469 -37.046 1.00 0.00 C ATOM 47 O LYS A 3 37.759 56.855 -36.713 1.00 0.00 O ATOM 48 CB LYS A 3 37.757 54.292 -37.588 1.00 0.00 C ATOM 49 CG LYS A 3 37.910 53.069 -38.493 1.00 0.00 C ATOM 50 CD LYS A 3 36.687 52.162 -38.338 1.00 0.00 C ATOM 51 CE LYS A 3 36.726 51.067 -39.405 1.00 0.00 C ATOM 52 NZ LYS A 3 35.561 51.223 -40.321 1.00 0.00 N ATOM 0 H LYS A 3 39.881 54.648 -35.551 1.00 0.00 H new ATOM 0 HA LYS A 3 39.570 55.029 -38.482 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.433 53.985 -36.594 1.00 0.00 H new ATOM 0 HB3 LYS A 3 36.989 54.957 -37.983 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.014 53.383 -39.532 1.00 0.00 H new ATOM 0 HG3 LYS A 3 38.817 52.522 -38.233 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.676 51.716 -37.344 1.00 0.00 H new ATOM 0 HD3 LYS A 3 35.772 52.747 -38.435 1.00 0.00 H new ATOM 0 HE2 LYS A 3 37.656 51.128 -39.969 1.00 0.00 H new ATOM 0 HE3 LYS A 3 36.702 50.084 -38.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 35.588 50.478 -41.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 34.678 51.145 -39.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.603 52.155 -40.780 1.00 0.00 H new ATOM 66 N VAL A 4 39.893 57.265 -37.033 1.00 0.00 N ATOM 67 CA VAL A 4 39.745 58.688 -36.602 1.00 0.00 C ATOM 68 C VAL A 4 38.880 59.437 -37.626 1.00 0.00 C ATOM 69 O VAL A 4 39.252 59.591 -38.771 1.00 0.00 O ATOM 70 CB VAL A 4 41.134 59.330 -36.532 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.962 58.873 -37.727 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.012 60.852 -36.556 1.00 0.00 C ATOM 0 H VAL A 4 40.838 56.992 -37.303 1.00 0.00 H new ATOM 0 HA VAL A 4 39.269 58.737 -35.623 1.00 0.00 H new ATOM 0 HB VAL A 4 41.620 59.026 -35.605 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.951 59.328 -37.680 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.061 57.788 -37.707 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.467 59.176 -38.650 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.006 61.297 -36.506 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.521 61.163 -37.478 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.422 61.183 -35.701 1.00 0.00 H new ATOM 82 N VAL A 5 37.725 59.889 -37.224 1.00 0.00 N ATOM 83 CA VAL A 5 36.828 60.611 -38.171 1.00 0.00 C ATOM 84 C VAL A 5 37.102 62.118 -38.160 1.00 0.00 C ATOM 85 O VAL A 5 37.177 62.733 -37.128 1.00 0.00 O ATOM 86 CB VAL A 5 35.383 60.350 -37.775 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.257 60.506 -36.264 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.472 61.355 -38.476 1.00 0.00 C ATOM 0 H VAL A 5 37.362 59.789 -36.276 1.00 0.00 H new ATOM 0 HA VAL A 5 37.018 60.244 -39.180 1.00 0.00 H new ATOM 0 HB VAL A 5 35.090 59.342 -38.069 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.225 60.322 -35.964 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.912 59.790 -35.768 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.543 61.518 -35.978 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.437 61.167 -38.192 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.752 62.367 -38.182 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.577 61.249 -39.556 1.00 0.00 H new ATOM 98 N ALA A 6 37.221 62.718 -39.308 1.00 0.00 N ATOM 99 CA ALA A 6 37.483 64.187 -39.375 1.00 0.00 C ATOM 100 C ALA A 6 36.484 64.968 -38.513 1.00 0.00 C ATOM 101 O ALA A 6 35.588 64.414 -37.907 1.00 0.00 O ATOM 102 CB ALA A 6 37.340 64.655 -40.827 1.00 0.00 C ATOM 0 H ALA A 6 37.148 62.253 -40.213 1.00 0.00 H new ATOM 0 HA ALA A 6 38.490 64.372 -39.002 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.530 65.727 -40.884 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.059 64.125 -41.452 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.330 64.446 -41.179 1.00 0.00 H new ATOM 108 N LEU A 7 36.645 66.269 -38.471 1.00 0.00 N ATOM 109 CA LEU A 7 35.729 67.136 -37.670 1.00 0.00 C ATOM 110 C LEU A 7 35.570 68.474 -38.386 1.00 0.00 C ATOM 111 O LEU A 7 34.477 68.901 -38.698 1.00 0.00 O ATOM 112 CB LEU A 7 36.343 67.400 -36.291 1.00 0.00 C ATOM 113 CG LEU A 7 35.305 67.194 -35.190 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.338 68.380 -35.172 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.526 65.901 -35.439 1.00 0.00 C ATOM 0 H LEU A 7 37.382 66.772 -38.965 1.00 0.00 H new ATOM 0 HA LEU A 7 34.765 66.639 -37.558 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.189 66.732 -36.130 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.729 68.419 -36.248 1.00 0.00 H new ATOM 0 HG LEU A 7 35.814 67.123 -34.229 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.597 68.233 -34.386 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.893 69.299 -34.981 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.835 68.454 -36.136 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.788 65.763 -34.649 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.019 65.961 -36.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.215 65.056 -35.444 1.00 0.00 H new ATOM 127 N TYR A 8 36.664 69.137 -38.638 1.00 0.00 N ATOM 128 CA TYR A 8 36.606 70.455 -39.324 1.00 0.00 C ATOM 129 C TYR A 8 37.357 70.361 -40.656 1.00 0.00 C ATOM 130 O TYR A 8 38.416 69.772 -40.743 1.00 0.00 O ATOM 131 CB TYR A 8 37.252 71.507 -38.424 1.00 0.00 C ATOM 132 CG TYR A 8 36.736 71.330 -37.013 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.400 71.626 -36.713 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.593 70.870 -36.005 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.923 71.463 -35.407 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.115 70.707 -34.700 1.00 0.00 C ATOM 137 CZ TYR A 8 35.780 71.004 -34.400 1.00 0.00 C ATOM 138 OH TYR A 8 35.310 70.843 -33.113 1.00 0.00 O ATOM 0 H TYR A 8 37.602 68.819 -38.396 1.00 0.00 H new ATOM 0 HA TYR A 8 35.572 70.737 -39.521 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.337 71.405 -38.444 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.019 72.508 -38.787 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.738 71.980 -37.489 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.623 70.641 -36.235 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.893 71.692 -35.176 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.776 70.352 -33.924 1.00 0.00 H new ATOM 0 HH TYR A 8 36.034 70.516 -32.539 1.00 0.00 H new ATOM 148 N ASP A 9 36.809 70.924 -41.698 1.00 0.00 N ATOM 149 CA ASP A 9 37.479 70.854 -43.030 1.00 0.00 C ATOM 150 C ASP A 9 38.931 71.325 -42.916 1.00 0.00 C ATOM 151 O ASP A 9 39.212 72.377 -42.377 1.00 0.00 O ATOM 152 CB ASP A 9 36.731 71.747 -44.025 1.00 0.00 C ATOM 153 CG ASP A 9 37.570 71.917 -45.293 1.00 0.00 C ATOM 154 OD1 ASP A 9 38.525 71.174 -45.453 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.243 72.787 -46.084 1.00 0.00 O ATOM 0 H ASP A 9 35.924 71.431 -41.685 1.00 0.00 H new ATOM 0 HA ASP A 9 37.466 69.822 -43.379 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.766 71.305 -44.272 