USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 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 Single : A 1 ARG N :NH3+ -144:sc= 0.215! (180deg=-4.37!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0511 USER MOD Single : A 5 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.805 K(o=-0.8,f=-6.8!) USER MOD Single : A 9 THR OG1 : rot 39:sc= 1.22 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 21 SER OG : rot 96:sc= 1.13 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= -1.81! (180deg=-2.58!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.56! C(o=-4.6!,f=-3.6!) USER MOD Single : A 28 THR OG1 : rot -133:sc= 1.33 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 THR OG1 : rot 39:sc= 0.0452 USER MOD Single : A 46 MET CE :methyl -171:sc= -0.108 (180deg=-0.296) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.706! (180deg=-1.56!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.510 25.161 67.670 1.00 0.00 N ATOM 2 CA ARG A 1 39.152 24.847 67.018 1.00 0.00 C ATOM 3 C ARG A 1 39.307 25.053 65.473 1.00 0.00 C ATOM 4 O ARG A 1 40.362 25.494 65.029 1.00 0.00 O ATOM 5 CB ARG A 1 38.003 25.732 67.596 1.00 0.00 C ATOM 6 CG ARG A 1 36.816 24.981 68.250 1.00 0.00 C ATOM 7 CD ARG A 1 37.182 24.045 69.414 1.00 0.00 C ATOM 8 NE ARG A 1 37.914 24.678 70.558 1.00 0.00 N ATOM 9 CZ ARG A 1 37.462 25.750 71.189 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.270 25.762 71.725 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.202 26.823 71.249 1.00 0.00 N ATOM 0 H1 ARG A 1 40.666 24.519 68.473 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.269 25.032 66.971 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.514 26.145 68.008 1.00 0.00 H new ATOM 0 HA ARG A 1 38.872 23.817 67.238 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.431 26.406 68.338 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.612 26.353 66.790 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.098 25.717 68.611 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.312 24.395 67.481 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.265 23.598 69.798 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.793 23.232 69.022 1.00 0.00 H new ATOM 0 HE ARG A 1 38.796 24.266 70.863 1.00 0.00 H new ATOM 0 HH11 ARG A 1 35.673 24.937 71.660 1.00 0.00 H new ATOM 0 HH12 ARG A 1 35.936 26.596 72.208 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.123 26.832 70.811 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.859 27.652 71.734 1.00 0.00 H new ATOM 27 N ILE A 2 38.248 24.687 64.648 1.00 0.00 N ATOM 28 CA ILE A 2 38.342 24.859 63.174 1.00 0.00 C ATOM 29 C ILE A 2 37.782 26.288 62.834 1.00 0.00 C ATOM 30 O ILE A 2 36.640 26.618 63.159 1.00 0.00 O ATOM 31 CB ILE A 2 37.586 23.830 62.283 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.952 22.362 62.635 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.821 24.128 60.776 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.088 21.282 61.961 1.00 0.00 C ATOM 0 H ILE A 2 37.368 24.291 64.979 1.00 0.00 H new ATOM 0 HA ILE A 2 39.395 24.705 62.938 1.00 0.00 H new ATOM 0 HB ILE A 2 36.522 23.943 62.491 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.994 22.191 62.363 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.880 22.237 63.715 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.283 23.397 60.172 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.458 25.129 60.542 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.887 24.068 60.555 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.428 20.295 62.275 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.046 21.416 62.251 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.177 21.369 60.878 1.00 0.00 H new ATOM 46 N CYS A 3 38.614 27.153 62.136 1.00 0.00 N ATOM 47 CA CYS A 3 38.126 28.456 61.658 1.00 0.00 C ATOM 48 C CYS A 3 38.664 28.675 60.201 1.00 0.00 C ATOM 49 O CYS A 3 39.753 28.231 59.841 1.00 0.00 O ATOM 50 CB CYS A 3 38.465 29.676 62.536 1.00 0.00 C ATOM 51 SG CYS A 3 38.194 29.333 64.306 1.00 0.00 S ATOM 0 H CYS A 3 39.589 26.955 61.912 1.00 0.00 H new ATOM 0 HA CYS A 3 37.038 28.400 61.700 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.505 29.961 62.376 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.852 30.524 62.232 1.00 0.00 H new ATOM 56 N TYR A 4 37.854 29.392 59.332 1.00 0.00 N ATOM 57 CA TYR A 4 38.136 29.325 57.888 1.00 0.00 C ATOM 58 C TYR A 4 39.208 30.333 57.377 1.00 0.00 C ATOM 59 O TYR A 4 39.619 31.235 58.097 1.00 0.00 O ATOM 60 CB TYR A 4 36.792 29.491 57.144 1.00 0.00 C ATOM 61 CG TYR A 4 35.719 28.551 57.699 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.016 27.258 58.136 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.405 28.983 57.872 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.066 26.429 58.699 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.431 28.170 58.435 1.00 0.00 C ATOM 66 CZ TYR A 4 33.735 26.861 58.824 1.00 0.00 C ATOM 67 OH TYR A 4 32.808 25.991 59.317 1.00 0.00 O ATOM 0 H TYR A 4 37.063 29.975 59.604 1.00 0.00 H new ATOM 0 HA TYR A 4 38.588 28.355 57.681 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.452 30.523 57.231 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.937 29.292 56.082 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.027 26.893 58.030 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.137 29.981 57.558 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.347 25.445 59.044 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.430 28.551 58.574 1.00 0.00 H new ATOM 0 HH TYR A 4 31.932 26.429 59.347 1.00 0.00 H new ATOM 77 N ASN A 5 39.686 30.121 56.092 1.00 0.00 N ATOM 78 CA ASN A 5 40.653 31.039 55.470 1.00 0.00 C ATOM 79 C ASN A 5 40.288 31.036 53.959 1.00 0.00 C ATOM 80 O ASN A 5 41.120 30.783 53.092 1.00 0.00 O ATOM 81 CB ASN A 5 42.116 30.669 55.728 1.00 0.00 C ATOM 82 CG ASN A 5 43.105 31.735 55.267 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.785 32.799 54.768 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.401 31.404 55.464 1.00 0.00 N ATOM 0 H ASN A 5 39.409 29.336 55.503 1.00 0.00 H new ATOM 0 HA ASN A 5 40.580 32.035 55.907 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.255 30.493 56.795 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.341 29.732 55.218 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.140 32.053 55.192 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.640 30.506 55.884 1.00 0.00 H new ATOM 91 N HIS A 6 38.969 31.340 53.675 1.00 0.00 N ATOM 92 CA HIS A 6 38.399 31.396 52.338 1.00 0.00 C ATOM 93 C HIS A 6 38.642 32.772 51.639 1.00 0.00 C ATOM 94 O HIS A 6 39.264 33.668 52.205 1.00 0.00 O ATOM 95 CB HIS A 6 38.564 30.112 51.425 1.00 0.00 C ATOM 96 CG HIS A 6 39.729 30.061 50.493 1.00 0.00 C ATOM 97 ND1 HIS A 6 40.028 28.914 49.737 1.00 0.00 N ATOM 98 CD2 HIS A 6 40.685 30.949 50.094 1.00 0.00 C ATOM 99 CE1 HIS