USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= 0.642 K(o=0.15,f=-1.2!) USER MOD Set 1.2: A 6 HIS : no HE2:sc= -1.79 K(o=0.15,f=-2.4) USER MOD Set 1.3: A 13 THR OG1 : rot 70:sc= 1.29 USER MOD Single : A 1 ARG N :NH3+ -156:sc= 3.12 (180deg=2.21) USER MOD Single : A 4 TYR OH : rot 31:sc= 0.7 USER MOD Single : A 9 THR OG1 : rot 78:sc= 0.538 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 18 GLN : amide:sc= -0.994 K(o=-0.99,f=-1.7) USER MOD Single : A 21 SER OG : rot -76:sc= 1.09 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -1.41! (180deg=-2.22!) USER MOD Single : A 25 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot -84:sc= 2.25 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00228 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -1.71! (180deg=-6.73!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.573 25.182 67.704 1.00 0.00 N ATOM 2 CA ARG A 1 40.188 24.921 67.087 1.00 0.00 C ATOM 3 C ARG A 1 40.259 25.214 65.547 1.00 0.00 C ATOM 4 O ARG A 1 41.280 25.712 65.077 1.00 0.00 O ATOM 5 CB ARG A 1 39.108 25.781 67.793 1.00 0.00 C ATOM 6 CG ARG A 1 37.700 25.148 67.919 1.00 0.00 C ATOM 7 CD ARG A 1 37.611 23.918 68.848 1.00 0.00 C ATOM 8 NE ARG A 1 38.020 24.135 70.268 1.00 0.00 N ATOM 9 CZ ARG A 1 37.485 25.007 71.110 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.294 25.507 70.924 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.177 25.357 72.157 1.00 0.00 N ATOM 0 H1 ARG A 1 41.671 24.633 68.582 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.312 24.894 67.032 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.673 26.195 67.916 1.00 0.00 H new ATOM 0 HA ARG A 1 39.903 23.879 67.230 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.465 26.024 68.794 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.013 26.722 67.252 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.009 25.908 68.283 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.360 24.858 66.925 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.583 23.555 68.839 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.232 23.126 68.429 1.00 0.00 H new ATOM 0 HE ARG A 1 38.783 23.558 70.623 1.00 0.00 H new ATOM 0 HH11 ARG A 1 35.745 25.228 70.111 1.00 0.00 H new ATOM 0 HH12 ARG A 1 35.912 26.176 71.592 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.105 24.962 72.311 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.791 26.026 72.823 1.00 0.00 H new ATOM 27 N ILE A 2 39.164 24.870 64.756 1.00 0.00 N ATOM 28 CA ILE A 2 39.197 25.017 63.278 1.00 0.00 C ATOM 29 C ILE A 2 38.511 26.371 62.883 1.00 0.00 C ATOM 30 O ILE A 2 37.332 26.602 63.160 1.00 0.00 O ATOM 31 CB ILE A 2 38.497 23.891 62.462 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.984 22.470 62.833 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.604 24.129 60.931 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.044 21.328 62.417 1.00 0.00 C ATOM 0 H ILE A 2 38.287 24.503 65.125 1.00 0.00 H new ATOM 0 HA ILE A 2 40.256 24.969 63.023 1.00 0.00 H new ATOM 0 HB ILE A 2 37.445 23.944 62.742 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.957 22.305 62.371 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.131 22.424 63.912 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.102 23.319 60.401 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.131 25.077 60.676 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.654 24.157 60.640 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.474 20.374 62.721 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.075 21.460 62.899 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.915 21.339 61.335 1.00 0.00 H new ATOM 46 N CYS A 3 39.273 27.289 62.173 1.00 0.00 N ATOM 47 CA CYS A 3 38.650 28.493 61.615 1.00 0.00 C ATOM 48 C CYS A 3 39.201 28.715 60.165 1.00 0.00 C ATOM 49 O CYS A 3 40.308 28.317 59.804 1.00 0.00 O ATOM 50 CB CYS A 3 38.745 29.772 62.478 1.00 0.00 C ATOM 51 SG CYS A 3 38.451 29.328 64.229 1.00 0.00 S ATOM 0 H CYS A 3 40.273 27.198 61.996 1.00 0.00 H new ATOM 0 HA CYS A 3 37.577 28.304 61.598 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.727 30.231 62.365 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.010 30.506 62.147 1.00 0.00 H new ATOM 56 N TYR A 4 38.339 29.357 59.296 1.00 0.00 N ATOM 57 CA TYR A 4 38.643 29.474 57.873 1.00 0.00 C ATOM 58 C TYR A 4 39.871 30.400 57.612 1.00 0.00 C ATOM 59 O TYR A 4 40.111 31.349 58.355 1.00 0.00 O ATOM 60 CB TYR A 4 37.462 30.149 57.132 1.00 0.00 C ATOM 61 CG TYR A 4 36.080 29.684 57.546 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.484 30.158 58.715 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.342 28.802 56.766 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.223 29.753 59.120 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.073 28.398 57.143 1.00 0.00 C ATOM 66 CZ TYR A 4 33.481 28.880 58.320 1.00 0.00 C ATOM 67 OH TYR A 4 32.214 28.470 58.617 1.00 0.00 O ATOM 0 H TYR A 4 37.456 29.782 59.577 1.00 0.00 H new ATOM 0 HA TYR A 4 38.839 28.461 57.522 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.526 31.226 57.288 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.580 29.975 56.063 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.025 30.866 59.326 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.767 28.424 55.848 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.814 30.111 60.053 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.530 27.701 56.522 1.00 0.00 H new ATOM 0 HH TYR A 4 31.747 29.179 59.106 1.00 0.00 H new ATOM 77 N ASN A 5 40.613 30.169 56.463 1.00 0.00 N ATOM 78 CA ASN A 5 41.641 31.149 56.056 1.00 0.00 C ATOM 79 C ASN A 5 41.417 31.484 54.554 1.00 0.00 C ATOM 80 O ASN A 5 42.355 31.823 53.841 1.00 0.00 O ATOM 81 CB ASN A 5 43.094 30.743 56.390 1.00 0.00 C ATOM 82 CG ASN A 5 43.580 29.538 55.587 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.858 28.651 55.170 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.917 29.514 55.389 1.00 0.00 N ATOM 0 H ASN A 5 40.512 29.359 55.852 1.00 0.00 H new ATOM 0 HA ASN A 5 41.514 32.049 56.657 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.754 31.589 56.199 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.166 30.516 57.454 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.343 28.740 54.880 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.500 30.270 55.749 1.00 0.00 H new ATOM 91 N HIS A 6 40.096 31.463 54.124 1.00 0.00 N ATOM 92 CA HIS A 6 39.618 31.554 52.761 1.00 0.00 C ATOM 93 C HIS A 6 39.622 32.996 52.151 1.00 0.00 C ATOM 94 O HIS A 6 39.966 33.973 52.807 1.00 0.00 O ATOM 95 CB HIS A 6 40.137 30.395 51.828 1.00 0.00 C ATOM 96 CG HIS A 6 41.520 30.603 51.307 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.410 29.550 51.037 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.229 31.717 50.960 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.585 29.988 50.596 