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.530 72.720 -43.576 1.00 0.00 H new ATOM 160 N TYR A 10 39.854 70.556 -43.430 1.00 0.00 N ATOM 161 CA TYR A 10 41.286 70.961 -43.364 1.00 0.00 C ATOM 162 C TYR A 10 41.968 70.612 -44.688 1.00 0.00 C ATOM 163 O TYR A 10 41.865 69.505 -45.172 1.00 0.00 O ATOM 164 CB TYR A 10 41.977 70.213 -42.223 1.00 0.00 C ATOM 165 CG TYR A 10 42.797 71.188 -41.415 1.00 0.00 C ATOM 166 CD1 TYR A 10 42.166 72.236 -40.737 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.187 71.044 -41.346 1.00 0.00 C ATOM 168 CE1 TYR A 10 42.925 73.142 -39.987 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.947 71.949 -40.597 1.00 0.00 C ATOM 170 CZ TYR A 10 44.317 72.998 -39.918 1.00 0.00 C ATOM 171 OH TYR A 10 45.066 73.892 -39.180 1.00 0.00 O ATOM 0 H TYR A 10 39.677 69.664 -43.893 1.00 0.00 H new ATOM 0 HA TYR A 10 41.355 72.034 -43.186 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.235 69.729 -41.588 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.616 69.426 -42.623 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.093 72.346 -40.792 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.673 70.235 -41.871 1.00 0.00 H new ATOM 0 HE1 TYR A 10 42.438 73.951 -39.462 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.020 71.838 -40.543 1.00 0.00 H new ATOM 0 HH TYR A 10 46.014 73.649 -39.236 1.00 0.00 H new ATOM 181 N MET A 11 42.659 71.547 -45.282 1.00 0.00 N ATOM 182 CA MET A 11 43.335 71.262 -46.573 1.00 0.00 C ATOM 183 C MET A 11 44.788 70.848 -46.317 1.00 0.00 C ATOM 184 O MET A 11 45.295 71.012 -45.226 1.00 0.00 O ATOM 185 CB MET A 11 43.309 72.515 -47.450 1.00 0.00 C ATOM 186 CG MET A 11 42.206 72.379 -48.501 1.00 0.00 C ATOM 187 SD MET A 11 41.940 73.977 -49.309 1.00 0.00 S ATOM 188 CE MET A 11 40.915 73.374 -50.672 1.00 0.00 C ATOM 0 H MET A 11 42.783 72.495 -44.926 1.00 0.00 H new ATOM 0 HA MET A 11 42.814 70.450 -47.080 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.134 73.398 -46.836 1.00 0.00 H new ATOM 0 HB3 MET A 11 44.275 72.651 -47.936 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.484 71.628 -49.240 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.283 72.038 -48.032 1.00 0.00 H new ATOM 0 HE1 MET A 11 40.630 74.210 -51.311 1.00 0.00 H new ATOM 0 HE2 MET A 11 41.478 72.646 -51.256 1.00 0.00 H new ATOM 0 HE3 MET A 11 40.018 72.902 -50.271 1.00 0.00 H new ATOM 198 N PRO A 12 45.414 70.322 -47.340 1.00 0.00 N ATOM 199 CA PRO A 12 46.814 69.871 -47.271 1.00 0.00 C ATOM 200 C PRO A 12 47.765 71.069 -47.360 1.00 0.00 C ATOM 201 O PRO A 12 47.880 71.706 -48.387 1.00 0.00 O ATOM 202 CB PRO A 12 46.962 68.967 -48.498 1.00 0.00 C ATOM 203 CG PRO A 12 45.852 69.393 -49.489 1.00 0.00 C ATOM 204 CD PRO A 12 44.781 70.129 -48.662 1.00 0.00 C ATOM 0 HA PRO A 12 47.054 69.359 -46.339 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.949 69.080 -48.947 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.856 67.918 -48.223 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.255 70.042 -50.266 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.425 68.524 -49.989 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.511 71.082 -49.117 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.866 69.543 -48.584 1.00 0.00 H new ATOM 211 N MET A 13 48.445 71.381 -46.291 1.00 0.00 N ATOM 212 CA MET A 13 49.382 72.541 -46.318 1.00 0.00 C ATOM 213 C MET A 13 50.785 72.084 -45.907 1.00 0.00 C ATOM 214 O MET A 13 51.772 72.705 -46.250 1.00 0.00 O ATOM 215 CB MET A 13 48.891 73.613 -45.345 1.00 0.00 C ATOM 216 CG MET A 13 48.378 72.946 -44.067 1.00 0.00 C ATOM 217 SD MET A 13 48.168 74.196 -42.775 1.00 0.00 S ATOM 218 CE MET A 13 49.770 73.957 -41.967 1.00 0.00 C ATOM 0 H MET A 13 48.393 70.884 -45.402 1.00 0.00 H new ATOM 0 HA MET A 13 49.419 72.951 -47.327 1.00 0.00 H new ATOM 0 HB2 MET A 13 49.701 74.303 -45.108 1.00 0.00 H new ATOM 0 HB3 MET A 13 48.097 74.201 -45.805 1.00 0.00 H new ATOM 0 HG2 MET A 13 47.429 72.446 -44.261 1.00 0.00 H new ATOM 0 HG3 MET A 13 49.080 72.181 -43.737 1.00 0.00 H new ATOM 0 HE1 MET A 13 49.858 74.641 -41.123 1.00 0.00 H new ATOM 0 HE2 MET A 13 49.848 72.930 -41.611 1.00 0.00 H new ATOM 0 HE3 MET A 13 50.570 74.156 -42.680 1.00 0.00 H new ATOM 228 N ASN A 14 50.884 71.009 -45.174 1.00 0.00 N ATOM 229 CA ASN A 14 52.226 70.525 -44.743 1.00 0.00 C ATOM 230 C ASN A 14 52.902 69.783 -45.898 1.00 0.00 C ATOM 231 O ASN A 14 53.846 70.266 -46.489 1.00 0.00 O ATOM 232 CB ASN A 14 52.069 69.578 -43.551 1.00 0.00 C ATOM 233 CG ASN A 14 53.384 69.517 -42.772 1.00 0.00 C ATOM 234 OD1 ASN A 14 53.907 68.355 -42.489 1.00 0.00 O flip ATOM 235 ND2 ASN A 14 53.942 70.536 -42.417 1.00 0.00 N flip ATOM 0 H ASN A 14 50.095 70.446 -44.855 1.00 0.00 H new ATOM 0 HA ASN A 14 52.840 71.377 -44.453 1.00 0.00 H new ATOM 0 HB2 ASN A 14 51.265 69.924 -42.902 1.00 0.00 H new ATOM 0 HB3 ASN A 14 51.793 68.582 -43.898 1.00 0.00 H new ATOM 0 HD21 ASN A 14 53.534 71.444 -42.638 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.819 70.483 -41.898 1.00 0.00 H new ATOM 242 N ALA A 15 52.429 68.610 -46.223 1.00 0.00 N ATOM 243 CA ALA A 15 53.051 67.842 -47.338 1.00 0.00 C ATOM 244 C ALA A 15 51.970 67.067 -48.094 1.00 0.00 C ATOM 245 O ALA A 15 51.637 67.384 -49.218 1.00 0.00 O ATOM 246 CB ALA A 15 54.079 66.862 -46.769 1.00 0.00 C ATOM 0 H ALA A 15 51.641 68.152 -45.766 1.00 0.00 H new ATOM 0 HA ALA A 15 53.545 68.532 -48.022 1.00 0.00 H new ATOM 0 HB1 ALA A 15 54.535 66.299 -47.584 1.00 0.00 H new ATOM 0 HB2 ALA A 15 54.851 67.415 -46.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 53.585 66.173 -46.084 1.00 0.00 H new ATOM 252 N ASN A 16 51.422 66.048 -47.489 1.00 0.00 N ATOM 253 CA ASN A 16 50.367 65.254 -48.178 1.00 0.00 C ATOM 254 C ASN A 16 49.227 64.954 -47.203 1.00 0.00 C ATOM 255 O ASN A 16 48.657 63.881 -47.210 1.00 0.00 O ATOM 256 CB ASN A 16 50.966 63.938 -48.678 1.00 0.00 C ATOM 257 CG ASN A 16 50.487 63.667 -50.106 1.00 0.00 C ATOM 258 OD1 ASN A 16 49.932 62.623 -50.385 1.00 0.00 O ATOM 259 ND2 ASN A 16 50.680 64.571 -51.028 1.00 0.00 N ATOM 0 H ASN A 16 51.659 65.732 -46.549 1.00 0.00 H new ATOM 0 HA ASN A 16 49.980 65.825 -49.022 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.055 63.989 -48.652 1.00 0.00 H new ATOM 0 HB3 ASN A 16 50.669 63.119 -48.022 1.00 0.00 H new ATOM 0 HD21 ASN A 16 50.365 64.401 -51.