A 6 41.091 29.080 48.955 1.00 0.00 C ATOM 100 NE2 HIS A 6 41.511 30.330 49.174 1.00 0.00 N ATOM 0 H HIS A 6 38.289 31.551 54.405 1.00 0.00 H new ATOM 0 HA HIS A 6 37.324 31.344 52.510 1.00 0.00 H new ATOM 0 HB2 HIS A 6 38.621 29.242 52.079 1.00 0.00 H new ATOM 0 HB3 HIS A 6 37.656 30.005 50.831 1.00 0.00 H new ATOM 0 HD2 HIS A 6 40.781 31.968 50.440 1.00 0.00 H new ATOM 0 HE1 HIS A 6 41.525 28.355 48.282 1.00 0.00 H new ATOM 0 HE2 HIS A 6 42.320 30.763 48.729 1.00 0.00 H new ATOM 109 N LEU A 7 38.045 32.936 50.405 1.00 0.00 N ATOM 110 CA LEU A 7 38.015 34.221 49.720 1.00 0.00 C ATOM 111 C LEU A 7 39.381 34.694 49.114 1.00 0.00 C ATOM 112 O LEU A 7 40.328 33.933 48.935 1.00 0.00 O ATOM 113 CB LEU A 7 37.221 35.276 50.527 1.00 0.00 C ATOM 114 CG LEU A 7 35.751 34.885 50.810 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.078 35.905 51.738 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.943 34.786 49.506 1.00 0.00 C ATOM 0 H LEU A 7 37.589 32.180 49.893 1.00 0.00 H new ATOM 0 HA LEU A 7 37.442 34.068 48.805 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.728 35.448 51.476 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.235 36.220 49.982 1.00 0.00 H new ATOM 0 HG LEU A 7 35.767 33.910 51.297 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.046 35.606 51.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.616 35.946 52.685 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.093 36.889 51.269 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.914 34.510 49.736 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.955 35.750 48.997 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.386 34.028 48.860 1.00 0.00 H new ATOM 128 N GLY A 8 39.359 35.991 48.630 1.00 0.00 N ATOM 129 CA GLY A 8 40.388 36.532 47.733 1.00 0.00 C ATOM 130 C GLY A 8 39.853 36.457 46.280 1.00 0.00 C ATOM 131 O GLY A 8 40.025 37.403 45.521 1.00 0.00 O ATOM 0 H GLY A 8 38.626 36.661 48.863 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.621 37.563 48.000 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.312 35.962 47.828 1.00 0.00 H new ATOM 135 N THR A 9 39.221 35.275 45.911 1.00 0.00 N ATOM 136 CA THR A 9 38.651 34.947 44.597 1.00 0.00 C ATOM 137 C THR A 9 38.227 33.443 44.690 1.00 0.00 C ATOM 138 O THR A 9 37.136 33.060 44.276 1.00 0.00 O ATOM 139 CB THR A 9 39.568 35.099 43.334 1.00 0.00 C ATOM 140 OG1 THR A 9 39.830 36.463 42.990 1.00 0.00 O ATOM 141 CG2 THR A 9 38.968 34.522 42.043 1.00 0.00 C ATOM 0 H THR A 9 39.106 34.510 46.575 1.00 0.00 H new ATOM 0 HA THR A 9 37.856 35.673 44.429 1.00 0.00 H new ATOM 0 HB THR A 9 40.461 34.557 43.645 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.951 36.989 43.808 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.667 34.669 41.220 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.780 33.456 42.174 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.030 35.031 41.819 1.00 0.00 H new ATOM 149 N LYS A 10 39.147 32.583 45.264 1.00 0.00 N ATOM 150 CA LYS A 10 38.993 31.125 45.401 1.00 0.00 C ATOM 151 C LYS A 10 38.305 30.701 46.765 1.00 0.00 C ATOM 152 O LYS A 10 38.531 31.378 47.761 1.00 0.00 O ATOM 153 CB LYS A 10 40.425 30.537 45.417 1.00 0.00 C ATOM 154 CG LYS A 10 41.340 30.860 44.194 1.00 0.00 C ATOM 155 CD LYS A 10 40.898 30.430 42.763 1.00 0.00 C ATOM 156 CE LYS A 10 41.511 31.403 41.730 1.00 0.00 C ATOM 157 NZ LYS A 10 41.272 31.030 40.265 1.00 0.00 N ATOM 0 H LYS A 10 40.031 32.919 45.646 1.00 0.00 H new ATOM 0 HA LYS A 10 38.367 30.765 44.584 1.00 0.00 H new ATOM 0 HB2 LYS A 10 40.926 30.892 46.318 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.345 29.453 45.503 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.492 31.939 44.177 1.00 0.00 H new ATOM 0 HG3 LYS A 10 42.312 30.404 44.385 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.225 29.410 42.559 1.00 0.00 H new ATOM 0 HD3 LYS A 10 39.811 30.437 42.687 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.104 32.399 41.906 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.586 31.462 41.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 41.719 31.739 39.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.685 30.095 40.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 40.250 31.002 40.076 1.00 0.00 H new ATOM 171 N PRO A 11 37.538 29.504 46.826 1.00 0.00 N ATOM 172 CA PRO A 11 36.893 29.120 48.129 1.00 0.00 C ATOM 173 C PRO A 11 37.328 27.748 48.835 1.00 0.00 C ATOM 174 O PRO A 11 36.800 27.540 49.928 1.00 0.00 O ATOM 175 CB PRO A 11 35.379 29.137 47.859 1.00 0.00 C ATOM 176 CG PRO A 11 35.328 28.606 46.427 1.00 0.00 C ATOM 177 CD PRO A 11 36.506 29.351 45.783 1.00 0.00 C ATOM 0 HA PRO A 11 37.241 29.843 48.867 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.830 28.501 48.554 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.957 30.139 47.942 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.455 27.524 46.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.381 28.835 45.938 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.897 28.793 44.932 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.189 30.324 45.408 1.00 0.00 H new ATOM 185 N PRO A 12 38.362 26.898 48.412 1.00 0.00 N ATOM 186 CA PRO A 12 38.611 25.608 49.103 1.00 0.00 C ATOM 187 C PRO A 12 39.261 25.391 50.535 1.00 0.00 C ATOM 188 O PRO A 12 39.125 24.244 50.971 1.00 0.00 O ATOM 189 CB PRO A 12 39.614 24.926 48.149 1.00 0.00 C ATOM 190 CG PRO A 12 39.055 25.277 46.773 1.00 0.00 C ATOM 191 CD PRO A 12 38.660 26.738 46.982 1.00 0.00 C ATOM 0 HA PRO A 12 37.593 25.277 49.310 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.626 25.307 48.285 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.655 23.848 48.307 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.798 25.160 45.984 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.202 24.654 46.503 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.468 27.404 46.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.791 26.994 46.375 1.00 0.00 H new ATOM 199 N THR A 13 39.911 26.348 51.312 1.00 0.00 N ATOM 200 CA THR A 13 40.618 25.965 52.567 1.00 0.00 C ATOM 201 C THR A 13 40.113 26.540 53.932 1.00 0.00 C ATOM 202 O THR A 13 39.470 27.579 54.045 1.00 0.00 O ATOM 203 CB THR A 13 42.107 26.385 52.450 1.00 0.00 C ATOM 204 OG1 THR A 13 42.305 27.792 52.259 1.00 0.00 O ATOM 205 CG2 THR A 13 42.842 25.665 51.307 1.00 0.00 C ATOM 0 H THR A 13 39.949 27.342 51.087 1.00 0.00 H new ATOM 0 HA THR A 13 40.423 24.894 52.621 1.00 0.00 H new ATOM 0 HB THR A 13 42.521 26.093 53.415 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.264 27.982 52.196 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.879 25.999 51.274 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.813 24.589 51.477 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.356 25.896 50.359 1.00 0.00 H new ATOM 213 N THR A 14 40.583 25.795 54.998 1.00 0.00 N ATOM 214 CA THR A 14 40.242 25.966 56.403 1.00 0.00 C ATOM 215 C THR A 14 41.482 25.658 57.306 1.00 0.00 C ATOM 216 O THR A 14 42.376 24.895 56.938 1.00 0.00 O ATOM 217 CB THR A 14 39.102 25.020 56.805 1.00 0.00 C ATOM 218 OG1 THR A 14 39.530 23.657 56.703 1.00 0.00 O ATOM 219 CG2 THR A 14 37.830 25.256 55.970 1.00 0.00 C ATOM 0 H THR A 14 41.241 25.029 54.857 1.00 0.00 H new ATOM 0 HA THR A 14 39.926 27.000 56.543 1.00 0.00 H new ATOM 0 HB THR A 14 38.847 25.236 57.