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.481 31.322 50.527 1.00 0.00 N ATOM 0 H HIS A 6 39.327 31.376 54.789 1.00 0.00 H new ATOM 0 HA HIS A 6 38.548 31.356 52.825 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.107 29.457 52.382 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.455 30.290 50.984 1.00 0.00 H new ATOM 0 HD1 HIS A 6 42.181 28.564 51.165 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.872 32.735 51.015 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.448 29.390 50.344 1.00 0.00 H new ATOM 109 N LEU A 7 39.122 33.071 50.865 1.00 0.00 N ATOM 110 CA LEU A 7 38.883 34.293 50.107 1.00 0.00 C ATOM 111 C LEU A 7 40.189 35.008 49.618 1.00 0.00 C ATOM 112 O LEU A 7 41.281 34.447 49.588 1.00 0.00 O ATOM 113 CB LEU A 7 37.891 35.223 50.835 1.00 0.00 C ATOM 114 CG LEU A 7 36.567 34.612 51.358 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.808 35.661 52.179 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.654 34.108 50.234 1.00 0.00 C ATOM 0 H LEU A 7 38.876 32.234 50.337 1.00 0.00 H new ATOM 0 HA LEU A 7 38.399 33.991 49.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.412 35.667 51.684 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.637 36.037 50.156 1.00 0.00 H new ATOM 0 HG LEU A 7 36.837 33.752 51.971 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.876 35.231 52.547 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.421 35.975 53.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.586 36.524 51.551 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.743 33.692 50.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.398 34.937 49.574 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.171 33.337 49.663 1.00 0.00 H new ATOM 128 N GLY A 8 39.995 36.270 49.088 1.00 0.00 N ATOM 129 CA GLY A 8 41.104 37.063 48.568 1.00 0.00 C ATOM 130 C GLY A 8 41.774 36.315 47.393 1.00 0.00 C ATOM 131 O GLY A 8 42.994 36.188 47.405 1.00 0.00 O ATOM 0 H GLY A 8 39.085 36.726 49.024 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.743 38.036 48.234 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.833 37.248 49.357 1.00 0.00 H new ATOM 135 N THR A 9 40.953 35.893 46.351 1.00 0.00 N ATOM 136 CA THR A 9 41.290 35.212 45.068 1.00 0.00 C ATOM 137 C THR A 9 40.842 33.714 45.118 1.00 0.00 C ATOM 138 O THR A 9 40.398 33.181 44.101 1.00 0.00 O ATOM 139 CB THR A 9 42.785 35.251 44.658 1.00 0.00 C ATOM 140 OG1 THR A 9 43.369 36.559 44.684 1.00 0.00 O ATOM 141 CG2 THR A 9 43.081 34.767 43.231 1.00 0.00 C ATOM 0 H THR A 9 39.946 36.045 46.414 1.00 0.00 H new ATOM 0 HA THR A 9 40.748 35.783 44.314 1.00 0.00 H new ATOM 0 HB THR A 9 43.208 34.585 45.410 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.567 36.810 45.610 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.152 34.832 43.039 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.755 33.732 43.123 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.546 35.392 42.516 1.00 0.00 H new ATOM 149 N LYS A 10 40.965 33.030 46.316 1.00 0.00 N ATOM 150 CA LYS A 10 40.695 31.575 46.437 1.00 0.00 C ATOM 151 C LYS A 10 39.738 31.313 47.665 1.00 0.00 C ATOM 152 O LYS A 10 40.202 31.313 48.798 1.00 0.00 O ATOM 153 CB LYS A 10 41.983 30.734 46.614 1.00 0.00 C ATOM 154 CG LYS A 10 42.997 30.792 45.448 1.00 0.00 C ATOM 155 CD LYS A 10 42.505 30.225 44.094 1.00 0.00 C ATOM 156 CE LYS A 10 43.326 30.794 42.929 1.00 0.00 C ATOM 157 NZ LYS A 10 43.033 30.096 41.600 1.00 0.00 N ATOM 0 H LYS A 10 41.247 33.473 47.190 1.00 0.00 H new ATOM 0 HA LYS A 10 40.226 31.263 45.504 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.486 31.063 47.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.696 29.694 46.768 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.291 31.831 45.299 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.893 30.247 45.744 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.582 29.138 44.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.452 30.469 43.955 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.116 31.859 42.829 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.387 30.699 43.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.615 30.520 40.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.258 29.084 41.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.027 30.208 41.363 1.00 0.00 H new ATOM 171 N PRO A 11 38.404 30.954 47.449 1.00 0.00 N ATOM 172 CA PRO A 11 37.481 30.698 48.589 1.00 0.00 C ATOM 173 C PRO A 11 37.400 29.319 49.384 1.00 0.00 C ATOM 174 O PRO A 11 36.660 29.363 50.370 1.00 0.00 O ATOM 175 CB PRO A 11 36.080 31.000 48.025 1.00 0.00 C ATOM 176 CG PRO A 11 36.364 32.092 46.991 1.00 0.00 C ATOM 177 CD PRO A 11 37.631 31.542 46.343 1.00 0.00 C ATOM 0 HA PRO A 11 37.906 31.318 49.378 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.628 30.119 47.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.396 31.345 48.801 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.550 32.207 46.276 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.524 33.067 47.452 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.394 30.794 45.587 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.194 32.332 45.845 1.00 0.00 H new ATOM 185 N PRO A 12 38.202 28.194 49.163 1.00 0.00 N ATOM 186 CA PRO A 12 37.859 26.934 49.897 1.00 0.00 C ATOM 187 C PRO A 12 38.625 26.446 51.175 1.00 0.00 C ATOM 188 O PRO A 12 38.032 25.636 51.892 1.00 0.00 O ATOM 189 CB PRO A 12 38.106 25.798 48.870 1.00 0.00 C ATOM 190 CG PRO A 12 38.097 26.479 47.498 1.00 0.00 C ATOM 191 CD PRO A 12 38.634 27.873 47.805 1.00 0.00 C ATOM 0 HA PRO A 12 36.864 27.164 50.279 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.058 25.301 49.056 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.330 25.035 48.935 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.727 25.952 46.782 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.094 26.517 47.073 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.721 27.896 47.728 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.249 28.603 47.093 1.00 0.00 H new ATOM 199 N THR A 13 39.931 26.828 51.473 1.00 0.00 N ATOM 200 CA THR A 13 40.612 26.181 52.612 1.00 0.00 C ATOM 201 C THR A 13 40.226 26.715 54.028 1.00 0.00 C ATOM 202 O THR A 13 39.816 27.852 54.251 1.00 0.00 O ATOM 203 CB THR A 13 42.169 26.126 52.540 1.00 0.00 C ATOM 204 OG1 THR A 13 42.839 27.368 52.717 1.00 0.00 O ATOM 205 CG2 THR A 13 42.721 25.529 51.228 1.00 0.00 C ATOM 0 H THR A 13 40.474 27.528 50.968 1.00 0.00 H new ATOM 0 HA THR A 13 40.219 25.171 52.491 1.00 0.00 H new ATOM 0 HB THR A 13 42.381 25.475 53.388 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.749 27.658 53.649 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.811 25.527 51.259 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.360 24.507 51.113 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.383 26.131 50.384 1.00 0.00 H new ATOM 213 N THR A 14 40.460 25.786 55.018 1.00 0.00 N ATOM 214 CA THR A 14 40.201 25.982 56.433 1.00 0.00 C ATOM 215 C THR A 14 41.394 25.392 57.250 1.00 0.00 C ATOM 216 O THR A 14 42.047 24.434 56.836 1.00 0.00 O ATOM 217 CB THR A 14 38.877 25.339 56.858 1.00 0.00 C ATOM 218 OG1 THR A 14 38.821 23.922 56.685 1.00 0.00 O ATOM 219 CG2 THR A 14 37.657 26.007 56.195 1.00 0.00 C ATOM 0 H THR A 14 40.845 24.864 54.814 1.00 0.00 H new ATOM 0 HA THR A 14 40.112 27.050 56.632 1.00 0.00 H new ATOM 0 HB THR A 14 38.834 25.519 57.932 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.947 23.591 56.