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 51.146 65.447 -50.793 1.00 0.00 H new ATOM 266 N ASP A 17 48.886 65.894 -46.363 1.00 0.00 N ATOM 267 CA ASP A 17 47.782 65.658 -45.391 1.00 0.00 C ATOM 268 C ASP A 17 46.486 65.373 -46.155 1.00 0.00 C ATOM 269 O ASP A 17 46.263 65.905 -47.225 1.00 0.00 O ATOM 270 CB ASP A 17 47.597 66.901 -44.518 1.00 0.00 C ATOM 271 CG ASP A 17 48.921 67.248 -43.836 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.161 66.733 -42.756 1.00 0.00 O ATOM 273 OD2 ASP A 17 49.672 68.023 -44.405 1.00 0.00 O ATOM 0 H ASP A 17 49.324 66.814 -46.308 1.00 0.00 H new ATOM 0 HA ASP A 17 48.028 64.805 -44.759 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.259 67.739 -45.127 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.826 66.721 -43.769 1.00 0.00 H new ATOM 278 N LEU A 18 45.624 64.545 -45.624 1.00 0.00 N ATOM 279 CA LEU A 18 44.352 64.252 -46.341 1.00 0.00 C ATOM 280 C LEU A 18 43.368 65.392 -46.094 1.00 0.00 C ATOM 281 O LEU A 18 43.001 65.678 -44.974 1.00 0.00 O ATOM 282 CB LEU A 18 43.763 62.939 -45.803 1.00 0.00 C ATOM 283 CG LEU A 18 44.037 61.731 -46.731 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.043 62.058 -47.846 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.597 60.591 -45.882 1.00 0.00 C ATOM 0 H LEU A 18 45.746 64.064 -44.733 1.00 0.00 H new ATOM 0 HA LEU A 18 44.539 64.156 -47.410 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.182 62.736 -44.817 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.687 63.055 -45.674 1.00 0.00 H new ATOM 0 HG LEU A 18 43.097 61.456 -47.210 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.198 61.175 -48.467 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.654 62.870 -48.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 45.992 62.361 -47.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.797 59.728 -46.518 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.523 60.913 -45.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.871 60.317 -45.117 1.00 0.00 H new ATOM 297 N GLN A 19 42.940 66.050 -47.137 1.00 0.00 N ATOM 298 CA GLN A 19 41.979 67.173 -46.962 1.00 0.00 C ATOM 299 C GLN A 19 40.779 66.675 -46.157 1.00 0.00 C ATOM 300 O GLN A 19 40.074 65.776 -46.572 1.00 0.00 O ATOM 301 CB GLN A 19 41.510 67.667 -48.332 1.00 0.00 C ATOM 302 CG GLN A 19 40.300 68.586 -48.160 1.00 0.00 C ATOM 303 CD GLN A 19 40.058 69.360 -49.457 1.00 0.00 C ATOM 304 OE1 GLN A 19 40.959 69.978 -49.986 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.868 69.353 -49.994 1.00 0.00 N ATOM 0 H GLN A 19 43.214 65.858 -48.100 1.00 0.00 H new ATOM 0 HA GLN A 19 42.463 67.995 -46.434 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.317 68.202 -48.833 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.248 66.819 -48.965 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.418 67.999 -47.904 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.471 69.280 -47.337 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.111 68.834 -49.549 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.695 69.867 -50.858 1.00 0.00 H new ATOM 314 N LEU A 20 40.542 67.238 -45.002 1.00 0.00 N ATOM 315 CA LEU A 20 39.392 66.768 -44.184 1.00 0.00 C ATOM 316 C LEU A 20 38.082 67.289 -44.762 1.00 0.00 C ATOM 317 O LEU A 20 38.031 68.320 -45.403 1.00 0.00 O ATOM 318 CB LEU A 20 39.535 67.257 -42.740 1.00 0.00 C ATOM 319 CG LEU A 20 40.746 66.607 -42.059 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.389 66.307 -40.607 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.138 65.296 -42.754 1.00 0.00 C ATOM 0 H LEU A 20 41.090 67.995 -44.595 1.00 0.00 H new ATOM 0 HA LEU A 20 39.384 65.678 -44.199 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.645 68.341 -42.728 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.629 67.022 -42.181 1.00 0.00 H new ATOM 0 HG LEU A 20 41.589 67.295 -42.120 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.242 65.844 -40.111 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.132 67.235 -40.096 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.538 65.627 -40.575 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.999 64.859 -42.248 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.301 64.598 -42.713 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.392 65.498 -43.795 1.00 0.00 H new ATOM 333 N ARG A 21 37.018 66.583 -44.520 1.00 0.00 N ATOM 334 CA ARG A 21 35.691 67.022 -45.028 1.00 0.00 C ATOM 335 C ARG A 21 34.659 66.822 -43.926 1.00 0.00 C ATOM 336 O ARG A 21 33.475 66.713 -44.171 1.00 0.00 O ATOM 337 CB ARG A 21 35.305 66.207 -46.264 1.00 0.00 C ATOM 338 CG ARG A 21 35.070 67.152 -47.445 1.00 0.00 C ATOM 339 CD ARG A 21 33.593 67.547 -47.499 1.00 0.00 C ATOM 340 NE ARG A 21 33.221 67.890 -48.900 1.00 0.00 N ATOM 341 CZ ARG A 21 33.850 68.847 -49.527 1.00 0.00 C ATOM 342 NH1 ARG A 21 34.461 69.780 -48.849 1.00 0.00 N ATOM 343 NH2 ARG A 21 33.868 68.871 -50.831 1.00 0.00 N ATOM 0 H ARG A 21 37.009 65.713 -43.988 1.00 0.00 H new ATOM 0 HA ARG A 21 35.732 68.074 -45.310 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.095 65.496 -46.505 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.404 65.627 -46.064 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.691 68.042 -47.341 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.361 66.666 -48.376 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.973 66.727 -47.137 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.409 68.399 -46.844 1.00 0.00 H new ATOM 0 HE ARG A 21 32.475 67.377 -49.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.447 69.761 -47.829 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.952 70.528 -49.339 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.391 68.142 -51.361 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.359 69.619 -51.321 1.00 0.00 H new ATOM 357 N LYS A 22 35.123 66.791 -42.713 1.00 0.00 N ATOM 358 CA LYS A 22 34.226 66.617 -41.538 1.00 0.00 C ATOM 359 C LYS A 22 33.149 65.570 -41.817 1.00 0.00 C ATOM 360 O LYS A 22 32.181 65.824 -42.506 1.00 0.00 O ATOM 361 CB LYS A 22 33.549 67.941 -41.220 1.00 0.00 C ATOM 362 CG LYS A 22 34.531 69.072 -41.475 1.00 0.00 C ATOM 363 CD LYS A 22 34.097 69.859 -42.711 1.00 0.00 C ATOM 364 CE LYS A 22 32.663 70.358 -42.524 1.00 0.00 C ATOM 365 NZ LYS A 22 31.867 70.055 -43.747 1.00 0.00 N ATOM 0 H LYS A 22 36.112 66.881 -42.479 1.00 0.00 H new ATOM 0 HA LYS A 22 34.831 66.283 -40.695 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.660 68.067 -41.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.219 67.955 -40.181 1.00 0.00 H new ATOM 0 HG2 LYS A 22 34.575 69.732 -40.608 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.534 68.670 -41.621 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.768 70.703 -42.872 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.161 69.228 -43.597 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.211 69.880 -41.655 1.00 0.00 H new ATOM 0 HE3 LYS A 22 32.662 71.431 -42.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.892 70.394 -43.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.295 70.531 -44.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.858 69.028 -43.909 1.00 0.00 H new ATOM 379 N GLY A 23 33.295 64.401 -41.271 1.00 0.00 N ATOM 380 CA GLY A 23 32.265 63.350 -41.500 1.00 0.00 C ATOM 381 C GLY A 23 32.952 62.086 -41.993 1.00 0.00 C ATOM 382 O GLY A 23 33.051 61.104 -41.283 1.00 0.00 O ATOM 0 H GLY A 23 34.078 64.125 -40.