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.795 23.063 56.963 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.051 24.564 56.290 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.486 26.280 56.112 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.051 25.091 54.916 1.00 0.00 H new ATOM 227 N GLU A 15 41.486 26.254 58.553 1.00 0.00 N ATOM 228 CA GLU A 15 42.608 26.070 59.491 1.00 0.00 C ATOM 229 C GLU A 15 42.067 25.111 60.604 1.00 0.00 C ATOM 230 O GLU A 15 41.452 25.549 61.576 1.00 0.00 O ATOM 231 CB GLU A 15 43.125 27.409 60.062 1.00 0.00 C ATOM 232 CG GLU A 15 43.451 28.501 59.020 1.00 0.00 C ATOM 233 CD GLU A 15 44.313 27.999 57.868 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.985 27.951 56.703 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.525 27.632 58.291 1.00 0.00 O ATOM 0 H GLU A 15 40.734 26.847 58.904 1.00 0.00 H new ATOM 0 HA GLU A 15 43.477 25.643 58.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.377 27.802 60.751 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.024 27.211 60.646 1.00 0.00 H new ATOM 0 HG2 GLU A 15 42.519 28.901 58.620 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.964 29.325 59.516 1.00 0.00 H new ATOM 243 N THR A 16 42.294 23.742 60.433 1.00 0.00 N ATOM 244 CA THR A 16 42.000 22.822 61.555 1.00 0.00 C ATOM 245 C THR A 16 43.088 23.186 62.621 1.00 0.00 C ATOM 246 O THR A 16 44.288 23.056 62.371 1.00 0.00 O ATOM 247 CB THR A 16 42.054 21.284 61.291 1.00 0.00 C ATOM 248 OG1 THR A 16 40.955 20.839 60.493 1.00 0.00 O ATOM 249 CG2 THR A 16 42.013 20.453 62.585 1.00 0.00 C ATOM 0 H THR A 16 42.653 23.305 59.584 1.00 0.00 H new ATOM 0 HA THR A 16 40.956 22.970 61.832 1.00 0.00 H new ATOM 0 HB THR A 16 43.002 21.132 60.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.026 19.872 60.349 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.053 19.392 62.338 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.867 20.712 63.211 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.090 20.665 63.124 1.00 0.00 H new ATOM 257 N CYS A 17 42.653 23.621 63.869 1.00 0.00 N ATOM 258 CA CYS A 17 43.622 24.165 64.830 1.00 0.00 C ATOM 259 C CYS A 17 43.415 23.548 66.252 1.00 0.00 C ATOM 260 O CYS A 17 42.305 23.400 66.765 1.00 0.00 O ATOM 261 CB CYS A 17 43.479 25.679 64.977 1.00 0.00 C ATOM 262 SG CYS A 17 45.015 26.582 65.285 1.00 0.00 S ATOM 0 H CYS A 17 41.686 23.596 64.192 1.00 0.00 H new ATOM 0 HA CYS A 17 44.608 23.913 64.439 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.023 26.073 64.069 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.788 25.883 65.795 1.00 0.00 H new ATOM 267 N GLN A 18 44.595 23.301 66.924 1.00 0.00 N ATOM 268 CA GLN A 18 44.679 22.943 68.336 1.00 0.00 C ATOM 269 C GLN A 18 44.989 24.229 69.175 1.00 0.00 C ATOM 270 O GLN A 18 44.828 24.189 70.394 1.00 0.00 O ATOM 271 CB GLN A 18 45.737 21.870 68.673 1.00 0.00 C ATOM 272 CG GLN A 18 45.789 20.604 67.787 1.00 0.00 C ATOM 273 CD GLN A 18 46.896 19.657 68.275 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.150 19.471 69.451 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.574 19.024 67.292 1.00 0.00 N ATOM 0 H GLN A 18 45.507 23.353 66.469 1.00 0.00 H new ATOM 0 HA GLN A 18 43.712 22.508 68.587 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.718 22.344 68.637 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.574 21.551 69.703 1.00 0.00 H new ATOM 0 HG2 GLN A 18 44.826 20.093 67.814 1.00 0.00 H new ATOM 0 HG3 GLN A 18 45.972 20.885 66.750 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.339 19.200 66.315 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.321 18.370 67.527 1.00 0.00 H new ATOM 284 N GLU A 19 45.480 25.384 68.552 1.00 0.00 N ATOM 285 CA GLU A 19 45.646 26.615 69.328 1.00 0.00 C ATOM 286 C GLU A 19 44.184 27.124 69.586 1.00 0.00 C ATOM 287 O GLU A 19 43.393 27.356 68.673 1.00 0.00 O ATOM 288 CB GLU A 19 46.504 27.726 68.683 1.00 0.00 C ATOM 289 CG GLU A 19 48.005 27.381 68.565 1.00 0.00 C ATOM 290 CD GLU A 19 48.787 28.655 68.237 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.014 29.551 69.030 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.198 28.669 66.966 1.00 0.00 O ATOM 0 H GLU A 19 45.743 25.450 67.569 1.00 0.00 H new ATOM 0 HA GLU A 19 46.210 26.381 70.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.113 27.940 67.688 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.398 28.638 69.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.366 26.948 69.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.159 26.634 67.786 1.00 0.00 H new ATOM 300 N ASP A 20 43.869 27.317 70.919 1.00 0.00 N ATOM 301 CA ASP A 20 42.566 27.599 71.512 1.00 0.00 C ATOM 302 C ASP A 20 41.894 28.975 71.114 1.00 0.00 C ATOM 303 O ASP A 20 40.981 29.385 71.837 1.00 0.00 O ATOM 304 CB ASP A 20 41.608 26.398 71.596 1.00 0.00 C ATOM 305 CG ASP A 20 40.960 25.935 70.276 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.509 26.832 69.556 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.865 24.717 70.088 1.00 0.00 O ATOM 0 H ASP A 20 44.596 27.269 71.633 1.00 0.00 H new ATOM 0 HA ASP A 20 42.832 27.779 72.554 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.155 25.556 72.020 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.811 26.647 72.297 1.00 0.00 H new ATOM 312 N SER A 21 42.366 29.750 70.066 1.00 0.00 N ATOM 313 CA SER A 21 41.772 31.037 69.708 1.00 0.00 C ATOM 314 C SER A 21 41.935 31.251 68.176 1.00 0.00 C ATOM 315 O SER A 21 42.948 30.913 67.558 1.00 0.00 O ATOM 316 CB SER A 21 42.373 32.322 70.374 1.00 0.00 C ATOM 317 OG SER A 21 41.995 32.556 71.724 1.00 0.00 O ATOM 0 H SER A 21 43.153 29.479 69.477 1.00 0.00 H new ATOM 0 HA SER A 21 40.747 30.949 70.069 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.460 32.257 70.327 1.00 0.00 H new ATOM 0 HB3 SER A 21 42.079 33.187 69.780 1.00 0.00 H new ATOM 0 HG SER A 21 42.687 32.205 72.323 1.00 0.00 H new ATOM 323 N CYS A 22 40.879 31.903 67.565 1.00 0.00 N ATOM 324 CA CYS A 22 40.950 32.231 66.152 1.00 0.00 C ATOM 325 C CYS A 22 40.433 33.670 65.872 1.00 0.00 C ATOM 326 O CYS A 22 39.630 34.238 66.610 1.00 0.00 O ATOM 327 CB CYS A 22 40.307 31.142 65.253 1.00 0.00 C ATOM 328 SG CYS A 22 38.498 31.218 65.091 1.00 0.00 S ATOM 0 H CYS A 22 40.019 32.187 68.035 1.00 0.00 H new ATOM 0 HA CYS A 22 42.003 32.234 65.870 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.746 31.214 64.258 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.577 30.164 65.650 1.00 0.00 H new ATOM 333 N TYR A 23 40.983 34.268 64.756 1.00 0.00 N ATOM 334 CA TYR A 23 40.840 35.700 64.481 1.00 0.00 C ATOM 335 C TYR A 23 40.192 36.026 63.111 1.00 0.00 C ATOM 336 O TYR A 23 40.272 35.275 62.139 1.00 0.00 O ATOM 337 CB TYR A 23 42.229 36.424 64.546 1.00 0.00 C ATOM 338 CG TYR A 23 43.246 35.847 63.582 1.00 0.00 C ATOM 339 CD1 TYR A 23 44.014 34.732 63.916 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.462 36.423 62.333 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.973 34.234 63.049 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.429 35.950 61.455 1.00 0.00 C ATOM 343 CZ TYR A 23 45.203 34.840 61.801 1.00 0.00 C ATOM 344 OH TYR A 23 46.157 34.306 60.987 1.00 0.00 O ATOM 0 H TYR A 23 41.521 33.762 64.053 1.00 0.00 H new ATOM 0 HA TYR A 23 40.168 36.063 65.