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 Single : A 1 ARG N :NH3+ -162:sc= 0.599! (180deg=-0.626!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.143 K(o=-0.14,f=-3.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-4!) USER MOD Single : A 9 THR OG1 : rot 76:sc=0.000997 USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= -2.66! (180deg=-3.82!) USER MOD Single : A 13 THR OG1 : rot 58:sc= 0.632 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) USER MOD Single : A 21 SER OG : rot -99:sc= 1.58 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 2.54 (180deg=-0.0926!) USER MOD Single : A 25 ASN : amide:sc= -4.75! C(o=-4.7!,f=-4.4!) USER MOD Single : A 28 THR OG1 : rot 130:sc= 0.033 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 25:sc= 0.212 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -165:sc= -0.179! (180deg=-2.22!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.060 24.493 67.580 1.00 0.00 N ATOM 2 CA ARG A 1 38.802 24.091 66.801 1.00 0.00 C ATOM 3 C ARG A 1 39.022 24.507 65.314 1.00 0.00 C ATOM 4 O ARG A 1 40.066 25.075 64.999 1.00 0.00 O ATOM 5 CB ARG A 1 37.500 24.603 67.458 1.00 0.00 C ATOM 6 CG ARG A 1 36.812 25.911 66.988 1.00 0.00 C ATOM 7 CD ARG A 1 37.535 27.235 67.285 1.00 0.00 C ATOM 8 NE ARG A 1 38.025 27.477 68.674 1.00 0.00 N ATOM 9 CZ ARG A 1 37.441 27.132 69.812 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.169 26.864 69.883 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.163 27.056 70.892 1.00 0.00 N ATOM 0 H1 ARG A 1 40.090 23.976 68.482 1.00 0.00 H new ATOM 0 H2 ARG A 1 40.905 24.261 67.019 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.040 25.516 67.768 1.00 0.00 H new ATOM 0 HA ARG A 1 38.652 23.012 66.826 1.00 0.00 H new ATOM 0 HB2 ARG A 1 36.763 23.806 67.362 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.707 24.719 68.522 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.660 25.844 65.911 1.00 0.00 H new ATOM 0 HG3 ARG A 1 35.824 25.956 67.447 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.391 27.304 66.614 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.859 28.049 67.024 1.00 0.00 H new ATOM 0 HE ARG A 1 38.916 27.967 68.757 1.00 0.00 H new ATOM 0 HH11 ARG A 1 35.589 26.916 69.045 1.00 0.00 H new ATOM 0 HH12 ARG A 1 35.752 26.601 70.776 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.162 27.261 70.853 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.730 26.792 71.777 1.00 0.00 H new ATOM 27 N ILE A 2 38.064 24.137 64.375 1.00 0.00 N ATOM 28 CA ILE A 2 38.274 24.476 62.952 1.00 0.00 C ATOM 29 C ILE A 2 37.647 25.881 62.667 1.00 0.00 C ATOM 30 O ILE A 2 36.484 26.161 62.959 1.00 0.00 O ATOM 31 CB ILE A 2 37.683 23.533 61.862 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.020 22.037 62.081 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.129 23.996 60.443 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.321 21.086 61.094 1.00 0.00 C ATOM 0 H ILE A 2 37.200 23.636 64.584 1.00 0.00 H new ATOM 0 HA ILE A 2 39.357 24.402 62.857 1.00 0.00 H new ATOM 0 HB ILE A 2 36.599 23.611 61.948 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.098 21.902 61.997 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.742 21.758 63.097 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.708 23.327 59.693 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.775 25.011 60.263 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.217 23.974 60.378 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.609 20.058 61.314 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.240 21.189 61.193 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.618 21.336 60.076 1.00 0.00 H new ATOM 46 N CYS A 3 38.461 26.769 61.991 1.00 0.00 N ATOM 47 CA CYS A 3 37.951 28.007 61.422 1.00 0.00 C ATOM 48 C CYS A 3 38.686 28.224 60.052 1.00 0.00 C ATOM 49 O CYS A 3 39.872 27.942 59.897 1.00 0.00 O ATOM 50 CB CYS A 3 38.038 