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.721 63.148 -40.577 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.534 63.692 -42.233 1.00 0.00 H new ATOM 386 N ASP A 24 33.452 62.103 -43.195 1.00 0.00 N ATOM 387 CA ASP A 24 34.155 60.902 -43.704 1.00 0.00 C ATOM 388 C ASP A 24 35.153 60.475 -42.635 1.00 0.00 C ATOM 389 O ASP A 24 35.831 61.295 -42.058 1.00 0.00 O ATOM 390 CB ASP A 24 34.896 61.243 -44.997 1.00 0.00 C ATOM 391 CG ASP A 24 33.883 61.512 -46.110 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.081 62.418 -45.950 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.925 60.808 -47.106 1.00 0.00 O ATOM 0 H ASP A 24 33.404 62.891 -43.841 1.00 0.00 H new ATOM 0 HA ASP A 24 33.447 60.101 -43.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.528 62.118 -44.846 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.553 60.421 -45.280 1.00 0.00 H new ATOM 398 N GLU A 25 35.242 59.216 -42.340 1.00 0.00 N ATOM 399 CA GLU A 25 36.196 58.796 -41.283 1.00 0.00 C ATOM 400 C GLU A 25 37.559 58.512 -41.901 1.00 0.00 C ATOM 401 O GLU A 25 37.715 58.472 -43.105 1.00 0.00 O ATOM 402 CB GLU A 25 35.676 57.542 -40.578 1.00 0.00 C ATOM 403 CG GLU A 25 34.237 57.776 -40.116 1.00 0.00 C ATOM 404 CD GLU A 25 33.367 56.587 -40.530 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.333 55.617 -39.791 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.752 56.666 -41.580 1.00 0.00 O ATOM 0 H GLU A 25 34.705 58.467 -42.776 1.00 0.00 H new ATOM 0 HA GLU A 25 36.294 59.600 -40.553 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.718 56.688 -41.254 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.309 57.303 -39.724 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.207 57.902 -39.034 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.848 58.695 -40.555 1.00 0.00 H new ATOM 413 N TYR A 26 38.549 58.324 -41.080 1.00 0.00 N ATOM 414 CA TYR A 26 39.909 58.056 -41.607 1.00 0.00 C ATOM 415 C TYR A 26 40.487 56.812 -40.926 1.00 0.00 C ATOM 416 O TYR A 26 40.406 56.650 -39.722 1.00 0.00 O ATOM 417 CB TYR A 26 40.793 59.273 -41.331 1.00 0.00 C ATOM 418 CG TYR A 26 40.185 60.489 -41.993 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.952 60.994 -41.553 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.853 61.112 -43.050 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.396 62.120 -42.177 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.295 62.235 -43.671 1.00 0.00 C ATOM 423 CZ TYR A 26 39.067 62.736 -43.233 1.00 0.00 C ATOM 424 OH TYR A 26 38.515 63.840 -43.846 1.00 0.00 O ATOM 0 H TYR A 26 38.474 58.345 -40.063 1.00 0.00 H new ATOM 0 HA TYR A 26 39.867 57.876 -42.681 1.00 0.00 H new ATOM 0 HB2 TYR A 26 40.883 59.436 -40.257 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.799 59.101 -41.713 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.432 60.516 -40.735 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.803 60.726 -43.389 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.447 62.511 -41.839 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.814 62.714 -44.488 1.00 0.00 H new ATOM 0 HH TYR A 26 37.538 63.787 -43.798 1.00 0.00 H new ATOM 434 N PHE A 27 41.074 55.936 -41.695 1.00 0.00 N ATOM 435 CA PHE A 27 41.665 54.697 -41.119 1.00 0.00 C ATOM 436 C PHE A 27 43.164 54.905 -40.972 1.00 0.00 C ATOM 437 O PHE A 27 43.848 55.246 -41.915 1.00 0.00 O ATOM 438 CB PHE A 27 41.395 53.516 -42.052 1.00 0.00 C ATOM 439 CG PHE A 27 39.949 53.537 -42.485 1.00 0.00 C ATOM 440 CD1 PHE A 27 38.963 54.007 -41.609 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.593 53.087 -43.762 1.00 0.00 C ATOM 442 CE1 PHE A 27 37.623 54.028 -42.010 1.00 0.00 C ATOM 443 CE2 PHE A 27 38.252 53.107 -44.163 1.00 0.00 C ATOM 444 CZ PHE A 27 37.267 53.578 -43.286 1.00 0.00 C ATOM 0 H PHE A 27 41.170 56.028 -42.706 1.00 0.00 H new ATOM 0 HA PHE A 27 41.220 54.485 -40.147 1.00 0.00 H new ATOM 0 HB2 PHE A 27 42.047 53.571 -42.923 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.620 52.578 -41.544 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.237 54.353 -40.623 1.00 0.00 H new ATOM 0 HD2 PHE A 27 40.353 52.724 -44.438 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.863 54.392 -41.334 1.00 0.00 H new ATOM 0 HE2 PHE A 27 37.977 52.759 -45.148 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.232 53.594 -43.595 1.00 0.00 H new ATOM 454 N ILE A 28 43.675 54.724 -39.793 1.00 0.00 N ATOM 455 CA ILE A 28 45.125 54.946 -39.574 1.00 0.00 C ATOM 456 C ILE A 28 45.932 53.752 -40.048 1.00 0.00 C ATOM 457 O ILE A 28 45.986 52.712 -39.421 1.00 0.00 O ATOM 458 CB ILE A 28 45.358 55.214 -38.092 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.373 56.295 -37.635 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.790 55.700 -37.878 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.302 57.412 -38.689 1.00 0.00 C ATOM 0 H ILE A 28 43.150 54.431 -38.969 1.00 0.00 H new ATOM 0 HA ILE A 28 45.456 55.807 -40.154 1.00 0.00 H new ATOM 0 HB ILE A 28 45.205 54.301 -37.517 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.385 55.860 -37.485 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.689 56.706 -36.676 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.955 55.891 -36.818 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.488 54.937 -38.222 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.950 56.619 -38.442 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.600 58.179 -38.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.290 57.855 -38.817 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.965 56.996 -39.638 1.00 0.00 H new ATOM 473 N LEU A 29 46.570 53.922 -41.168 1.00 0.00 N ATOM 474 CA LEU A 29 47.403 52.845 -41.745 1.00 0.00 C ATOM 475 C LEU A 29 48.812 52.935 -41.146 1.00 0.00 C ATOM 476 O LEU A 29 49.741 52.303 -41.609 1.00 0.00 O ATOM 477 CB LEU A 29 47.451 53.046 -43.261 1.00 0.00 C ATOM 478 CG LEU A 29 48.303 54.268 -43.599 1.00 0.00 C ATOM 479 CD1 LEU A 29 49.506 53.838 -44.437 1.00 0.00 C ATOM 480 CD2 LEU A 29 47.457 55.265 -44.398 1.00 0.00 C ATOM 0 H LEU A 29 46.546 54.782 -41.717 1.00 0.00 H new ATOM 0 HA LEU A 29 46.989 51.862 -41.520 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.866 52.159 -43.741 1.00 0.00 H new ATOM 0 HB3 LEU A 29 46.442 53.177 -43.651 1.00 0.00 H new ATOM 0 HG LEU A 29 48.653 54.735 -42.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.113 54.711 -44.677 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.106 53.123 -43.873 1.00 0.00 H new ATOM 0 HD13 LEU A 29 49.159 53.372 -45.359 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.060 56.140 -44.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.112 54.794 -45.318 1.00 0.00 H new ATOM 0 HD23 LEU A 29 46.597 55.572 -43.803 1.00 0.00 H new ATOM 492 N GLU A 30 48.966 53.719 -40.108 1.00 0.00 N ATOM 493 CA GLU A 30 50.295 53.866 -39.454 1.00 0.00 C ATOM 494 C GLU A 30 50.150 54.845 -38.279 1.00 0.00 C ATOM 495 O GLU A 30 49.234 54.732 -37.491 1.00 0.00 O ATOM 496 CB GLU A 30 51.311 54.394 -40.469 1.00 0.00 C ATOM 497 CG GLU A 30 52.719 53.956 -40.057 1.00 0.00 C ATOM 498 CD GLU A 30 53.636 55.178 -39.986 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.140 56.247 -39.674 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.818 55.023 -40.243 1.00 0.00 O ATOM 0 H GLU A 30 48.218 54.267 -39.684 1.00 0.00 H new ATOM 0 HA GLU A 30 50.647 52.903 -39.