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.091 37.483 64.328 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.620 36.356 65.561 1.00 0.00 H new ATOM 0 HD1 TYR A 23 43.858 34.248 64.869 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.857 37.267 62.036 1.00 0.00 H new ATOM 0 HE1 TYR A 23 45.552 33.368 63.336 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.582 36.440 60.505 1.00 0.00 H new ATOM 0 HH TYR A 23 46.207 34.825 60.157 1.00 0.00 H new ATOM 354 N LYS A 24 39.587 37.271 63.093 1.00 0.00 N ATOM 355 CA LYS A 24 38.812 37.828 61.973 1.00 0.00 C ATOM 356 C LYS A 24 39.620 39.068 61.429 1.00 0.00 C ATOM 357 O LYS A 24 39.930 40.019 62.143 1.00 0.00 O ATOM 358 CB LYS A 24 37.413 38.222 62.485 1.00 0.00 C ATOM 359 CG LYS A 24 36.645 37.119 63.260 1.00 0.00 C ATOM 360 CD LYS A 24 36.262 35.868 62.438 1.00 0.00 C ATOM 361 CE LYS A 24 36.096 34.601 63.298 1.00 0.00 C ATOM 362 NZ LYS A 24 35.086 33.647 62.664 1.00 0.00 N ATOM 0 H LYS A 24 39.641 37.909 63.887 1.00 0.00 H new ATOM 0 HA LYS A 24 38.670 37.111 61.164 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.515 39.092 63.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.808 38.530 61.632 1.00 0.00 H new ATOM 0 HG2 LYS A 24 37.255 36.803 64.106 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.734 37.555 63.670 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.331 36.062 61.906 1.00 0.00 H new ATOM 0 HD3 LYS A 24 37.028 35.689 61.684 1.00 0.00 H new ATOM 0 HE2 LYS A 24 37.058 34.100 63.406 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.765 34.876 64.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.470 33.252 63.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.507 34.164 61.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.591 32.875 62.185 1.00 0.00 H new ATOM 376 N ASN A 25 39.977 39.028 60.093 1.00 0.00 N ATOM 377 CA ASN A 25 40.829 40.016 59.397 1.00 0.00 C ATOM 378 C ASN A 25 39.972 40.454 58.142 1.00 0.00 C ATOM 379 O ASN A 25 39.617 39.633 57.298 1.00 0.00 O ATOM 380 CB ASN A 25 42.172 39.379 59.072 1.00 0.00 C ATOM 381 CG ASN A 25 43.139 40.256 58.318 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.736 40.575 57.074 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 44.200 40.639 58.771 1.00 0.00 N flip ATOM 0 H ASN A 25 39.662 38.281 59.474 1.00 0.00 H new ATOM 0 HA ASN A 25 41.086 40.899 59.982 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.642 39.067 60.005 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.995 38.476 58.487 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.474 40.378 59.718 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.816 41.221 58.204 1.00 0.00 H new ATOM 390 N ILE A 26 39.680 41.819 58.018 1.00 0.00 N ATOM 391 CA ILE A 26 38.463 42.271 57.271 1.00 0.00 C ATOM 392 C ILE A 26 38.652 43.391 56.175 1.00 0.00 C ATOM 393 O ILE A 26 37.755 43.664 55.380 1.00 0.00 O ATOM 394 CB ILE A 26 37.450 42.787 58.330 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.609 44.256 58.824 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.340 41.843 59.553 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.832 44.637 59.678 1.00 0.00 C ATOM 0 H ILE A 26 40.249 42.570 58.409 1.00 0.00 H new ATOM 0 HA ILE A 26 38.134 41.402 56.701 1.00 0.00 H new ATOM 0 HB ILE A 26 36.525 42.785 57.754 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.611 44.899 57.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.717 44.506 59.399 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.619 42.249 60.263 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.009 40.858 59.224 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.314 41.756 60.034 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.782 45.696 59.933 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.837 44.043 60.592 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.744 44.442 59.114 1.00 0.00 H new ATOM 409 N TRP A 27 39.848 44.062 56.210 1.00 0.00 N ATOM 410 CA TRP A 27 40.427 45.177 55.447 1.00 0.00 C ATOM 411 C TRP A 27 41.147 44.568 54.166 1.00 0.00 C ATOM 412 O TRP A 27 40.488 44.152 53.219 1.00 0.00 O ATOM 413 CB TRP A 27 41.393 45.985 56.406 1.00 0.00 C ATOM 414 CG TRP A 27 42.043 45.157 57.494 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.288 43.762 57.427 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.321 45.476 58.823 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.543 43.209 58.643 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.606 44.289 59.502 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.247 46.665 59.589 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.823 44.180 60.834 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.484 46.598 60.955 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.777 45.366 61.577 1.00 0.00 C ATOM 0 H TRP A 27 40.532 43.762 56.905 1.00 0.00 H new ATOM 0 HA TRP A 27 39.678 45.883 55.089 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.175 46.448 55.805 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.828 46.793 56.872 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.274 43.198 56.506 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.661 42.221 58.869 1.00 0.00 H new ATOM 0 HE3 TRP A 27 42.010 47.608 59.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.022 43.226 61.