29.184 62.417 1.00 0.00 C ATOM 51 SG CYS A 3 39.671 29.412 63.183 1.00 0.00 S ATOM 0 H CYS A 3 39.460 26.623 61.845 1.00 0.00 H new ATOM 0 HA CYS A 3 36.881 27.946 61.223 1.00 0.00 H new ATOM 0 HB2 CYS A 3 37.764 30.102 61.897 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.300 29.031 63.205 1.00 0.00 H new ATOM 56 N TYR A 4 37.923 28.723 58.997 1.00 0.00 N ATOM 57 CA TYR A 4 38.448 28.700 57.624 1.00 0.00 C ATOM 58 C TYR A 4 39.536 29.796 57.310 1.00 0.00 C ATOM 59 O TYR A 4 39.949 30.547 58.185 1.00 0.00 O ATOM 60 CB TYR A 4 37.273 28.932 56.633 1.00 0.00 C ATOM 61 CG TYR A 4 35.956 28.266 57.006 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.852 26.920 57.354 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.788 29.027 57.035 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.642 26.362 57.732 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.568 28.493 57.419 1.00 0.00 C ATOM 66 CZ TYR A 4 33.470 27.145 57.768 1.00 0.00 C ATOM 67 OH TYR A 4 32.298 26.562 58.147 1.00 0.00 O ATOM 0 H TYR A 4 36.989 29.122 59.095 1.00 0.00 H new ATOM 0 HA TYR A 4 38.926 27.727 57.514 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.104 30.005 56.543 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.575 28.573 55.649 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.735 26.298 57.328 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.836 30.067 56.749 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.596 25.317 58.002 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.690 29.122 57.448 1.00 0.00 H new ATOM 0 HH TYR A 4 31.579 27.228 58.124 1.00 0.00 H new ATOM 77 N ASN A 5 39.961 29.876 55.992 1.00 0.00 N ATOM 78 CA ASN A 5 40.828 30.955 55.513 1.00 0.00 C ATOM 79 C ASN A 5 40.555 31.071 53.973 1.00 0.00 C ATOM 80 O ASN A 5 41.494 31.140 53.189 1.00 0.00 O ATOM 81 CB ASN A 5 42.313 30.721 55.831 1.00 0.00 C ATOM 82 CG ASN A 5 43.190 31.881 55.370 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.786 33.022 55.248 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.473 31.547 55.106 1.00 0.00 N ATOM 0 H ASN A 5 39.704 29.199 55.274 1.00 0.00 H new ATOM 0 HA ASN A 5 40.598 31.889 56.026 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.435 30.580 56.905 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.646 29.802 55.349 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.132 32.261 54.795 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.782 30.581 55.218 1.00 0.00 H new ATOM 91 N HIS A 6 39.233 31.094 53.551 1.00 0.00 N ATOM 92 CA HIS A 6 38.747 31.220 52.166 1.00 0.00 C ATOM 93 C HIS A 6 38.598 32.730 51.766 1.00 0.00 C ATOM 94 O HIS A 6 39.364 33.590 52.197 1.00 0.00 O ATOM 95 CB HIS A 6 39.346 30.325 50.993 1.00 0.00 C ATOM 96 CG HIS A 6 40.621 30.729 50.322 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.275 29.868 49.416 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.469 31.792 50.424 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.449 30.353 49.023 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.584 31.536 49.639 1.00 0.00 N ATOM 0 H HIS A 6 38.465 31.020 54.218 1.00 0.00 H new ATOM 0 HA HIS A 6 37.781 30.722 52.247 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.494 29.322 51.393 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.582 30.250 50.219 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.301 32.681 51.014 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.151 29.889 48.346 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.388 32.157 49.545 1.00 0.00 H new ATOM 109 N LEU A 7 37.542 33.050 50.927 1.00 0.00 N ATOM 110 CA LEU A 7 37.297 34.420 50.507 1.00 0.00 C ATOM 111 C LEU A 7 38.490 34.978 49.638 1.00 0.00 C ATOM 112 O LEU A 7 39.416 34.276 49.239 1.00 0.00 O ATOM 113 CB LEU A 7 36.803 35.376 51.623 1.00 0.00 C ATOM 114 CG LEU A 7 35.459 35.038 52.322 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.561 34.018 53.467 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.842 36.339 52.876 1.00 0.00 C ATOM 0 H LEU A 7 36.881 32.368 50.555 1.00 0.00 H new ATOM 0 HA LEU A 7 36.428 34.380 49.