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.077 54.015 -41.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.258 55.481 -40.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.687 53.456 -39.089 1.00 0.00 H new ATOM 0 HG3 GLU A 30 53.111 53.236 -40.775 1.00 0.00 H new ATOM 507 N GLU A 31 51.027 55.808 -38.149 1.00 0.00 N ATOM 508 CA GLU A 31 50.899 56.776 -37.020 1.00 0.00 C ATOM 509 C GLU A 31 52.210 57.546 -36.849 1.00 0.00 C ATOM 510 O GLU A 31 53.186 57.287 -37.525 1.00 0.00 O ATOM 511 CB GLU A 31 50.583 56.017 -35.730 1.00 0.00 C ATOM 512 CG GLU A 31 51.337 54.686 -35.720 1.00 0.00 C ATOM 513 CD GLU A 31 51.626 54.274 -34.274 1.00 0.00 C ATOM 514 OE1 GLU A 31 50.784 53.613 -33.689 1.00 0.00 O ATOM 515 OE2 GLU A 31 52.683 54.626 -33.778 1.00 0.00 O ATOM 0 H GLU A 31 51.820 55.965 -38.771 1.00 0.00 H new ATOM 0 HA GLU A 31 50.094 57.478 -37.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.869 56.615 -34.865 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.510 55.839 -35.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.746 53.917 -36.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.270 54.780 -36.276 1.00 0.00 H new ATOM 522 N SER A 32 52.238 58.490 -35.950 1.00 0.00 N ATOM 523 CA SER A 32 53.484 59.278 -35.732 1.00 0.00 C ATOM 524 C SER A 32 53.290 60.222 -34.543 1.00 0.00 C ATOM 525 O SER A 32 52.199 60.687 -34.278 1.00 0.00 O ATOM 526 CB SER A 32 53.797 60.094 -36.986 1.00 0.00 C ATOM 527 OG SER A 32 55.051 59.681 -37.513 1.00 0.00 O ATOM 0 H SER A 32 51.451 58.750 -35.356 1.00 0.00 H new ATOM 0 HA SER A 32 54.311 58.599 -35.525 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.013 59.954 -37.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.823 61.157 -36.746 1.00 0.00 H new ATOM 0 HG SER A 32 55.005 58.735 -37.764 1.00 0.00 H new ATOM 533 N ASN A 33 54.341 60.509 -33.823 1.00 0.00 N ATOM 534 CA ASN A 33 54.218 61.421 -32.649 1.00 0.00 C ATOM 535 C ASN A 33 53.420 62.666 -33.046 1.00 0.00 C ATOM 536 O ASN A 33 52.522 63.088 -32.346 1.00 0.00 O ATOM 537 CB ASN A 33 55.614 61.838 -32.182 1.00 0.00 C ATOM 538 CG ASN A 33 55.894 61.231 -30.805 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.496 61.776 -29.796 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.569 60.117 -30.723 1.00 0.00 N ATOM 0 H ASN A 33 55.280 60.151 -33.997 1.00 0.00 H new ATOM 0 HA ASN A 33 53.701 60.904 -31.841 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.364 61.503 -32.898 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.683 62.925 -32.133 1.00 0.00 H new ATOM 0 HD21 ASN A 33 56.762 59.704 -29.811 1.00 0.00 H new ATOM 0 HD22 ASN A 33 56.903 59.660 -31.571 1.00 0.00 H new ATOM 547 N LEU A 34 53.742 63.257 -34.164 1.00 0.00 N ATOM 548 CA LEU A 34 53.004 64.474 -34.604 1.00 0.00 C ATOM 549 C LEU A 34 51.499 64.250 -34.431 1.00 0.00 C ATOM 550 O LEU A 34 51.064 63.147 -34.165 1.00 0.00 O ATOM 551 CB LEU A 34 53.312 64.746 -36.078 1.00 0.00 C ATOM 552 CG LEU A 34 54.332 65.881 -36.185 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.713 65.299 -36.494 1.00 0.00 C ATOM 554 CD2 LEU A 34 53.919 66.830 -37.312 1.00 0.00 C ATOM 0 H LEU A 34 54.485 62.949 -34.792 1.00 0.00 H new ATOM 0 HA LEU A 34 53.315 65.327 -34.001 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.703 63.845 -36.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.398 65.013 -36.608 1.00 0.00 H new ATOM 0 HG LEU A 34 54.369 66.426 -35.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.440 66.108 -36.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 56.009 64.620 -35.695 1.00 0.00 H new ATOM 0 HD13 LEU A 34 55.676 64.755 -37.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 54.645 67.640 -37.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.883 66.283 -38.254 1.00 0.00 H new ATOM 0 HD23 LEU A 34 52.934 67.245 -37.096 1.00 0.00 H new ATOM 566 N PRO A 35 50.746 65.309 -34.593 1.00 0.00 N ATOM 567 CA PRO A 35 49.280 65.264 -34.466 1.00 0.00 C ATOM 568 C PRO A 35 48.664 64.631 -35.714 1.00 0.00 C ATOM 569 O PRO A 35 47.584 64.076 -35.674 1.00 0.00 O ATOM 570 CB PRO A 35 48.883 66.738 -34.341 1.00 0.00 C ATOM 571 CG PRO A 35 50.043 67.555 -34.954 1.00 0.00 C ATOM 572 CD PRO A 35 51.286 66.645 -34.922 1.00 0.00 C ATOM 0 HA PRO A 35 48.936 64.668 -33.621 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.949 66.935 -34.867 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.725 67.011 -33.298 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.808 67.855 -35.975 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.217 68.469 -34.385 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.802 66.641 -35.882 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.006 66.979 -34.175 1.00 0.00 H new ATOM 579 N TRP A 36 49.351 64.700 -36.822 1.00 0.00 N ATOM 580 CA TRP A 36 48.812 64.091 -38.070 1.00 0.00 C ATOM 581 C TRP A 36 49.358 62.669 -38.196 1.00 0.00 C ATOM 582 O TRP A 36 50.528 62.428 -37.971 1.00 0.00 O ATOM 583 CB TRP A 36 49.251 64.913 -39.289 1.00 0.00 C ATOM 584 CG TRP A 36 49.516 66.330 -38.886 1.00 0.00 C ATOM 585 CD1 TRP A 36 48.641 67.129 -38.232 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.717 67.127 -39.098 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.229 68.364 -38.029 1.00 0.00 N ATOM 588 CE2 TRP A 36 50.509 68.413 -38.545 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.955 66.861 -39.711 1.00 0.00 C ATOM 590 CZ2 TRP A 36 51.494 69.399 -38.597 1.00 0.00 C ATOM 591 CZ3 TRP A 36 52.949 67.854 -39.765 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.718 69.120 -39.209 1.00 0.00 C ATOM 0 H TRP A 36 50.261 65.151 -36.916 1.00 0.00 H new ATOM 0 HA TRP A 36 47.723 64.076 -38.028 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.149 64.477 -39.727 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.476 64.884 -40.055 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.646 66.848 -37.920 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.773 69.144 -37.556 1.00 0.00 H new ATOM 0 HE3 TRP A 36 52.143 65.889 -40.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 51.311 70.373 -38.