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.444 47.499 61.549 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.968 45.337 62.640 1.00 0.00 H new ATOM 433 N THR A 28 42.543 44.538 54.144 1.00 0.00 N ATOM 434 CA THR A 28 43.370 43.882 53.114 1.00 0.00 C ATOM 435 C THR A 28 43.576 44.733 51.790 1.00 0.00 C ATOM 436 O THR A 28 42.738 45.529 51.383 1.00 0.00 O ATOM 437 CB THR A 28 42.945 42.441 52.722 1.00 0.00 C ATOM 438 OG1 THR A 28 43.960 41.776 51.972 1.00 0.00 O ATOM 439 CG2 THR A 28 42.453 41.526 53.854 1.00 0.00 C ATOM 0 H THR A 28 43.104 44.986 54.869 1.00 0.00 H new ATOM 0 HA THR A 28 44.323 43.811 53.639 1.00 0.00 H new ATOM 0 HB THR A 28 42.063 42.618 52.107 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.559 41.346 51.188 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.189 40.551 53.445 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.244 41.406 54.595 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.577 41.971 54.327 1.00 0.00 H new ATOM 447 N PHE A 29 44.763 44.485 51.098 1.00 0.00 N ATOM 448 CA PHE A 29 45.135 45.096 49.804 1.00 0.00 C ATOM 449 C PHE A 29 44.018 44.797 48.764 1.00 0.00 C ATOM 450 O PHE A 29 43.558 45.695 48.062 1.00 0.00 O ATOM 451 CB PHE A 29 46.492 44.559 49.287 1.00 0.00 C ATOM 452 CG PHE A 29 47.000 45.106 47.951 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.446 44.707 46.728 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.133 45.928 47.905 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.982 45.126 45.508 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.691 46.346 46.694 1.00 0.00 C ATOM 457 CZ PHE A 29 48.115 45.946 45.483 1.00 0.00 C ATOM 0 H PHE A 29 45.474 43.845 51.452 1.00 0.00 H new ATOM 0 HA PHE A 29 45.240 46.171 49.948 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.247 44.765 50.045 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.415 43.475 49.200 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.582 44.059 46.728 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.588 46.248 48.831 1.00 0.00 H new ATOM 0 HE1 PHE A 29 46.521 44.816 44.582 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.567 46.978 46.693 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.539 46.266 44.543 1.00 0.00 H new ATOM 467 N ASP A 30 43.616 43.480 48.665 1.00 0.00 N ATOM 468 CA ASP A 30 42.600 42.972 47.754 1.00 0.00 C ATOM 469 C ASP A 30 41.127 43.358 48.175 1.00 0.00 C ATOM 470 O ASP A 30 40.223 43.109 47.376 1.00 0.00 O ATOM 471 CB ASP A 30 42.787 41.453 47.534 1.00 0.00 C ATOM 472 CG ASP A 30 42.805 40.517 48.772 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.633 41.045 49.869 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.031 39.324 48.539 1.00 0.00 O ATOM 0 H ASP A 30 44.021 42.747 49.247 1.00 0.00 H new ATOM 0 HA ASP A 30 42.745 43.470 46.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.988 41.114 46.875 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.725 41.310 46.998 1.00 0.00 H new ATOM 479 N ASN A 31 40.850 43.998 49.380 1.00 0.00 N ATOM 480 CA ASN A 31 39.532 44.407 49.884 1.00 0.00 C ATOM 481 C ASN A 31 38.717 43.094 50.097 1.00 0.00 C ATOM 482 O ASN A 31 37.880 42.716 49.277 1.00 0.00 O ATOM 483 CB ASN A 31 38.741 45.478 49.114 1.00 0.00 C ATOM 484 CG ASN A 31 37.545 45.891 49.976 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.671 46.473 51.039 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.332 45.565 49.478 1.00 0.00 N ATOM 0 H ASN A 31 41.596 44.239 50.032 1.00 0.00 H new ATOM 0 HA ASN A 31 39.714 44.959 50.806 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.373 46.340 48.901 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.403 45.086 48.155 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.487 45.806 49.995 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.262 45.078 48.585 1.00 0.00 H new ATOM 493 N ILE A 32 38.955 42.406 51.283 1.00 0.00 N ATOM 494 CA ILE A 32 38.259 41.146 51.516 1.00 0.00 C ATOM 495 C ILE A 32 38.314 40.678 53.007 1.00 0.00 C ATOM 496 O ILE A 32 39.088 41.182 53.817 1.00 0.00 O ATOM 497 CB ILE A 32 38.826 39.981 50.646 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.856 38.813 50.330 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.125 39.407 51.257 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.396 39.174 50.006 1.00 0.00 C ATOM 0 H ILE A 32 39.587 42.707 52.025 1.00 0.00 H new ATOM 0 HA ILE A 32 37.227 41.360 51.238 1.00 0.00 H new ATOM 0 HB ILE A 32 39.016 40.465 49.688 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.261 38.258 49.484 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.854 38.136 51.184 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.496 38.597 50.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.877 40.193 51.317 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.919 39.025 52.257 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.832 38.263 49.806 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.953 39.696 50.854 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.367 39.819 49.128 1.00 0.00 H new ATOM 512 N ILE A 33 37.465 39.630 53.329 1.00 0.00 N ATOM 513 CA ILE A 33 37.462 38.999 54.662 1.00 0.00 C ATOM 514 C ILE A 33 38.218 37.631 54.455 1.00 0.00 C ATOM 515 O ILE A 33 37.681 36.660 53.925 1.00 0.00 O ATOM 516 CB ILE A 33 36.100 38.782 55.332 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.199 40.029 55.554 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.281 38.085 56.699 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.830 40.893 54.335 1.00 0.00 C ATOM 0 H ILE A 33 36.792 39.227 52.676 1.00 0.00 H new ATOM 0 HA ILE A 33 37.940 39.682 55.365 1.00 0.00 H new ATOM 0 HB ILE A 33 35.572 38.171 54.600 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.271 39.690 56.014 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.697 40.673 56.279 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.306 37.937 57.164 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.764 37.119 56.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.901 38.707 57.345 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.199 41.722 54.654 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.739 41.284 53.878 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.291 40.285 53.608 1.00 0.00 H new ATOM 531 N ARG A 34 39.526 37.554 54.904 1.00 0.00 N ATOM 532 CA ARG A 34 40.381 36.372 54.684 1.00 0.00 C ATOM 533 C ARG A 34 41.292 36.314 55.954 1.00 0.00 C ATOM 534 O ARG A 34 41.998 37.260 56.296 1.00 0.00 O ATOM 535 CB ARG A 34 41.139 36.490 53.357 1.00 0.00 C ATOM 536 CG ARG A 34 42.068 35.338 52.937 1.00 0.00 C ATOM 537 CD ARG A 34 42.474 35.466 51.452 1.00 0.00 C ATOM 538 NE ARG A 34 43.228 36.652 50.975 1.00 0.00 N ATOM 539 CZ ARG A 34 43.852 37.589 51.671 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.322 37.364 52.868 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.012 38.765 51.133 1.00 0.00 N ATOM 0 H ARG A 34 39.987 38.306 55.416 1.00 0.00 H new ATOM 0 HA ARG A 34 39.829 35.438 54.578 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.402 36.627 52.566 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.737 37.400 53.397 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.960 35.339 53.563 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.566 34.384 53.099 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.068 34.586 51.204 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.559 35.409 50.863 1.00 0.00 H new ATOM 0 HE ARG A 34 43.272 36.761 49.962 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.213 36.444 53.294 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.798 