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.745 25.513 56.530 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.623 27.060 56.473 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.739 25.921 55.112 1.00 0.00 H new ATOM 227 N GLU A 15 41.671 26.009 58.458 1.00 0.00 N ATOM 228 CA GLU A 15 42.879 25.660 59.235 1.00 0.00 C ATOM 229 C GLU A 15 42.464 24.915 60.543 1.00 0.00 C ATOM 230 O GLU A 15 41.917 25.511 61.468 1.00 0.00 O ATOM 231 CB GLU A 15 43.706 26.889 59.658 1.00 0.00 C ATOM 232 CG GLU A 15 44.370 27.687 58.524 1.00 0.00 C ATOM 233 CD GLU A 15 45.271 28.783 59.093 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.309 29.156 60.250 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.048 29.312 58.151 1.00 0.00 O ATOM 0 H GLU A 15 41.082 26.724 58.885 1.00 0.00 H new ATOM 0 HA GLU A 15 43.489 25.038 58.580 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.056 27.563 60.216 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.485 26.557 60.344 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.956 27.017 57.895 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.604 28.132 57.888 1.00 0.00 H new ATOM 243 N THR A 16 42.798 23.567 60.627 1.00 0.00 N ATOM 244 CA THR A 16 42.619 22.785 61.866 1.00 0.00 C ATOM 245 C THR A 16 43.896 23.147 62.694 1.00 0.00 C ATOM 246 O THR A 16 44.975 22.588 62.500 1.00 0.00 O ATOM 247 CB THR A 16 42.498 21.243 61.661 1.00 0.00 C ATOM 248 OG1 THR A 16 41.380 20.848 60.861 1.00 0.00 O ATOM 249 CG2 THR A 16 42.352 20.448 62.973 1.00 0.00 C ATOM 0 H THR A 16 43.185 23.032 59.849 1.00 0.00 H new ATOM 0 HA THR A 16 41.675 23.034 62.351 1.00 0.00 H new ATOM 0 HB THR A 16 43.439 21.012 61.162 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.369 19.872 60.774 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.274 19.385 62.747 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.225 20.622 63.603 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.455 20.775 63.498 1.00 0.00 H new ATOM 257 N CYS A 17 43.746 24.117 63.674 1.00 0.00 N ATOM 258 CA CYS A 17 44.901 24.677 64.393 1.00 0.00 C ATOM 259 C CYS A 17 44.840 24.405 65.924 1.00 0.00 C ATOM 260 O CYS A 17 43.796 24.176 66.536 1.00 0.00 O ATOM 261 CB CYS A 17 44.924 26.175 64.126 1.00 0.00 C ATOM 262 SG CYS A 17 46.304 27.137 64.790 1.00 0.00 S ATOM 0 H CYS A 17 42.846 24.502 63.960 1.00 0.00 H new ATOM 0 HA CYS A 17 45.810 24.195 64.034 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.904 26.322 63.046 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.001 26.599 64.522 1.00 0.00 H new ATOM 267 N GLN A 18 46.071 24.516 66.532 1.00 0.00 N ATOM 268 CA GLN A 18 46.335 24.201 67.933 1.00 0.00 C ATOM 269 C GLN A 18 45.904 25.358 68.891 1.00 0.00 C ATOM 270 O GLN A 18 46.080 25.220 70.103 1.00 0.00 O ATOM 271 CB GLN A 18 47.833 23.876 68.126 1.00 0.00 C ATOM 272 CG GLN A 18 48.362 22.635 67.360 1.00 0.00 C ATOM 273 CD GLN A 18 48.402 22.852 65.843 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.822 23.872 65.325 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.938 21.815 65.109 1.00 0.00 N ATOM 0 H GLN A 18 46.901 24.834 66.032 1.00 0.00 H new ATOM 0 HA GLN A 18 45.735 23.329 68.192 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.416 24.744 67.818 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.019 23.728 69.190 1.00 0.00 H new ATOM 0 HG2 GLN A 18 49.364 22.393 67.715 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.728 21.777 67.584 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.593 20.975 65.574 1.00 0.00 H new ATOM 0 HE22 GLN A 18 47.933 21.873 64.091 1.00 0.00 H new ATOM 284 N GLU A 19 45.311 26.509 68.390 1.00 0.00 N ATOM 285 CA GLU A 19 44.954 27.619 69.276 1.00 0.00 C ATOM 286 C GLU A 19 43.492 27.379 69.777 1.00 0.00 C ATOM 287 O GLU A 19 42.543 27.247 69.002 1.00 0.00 O ATOM 288 CB GLU A 19 45.055 28.985 68.575 1.00 0.00 C ATOM 289 CG GLU A 19 46.422 29.253 67.912 1.00 0.00 C ATOM 290 CD GLU A 19 47.567 29.066 68.899 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.628 29.547 70.020 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.535 28.310 68.392 1.00 0.00 O ATOM 0 H GLU A 19 45.089 26.660 67.406 1.00 0.00 H new ATOM 0 HA GLU A 19 45.657 27.646 70.108 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.276 29.050 67.816 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.856 29.771 69.304 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.556 28.579 67.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.443 30.269 67.517 1.00 0.00 H new ATOM 300 N ASP A 20 43.358 27.407 71.152 1.00 0.00 N ATOM 301 CA ASP A 20 42.164 27.235 71.985 1.00 0.00 C ATOM 302 C ASP A 20 40.961 28.192 71.592 1.00 0.00 C ATOM 303 O ASP A 20 39.846 28.036 72.092 1.00 0.00 O ATOM 304 CB ASP A 20 41.747 25.819 72.412 1.00 0.00 C ATOM 305 CG ASP A 20 41.191 24.777 71.414 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.473 24.874 70.221 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.477 23.927 71.961 1.00 0.00 O ATOM 0 H ASP A 20 44.179 27.568 71.736 1.00 0.00 H new ATOM 0 HA ASP A 20 42.546 27.592 72.941 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.620 25.366 72.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.993 25.938 73.190 1.00 0.00 H new ATOM 312 N SER A 21 41.230 29.268 70.770 1.00 0.00 N ATOM 313 CA SER A 21 40.259 30.269 70.351 1.00 0.00 C ATOM 314 C SER A 21 40.751 30.917 69.009 1.00 0.00 C ATOM 315 O SER A 21 41.917 30.762 68.631 1.00 0.00 O ATOM 316 CB SER A 21 40.074 31.355 71.423 1.00 0.00 C ATOM 317 OG SER A 21 41.209 32.165 71.690 1.00 0.00 O ATOM 0 H SER A 21 42.160 29.439 70.388 1.00 0.00 H new ATOM 0 HA SER A 21 39.294 29.784 70.205 1.00 0.00 H new ATOM 0 HB2 SER A 21 39.253 32.004 71.117 1.00 0.00 H new ATOM 0 HB3 SER A 21 39.770 30.873 72.352 1.00 0.00 H new ATOM 0 HG SER A 21 41.848 31.663 72.238 1.00 0.00 H new ATOM 323 N CYS A 22 39.831 31.638 68.263 1.00 0.00 N ATOM 324 CA CYS A 22 40.265 32.205 66.989 1.00 0.00 C ATOM 325 C CYS A 22 39.729 33.624 66.685 1.00 0.00 C ATOM 326 O CYS A 22 38.919 34.185 67.420 1.00 0.00 O ATOM 327 CB CYS A 22 40.015 31.227 65.800 1.00 0.00 C ATOM 328 SG CYS A 22 38.308 31.155 65.173 1.00 0.00 S ATOM 0 H CYS A 22 38.861 31.814 68.524 1.00 0.00 H new ATOM 0 HA CYS A 22 41.341 32.336 67.105 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.672 31.511 64.978 