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 53.896 67.640 -40.238 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.485 69.879 -39.254 1.00 0.00 H new ATOM 603 N TRP A 37 48.535 61.721 -38.553 1.00 0.00 N ATOM 604 CA TRP A 37 49.041 60.325 -38.684 1.00 0.00 C ATOM 605 C TRP A 37 49.026 59.924 -40.156 1.00 0.00 C ATOM 606 O TRP A 37 48.932 60.758 -41.029 1.00 0.00 O ATOM 607 CB TRP A 37 48.156 59.371 -37.876 1.00 0.00 C ATOM 608 CG TRP A 37 48.274 59.689 -36.418 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.127 60.593 -35.883 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.533 59.118 -35.303 1.00 0.00 C ATOM 611 NE1 TRP A 37 48.953 60.615 -34.511 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.981 59.723 -34.105 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.524 58.143 -35.216 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.446 59.372 -32.865 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.983 57.787 -33.969 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.444 58.401 -32.796 1.00 0.00 C ATOM 0 H TRP A 37 47.544 61.850 -38.758 1.00 0.00 H new ATOM 0 HA TRP A 37 50.060 60.269 -38.300 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.118 59.463 -38.196 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.455 58.339 -38.059 1.00 0.00 H new ATOM 0 HD1 TRP A 37 49.829 61.199 -36.437 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.479 61.217 -33.877 1.00 0.00 H new ATOM 0 HE3 TRP A 37 46.162 57.664 -36.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.804 59.848 -31.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 45.208 57.037 -33.914 1.00 0.00 H new ATOM 0 HH2 TRP A 37 46.025 58.124 -31.840 1.00 0.00 H new ATOM 627 N ARG A 38 49.105 58.655 -40.437 1.00 0.00 N ATOM 628 CA ARG A 38 49.085 58.204 -41.852 1.00 0.00 C ATOM 629 C ARG A 38 47.829 57.375 -42.059 1.00 0.00 C ATOM 630 O ARG A 38 47.725 56.256 -41.597 1.00 0.00 O ATOM 631 CB ARG A 38 50.322 57.351 -42.145 1.00 0.00 C ATOM 632 CG ARG A 38 51.559 58.019 -41.543 1.00 0.00 C ATOM 633 CD ARG A 38 52.809 57.549 -42.288 1.00 0.00 C ATOM 634 NE ARG A 38 54.002 57.711 -41.410 1.00 0.00 N ATOM 635 CZ ARG A 38 55.164 57.993 -41.931 1.00 0.00 C ATOM 636 NH1 ARG A 38 55.621 59.214 -41.884 1.00 0.00 N ATOM 637 NH2 ARG A 38 55.871 57.053 -42.499 1.00 0.00 N ATOM 0 H ARG A 38 49.183 57.910 -39.745 1.00 0.00 H new ATOM 0 HA ARG A 38 49.091 59.063 -42.523 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.195 56.353 -41.727 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.448 57.232 -43.221 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.469 59.103 -41.611 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.640 57.772 -40.484 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.699 56.505 -42.581 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.938 58.126 -43.204 1.00 0.00 H new ATOM 0 HE ARG A 38 53.910 57.601 -40.400 1.00 0.00 H new ATOM 0 HH11 ARG A 38 55.070 59.948 -41.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 56.530 59.434 -42.291 1.00 0.00 H new ATOM 0 HH21 ARG A 38 55.514 56.098 -42.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 56.780 57.274 -42.906 1.00 0.00 H new ATOM 651 N ALA A 39 46.859 57.926 -42.716 1.00 0.00 N ATOM 652 CA ALA A 39 45.593 57.184 -42.917 1.00 0.00 C ATOM 653 C ALA A 39 45.037 57.474 -44.308 1.00 0.00 C ATOM 654 O ALA A 39 45.476 58.376 -44.991 1.00 0.00 O ATOM 655 CB ALA A 39 44.588 57.681 -41.874 1.00 0.00 C ATOM 0 H ALA A 39 46.887 58.860 -43.124 1.00 0.00 H new ATOM 0 HA ALA A 39 45.768 56.113 -42.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.643 57.151 -41.998 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.980 57.496 -40.874 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.424 58.750 -42.007 1.00 0.00 H new ATOM 661 N ARG A 40 44.050 56.730 -44.715 1.00 0.00 N ATOM 662 CA ARG A 40 43.422 56.972 -46.041 1.00 0.00 C ATOM 663 C ARG A 40 41.997 57.462 -45.794 1.00 0.00 C ATOM 664 O ARG A 40 41.108 56.688 -45.494 1.00 0.00 O ATOM 665 CB ARG A 40 43.393 55.672 -46.849 1.00 0.00 C ATOM 666 CG ARG A 40 42.527 55.863 -48.095 1.00 0.00 C ATOM 667 CD ARG A 40 42.276 54.507 -48.758 1.00 0.00 C ATOM 668 NE ARG A 40 41.011 53.922 -48.232 1.00 0.00 N ATOM 669 CZ ARG A 40 40.368 53.024 -48.927 1.00 0.00 C ATOM 670 NH1 ARG A 40 40.977 52.382 -49.886 1.00 0.00 N ATOM 671 NH2 ARG A 40 39.116 52.769 -48.663 1.00 0.00 N ATOM 0 H ARG A 40 43.648 55.959 -44.182 1.00 0.00 H new ATOM 0 HA ARG A 40 43.990 57.713 -46.604 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.405 55.388 -47.137 1.00 0.00 H new ATOM 0 HB3 ARG A 40 42.996 54.861 -46.238 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.579 56.328 -47.824 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.023 56.535 -48.795 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.212 54.626 -49.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.110 53.834 -48.560 1.00 0.00 H new ATOM 0 HE ARG A 40 40.647 54.224 -47.328 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.956 52.582 -50.092 1.00 0.00 H new ATOM 0 HH12 ARG A 40 40.474 51.680 -50.429 1.00 0.00 H new ATOM 0 HH21 ARG A 40 38.640 53.271 -47.914 1.00 0.00 H new ATOM 0 HH22 ARG A 40 38.613 52.067 -49.206 1.00 0.00 H new ATOM 685 N ASP A 41 41.774 58.742 -45.892 1.00 0.00 N ATOM 686 CA ASP A 41 40.408 59.277 -45.633 1.00 0.00 C ATOM 687 C ASP A 41 39.374 58.458 -46.402 1.00 0.00 C ATOM 688 O ASP A 41 39.705 57.551 -47.142 1.00 0.00 O ATOM 689 CB ASP A 41 40.331 60.736 -46.075 1.00 0.00 C ATOM 690 CG ASP A 41 40.462 60.820 -47.597 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.670 59.786 -48.213 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.351 61.916 -48.121 1.00 0.00 O ATOM 0 H ASP A 41 42.476 59.440 -46.139 1.00 0.00 H new ATOM 0 HA ASP A 41 40.199 59.210 -44.565 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.385 61.173 -45.757 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.124 61.313 -45.599 1.00 0.00 H new ATOM 697 N LYS A 42 38.122 58.774 -46.234 1.00 0.00 N ATOM 698 CA LYS A 42 37.059 58.019 -46.952 1.00 0.00 C ATOM 699 C LYS A 42 37.078 58.397 -48.433 1.00 0.00 C ATOM 700 O LYS A 42 36.398 57.803 -49.244 1.00 0.00 O ATOM 701 CB LYS A 42 35.693 58.360 -46.357 1.00 0.00 C ATOM 702 CG LYS A 42 34.694 57.256 -46.706 1.00 0.00 C ATOM 703 CD LYS A 42 33.270 57.781 -46.522 1.00 0.00 C ATOM 704 CE LYS A 42 32.396 57.308 -47.686 1.00 0.00 C ATOM 705 NZ LYS A 42 30.960 57.401 -47.300 1.00 0.00 N ATOM 0 H LYS A 42 37.788 59.524 -45.629 1.00 0.00 H new ATOM 0 HA LYS A 42 37.242 56.950 -46.846 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.772 58.465 -45.275 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.344 59.317 -46.745 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.842 56.929 -47.735 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.858 56.387 -46.068 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.859 57.425 -45.577 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.276 58.870 -46.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.586 57.918 -48.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.647 56.280 -47.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.366 57.080 -48.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 30.784 56.801 -46.