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.576 35.424 52.390 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.716 36.375 51.195 1.00 0.00 H new ATOM 0 HG LEU A 7 34.836 34.573 51.557 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.572 33.848 53.892 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.958 33.078 53.083 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.226 34.404 54.240 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.897 36.112 53.369 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.527 36.790 53.594 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.666 37.036 52.057 1.00 0.00 H new ATOM 128 N GLY A 8 38.329 36.288 49.220 1.00 0.00 N ATOM 129 CA GLY A 8 39.248 36.916 48.278 1.00 0.00 C ATOM 130 C GLY A 8 38.964 36.519 46.786 1.00 0.00 C ATOM 131 O GLY A 8 39.639 37.067 45.916 1.00 0.00 O ATOM 0 H GLY A 8 37.572 36.895 49.535 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.179 37.999 48.379 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.270 36.636 48.534 1.00 0.00 H new ATOM 135 N THR A 9 37.971 35.585 46.506 1.00 0.00 N ATOM 136 CA THR A 9 37.513 34.961 45.231 1.00 0.00 C ATOM 137 C THR A 9 38.000 33.485 45.219 1.00 0.00 C ATOM 138 O THR A 9 37.248 32.578 44.871 1.00 0.00 O ATOM 139 CB THR A 9 37.945 35.658 43.920 1.00 0.00 C ATOM 140 OG1 THR A 9 37.409 36.977 43.788 1.00 0.00 O ATOM 141 CG2 THR A 9 37.551 34.906 42.640 1.00 0.00 C ATOM 0 H THR A 9 37.416 35.219 47.280 1.00 0.00 H new ATOM 0 HA THR A 9 36.427 35.058 45.232 1.00 0.00 H new ATOM 0 HB THR A 9 39.031 35.679 44.013 1.00 0.00 H new ATOM 0 HG1 THR A 9 37.907 37.592 44.366 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.893 35.466 41.769 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.013 33.919 42.641 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.467 34.799 42.600 1.00 0.00 H new ATOM 149 N LYS A 10 39.308 33.271 45.613 1.00 0.00 N ATOM 150 CA LYS A 10 39.962 31.961 45.684 1.00 0.00 C ATOM 151 C LYS A 10 39.158 31.037 46.716 1.00 0.00 C ATOM 152 O LYS A 10 38.927 31.478 47.839 1.00 0.00 O ATOM 153 CB LYS A 10 41.414 32.134 46.202 1.00 0.00 C ATOM 154 CG LYS A 10 42.313 33.237 45.559 1.00 0.00 C ATOM 155 CD LYS A 10 42.361 34.556 46.375 1.00 0.00 C ATOM 156 CE LYS A 10 43.150 35.699 45.705 1.00 0.00 C ATOM 157 NZ LYS A 10 42.708 37.061 46.265 1.00 0.00 N ATOM 0 H LYS A 10 39.924 34.035 45.889 1.00 0.00 H new ATOM 0 HA LYS A 10 39.975 31.505 44.694 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.362 32.333 47.272 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.925 31.179 46.080 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.326 32.850 45.451 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.946 33.454 44.556 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.340 34.894 46.555 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.804 34.349 47.349 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.218 35.559 45.874 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.992 35.674 44.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.533 37.689 46.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 42.006 37.487 45.