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.309 30.225 66.112 1.00 0.00 H new ATOM 333 N TYR A 23 40.286 34.204 65.562 1.00 0.00 N ATOM 334 CA TYR A 23 40.022 35.598 65.238 1.00 0.00 C ATOM 335 C TYR A 23 39.536 35.833 63.782 1.00 0.00 C ATOM 336 O TYR A 23 39.863 35.144 62.813 1.00 0.00 O ATOM 337 CB TYR A 23 41.264 36.511 65.512 1.00 0.00 C ATOM 338 CG TYR A 23 42.480 36.192 64.659 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.581 36.558 63.317 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.575 35.535 65.216 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.712 36.287 62.557 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.717 35.257 64.482 1.00 0.00 C ATOM 343 CZ TYR A 23 44.802 35.626 63.128 1.00 0.00 C ATOM 344 OH TYR A 23 45.937 35.318 62.440 1.00 0.00 O ATOM 0 H TYR A 23 40.897 33.719 64.905 1.00 0.00 H new ATOM 0 HA TYR A 23 39.205 35.874 65.905 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.980 37.550 65.343 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.540 36.422 66.563 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.751 37.070 62.852 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.532 35.233 66.252 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.749 36.589 61.521 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.548 34.753 64.953 1.00 0.00 H new ATOM 0 HH TYR A 23 46.566 34.859 63.035 1.00 0.00 H new ATOM 354 N LYS A 24 38.744 36.960 63.705 1.00 0.00 N ATOM 355 CA LYS A 24 38.097 37.483 62.508 1.00 0.00 C ATOM 356 C LYS A 24 38.920 38.770 62.151 1.00 0.00 C ATOM 357 O LYS A 24 38.908 39.800 62.824 1.00 0.00 O ATOM 358 CB LYS A 24 36.630 37.799 62.831 1.00 0.00 C ATOM 359 CG LYS A 24 35.773 36.675 63.461 1.00 0.00 C ATOM 360 CD LYS A 24 35.501 35.418 62.617 1.00 0.00 C ATOM 361 CE LYS A 24 34.605 34.446 63.410 1.00 0.00 C ATOM 362 NZ LYS A 24 33.750 33.551 62.520 1.00 0.00 N ATOM 0 H LYS A 24 38.550 37.531 64.527 1.00 0.00 H new ATOM 0 HA LYS A 24 38.084 36.787 61.669 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.612 38.653 63.508 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.144 38.114 61.908 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.261 36.359 64.383 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.811 37.105 63.740 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.016 35.694 61.681 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.441 34.932 62.357 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.232 33.821 64.046 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.954 35.019 64.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.440 32.719 63.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.917 34.081 62.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.309 33.242 61.699 1.00 0.00 H new ATOM 376 N ASN A 25 39.646 38.672 60.987 1.00 0.00 N ATOM 377 CA ASN A 25 40.529 39.710 60.432 1.00 0.00 C ATOM 378 C ASN A 25 39.790 40.112 59.096 1.00 0.00 C ATOM 379 O ASN A 25 39.545 39.292 58.213 1.00 0.00 O ATOM 380 CB ASN A 25 41.932 39.147 60.264 1.00 0.00 C ATOM 381 CG ASN A 25 42.838 40.171 59.635 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.607 40.869 60.266 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.681 40.286 58.305 1.00 0.00 N ATOM 0 H ASN A 25 39.618 37.834 60.406 1.00 0.00 H new ATOM 0 HA ASN A 25 40.685 40.591 61.054 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.329 38.848 61.234 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.899 38.251 59.643 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.219 40.980 57.786 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.024 39.679 57.815 1.00 0.00 H new ATOM 390 N ILE A 26 39.423 41.459 58.980 1.00 0.00 N ATOM 391 CA ILE A 26 38.236 41.855 58.167 1.00 0.00 C ATOM 392 C ILE A 26 38.455 42.977 57.078 1.00 0.00 C ATOM 393 O ILE A 26 37.549 43.318 56.319 1.00 0.00 O ATOM 394 CB ILE A 26 37.087 42.281 59.138 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.971 43.787 59.505 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.027 41.453 60.449 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.125 44.424 60.287 1.00 0.00 C ATOM 0 H ILE A 26 39.918 42.233 59.423 1.00 0.00 H new ATOM 0 HA ILE A 26 37.990 40.970 57.580 1.00 0.00 H new ATOM 0 HB ILE A 26 36.230 42.056 58.504 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.844 44.348 58.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.059 43.921 60.086 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.204 41.810 61.068 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.870 40.401 60.208 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.965 41.565 60.993 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.904 45.475 60.470 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.248 43.908 61.239 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.045 44.342 59.709 1.00 0.00 H new ATOM 409 N TRP A 27 39.704 43.542 57.034 1.00 0.00 N ATOM 410 CA TRP A 27 40.265 44.670 56.269 1.00 0.00 C ATOM 411 C TRP A 27 41.055 44.031 55.057 1.00 0.00 C ATOM 412 O TRP A 27 40.458 43.634 54.064 1.00 0.00 O ATOM 413 CB TRP A 27 41.155 45.599 57.199 1.00 0.00 C ATOM 414 CG TRP A 27 41.600 44.898 58.457 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.020 43.544 58.502 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.484 45.259 59.799 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.029 43.040 59.765 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.718 44.117 60.571 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.019 46.415 60.476 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.532 44.018 61.910 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.809 46.353 61.847 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.070 45.167 62.564 1.00 0.00 C ATOM 0 H TRP A 27 40.433 43.146 57.627 1.00 0.00 H new ATOM 0 HA TRP A 27 39.492 45.335 55.884 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.031 45.932 56.643 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.588 46.491 57.465 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.302 42.975 57.628 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.222 42.081 60.053 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.831 47.330 59.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.730 43.101 62.