38.109 53.377 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.659 38.948 50.194 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.490 39.502 51.651 1.00 0.00 H new ATOM 555 N ARG A 35 41.221 35.142 56.711 1.00 0.00 N ATOM 556 CA ARG A 35 41.632 35.151 58.113 1.00 0.00 C ATOM 557 C ARG A 35 42.062 33.754 58.681 1.00 0.00 C ATOM 558 O ARG A 35 42.288 32.838 57.899 1.00 0.00 O ATOM 559 CB ARG A 35 40.524 35.902 58.898 1.00 0.00 C ATOM 560 CG ARG A 35 39.030 35.598 58.629 1.00 0.00 C ATOM 561 CD ARG A 35 38.557 34.162 58.815 1.00 0.00 C ATOM 562 NE ARG A 35 37.118 33.939 58.487 1.00 0.00 N ATOM 563 CZ ARG A 35 36.543 34.109 57.306 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.229 34.162 56.196 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.248 34.239 57.273 1.00 0.00 N ATOM 0 H ARG A 35 40.895 34.242 56.360 1.00 0.00 H new ATOM 0 HA ARG A 35 42.572 35.689 58.232 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.703 35.724 59.958 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.672 36.968 58.724 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.435 36.235 59.283 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.806 35.895 57.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.165 33.508 58.190 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.731 33.866 59.849 1.00 0.00 H new ATOM 0 HE ARG A 35 36.517 33.624 59.249 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.245 34.071 56.219 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.749 34.294 55.306 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.710 34.208 58.139 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.771 34.372 56.381 1.00 0.00 H new ATOM 579 N GLY A 36 42.290 33.633 60.056 1.00 0.00 N ATOM 580 CA GLY A 36 42.961 32.378 60.472 1.00 0.00 C ATOM 581 C GLY A 36 42.958 31.988 61.974 1.00 0.00 C ATOM 582 O GLY A 36 42.127 32.470 62.732 1.00 0.00 O ATOM 0 H GLY A 36 42.048 34.304 60.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.501 31.559 59.918 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.000 32.437 60.149 1.00 0.00 H new ATOM 586 N CYS A 37 43.884 31.024 62.364 1.00 0.00 N ATOM 587 CA CYS A 37 43.973 30.476 63.740 1.00 0.00 C ATOM 588 C CYS A 37 45.357 30.879 64.372 1.00 0.00 C ATOM 589 O CYS A 37 46.428 30.513 63.890 1.00 0.00 O ATOM 590 CB CYS A 37 43.830 28.951 63.823 1.00 0.00 C ATOM 591 SG CYS A 37 44.028 28.371 65.548 1.00 0.00 S ATOM 0 H CYS A 37 44.571 30.625 61.724 1.00 0.00 H new ATOM 0 HA CYS A 37 43.132 30.903 64.286 1.00 0.00 H new ATOM 0 HB2 CYS A 37 42.853 28.652 63.444 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.577 28.476 63.187 1.00 0.00 H new ATOM 596 N GLY A 38 45.318 31.721 65.480 1.00 0.00 N ATOM 597 CA GLY A 38 46.567 32.076 66.152 1.00 0.00 C ATOM 598 C GLY A 38 46.103 32.747 67.462 1.00 0.00 C ATOM 599 O GLY A 38 45.778 32.094 68.448 1.00 0.00 O ATOM 0 H GLY A 38 44.472 32.127 65.880 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.180 31.196 66.349 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.168 32.754 65.546 1.00 0.00 H new ATOM 603 N CYS A 39 46.023 34.132 67.434 1.00 0.00 N ATOM 604 CA CYS A 39 45.464 34.865 68.566 1.00 0.00 C ATOM 605 C CYS A 39 46.403 34.934 69.808 1.00 0.00 C ATOM 606 O CYS A 39 47.628 34.885 69.713 1.00 0.00 O ATOM 607 CB CYS A 39 45.085 36.291 68.135 1.00 0.00 C ATOM 608 SG CYS A 39 44.048 37.205 69.335 1.00 0.00 S ATOM 0 H CYS A 39 46.335 34.714 66.656 1.00 0.00 H new ATOM 0 HA CYS A 39 44.582 34.304 68.875 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.999 36.858 67.960 1.00 0.00 H new ATOM 0 HB3 CYS A 39 44.555 36.239 67.184 1.00 0.00 H new ATOM 613 N PHE A 40 45.746 35.116 71.012 1.00 0.00 N ATOM 614 CA PHE A 40 46.435 35.217 72.300 1.00 0.00 C ATOM 615 C PHE A 40 47.348 36.491 72.275 1.00 0.00 C ATOM 616 O PHE A 40 48.439 36.491 72.841 1.00 0.00 O ATOM 617 CB PHE A 40 47.156 33.926 72.751 1.00 0.00 C ATOM 618 CG PHE A 40 46.258 32.710 72.617 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.237 32.432 73.533 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.398 31.857 71.516 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.406 31.327 73.371 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.559 30.765 71.326 1.00 0.00 C ATOM 623 CZ PHE A 40 44.591 30.479 72.285 1.00 0.00 C ATOM 0 H PHE A 40 44.732 35.193 71.085 1.00 0.00 H new ATOM 0 HA PHE A 40 45.686 35.335 73.083 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.056 33.783 72.152 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.476 34.030 73.788 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.091 33.086 74.380 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.178 32.052 70.795 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.621 31.129 74.086 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.657 30.147 70.446 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.981 29.594 72.185 1.00 0.00 H new ATOM 633 N THR A 41 46.830 37.629 71.662 1.00 0.00 N ATOM 634 CA THR A 41 47.607 38.876 71.555 1.00 0.00 C ATOM 635 C THR A 41 47.602 39.545 72.984 1.00 0.00 C ATOM 636 O THR A 41 46.546 39.838 73.547 1.00 0.00 O ATOM 637 CB THR A 41 47.094 39.898 70.508 1.00 0.00 C ATOM 638 OG1 THR A 41 45.730 40.293 70.668 1.00 0.00 O ATOM 639 CG2 THR A 41 48.041 41.100 70.353 1.00 0.00 C ATOM 0 H THR A 41 45.897 37.679 71.253 1.00 0.00 H new ATOM 0 HA THR A 41 48.602 38.603 71.205 1.00 0.00 H new ATOM 0 HB THR A 41 47.105 39.351 69.566 1.00 0.00 H new ATOM 0 HG1 THR A 41 45.525 40.383 71.622 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.638 41.787 69.609 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.135 41.615 71.309 1.00 0.00 H new ATOM 0 HG23 THR A 41 49.022 40.751 70.031 1.00 0.00 H new ATOM 647 N PRO A 42 48.829 39.870 73.563 1.00 0.00 N ATOM 648 CA PRO A 42 48.883 40.464 74.913 1.00 0.00 C ATOM 649 C PRO A 42 48.259 41.897 74.921 1.00 0.00 C ATOM 650 O PRO A 42 48.358 42.657 73.958 1.00 0.00 O ATOM 651 CB PRO A 42 50.377 40.465 75.297 1.00 0.00 C ATOM 652 CG PRO A 42 50.902 39.259 74.502 1.00 0.00 C ATOM 653 CD PRO A 42 50.169 39.434 73.174 1.00 0.00 C ATOM 0 HA PRO A 42 48.298 39.899 75.638 1.00 0.00 H new ATOM 0 HB2 PRO A 42 50.873 41.392 75.010 1.00 0.00 H new ATOM 0 HB3 PRO A 42 50.524 40.344 76.370 1.00 0.00 H new ATOM 0 HG2 PRO A 42 51.985 39.287 74.381 1.00 0.00 H new ATOM 0 HG3 PRO A 42 50.659 38.312 74.984 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.661 40.173 72.541 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.137 38.502 72.610 1.00 0.00 H new ATOM 661 N ARG A 43 47.635 42.288 76.099 1.00 0.00 N ATOM 662 CA ARG A 43 46.927 43.579 76.207 1.00 0.00 C ATOM 663 C ARG A 43 47.911 44.699 76.676 1.00 0.00 C ATOM 664 O ARG A 43 47.798 45.237 77.774 1.00 0.00 O ATOM 665 CB ARG A 43 45.655 43.429 77.074 1.00 0.00 C ATOM 666 CG ARG A 43 44.817 44.688 77.424 1.00 0.00 C ATOM 667 