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.286 36.929 47.206 1.00 0.00 H new ATOM 171 N PRO A 11 38.812 29.706 46.382 1.00 0.00 N ATOM 172 CA PRO A 11 37.983 28.905 47.357 1.00 0.00 C ATOM 173 C PRO A 11 38.625 27.779 48.292 1.00 0.00 C ATOM 174 O PRO A 11 37.882 27.380 49.189 1.00 0.00 O ATOM 175 CB PRO A 11 36.894 28.198 46.510 1.00 0.00 C ATOM 176 CG PRO A 11 36.790 29.067 45.257 1.00 0.00 C ATOM 177 CD PRO A 11 38.253 29.443 45.038 1.00 0.00 C ATOM 0 HA PRO A 11 37.685 29.660 48.085 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.178 27.175 46.265 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.944 28.146 47.042 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.374 28.521 44.410 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.159 29.942 45.414 1.00 0.00 H new ATOM 0 HD2 PRO A 11 38.793 28.637 44.542 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.338 30.323 44.401 1.00 0.00 H new ATOM 185 N PRO A 12 39.965 27.348 48.243 1.00 0.00 N ATOM 186 CA PRO A 12 40.337 26.141 49.041 1.00 0.00 C ATOM 187 C PRO A 12 40.862 26.084 50.520 1.00 0.00 C ATOM 188 O PRO A 12 40.653 25.022 51.113 1.00 0.00 O ATOM 189 CB PRO A 12 41.521 25.532 48.250 1.00 0.00 C ATOM 190 CG PRO A 12 41.243 25.897 46.792 1.00 0.00 C ATOM 191 CD PRO A 12 40.562 27.260 46.907 1.00 0.00 C ATOM 0 HA PRO A 12 39.347 25.700 49.161 1.00 0.00 H new ATOM 0 HB2 PRO A 12 42.474 25.941 48.586 1.00 0.00 H new ATOM 0 HB3 PRO A 12 41.573 24.452 48.385 1.00 0.00 H new ATOM 0 HG2 PRO A 12 42.161 25.952 46.207 1.00 0.00 H new ATOM 0 HG3 PRO A 12 40.599 25.163 46.307 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.284 28.062 46.757 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.797 27.372 46.138 1.00 0.00 H new ATOM 199 N THR A 13 41.586 27.098 51.140 1.00 0.00 N ATOM 200 CA THR A 13 42.156 26.840 52.477 1.00 0.00 C ATOM 201 C THR A 13 41.155 26.996 53.672 1.00 0.00 C ATOM 202 O THR A 13 40.387 27.943 53.810 1.00 0.00 O ATOM 203 CB THR A 13 43.404 27.712 52.801 1.00 0.00 C ATOM 204 OG1 THR A 13 43.296 29.096 52.460 1.00 0.00 O ATOM 205 CG2 THR A 13 44.689 27.202 52.130 1.00 0.00 C ATOM 0 H THR A 13 41.765 28.023 50.750 1.00 0.00 H new ATOM 0 HA THR A 13 42.437 25.790 52.395 1.00 0.00 H new ATOM 0 HB THR A 13 43.455 27.619 53.886 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.523 29.487 52.919 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.521 27.853 52.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 44.899 26.188 52.470 1.00 0.00 H new ATOM 0 HG23 THR A 13 44.559 27.203 51.048 1.00 0.00 H new ATOM 213 N THR A 14 41.311 26.010 54.627 1.00 0.00 N ATOM 214 CA THR A 14 40.712 25.916 55.958 1.00 0.00 C ATOM 215 C THR A 14 41.851 25.632 57.011 1.00 0.00 C ATOM 216 O THR A 14 42.968 25.281 56.628 1.00 0.00 O ATOM 217 CB THR A 14 39.594 24.866 56.034 1.00 0.00 C ATOM 218 OG1 THR A 14 40.122 23.553 55.832 1.00 0.00 O ATOM 219 CG2 THR A 14 38.445 25.162 55.044 1.00 0.00 C ATOM 0 H THR A 14 41.914 25.208 54.442 1.00 0.00 H new ATOM 0 HA THR A 14 40.232 26.867 56.187 1.00 0.00 H new ATOM 0 HB THR A 14 39.168 24.918 57.036 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.396 22.897 55.885 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.679 24.392 55.135 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.010 26.135 55.272 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.834 25.168 54.026 1.00 0.00 H new ATOM 227 N GLU A 15 41.565 25.822 58.356 1.00 0.00 N ATOM 228 CA GLU A 15 42.630 25.652 59.368 1.00 0.00 C ATOM 229 C GLU A 15 42.053 24.768 60.525 1.00 0.00 C ATOM 230 O GLU A 15 41.308 25.233 61.387 1.00 0.00 O ATOM 231 CB GLU A 15 43.212 26.956 59.959 1.00 0.00 C ATOM 232 CG GLU A 15 43.892 27.914 58.957 1.00 0.00 C ATOM 233 CD GLU A 15 44.617 29.058 59.662 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.681 29.243 60.857 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.210 29.864 58.780 1.00 0.00 O ATOM 0 H GLU A 15 40.650 26.079 58.727 1.00 0.00 H new ATOM 0 HA GLU A 15 43.470 25.187 58.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.407 27.496 60.457 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.939 26.690 60.