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.441 47.223 62.371 1.00 0.00 H new ATOM 0 HH2 TRP A 27 40.911 45.144 63.632 1.00 0.00 H new ATOM 433 N THR A 28 42.442 43.966 55.155 1.00 0.00 N ATOM 434 CA THR A 28 43.371 43.372 54.177 1.00 0.00 C ATOM 435 C THR A 28 43.794 44.426 53.099 1.00 0.00 C ATOM 436 O THR A 28 44.996 44.598 52.914 1.00 0.00 O ATOM 437 CB THR A 28 43.020 42.008 53.545 1.00 0.00 C ATOM 438 OG1 THR A 28 44.114 41.499 52.783 1.00 0.00 O ATOM 439 CG2 THR A 28 42.517 40.942 54.536 1.00 0.00 C ATOM 0 H THR A 28 42.934 44.350 55.962 1.00 0.00 H new ATOM 0 HA THR A 28 44.219 43.094 54.804 1.00 0.00 H new ATOM 0 HB THR A 28 42.176 42.217 52.888 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.099 41.893 51.886 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.297 40.020 53.998 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.285 40.750 55.285 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.612 41.300 55.027 1.00 0.00 H new ATOM 447 N PHE A 29 42.811 45.145 52.428 1.00 0.00 N ATOM 448 CA PHE A 29 42.995 46.187 51.355 1.00 0.00 C ATOM 449 C PHE A 29 42.096 45.699 50.189 1.00 0.00 C ATOM 450 O PHE A 29 41.171 46.399 49.785 1.00 0.00 O ATOM 451 CB PHE A 29 44.409 46.564 50.884 1.00 0.00 C ATOM 452 CG PHE A 29 44.417 47.774 49.966 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.437 49.070 50.493 1.00 0.00 C ATOM 454 CD2 PHE A 29 44.469 47.633 48.577 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.519 50.193 49.668 1.00 0.00 C ATOM 456 CE2 PHE A 29 44.552 48.744 47.736 1.00 0.00 C ATOM 457 CZ PHE A 29 44.584 50.034 48.279 1.00 0.00 C ATOM 0 H PHE A 29 41.824 44.999 52.639 1.00 0.00 H new ATOM 0 HA PHE A 29 42.720 47.147 51.792 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.035 46.768 51.753 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.853 45.715 50.364 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.388 49.205 51.563 1.00 0.00 H new ATOM 0 HD2 PHE A 29 44.444 46.644 48.145 1.00 0.00 H new ATOM 0 HE1 PHE A 29 44.532 51.182 50.101 1.00 0.00 H new ATOM 0 HE2 PHE A 29 44.592 48.608 46.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 44.658 50.897 47.633 1.00 0.00 H new ATOM 467 N ASP A 30 42.413 44.448 49.657 1.00 0.00 N ATOM 468 CA ASP A 30 41.369 43.645 49.019 1.00 0.00 C ATOM 469 C ASP A 30 40.277 43.593 50.153 1.00 0.00 C ATOM 470 O ASP A 30 40.500 42.970 51.188 1.00 0.00 O ATOM 471 CB ASP A 30 41.811 42.221 48.612 1.00 0.00 C ATOM 472 CG ASP A 30 42.646 41.354 49.609 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.503 41.948 50.271 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.394 40.142 49.600 1.00 0.00 O ATOM 0 H ASP A 30 43.341 44.025 49.672 1.00 0.00 H new ATOM 0 HA ASP A 30 41.044 44.076 48.072 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.910 41.658 48.367 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.391 42.310 47.694 1.00 0.00 H new ATOM 479 N ASN A 31 39.051 44.249 49.987 1.00 0.00 N ATOM 480 CA ASN A 31 38.154 44.373 51.150 1.00 0.00 C ATOM 481 C ASN A 31 37.563 42.938 51.382 1.00 0.00 C ATOM 482 O ASN A 31 36.681 42.496 50.646 1.00 0.00 O ATOM 483 CB ASN A 31 37.071 45.439 50.944 1.00 0.00 C ATOM 484 CG ASN A 31 36.506 45.853 52.295 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.981 46.754 52.961 1.00 0.00 O ATOM 486 ND2 ASN A 31 35.438 45.139 52.712 1.00 0.00 N ATOM 0 H ASN A 31 38.711 44.659 49.117 1.00 0.00 H new ATOM 0 HA ASN A 31 38.693 44.718 52.032 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.490 46.305 50.432 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.276 45.048 50.309 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.004 45.349 53.611 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.066 44.390 52.128 1.00 0.00 H new ATOM 493 N ILE A 32 38.026 42.209 52.483 1.00 0.00 N ATOM 494 CA ILE A 32 37.682 40.792 52.561 1.00 0.00 C ATOM 495 C ILE A 32 37.919 40.172 53.978 1.00 0.00 C ATOM 496 O ILE A 32 38.663 40.704 54.800 1.00 0.00 O ATOM 497 CB ILE A 32 38.491 39.930 51.535 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.791 38.662 51.001 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.890 39.557 52.083 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.398 38.865 50.382 1.00 0.00 C ATOM 0 H ILE A 32 38.590 42.578 53.249 1.00 0.00 H new ATOM 0 HA ILE A 32 36.617 40.764 52.329 1.00 0.00 H new ATOM 0 HB ILE A 32 38.577 40.594 50.675 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.436 38.205 50.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.701 37.949 51.821 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.423 38.959 51.344 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.454 40.466 52.289 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.779 38.983 53.003 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.007 37.906 50.043 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.726 39.287 51.129 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.472 39.546 49.535 1.00 0.00 H new ATOM 512 N ILE A 33 37.279 38.965 54.223 1.00 0.00 N ATOM 513 CA ILE A 33 37.451 38.254 55.507 1.00 0.00 C ATOM 514 C ILE A 33 38.511 37.122 55.241 1.00 0.00 C ATOM 515 O ILE A 33 38.221 36.059 54.695 1.00 0.00 O ATOM 516 CB ILE A 33 36.170 37.697 56.145 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.973 38.683 56.213 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.464 37.094 57.533 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.213 40.001 56.964 1.00 0.00 C ATOM 0 H ILE A 33 36.664 38.497 53.557 1.00 0.00 H new ATOM 0 HA ILE A 33 37.783 38.975 56.254 1.00 0.00 H new ATOM 0 HB ILE A 33 35.842 36.913 55.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.669 38.922 55.194 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.135 38.170 56.684 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.541 36.706 57.964 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.186 36.284 57.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.873 37.865 58.185 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.305 40.603 56.942 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.481 39.787 57.999 1.00 0.00 H new ATOM 0 HD13 ILE A 33 36.024 40.550 56.485 1.00 0.00 H new ATOM 531 N ARG A 34 39.804 37.378 55.660 1.00 0.00 N ATOM 532 CA ARG A 34 40.918 36.431 55.483 1.00 0.00 C ATOM 533 C ARG A 34 41.659 36.497 56.846 1.00 0.00 C ATOM 534 O ARG A 34 42.079 37.547 57.325 1.00 0.00 O ATOM 535 CB ARG A 34 41.832 36.744 54.291 1.00 0.00 C ATOM 536 CG ARG A 34 42.809 35.610 53.916 1.00 0.00 C ATOM 537 CD ARG A 34 43.135 35.572 52.406 1.00 0.00 C ATOM 538 NE ARG A 34 43.843 36.687 51.743 1.00 0.00 N ATOM 539 CZ ARG A 34 44.158 37.852 52.274 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.761 37.929 53.435 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.878 38.948 51.633 1.00 0.00 N ATOM 0 H ARG A 34 40.076 38.245 56.123 1.00 0.00 H new ATOM 0 HA ARG A 34 40.562 35.431 55.234 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.212 36.973 53.424 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.407 37.642 54.517 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.734 35.733 54.479 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.379 34.654 54.214 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.726 34.673 52.231 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.189 35.439 51.880 1.00 0.00 H new ATOM 0 HE ARG A 34 44.117 36.540 50.772 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.995 37.078 53.945 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.996 38.840 53.828 