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.726 58.388 -47.070 1.00 0.00 H new ATOM 719 N ASN A 43 37.858 59.380 -48.793 1.00 0.00 N ATOM 720 CA ASN A 43 37.926 59.789 -50.222 1.00 0.00 C ATOM 721 C ASN A 43 38.856 58.834 -50.974 1.00 0.00 C ATOM 722 O ASN A 43 39.160 59.035 -52.133 1.00 0.00 O ATOM 723 CB ASN A 43 38.471 61.216 -50.321 1.00 0.00 C ATOM 724 CG ASN A 43 37.738 61.966 -51.435 1.00 0.00 C ATOM 725 OD1 ASN A 43 37.044 61.367 -52.232 1.00 0.00 O ATOM 726 ND2 ASN A 43 37.865 63.263 -51.524 1.00 0.00 N ATOM 0 H ASN A 43 38.450 59.916 -48.159 1.00 0.00 H new ATOM 0 HA ASN A 43 36.929 59.753 -50.661 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.339 61.734 -49.371 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.541 61.194 -50.526 1.00 0.00 H new ATOM 0 HD21 ASN A 43 37.381 63.773 -52.263 1.00 0.00 H new ATOM 0 HD22 ASN A 43 38.448 63.765 -50.855 1.00 0.00 H new ATOM 733 N GLY A 44 39.312 57.797 -50.323 1.00 0.00 N ATOM 734 CA GLY A 44 40.221 56.836 -51.002 1.00 0.00 C ATOM 735 C GLY A 44 41.558 57.517 -51.280 1.00 0.00 C ATOM 736 O GLY A 44 42.123 57.384 -52.348 1.00 0.00 O ATOM 0 H GLY A 44 39.093 57.576 -49.352 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.371 55.956 -50.377 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.774 56.492 -51.935 1.00 0.00 H new ATOM 740 N GLN A 45 42.074 58.248 -50.329 1.00 0.00 N ATOM 741 CA GLN A 45 43.370 58.933 -50.544 1.00 0.00 C ATOM 742 C GLN A 45 44.225 58.778 -49.291 1.00 0.00 C ATOM 743 O GLN A 45 43.856 59.220 -48.220 1.00 0.00 O ATOM 744 CB GLN A 45 43.122 60.418 -50.815 1.00 0.00 C ATOM 745 CG GLN A 45 44.042 60.893 -51.941 1.00 0.00 C ATOM 746 CD GLN A 45 43.285 60.858 -53.270 1.00 0.00 C ATOM 747 OE1 GLN A 45 43.297 61.910 -54.041 1.00 0.00 O flip ATOM 748 NE2 GLN A 45 42.678 59.861 -53.609 1.00 0.00 N flip ATOM 0 H GLN A 45 41.650 58.397 -49.414 1.00 0.00 H new ATOM 0 HA GLN A 45 43.885 58.493 -51.398 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.080 60.579 -51.091 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.306 60.999 -49.911 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.392 61.905 -51.736 1.00 0.00 H new ATOM 0 HG3 GLN A 45 44.925 60.256 -51.997 1.00 0.00 H new ATOM 0 HE21 GLN A 45 42.670 59.039 -53.005 1.00 0.00 H new ATOM 0 HE22 GLN A 45 42.177 59.846 -54.497 1.00 0.00 H new ATOM 757 N GLU A 46 45.363 58.155 -49.418 1.00 0.00 N ATOM 758 CA GLU A 46 46.249 57.977 -48.238 1.00 0.00 C ATOM 759 C GLU A 46 47.012 59.279 -48.010 1.00 0.00 C ATOM 760 O GLU A 46 47.562 59.853 -48.928 1.00 0.00 O ATOM 761 CB GLU A 46 47.231 56.837 -48.508 1.00 0.00 C ATOM 762 CG GLU A 46 46.485 55.679 -49.176 1.00 0.00 C ATOM 763 CD GLU A 46 47.401 54.457 -49.251 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.537 54.566 -48.820 1.00 0.00 O ATOM 765 OE2 GLU A 46 46.951 53.432 -49.736 1.00 0.00 O ATOM 0 H GLU A 46 45.717 57.761 -50.290 1.00 0.00 H new ATOM 0 HA GLU A 46 45.661 57.732 -47.354 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.041 57.183 -49.151 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.685 56.503 -47.575 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.585 55.438 -48.610 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.164 55.968 -50.177 1.00 0.00 H new ATOM 772 N GLY A 47 47.039 59.765 -46.801 1.00 0.00 N ATOM 773 CA GLY A 47 47.756 61.041 -46.551 1.00 0.00 C ATOM 774 C GLY A 47 47.929 61.267 -45.053 1.00 0.00 C ATOM 775 O GLY A 47 47.720 60.383 -44.247 1.00 0.00 O ATOM 0 H GLY A 47 46.600 59.338 -45.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.731 61.019 -47.037 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.200 61.870 -46.989 1.00 0.00 H new ATOM 779 N TYR A 48 48.309 62.457 -44.680 1.00 0.00 N ATOM 780 CA TYR A 48 48.497 62.763 -43.238 1.00 0.00 C ATOM 781 C TYR A 48 47.233 63.433 -42.696 1.00 0.00 C ATOM 782 O TYR A 48 46.876 64.523 -43.096 1.00 0.00 O ATOM 783 CB TYR A 48 49.691 63.705 -43.068 1.00 0.00 C ATOM 784 CG TYR A 48 50.955 62.993 -43.488 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.156 61.653 -43.137 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.927 63.676 -44.231 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.328 60.995 -43.528 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.099 63.018 -44.621 1.00 0.00 C ATOM 789 CZ TYR A 48 53.299 61.677 -44.270 1.00 0.00 C ATOM 790 OH TYR A 48 54.454 61.028 -44.656 1.00 0.00 O ATOM 0 H TYR A 48 48.498 63.232 -45.315 1.00 0.00 H new ATOM 0 HA TYR A 48 48.685 61.841 -42.688 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.549 64.603 -43.670 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.770 64.027 -42.030 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.407 61.127 -42.564 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.772 64.710 -44.503 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.483 59.961 -43.257 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.849 63.544 -45.193 1.00 0.00 H new ATOM 0 HH TYR A 48 55.021 61.644 -45.165 1.00 0.00 H new ATOM 800 N ILE A 49 46.542 62.794 -41.796 1.00 0.00 N ATOM 801 CA ILE A 49 45.297 63.415 -41.258 1.00 0.00 C ATOM 802 C ILE A 49 45.550 63.908 -39.827 1.00 0.00 C ATOM 803 O ILE A 49 46.147 63.208 -39.036 1.00 0.00 O ATOM 804 CB ILE A 49 44.144 62.404 -41.245 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.681 60.975 -41.370 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.190 62.693 -42.406 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.239 60.766 -42.776 1.00 0.00 C ATOM 0 H ILE A 49 46.779 61.879 -41.412 1.00 0.00 H new ATOM 0 HA ILE A 49 45.023 64.251 -41.901 1.00 0.00 H new ATOM 0 HB ILE A 49 43.610 62.499 -40.299 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.460 60.801 -40.628 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.885 60.257 -41.172 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.372 61.972 -42.393 1.00 0.00 H new ATOM 0 HG22 ILE A 49 42.787 63.701 -42.304 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.730 62.612 -43.349 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.622 59.750 -42.868 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.447 60.923 -43.509 1.00 0.00 H new ATOM 0 HD13 ILE A 49 46.046 61.476 -42.956 1.00 0.00 H new ATOM 819 N PRO A 50 45.090 65.103 -39.540 1.00 0.00 N ATOM 820 CA PRO A 50 45.257 65.722 -38.210 1.00 0.00 C ATOM 821 C PRO A 50 44.259 65.142 -37.204 1.00 0.00 C ATOM 822 O PRO A 50 43.160 64.761 -37.552 1.00 0.00 O ATOM 823 CB PRO A 50 44.970 67.204 -38.466 1.00 0.00 C ATOM 824 CG PRO A 50 44.118 67.267 -39.756 1.00 0.00 C ATOM 825 CD PRO A 50 44.360 65.945 -40.510 1.00 0.00 C ATOM 0 HA PRO A 50 46.245 65.546 -37.784 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.436 67.647 -37.626 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.897 67.764 -38.585 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.062 67.389 -39.517 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.406 68.121 -40.369 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.421 65.481 -40.812 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.943 66.105 -41.417 1.00 0.00 H new ATOM 832 N SER A 51 44.638 65.076 -35.955 1.00 0.00 N ATOM 833 CA SER A 51 43.717 64.526 -34.923 1.00 0.00 C ATOM 834 C SER A 51 43.136 65.672 -34.092 1.00 0.00 C ATOM 835 O SER A 51 42.164 65.507 -33.383 1.00 0.00 O ATOM 836 CB SER A 51 44.486 63.575 -34.007 1.00 0.00 C ATOM 837 OG SER A 51 44.987 62.488 -34.773 1.00 0.00 O ATOM 0 H SER A 51 45.547 65.380 -35.607 1.00 0.00 H new ATOM 0 HA SER A 51 42.907 63.985 -35.413 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.308 64.103 -33.523 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.833 63.207 -33.215 1.00 0.00 H new ATOM 0 HG SER A 51 45.847 62.737 -35.171 1.00 0.00 H new ATOM 843 N ASN A 52 43.726 66.833 -34.174 1.00 0.00 N ATOM 844 CA ASN A 52 43.210 67.988 -33.388 1.00 0.00 C ATOM 845 C ASN A 52 41.877 68.456 -33.978 1.00 0.00 C ATOM 846 O ASN A 52 41.185 69.270 -33.402 1.00 0.00 O ATOM 847 CB ASN A 52 44.222 69.135 -33.444 1.00 0.00 C ATOM 848 CG ASN A 52 44.688 69.332 -34.888 1.00 0.00 C ATOM 849 OD1 ASN A 52 43.881 69.481 -35.785 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.966 69.340 -35.152 1.00 0.00 N ATOM 0 H ASN A 52 44.543 67.031 -34.751 1.00 0.00 H new ATOM 0 HA ASN A 52 43.061 67.683 -32.