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.602 27.356 58.347 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.142 28.323 58.280 1.00 0.00 H new ATOM 243 N THR A 16 42.433 23.426 60.531 1.00 0.00 N ATOM 244 CA THR A 16 42.116 22.548 61.676 1.00 0.00 C ATOM 245 C THR A 16 43.215 22.928 62.717 1.00 0.00 C ATOM 246 O THR A 16 44.376 22.532 62.604 1.00 0.00 O ATOM 247 CB THR A 16 42.127 21.018 61.395 1.00 0.00 C ATOM 248 OG1 THR A 16 41.047 20.604 60.554 1.00 0.00 O ATOM 249 CG2 THR A 16 42.002 20.171 62.671 1.00 0.00 C ATOM 0 H THR A 16 42.939 22.970 59.772 1.00 0.00 H new ATOM 0 HA THR A 16 41.087 22.710 61.997 1.00 0.00 H new ATOM 0 HB THR A 16 43.090 20.855 60.912 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.100 19.637 60.406 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.016 19.113 62.408 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.837 20.391 63.337 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.065 20.408 63.174 1.00 0.00 H new ATOM 257 N CYS A 17 42.819 23.725 63.781 1.00 0.00 N ATOM 258 CA CYS A 17 43.805 24.310 64.699 1.00 0.00 C ATOM 259 C CYS A 17 43.544 23.870 66.171 1.00 0.00 C ATOM 260 O CYS A 17 42.414 23.694 66.629 1.00 0.00 O ATOM 261 CB CYS A 17 43.706 25.828 64.612 1.00 0.00 C ATOM 262 SG CYS A 17 45.171 26.848 64.916 1.00 0.00 S ATOM 0 H CYS A 17 41.849 23.955 63.996 1.00 0.00 H new ATOM 0 HA CYS A 17 44.797 23.963 64.411 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.342 26.073 63.614 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.938 26.144 65.318 1.00 0.00 H new ATOM 267 N GLN A 18 44.684 23.778 66.933 1.00 0.00 N ATOM 268 CA GLN A 18 44.713 23.497 68.367 1.00 0.00 C ATOM 269 C GLN A 18 45.055 24.799 69.163 1.00 0.00 C ATOM 270 O GLN A 18 44.926 24.806 70.387 1.00 0.00 O ATOM 271 CB GLN A 18 45.636 22.316 68.692 1.00 0.00 C ATOM 272 CG GLN A 18 45.692 21.868 70.168 1.00 0.00 C ATOM 273 CD GLN A 18 46.508 20.578 70.252 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.694 20.525 69.983 1.00 0.00 O ATOM 275 NE2 GLN A 18 45.808 19.490 70.644 1.00 0.00 N ATOM 0 H GLN A 18 45.615 23.904 66.536 1.00 0.00 H new ATOM 0 HA GLN A 18 43.721 23.181 68.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.324 21.463 68.089 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.646 22.576 68.377 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.147 22.645 70.783 1.00 0.00 H new ATOM 0 HG3 GLN A 18 44.685 21.705 70.553 1.00 0.00 H new ATOM 0 HE21 GLN A 18 44.815 19.574 70.861 1.00 0.00 H new ATOM 0 HE22 GLN A 18 46.273 18.586 70.723 1.00 0.00 H new ATOM 284 N GLU A 19 45.491 25.941 68.483 1.00 0.00 N ATOM 285 CA GLU A 19 45.582 27.232 69.166 1.00 0.00 C ATOM 286 C GLU A 19 44.067 27.598 69.379 1.00 0.00 C ATOM 287 O GLU A 19 43.360 27.997 68.458 1.00 0.00 O ATOM 288 CB GLU A 19 46.353 28.304 68.373 1.00 0.00 C ATOM 289 CG GLU A 19 46.406 29.663 69.101 1.00 0.00 C ATOM 290 CD GLU A 19 47.559 30.598 68.730 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.234 31.222 69.528 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.740 30.665 67.411 1.00 0.00 O ATOM 0 H GLU A 19 45.766 25.956 67.501 1.00 0.00 H new ATOM 0 HA GLU A 19 46.156 27.181 70.091 1.00 0.00 H new ATOM 0 HB2 GLU A 19 47.369 27.954 68.191 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.883 28.437 67.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 45.469 30.187 68.912 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.454 29.473 70.173 1.00 0.00 H new ATOM 300 N ASP A 20 43.615 27.460 70.683 1.00 0.00 N ATOM 301 CA ASP A 20 42.272 27.519 71.259 1.00 0.00 C ATOM 302 C ASP A 20 41.402 28.784 70.923 1.00 0.00 C ATOM 303 O ASP A 20 40.303 28.891 71.475 1.00 0.00 O ATOM 304 CB ASP A 20 41.470 26.205 71.234 1.00 0.00 C ATOM 305 CG ASP A 20 40.839 25.699 69.918 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.680 26.497 68.990 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.478 24.516 69.958 1.00 0.00 O ATOM 0 H ASP A 20 44.296 27.284 71.422 1.00 0.00 H new ATOM 0 HA ASP A 20 42.534 27.668 72.306 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.130 25.418 71.598 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.663 26.306 71.960 1.00 0.00 H new ATOM 312 N SER A 21 41.874 