CD ARG A 43 44.247 45.489 76.239 1.00 0.00 C ATOM 668 NE ARG A 43 43.843 46.900 76.524 1.00 0.00 N ATOM 669 CZ ARG A 43 44.682 47.926 76.441 1.00 0.00 C ATOM 670 NH1 ARG A 43 45.933 47.831 76.804 1.00 0.00 N ATOM 671 NH2 ARG A 43 44.249 49.070 75.976 1.00 0.00 N ATOM 0 H ARG A 43 47.622 41.727 76.951 1.00 0.00 H new ATOM 0 HA ARG A 43 46.570 43.896 75.227 1.00 0.00 H new ATOM 0 HB2 ARG A 43 44.994 42.727 76.566 1.00 0.00 H new ATOM 0 HB3 ARG A 43 45.953 42.963 78.013 1.00 0.00 H new ATOM 0 HG2 ARG A 43 43.986 44.378 78.057 1.00 0.00 H new ATOM 0 HG3 ARG A 43 45.439 45.357 78.019 1.00 0.00 H new ATOM 0 HD2 ARG A 43 44.993 45.501 75.444 1.00 0.00 H new ATOM 0 HD3 ARG A 43 43.378 44.956 75.853 1.00 0.00 H new ATOM 0 HE ARG A 43 42.877 47.083 76.795 1.00 0.00 H new ATOM 0 HH11 ARG A 43 46.294 46.948 77.165 1.00 0.00 H new ATOM 0 HH12 ARG A 43 46.549 48.640 76.726 1.00 0.00 H new ATOM 0 HH21 ARG A 43 43.277 49.166 75.682 1.00 0.00 H new ATOM 0 HH22 ARG A 43 44.884 49.866 75.907 1.00 0.00 H new ATOM 685 N GLY A 44 48.852 45.110 75.741 1.00 0.00 N ATOM 686 CA GLY A 44 49.709 46.290 75.950 1.00 0.00 C ATOM 687 C GLY A 44 49.482 47.301 74.809 1.00 0.00 C ATOM 688 O GLY A 44 50.443 47.771 74.209 1.00 0.00 O ATOM 0 H GLY A 44 49.014 44.630 74.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 49.481 46.752 76.910 1.00 0.00 H new ATOM 0 HA3 GLY A 44 50.757 45.991 75.981 1.00 0.00 H new ATOM 692 N ASP A 45 48.167 47.638 74.538 1.00 0.00 N ATOM 693 CA ASP A 45 47.751 48.642 73.560 1.00 0.00 C ATOM 694 C ASP A 45 48.321 48.195 72.176 1.00 0.00 C ATOM 695 O ASP A 45 48.901 48.981 71.432 1.00 0.00 O ATOM 696 CB ASP A 45 48.039 50.104 74.002 1.00 0.00 C ATOM 697 CG ASP A 45 47.054 50.419 75.160 1.00 0.00 C ATOM 698 OD1 ASP A 45 47.416 50.076 76.290 1.00 0.00 O ATOM 699 OD2 ASP A 45 45.949 50.850 74.814 1.00 0.00 O ATOM 0 H ASP A 45 47.381 47.197 75.015 1.00 0.00 H new ATOM 0 HA ASP A 45 46.665 48.684 73.472 1.00 0.00 H new ATOM 0 HB2 ASP A 45 49.072 50.213 74.332 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.895 50.795 73.172 1.00 0.00 H new ATOM 704 N MET A 46 48.024 46.885 71.814 1.00 0.00 N ATOM 705 CA MET A 46 48.577 46.239 70.604 1.00 0.00 C ATOM 706 C MET A 46 47.358 45.667 69.772 1.00 0.00 C ATOM 707 O MET A 46 46.853 44.590 70.087 1.00 0.00 O ATOM 708 CB MET A 46 49.569 45.132 71.015 1.00 0.00 C ATOM 709 CG MET A 46 50.249 44.457 69.811 1.00 0.00 C ATOM 710 SD MET A 46 51.395 43.104 70.263 1.00 0.00 S ATOM 711 CE MET A 46 52.451 43.841 71.543 1.00 0.00 C ATOM 0 H MET A 46 47.406 46.281 72.356 1.00 0.00 H new ATOM 0 HA MET A 46 49.130 46.948 69.987 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.333 45.559 71.664 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.041 44.377 71.598 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.480 44.061 69.148 1.00 0.00 H new ATOM 0 HG3 MET A 46 50.798 45.211 69.248 1.00 0.00 H new ATOM 0 HE1 MET A 46 53.275 43.164 71.769 1.00 0.00 H new ATOM 0 HE2 MET A 46 52.849 44.790 71.184 1.00 0.00 H new ATOM 0 HE3 MET A 46 51.864 44.011 72.445 1.00 0.00 H new ATOM 721 N PRO A 47 46.923 46.353 68.629 1.00 0.00 N ATOM 722 CA PRO A 47 45.785 45.819 67.836 1.00 0.00 C ATOM 723 C PRO A 47 46.312 44.736 66.819 1.00 0.00 C ATOM 724 O PRO A 47 47.138 45.020 65.951 1.00 0.00 O ATOM 725 CB PRO A 47 45.174 47.031 67.098 1.00 0.00 C ATOM 726 CG PRO A 47 45.552 48.201 68.016 1.00 0.00 C ATOM 727 CD PRO A 47 46.970 47.809 68.444 1.00 0.00 C ATOM 0 HA PRO A 47 45.036 45.334 68.462 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.590 47.149 66.097 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.094 46.936 66.985 1.00 0.00 H new ATOM 0 HG2 PRO A 47 45.531 49.157 67.492 1.00 0.00 H new ATOM 0 HG3 PRO A 47 44.877 48.289 68.867 1.00 0.00 H new ATOM 0 HD2 PRO A 47 47.702 48.087 67.686 1.00 0.00 H new ATOM 0 HD3 PRO A 47 47.258 48.315 69.366 1.00 0.00 H new ATOM 735 N GLY A 48 45.803 43.445 66.920 1.00 0.00 N ATOM 736 CA GLY A 48 46.209 42.344 66.016 1.00 0.00 C ATOM 737 C GLY A 48 44.892 41.718 65.461 1.00 0.00 C ATOM 738 O GLY A 48 44.394 40.833 66.147 1.00 0.00 O ATOM 0 H GLY A 48 45.117 43.168 67.622 1.00 0.00 H new ATOM 0 HA2 GLY A 48 46.833 42.719 65.204 1.00 0.00 H new ATOM 0 HA3 GLY A 48 46.797 41.599 66.552 1.00 0.00 H new ATOM 742 N PRO A 49 44.326 42.132 64.193 1.00 0.00 N ATOM 743 CA PRO A 49 42.969 41.590 63.912 1.00 0.00 C ATOM 744 C PRO A 49 42.055 41.774 65.166 1.00 0.00 C ATOM 745 O PRO A 49 42.160 42.723 65.945 1.00 0.00 O ATOM 746 CB PRO A 49 43.200 40.154 63.401 1.00 0.00 C ATOM 747 CG PRO A 49 44.562 40.257 62.669 1.00 0.00 C ATOM 748 CD PRO A 49 45.085 41.664 63.024 1.00 0.00 C ATOM 0 HA PRO A 49 42.410 42.117 63.139 1.00 0.00 H new ATOM 0 HB2 PRO A 49 43.236 39.435 64.220 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.404 39.832 62.729 1.00 0.00 H new ATOM 0 HG2 PRO A 49 45.252 39.481 63.002 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.444 40.137 61.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 46.152 41.632 63.246 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.955 42.346 62.183 1.00 0.00 H new ATOM 756 N TYR A 50 41.049 40.845 65.269 1.00 0.00 N ATOM 757 CA TYR A 50 40.192 40.838 66.460 1.00 0.00 C ATOM 758 C TYR A 50 39.749 39.357 66.696 1.00 0.00 C ATOM 759 O TYR A 50 39.394 38.623 65.773 1.00 0.00 O ATOM 760 CB TYR A 50 39.001 41.846 66.552 1.00 0.00 C ATOM 761 CG TYR A 50 37.910 41.559 65.559 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.956 42.085 64.272 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.809 40.780 65.906 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.928 41.876 63.368 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.776 40.547 65.013 1.00 0.00 C ATOM 766 CZ TYR A 50 35.809 41.122 63.738 1.00 0.00 C ATOM 767 OH TYR A 50 34.762 40.921 62.868 1.00 0.00 O ATOM 0 H TYR A 50 40.834 40.134 64.570 1.00 0.00 H new ATOM 0 HA TYR A 50 40.809 41.236 67.265 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.585 41.817 67.559 1.00 0.00 H new ATOM 0 HB3 TYR A 50 39.375 42.857 66.391 1.00 0.00 H new ATOM 0 HD1 TYR A 50 38.813 42.670 63.971 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.759 40.347 66.894 1.00 0.00 H new ATOM 0 HE1 TYR A 50 36.990 42.296 62.375 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.944 39.921 65.301 1.00 0.00 H new ATOM 0 HH TYR A 50 34.077 40.372 63.302 1.00 0.00 H new ATOM 777 N CYS A 51 39.812 38.913 68.014 1.00 0.00 N ATOM 778 CA CYS A 51 39.829 37.469 68.304 1.00 0.00 C ATOM 779 C CYS A 51 38.664 36.942 69.202 1.00 0.00 C ATOM 780 O CYS A 51 38.120 37.614 70.073 1.00 0.00 O ATOM 781 CB CYS A 51 41.171 37.149 68.993 1.00 0.00 C ATOM 782 SG CYS A 51 42.564 37.918 68.098 1.00 0.00 S ATOM 0 H CYS A 51 39.849 39.521 68.832 1.00 0.00 H new ATOM 0 HA CYS A 51 39.698 36.964 67.347 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.151 37.510 70.021 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.313 