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.769 70.053 -33.068 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.075 68.914 -32.802 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.288 69.471 -36.111 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.643 69.215 -34.399 1.00 0.00 H new ATOM 857 N TYR A 53 41.514 67.949 -35.124 1.00 0.00 N ATOM 858 CA TYR A 53 40.227 68.371 -35.749 1.00 0.00 C ATOM 859 C TYR A 53 39.494 67.142 -36.289 1.00 0.00 C ATOM 860 O TYR A 53 39.135 67.082 -37.447 1.00 0.00 O ATOM 861 CB TYR A 53 40.516 69.339 -36.899 1.00 0.00 C ATOM 862 CG TYR A 53 41.128 70.604 -36.348 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.633 71.164 -35.164 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.191 71.218 -37.021 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.200 72.338 -34.653 1.00 0.00 C ATOM 866 CE2 TYR A 53 42.758 72.392 -36.511 1.00 0.00 C ATOM 867 CZ TYR A 53 42.263 72.952 -35.327 1.00 0.00 C ATOM 868 OH TYR A 53 42.821 74.109 -34.824 1.00 0.00 O ATOM 0 H TYR A 53 42.051 67.263 -35.654 1.00 0.00 H new ATOM 0 HA TYR A 53 39.604 68.865 -35.003 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.194 68.877 -37.616 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.595 69.571 -37.434 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.813 70.690 -34.644 1.00 0.00 H new ATOM 0 HD2 TYR A 53 42.574 70.786 -37.934 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.818 72.770 -33.740 1.00 0.00 H new ATOM 0 HE2 TYR A 53 43.577 72.866 -37.031 1.00 0.00 H new ATOM 0 HH TYR A 53 43.548 74.404 -35.411 1.00 0.00 H new ATOM 878 N VAL A 54 39.279 66.157 -35.459 1.00 0.00 N ATOM 879 CA VAL A 54 38.582 64.923 -35.924 1.00 0.00 C ATOM 880 C VAL A 54 37.933 64.217 -34.742 1.00 0.00 C ATOM 881 O VAL A 54 37.499 64.831 -33.788 1.00 0.00 O ATOM 882 CB VAL A 54 39.602 63.999 -36.583 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.473 64.804 -37.543 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.468 63.364 -35.502 1.00 0.00 C ATOM 0 H VAL A 54 39.556 66.154 -34.477 1.00 0.00 H new ATOM 0 HA VAL A 54 37.806 65.188 -36.642 1.00 0.00 H new ATOM 0 HB VAL A 54 39.088 63.217 -37.142 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.202 64.144 -38.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.846 65.258 -38.310 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.995 65.586 -36.992 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.200 62.702 -35.964 1.00 0.00 H new ATOM 0 HG22 VAL A 54 40.986 64.145 -34.945 1.00 0.00 H new ATOM 0 HG23 VAL A 54 39.838 62.790 -34.822 1.00 0.00 H new ATOM 894 N THR A 55 37.838 62.929 -34.824 1.00 0.00 N ATOM 895 CA THR A 55 37.193 62.154 -33.750 1.00 0.00 C ATOM 896 C THR A 55 37.700 60.702 -33.837 1.00 0.00 C ATOM 897 O THR A 55 38.559 60.397 -34.637 1.00 0.00 O ATOM 898 CB THR A 55 35.676 62.289 -33.957 1.00 0.00 C ATOM 899 OG1 THR A 55 35.204 63.387 -33.191 1.00 0.00 O ATOM 900 CG2 THR A 55 34.909 61.032 -33.541 1.00 0.00 C ATOM 0 H THR A 55 38.187 62.373 -35.605 1.00 0.00 H new ATOM 0 HA THR A 55 37.432 62.512 -32.749 1.00 0.00 H new ATOM 0 HB THR A 55 35.503 62.442 -35.022 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.884 64.093 -33.178 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.843 61.184 -33.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.252 60.184 -34.133 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.085 60.832 -32.484 1.00 0.00 H new ATOM 908 N GLU A 56 37.215 59.820 -33.012 1.00 0.00 N ATOM 909 CA GLU A 56 37.707 58.412 -33.040 1.00 0.00 C ATOM 910 C GLU A 56 39.229 58.411 -32.838 1.00 0.00 C ATOM 911 O GLU A 56 39.732 59.057 -31.939 1.00 0.00 O ATOM 912 CB GLU A 56 37.316 57.744 -34.357 1.00 0.00 C ATOM 913 CG GLU A 56 35.816 57.436 -34.347 1.00 0.00 C ATOM 914 CD GLU A 56 35.458 56.602 -35.578 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.424 57.164 -36.661 1.00 0.00 O ATOM 916 OE2 GLU A 56 35.223 55.415 -35.419 1.00 0.00 O ATOM 0 H GLU A 56 36.495 60.012 -32.315 1.00 0.00 H new ATOM 0 HA GLU A 56 37.248 57.839 -32.234 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.558 58.398 -35.195 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.886 56.825 -34.494 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.551 56.895 -33.439 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.244 58.364 -34.344 1.00 0.00 H new ATOM 923 N ALA A 57 39.977 57.701 -33.640 1.00 0.00 N ATOM 924 CA ALA A 57 41.455 57.690 -33.444 1.00 0.00 C ATOM 925 C ALA A 57 41.963 59.130 -33.329 1.00 0.00 C ATOM 926 O ALA A 57 41.293 60.067 -33.713 1.00 0.00 O ATOM 927 CB ALA A 57 42.125 56.998 -34.633 1.00 0.00 C ATOM 0 H ALA A 57 39.633 57.134 -34.415 1.00 0.00 H new ATOM 0 HA ALA A 57 41.698 57.147 -32.531 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.205 56.991 -34.488 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.762 55.973 -34.709 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.885 57.537 -35.550 1.00 0.00 H new ATOM 933 N GLU A 58 43.143 59.315 -32.802 1.00 0.00 N ATOM 934 CA GLU A 58 43.689 60.696 -32.662 1.00 0.00 C ATOM 935 C GLU A 58 45.013 60.646 -31.899 1.00 0.00 C ATOM 936 O GLU A 58 45.910 61.390 -32.259 1.00 0.00 O ATOM 937 CB GLU A 58 42.690 61.563 -31.892 1.00 0.00 C ATOM 938 CG GLU A 58 42.241 60.825 -30.629 1.00 0.00 C ATOM 939 CD GLU A 58 41.287 61.713 -29.829 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.726 62.753 -29.364 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.134 61.339 -29.696 1.00 0.00 O ATOM 942 OXT GLU A 58 45.108 59.865 -30.967 1.00 0.00 O ATOM 0 H GLU A 58 43.752 58.571 -32.463 1.00 0.00 H new ATOM 0 HA GLU A 58 43.855 61.123 -33.651 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.148 62.515 -31.626 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.828 61.788 -32.520 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.746 59.891 -30.897 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.107 60.564 -30.021 1.00 0.00 H new TER 949 GLU A 58