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.417 38.904 50.724 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.119 39.852 52.039 1.00 0.00 H new ATOM 555 N ARG A 35 41.803 35.276 57.496 1.00 0.00 N ATOM 556 CA ARG A 35 41.880 35.279 58.948 1.00 0.00 C ATOM 557 C ARG A 35 42.383 33.917 59.517 1.00 0.00 C ATOM 558 O ARG A 35 42.917 33.096 58.772 1.00 0.00 O ATOM 559 CB ARG A 35 40.466 35.639 59.466 1.00 0.00 C ATOM 560 CG ARG A 35 39.402 34.625 58.982 1.00 0.00 C ATOM 561 CD ARG A 35 38.081 34.530 59.747 1.00 0.00 C ATOM 562 NE ARG A 35 37.003 33.652 59.210 1.00 0.00 N ATOM 563 CZ ARG A 35 36.522 33.647 57.972 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.295 33.718 56.925 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.231 33.563 57.810 1.00 0.00 N ATOM 0 H ARG A 35 41.861 34.363 57.045 1.00 0.00 H new ATOM 0 HA ARG A 35 42.613 36.011 59.288 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.474 35.666 60.556 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.197 36.639 59.125 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.167 34.861 57.944 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.860 33.636 58.988 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.309 34.193 60.758 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.675 35.538 59.831 1.00 0.00 H new ATOM 0 HE ARG A 35 36.591 32.984 59.862 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.306 33.780 57.041 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.888 33.711 55.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.618 33.503 58.623 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.834 33.557 56.870 1.00 0.00 H new ATOM 579 N GLY A 36 42.254 33.721 60.890 1.00 0.00 N ATOM 580 CA GLY A 36 42.844 32.469 61.371 1.00 0.00 C ATOM 581 C GLY A 36 42.849 32.222 62.888 1.00 0.00 C ATOM 582 O GLY A 36 42.191 32.907 63.661 1.00 0.00 O ATOM 0 H GLY A 36 41.808 34.335 61.572 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.312 31.643 60.898 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.875 32.427 61.020 1.00 0.00 H new ATOM 586 N CYS A 37 43.623 31.142 63.278 1.00 0.00 N ATOM 587 CA CYS A 37 43.694 30.683 64.669 1.00 0.00 C ATOM 588 C CYS A 37 44.676 31.564 65.514 1.00 0.00 C ATOM 589 O CYS A 37 45.843 31.750 65.173 1.00 0.00 O ATOM 590 CB CYS A 37 44.142 29.198 64.702 1.00 0.00 C ATOM 591 SG CYS A 37 45.718 28.875 63.833 1.00 0.00 S ATOM 0 H CYS A 37 44.192 30.595 62.632 1.00 0.00 H new ATOM 0 HA CYS A 37 42.703 30.777 65.112 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.241 28.882 65.741 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.360 28.584 64.255 1.00 0.00 H new ATOM 596 N GLY A 38 44.167 32.153 66.675 1.00 0.00 N ATOM 597 CA GLY A 38 45.100 32.898 67.511 1.00 0.00 C ATOM 598 C GLY A 38 44.417 33.155 68.865 1.00 0.00 C ATOM 599 O GLY A 38 44.513 32.358 69.794 1.00 0.00 O ATOM 0 H GLY A 38 43.200 32.112 66.997 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.023 32.334 67.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.371 33.840 67.035 1.00 0.00 H new ATOM 603 N CYS A 39 43.719 34.346 68.968 1.00 0.00 N ATOM 604 CA CYS A 39 43.092 34.771 70.217 1.00 0.00 C ATOM 605 C CYS A 39 44.160 35.472 71.111 1.00 0.00 C ATOM 606 O CYS A 39 44.035 36.633 71.494 1.00 0.00 O ATOM 607 CB CYS A 39 41.821 35.570 69.951 1.00 0.00 C ATOM 608 SG CYS A 39 40.922 35.967 71.485 1.00 0.00 S ATOM 0 H CYS A 39 43.595 34.999 68.194 1.00 0.00 H new ATOM 0 HA CYS A 39 42.740 33.913 70.790 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.077 36.494 69.433 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.169 35.002 69.287 1.00 0.00 H new ATOM 613 N PHE A 40 45.245 34.677 71.433 1.00 0.00 N ATOM 614 CA PHE A 40 46.305 35.043 72.379 1.00 0.00 C ATOM 615 C PHE A 40 47.366 35.805 71.513 1.00 0.00 C ATOM 616 O PHE A 40 48.439 35.291 71.204 1.00 0.00 O ATOM 617 CB PHE A 40 46.842 33.785 73.143 1.00 0.00 C ATOM 618 CG PHE A 40 45.841 32.630 73.160 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.579 32.752 73.755 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.115 31.447 72.463 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.612 31.758 73.622 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.160 30.443 72.324 1.00 0.00 C ATOM 623 CZ PHE A 40 43.897 30.599 72.899 1.00 0.00 C ATOM 0 H PHE A 40 45.384 33.754 71.021 1.00 0.00 H new ATOM 0 HA PHE A 40 45.966 35.689 73.189 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.768 33.450 72.676 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.085 34.064 74.168 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.350 33.637 74.330 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.091 31.310 72.022 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.641 31.884 74.079 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.396 29.545 71.772 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.148 29.830 72.785 1.00 0.00 H new ATOM 633 N THR A 41 47.026 37.095 71.130 1.00 0.00 N ATOM 634 CA THR A 41 47.937 37.917 70.313 1.00 0.00 C ATOM 635 C THR A 41 48.876 38.750 71.256 1.00 0.00 C ATOM 636 O THR A 41 48.437 39.309 72.260 1.00 0.00 O ATOM 637 CB THR A 41 47.242 38.906 69.341 1.00 0.00 C ATOM 638 OG1 THR A 41 48.137 39.789 68.656 1.00 0.00 O ATOM 639 CG2 THR A 41 46.386 38.193 68.283 1.00 0.00 C ATOM 0 H THR A 41 46.149 37.553 71.378 1.00 0.00 H new ATOM 0 HA THR A 41 48.484 37.204 69.696 1.00 0.00 H new ATOM 0 HB THR A 41 46.611 39.499 70.002 1.00 0.00 H new ATOM 0 HG1 THR A 41 47.625 40.378 68.063 1.00 0.00 H new ATOM 0 HG21 THR A 41 45.923 38.933 67.630 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.017 37.530 67.691 1.00 0.00 H new ATOM 0 HG23 THR A 41 45.609 37.609 68.777 1.00 0.00 H new ATOM 647 N PRO A 42 50.197 38.925 70.840 1.00 0.00 N ATOM 648 CA PRO A 42 51.110 39.804 71.579 1.00 0.00 C ATOM 649 C PRO A 42 50.661 41.288 71.630 1.00 0.00 C ATOM 650 O PRO A 42 49.722 41.716 70.958 1.00 0.00 O ATOM 651 CB PRO A 42 52.438 39.707 70.809 1.00 0.00 C ATOM 652 CG PRO A 42 52.435 38.231 70.397 1.00 0.00 C ATOM 653 CD PRO A 42 50.974 38.029 69.977 1.00 0.00 C ATOM 0 HA PRO A 42 51.162 39.488 72.621 1.00 0.00 H new ATOM 0 HB2 PRO A 42 52.464 40.375 69.948 1.00 0.00 H new ATOM 0 HB3 PRO A 42 53.295 39.958 71.433 1.00 0.00 H new ATOM 0 HG2 PRO A 42 53.127 38.033 69.579 1.00 0.00 H new ATOM 0 HG3 PRO A 42 52.719 37.575 71.220 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.830 38.273 68.925 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.667 36.992 70.108 1.00 0.00 H new ATOM 661 N ARG A 43 51.435 42.088 72.451 1.00 0.00 N ATOM 662 CA ARG A 43 51.097 43.501 72.639 1.00 0.00 C ATOM 663 C ARG A 43 51.740 44.334 71.469 1.00 0.00 C ATOM 664 O ARG A 43 52.936 44.624 71.461 1.00 0.00 O ATOM 665 CB ARG A 43 51.578 44.027 74.003 1.00 0.00 C ATOM 666 CG ARG A 43 51.113 45.480 74.262 1.00 0.00 C ATOM 667 CD ARG A 43 52.195 46.410 74.839 1.00 0.00 C ATOM 668 NE ARG A 43 51.960 47.857 74.554 1.00 0.00 N ATOM 669 CZ ARG A 43 52.115 48.445 73.374 1.00 0.00 C ATOM 670 NH1 ARG A 43 52.639 47.830 72.345 1.00 0.00 N ATOM 671 NH2 ARG A 43 51.718 49.680 73.229 1.00 0.00 N ATOM 0 H ARG A 43 52.258 41.769 72.962 1.00 0.00 H new ATOM 0 HA ARG A 43 50.012 43.607 72.623 1.00 0.00 H new ATOM 0 HB2 ARG A 43 51.201 43.379 74.795 1.00 0.00 H new ATOM 0 HB3 ARG A 43 52.666 43.982 74.045 1.00 0.00 H new ATOM 0 HG2 ARG A 43 50.752 45.904 73.325 1.00 0.00 H new ATOM 0 HG3 ARG A 43 50.267 45.459 74.949 1.00 0.00 H new ATOM 0 HD2 ARG A 43 52.247 46.266 75.