36.069 69.036 1.00 0.00 H new ATOM 787 N CYS A 52 38.368 35.618 68.959 1.00 0.00 N ATOM 788 CA CYS A 52 37.362 34.808 69.639 1.00 0.00 C ATOM 789 C CYS A 52 37.942 33.409 70.048 1.00 0.00 C ATOM 790 O CYS A 52 39.072 33.077 69.695 1.00 0.00 O ATOM 791 CB CYS A 52 36.179 34.641 68.700 1.00 0.00 C ATOM 792 SG CYS A 52 34.703 33.974 69.508 1.00 0.00 S ATOM 0 H CYS A 52 38.865 35.087 68.243 1.00 0.00 H new ATOM 0 HA CYS A 52 37.049 35.306 70.557 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.936 35.608 68.259 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.465 33.980 67.882 1.00 0.00 H new ATOM 797 N GLU A 53 37.112 32.566 70.768 1.00 0.00 N ATOM 798 CA GLU A 53 37.636 31.291 71.277 1.00 0.00 C ATOM 799 C GLU A 53 36.548 30.169 71.291 1.00 0.00 C ATOM 800 O GLU A 53 36.553 29.276 72.139 1.00 0.00 O ATOM 801 CB GLU A 53 38.335 31.493 72.637 1.00 0.00 C ATOM 802 CG GLU A 53 37.458 32.104 73.761 1.00 0.00 C ATOM 803 CD GLU A 53 37.185 33.590 73.551 1.00 0.00 C ATOM 804 OE1 GLU A 53 36.117 34.071 73.215 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.276 34.321 73.794 1.00 0.00 O ATOM 0 H GLU A 53 36.134 32.755 70.986 1.00 0.00 H new ATOM 0 HA GLU A 53 38.398 30.934 70.585 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.710 30.528 72.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.201 32.137 72.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.510 31.568 73.809 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.954 31.962 74.721 1.00 0.00 H new ATOM 813 N SER A 54 35.668 30.179 70.229 1.00 0.00 N ATOM 814 CA SER A 54 34.583 29.211 70.018 1.00 0.00 C ATOM 815 C SER A 54 34.703 28.516 68.620 1.00 0.00 C ATOM 816 O SER A 54 35.566 28.859 67.814 1.00 0.00 O ATOM 817 CB SER A 54 33.171 29.847 70.236 1.00 0.00 C ATOM 818 OG SER A 54 32.904 29.923 71.637 1.00 0.00 O ATOM 0 H SER A 54 35.714 30.884 69.494 1.00 0.00 H new ATOM 0 HA SER A 54 34.692 28.437 70.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.134 30.842 69.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.408 29.248 69.740 1.00 0.00 H new ATOM 0 HG SER A 54 32.021 30.323 71.780 1.00 0.00 H new ATOM 824 N ASP A 55 33.827 27.467 68.380 1.00 0.00 N ATOM 825 CA ASP A 55 33.892 26.721 67.112 1.00 0.00 C ATOM 826 C ASP A 55 33.334 27.702 66.011 1.00 0.00 C ATOM 827 O ASP A 55 32.168 28.091 66.007 1.00 0.00 O ATOM 828 CB ASP A 55 33.133 25.379 67.200 1.00 0.00 C ATOM 829 CG ASP A 55 33.344 24.469 65.966 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.474 24.495 65.458 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.370 23.805 65.602 1.00 0.00 O ATOM 0 H ASP A 55 33.109 27.150 69.031 1.00 0.00 H new ATOM 0 HA ASP A 55 34.910 26.424 66.861 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.456 24.846 68.094 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.068 25.580 67.316 1.00 0.00 H new ATOM 836 N LYS A 56 34.249 28.146 65.055 1.00 0.00 N ATOM 837 CA LYS A 56 33.993 29.079 63.959 1.00 0.00 C ATOM 838 C LYS A 56 33.929 30.534 64.504 1.00 0.00 C ATOM 839 O LYS A 56 34.704 31.385 64.062 1.00 0.00 O ATOM 840 CB LYS A 56 32.846 28.768 62.977 1.00 0.00 C ATOM 841 CG LYS A 56 33.049 27.430 62.230 1.00 0.00 C ATOM 842 CD LYS A 56 32.649 26.160 63.003 1.00 0.00 C ATOM 843 CE LYS A 56 33.008 24.840 62.296 1.00 0.00 C ATOM 844 NZ LYS A 56 33.270 23.751 63.348 1.00 0.00 N ATOM 0 H LYS A 56 35.217 27.826 65.062 1.00 0.00 H new ATOM 0 HA LYS A 56 34.854 28.944 63.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.904 28.735 63.524 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.765 29.577 62.251 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.476 27.463 61.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.100 27.347 61.952 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.133 26.177 63.980 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.574 26.182 63.180 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.195 24.536 61.636 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.891 24.978 61.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.328 22.824 62.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.166 23.949 63.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.493 23.742 64.039 1.00 0.00 H new ATOM 858 N CYS A 57 32.965 30.812 65.448 1.00 0.00 N ATOM 859 CA CYS A 57 32.779 32.106 66.092 1.00 0.00 C ATOM 860 C CYS A 57 32.531 33.136 64.941 1.00 0.00 C ATOM 861 O CYS A 57 33.261 34.109 64.771 1.00 0.00 O ATOM 862 CB CYS A 57 33.857 32.495 67.111 1.00 0.00 C ATOM 863 SG CYS A 57 33.475 34.106 67.866 1.00 0.00 S ATOM 0 H CYS A 57 32.298 30.110 65.768 1.00 0.00 H new ATOM 0 HA CYS A 57 31.913 32.075 66.753 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.925 31.731 67.886 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.829 32.539 66.621 1.00 0.00 H new ATOM 868 N ASN A 58 31.411 32.891 64.162 1.00 0.00 N ATOM 869 CA ASN A 58 30.904 33.783 63.117 1.00 0.00 C ATOM 870 C ASN A 58 31.957 33.756 61.960 1.00 0.00 C ATOM 871 O ASN A 58 32.741 34.688 61.799 1.00 0.00 O ATOM 872 CB ASN A 58 30.529 35.197 63.607 1.00 0.00 C ATOM 873 CG ASN A 58 29.624 35.182 64.840 1.00 0.00 C ATOM 874 OD1 ASN A 58 28.787 34.325 65.055 1.00 0.00 O ATOM 875 ND2 ASN A 58 29.812 36.224 65.682 1.00 0.00 N ATOM 0 H ASN A 58 30.848 32.047 64.269 1.00 0.00 H new ATOM 0 HA ASN A 58 29.941 33.423 62.755 1.00 0.00 H new ATOM 0 HB2 ASN A 58 31.440 35.749 63.839 1.00 0.00 H new ATOM 0 HB3 ASN A 58 30.027 35.734 62.802 1.00 0.00 H new ATOM 0 HD21 ASN A 58 29.244 36.307 66.525 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.522 36.926 65.474 1.00 0.00 H new ATOM 882 N LEU A 59 31.949 32.620 61.164 1.00 0.00 N ATOM 883 CA LEU A 59 32.778 32.352 59.971 1.00 0.00 C ATOM 884 C LEU A 59 34.336 32.504 60.316 1.00 0.00 C ATOM 885 O LEU A 59 34.868 33.591 60.050 1.00 0.00 O ATOM 886 CB LEU A 59 32.495 33.222 58.721 1.00 0.00 C ATOM 887 CG LEU A 59 31.178 33.335 57.920 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.511 34.076 56.609 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.532 31.980 57.609 1.00 0.00 C ATOM 890 OXT LEU A 59 34.877 31.541 60.864 1.00 0.00 O ATOM 0 H LEU A 59 31.323 31.841 61.369 1.00 0.00 H new ATOM 0 HA LEU A 59 32.500 31.331 59.708 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.732 34.242 59.025 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.247 32.924 57.991 1.00 0.00 H new ATOM 0 HG LEU A 59 30.448 33.873 58.524 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.607 34.179 56.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.907 35.065 56.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.255 33.509 56.049 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.612 32.136 57.045 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.221 31.375 57.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.303 31.464 58.541 1.00 0.00 H new TER 902 LEU A 59