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 53.164 46.122 74.431 1.00 0.00 H new ATOM 0 HE ARG A 43 51.655 48.443 75.331 1.00 0.00 H new ATOM 0 HH11 ARG A 43 52.947 46.861 72.432 1.00 0.00 H new ATOM 0 HH12 ARG A 43 52.740 48.319 71.456 1.00 0.00 H new ATOM 0 HH21 ARG A 43 51.297 50.176 74.015 1.00 0.00 H new ATOM 0 HH22 ARG A 43 51.829 50.149 72.330 1.00 0.00 H new ATOM 685 N GLY A 44 50.885 44.763 70.461 1.00 0.00 N ATOM 686 CA GLY A 44 51.312 45.627 69.346 1.00 0.00 C ATOM 687 C GLY A 44 50.755 47.069 69.441 1.00 0.00 C ATOM 688 O GLY A 44 49.776 47.329 70.137 1.00 0.00 O ATOM 0 H GLY A 44 49.898 44.508 70.424 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.401 45.666 69.322 1.00 0.00 H new ATOM 0 HA3 GLY A 44 50.989 45.181 68.405 1.00 0.00 H new ATOM 692 N ASP A 45 51.393 48.003 68.648 1.00 0.00 N ATOM 693 CA ASP A 45 50.958 49.417 68.575 1.00 0.00 C ATOM 694 C ASP A 45 50.088 49.571 67.286 1.00 0.00 C ATOM 695 O ASP A 45 50.158 50.538 66.532 1.00 0.00 O ATOM 696 CB ASP A 45 52.117 50.440 68.695 1.00 0.00 C ATOM 697 CG ASP A 45 52.666 50.344 70.138 1.00 0.00 C ATOM 698 OD1 ASP A 45 53.527 49.483 70.341 1.00 0.00 O ATOM 699 OD2 ASP A 45 52.094 51.065 70.962 1.00 0.00 O ATOM 0 H ASP A 45 52.200 47.787 68.063 1.00 0.00 H new ATOM 0 HA ASP A 45 50.353 49.662 69.448 1.00 0.00 H new ATOM 0 HB2 ASP A 45 52.901 50.220 67.970 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.763 51.449 68.485 1.00 0.00 H new ATOM 704 N MET A 46 49.186 48.542 67.123 1.00 0.00 N ATOM 705 CA MET A 46 48.206 48.440 66.061 1.00 0.00 C ATOM 706 C MET A 46 47.208 47.351 66.599 1.00 0.00 C ATOM 707 O MET A 46 47.602 46.224 66.908 1.00 0.00 O ATOM 708 CB MET A 46 48.738 48.041 64.671 1.00 0.00 C ATOM 709 CG MET A 46 47.622 48.012 63.609 1.00 0.00 C ATOM 710 SD MET A 46 48.228 47.944 61.889 1.00 0.00 S ATOM 711 CE MET A 46 49.203 46.418 61.821 1.00 0.00 C ATOM 0 H MET A 46 49.148 47.752 67.767 1.00 0.00 H new ATOM 0 HA MET A 46 47.775 49.422 65.868 1.00 0.00 H new ATOM 0 HB2 MET A 46 49.512 48.745 64.364 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.206 47.059 64.731 1.00 0.00 H new ATOM 0 HG2 MET A 46 46.984 47.147 63.792 1.00 0.00 H new ATOM 0 HG3 MET A 46 46.999 48.899 63.728 1.00 0.00 H new ATOM 0 HE1 MET A 46 49.611 46.291 60.818 1.00 0.00 H new ATOM 0 HE2 MET A 46 50.020 46.476 62.540 1.00 0.00 H new ATOM 0 HE3 MET A 46 48.566 45.568 62.064 1.00 0.00 H new ATOM 721 N PRO A 47 45.865 47.698 66.731 1.00 0.00 N ATOM 722 CA PRO A 47 44.870 46.756 67.271 1.00 0.00 C ATOM 723 C PRO A 47 44.914 45.365 66.572 1.00 0.00 C ATOM 724 O PRO A 47 45.010 45.248 65.349 1.00 0.00 O ATOM 725 CB PRO A 47 43.509 47.413 66.971 1.00 0.00 C ATOM 726 CG PRO A 47 43.832 48.909 67.084 1.00 0.00 C ATOM 727 CD PRO A 47 45.236 48.993 66.468 1.00 0.00 C ATOM 0 HA PRO A 47 45.058 46.575 68.329 1.00 0.00 H new ATOM 0 HB2 PRO A 47 43.141 47.151 65.979 1.00 0.00 H new ATOM 0 HB3 PRO A 47 42.744 47.108 67.685 1.00 0.00 H new ATOM 0 HG2 PRO A 47 43.113 49.522 66.540 1.00 0.00 H new ATOM 0 HG3 PRO A 47 43.822 49.249 68.119 1.00 0.00 H new ATOM 0 HD2 PRO A 47 45.182 49.191 65.398 1.00 0.00 H new ATOM 0 HD3 PRO A 47 45.811 49.805 66.914 1.00 0.00 H new ATOM 735 N GLY A 48 44.826 44.255 67.402 1.00 0.00 N ATOM 736 CA GLY A 48 44.769 42.924 66.804 1.00 0.00 C ATOM 737 C GLY A 48 43.345 42.626 66.282 1.00 0.00 C ATOM 738 O GLY A 48 42.380 43.323 66.599 1.00 0.00 O ATOM 0 H GLY A 48 44.797 44.282 68.421 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.485 42.856 65.985 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.057 42.175 67.542 1.00 0.00 H new ATOM 742 N PRO A 49 43.219 41.469 65.537 1.00 0.00 N ATOM 743 CA PRO A 49 41.892 41.058 65.071 1.00 0.00 C ATOM 744 C PRO A 49 40.863 40.852 66.207 1.00 0.00 C ATOM 745 O PRO A 49 41.194 40.593 67.364 1.00 0.00 O ATOM 746 CB PRO A 49 42.168 39.721 64.395 1.00 0.00 C ATOM 747 CG PRO A 49 43.478 40.046 63.689 1.00 0.00 C ATOM 748 CD PRO A 49 44.259 40.762 64.789 1.00 0.00 C ATOM 0 HA PRO A 49 41.450 41.823 64.433 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.272 38.906 65.111 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.379 39.435 63.699 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.990 39.148 63.343 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.325 40.681 62.817 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.800 40.058 65.421 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.996 41.451 64.376 1.00 0.00 H new ATOM 756 N TYR A 50 39.543 40.934 65.795 1.00 0.00 N ATOM 757 CA TYR A 50 38.472 40.791 66.801 1.00 0.00 C ATOM 758 C TYR A 50 38.184 39.265 67.075 1.00 0.00 C ATOM 759 O TYR A 50 38.250 38.435 66.170 1.00 0.00 O ATOM 760 CB TYR A 50 37.158 41.630 66.556 1.00 0.00 C ATOM 761 CG TYR A 50 36.072 40.900 65.801 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.264 39.972 66.459 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.803 41.147 64.459 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.260 39.283 65.804 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.779 40.490 63.786 1.00 0.00 C ATOM 766 CZ TYR A 50 33.985 39.549 64.449 1.00 0.00 C ATOM 767 OH TYR A 50 32.971 38.869 63.844 1.00 0.00 O ATOM 0 H TYR A 50 39.232 41.088 64.836 1.00 0.00 H new ATOM 0 HA TYR A 50 38.867 41.254 67.705 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.761 41.947 67.520 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.418 42.534 66.006 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.428 39.787 67.510 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.405 41.868 63.926 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.685 38.538 66.334 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.596 40.708 62.744 1.00 0.00 H new ATOM 0 HH TYR A 50 32.896 39.156 62.910 1.00 0.00 H new ATOM 777 N CYS A 51 37.844 38.903 68.379 1.00 0.00 N ATOM 778 CA CYS A 51 37.891 37.485 68.806 1.00 0.00 C ATOM 779 C CYS A 51 36.564 36.795 69.298 1.00 0.00 C ATOM 780 O CYS A 51 35.631 37.411 69.801 1.00 0.00 O ATOM 781 CB CYS A 51 38.935 37.405 69.938 1.00 0.00 C ATOM 782 SG CYS A 51 39.032 35.771 70.728 1.00 0.00 S ATOM 0 H CYS A 51 37.551 39.560 69.102 1.00 0.00 H new ATOM 0 HA CYS A 51 38.127 36.927 67.900 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.915 37.663 69.536 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.695 38.151 70.695 1.00 0.00 H new ATOM 787 N CYS A 52 36.595 35.414 69.161 1.00 0.00 N ATOM 788 CA CYS A 52 35.573 34.448 69.563 1.00 0.00 C ATOM 789 C CYS A 52 36.230 33.131 70.141 1.00 0.00 C ATOM 790 O CYS A 52 37.382 32.847 69.818 1.00 0.00 O ATOM 791 CB CYS A 52 34.765 34.057 68.340 1.00 0.00 C ATOM 792 SG CYS A 52 33.112 33.385 68.698 1.00 0.00 S ATOM 0 H CYS A 52 37.399 34.951 68.737 1.00 0.00 H new ATOM 0 HA CYS A 52 34.950 34.909 70.329 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.655 34.932 67.700 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.328 33.316 67.772 1.00 0.00 H new ATOM 797 N GLU A 53 35.469 32.282 70.938 1.00 0.00 N ATOM 798 CA GLU A 53 36.052 31.036 71.508 1.00 0.00 C ATOM 799 C GLU A 53 35.163 29.820 71.093 1.00 0.00 C ATOM 800 O GLU A 53 34.623 29.102 71.933 1.00 0.00 O ATOM 801 CB GLU A 53 36.366 31.106 73.023 1.00 0.00 C ATOM 802 CG GLU A 53 35.156 31.222 73.970 1.00 0.00 C ATOM 803 CD GLU A 53 35.507 31.638 75.390 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.051 32.605 75.979 1.00 0.00 O ATOM 805 OE2 GLU A 53 36.362 30.794 75.963 1.00 0.00 O ATOM 0 H GLU A 53 34.492 32.445 71.181 1.00 0.00 H new ATOM 0 HA GLU A 53 37.044 30.900 71.076 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.929 30.214 73.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.019 31.961 73.197 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.454 31.945 73.556 1.00 0.00 H new ATOM 0 HG3 GLU A 53 34.642 30.261 74.002 1.00 0.00 H new ATOM 813 N SER A 54 35.068 29.552 69.737 1.00 0.00 N ATOM 814 CA SER A 54 34.285 28.398 69.311 1.00 0.00 C ATOM 815 C SER A 54 34.786 27.841 67.950 1.00 0.00 C ATOM 816 O SER A 54 35.599 28.456 67.261 1.00 0.00 O ATOM 817 CB SER A 54 32.740 28.623 69.235 1.00 0.00 C ATOM 818 OG SER A 54 32.070 27.441 69.665 1.00 0.00 O ATOM 0 H SER A 54 35.503 30.096 68.992 1.00 0.00 H new ATOM 0 HA SER A 54 34.447 27.672 70.107 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.453 29.466 69.863 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.447 28.870 68.215 1.00 0.00 H new ATOM 0 HG SER A 54 31.101 27.580 69.620 1.00 0.00 H new ATOM 824 N ASP A 55 34.279 26.599 67.605 1.00 0.00 N ATOM 825 CA ASP A 55 34.593 26.037 66.290 1.00 0.00 C ATOM 826 C ASP A 55 33.836 26.966 65.263 1.00 0.00 C ATOM 827 O ASP A 55 32.616 27.115 65.311 1.00 0.00 O ATOM 828 CB ASP A 55 34.178 24.553 66.179 1.00 0.00 C ATOM 829 CG ASP A 55 34.724 23.896 64.893 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.759 24.400 64.445 1.00 0.00 O ATOM 831 OD2 ASP A 55 34.089 22.948 64.426 1.00 0.00 O ATOM 0 H ASP A 55 33.688 26.020 68.201 1.00 0.00 H new ATOM 0 HA ASP A 55 35.665 26.024 66.094 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.545 24.008 67.049 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.091 24.478 66.191 1.00 0.00 H new ATOM 836 N LYS A 56 34.610 27.656 64.325 1.00 0.00 N ATOM 837 CA LYS A 56 34.142 28.601 63.312 1.00 0.00 C ATOM 838 C LYS A 56 33.673 29.967 63.891 1.00 0.00 C ATOM 839 O LYS A 56 34.061 31.022 63.388 1.00 0.00 O ATOM 840 CB LYS A 56 33.021 28.143 62.348 1.00 0.00 C ATOM 841 CG LYS A 56 33.435 26.965 61.456 1.00 0.00 C ATOM 842 CD LYS A 56 33.179 25.605 62.114 1.00 0.00 C ATOM 843 CE LYS A 56 33.820 24.422 61.367 1.00 0.00 C ATOM 844 NZ LYS A 56 34.940 23.822 62.223 1.00 0.00 N ATOM 0 H LYS A 56 35.622 27.534 64.287 1.00 0.00 H new ATOM 0 HA LYS A 56 35.063 28.685 62.735 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.144 27.859 62.930 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.727 28.982 61.717 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.887 27.017 60.515 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.494 27.053 61.214 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.561 25.628 63.134 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.103 25.441 62.180 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.067 23.664 61.151 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.219 24.756 60.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.695 23.463 61.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.327 24.555 62.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.560 23.041 62.795 1.00 0.00 H new ATOM 858 N CYS A 57 32.705 29.907 64.871 1.00 0.00 N ATOM 859 CA CYS A 57 31.884 31.033 65.296 1.00 0.00 C ATOM 860 C CYS A 57 31.181 31.534 63.972 1.00 0.00 C ATOM 861 O CYS A 57 31.330 32.684 63.570 1.00 0.00 O ATOM 862 CB CYS A 57 32.556 32.142 66.124 1.00 0.00 C ATOM 863 SG CYS A 57 33.084 31.560 67.763 1.00 0.00 S ATOM 0 H CYS A 57 32.493 29.047 65.377 1.00 0.00 H new ATOM 0 HA CYS A 57 31.174 30.695 66.051 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.421 32.524 65.581 1.00 0.00 H new ATOM 0 HB3 CYS A 57 31.862 32.974 66.243 1.00 0.00 H new ATOM 868 N ASN A 58 30.390 30.588 63.330 1.00 0.00 N ATOM 869 CA ASN A 58 29.510 30.695 62.160 1.00 0.00 C ATOM 870 C ASN A 58 30.307 30.780 60.827 1.00 0.00 C ATOM 871 O ASN A 58 30.200 29.912 59.965 1.00 0.00 O ATOM 872 CB ASN A 58 28.443 31.804 62.205 1.00 0.00 C ATOM 873 CG ASN A 58 27.579 31.675 63.452 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.843 30.727 63.656 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.679 32.710 64.316 1.00 0.00 N ATOM 0 H ASN A 58 30.375 29.633 63.687 1.00 0.00 H new ATOM 0 HA ASN A 58 28.952 29.760 62.201 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.927 32.781 62.192 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.816 31.747 61.315 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.126 32.714 65.173 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.307 33.487 64.111 1.00 0.00 H new ATOM 882 N LEU A 59 31.082 31.904 60.686 1.00 0.00 N ATOM 883 CA LEU A 59 31.788 32.337 59.479 1.00 0.00 C ATOM 884 C LEU A 59 32.917 33.268 60.075 1.00 0.00 C ATOM 885 O LEU A 59 32.554 34.382 60.471 1.00 0.00 O ATOM 886 CB LEU A 59 30.853 33.036 58.473 1.00 0.00 C ATOM 887 CG LEU A 59 31.436 33.480 57.106 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.708 32.324 56.125 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.453 34.458 56.436 1.00 0.00 C ATOM 890 OXT LEU A 59 34.061 32.799 60.164 1.00 0.00 O ATOM 0 H LEU A 59 31.224 32.550 61.463 1.00 0.00 H new ATOM 0 HA LEU A 59 32.196 31.523 58.881 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.018 32.364 58.275 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.442 33.920 58.961 1.00 0.00 H new ATOM 0 HG LEU A 59 32.399 33.942 57.325 1.00 0.00 H new ATOM 0 HD11 LEU A 59 32.114 32.723 55.196 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.426 31.633 56.567 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.777 31.797 55.917 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.855 34.776 55.474 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.494 33.963 56.283 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.313 35.329 57.076 1.00 0.00 H new TER 902 LEU A 59