29.793 70.109 1.00 0.00 N ATOM 313 CA SER A 21 41.027 30.913 69.716 1.00 0.00 C ATOM 314 C SER A 21 41.454 31.350 68.288 1.00 0.00 C ATOM 315 O SER A 21 42.618 31.252 67.884 1.00 0.00 O ATOM 316 CB SER A 21 41.037 32.146 70.643 1.00 0.00 C ATOM 317 OG SER A 21 42.210 32.949 70.626 1.00 0.00 O ATOM 0 H SER A 21 42.822 29.828 69.734 1.00 0.00 H new ATOM 0 HA SER A 21 40.004 30.542 69.774 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.189 32.777 70.378 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.873 31.804 71.665 1.00 0.00 H new ATOM 0 HG SER A 21 42.779 32.712 71.388 1.00 0.00 H new ATOM 323 N CYS A 22 40.438 31.847 67.495 1.00 0.00 N ATOM 324 CA CYS A 22 40.768 32.273 66.151 1.00 0.00 C ATOM 325 C CYS A 22 40.019 33.556 65.743 1.00 0.00 C ATOM 326 O CYS A 22 38.903 33.860 66.163 1.00 0.00 O ATOM 327 CB CYS A 22 40.602 31.159 65.091 1.00 0.00 C ATOM 328 SG CYS A 22 38.906 30.748 64.600 1.00 0.00 S ATOM 0 H CYS A 22 39.461 31.945 67.770 1.00 0.00 H new ATOM 0 HA CYS A 22 41.832 32.508 66.179 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.153 31.454 64.198 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.075 30.254 65.472 1.00 0.00 H new ATOM 333 N TYR A 23 40.714 34.304 64.816 1.00 0.00 N ATOM 334 CA TYR A 23 40.350 35.687 64.546 1.00 0.00 C ATOM 335 C TYR A 23 39.807 35.938 63.131 1.00 0.00 C ATOM 336 O TYR A 23 40.019 35.180 62.185 1.00 0.00 O ATOM 337 CB TYR A 23 41.594 36.609 64.783 1.00 0.00 C ATOM 338 CG TYR A 23 42.779 36.395 63.855 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.759 36.783 62.518 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.972 35.865 64.340 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.881 36.687 61.711 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.113 35.765 63.554 1.00 0.00 C ATOM 343 CZ TYR A 23 45.091 36.189 62.225 1.00 0.00 C ATOM 344 OH TYR A 23 46.175 36.133 61.404 1.00 0.00 O ATOM 0 H TYR A 23 41.504 33.956 64.272 1.00 0.00 H new ATOM 0 HA TYR A 23 39.537 35.920 65.234 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.273 37.647 64.693 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.934 36.468 65.809 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.842 37.170 62.098 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.011 35.520 65.363 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.826 36.997 60.678 1.00 0.00 H new ATOM 0 HE2 TYR A 23 46.021 35.357 63.973 1.00 0.00 H new ATOM 0 HH TYR A 23 46.940 35.768 61.896 1.00 0.00 H new ATOM 354 N LYS A 24 39.088 37.112 63.074 1.00 0.00 N ATOM 355 CA LYS A 24 38.382 37.652 61.914 1.00 0.00 C ATOM 356 C LYS A 24 39.139 38.999 61.637 1.00 0.00 C ATOM 357 O LYS A 24 39.057 40.001 62.343 1.00 0.00 O ATOM 358 CB LYS A 24 36.874 37.775 62.209 1.00 0.00 C ATOM 359 CG LYS A 24 36.261 36.437 62.706 1.00 0.00 C ATOM 360 CD LYS A 24 34.727 36.264 62.660 1.00 0.00 C ATOM 361 CE LYS A 24 34.316 34.964 63.407 1.00 0.00 C ATOM 362 NZ LYS A 24 33.259 34.119 62.699 1.00 0.00 N ATOM 0 H LYS A 24 38.997 37.717 63.890 1.00 0.00 H new ATOM 0 HA LYS A 24 38.396 37.025 61.022 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.715 38.547 62.962 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.354 38.098 61.307 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.703 35.632 62.118 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.580 36.290 63.738 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.242 37.126 63.118 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.388 36.221 61.625 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.206 34.353 63.559 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.942 35.233 64.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.378 33.121 62.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.311 34.442 62.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.367 34.219 61.669 1.00 0.00 H new ATOM 376 N ASN A 25 39.937 38.964 60.514 1.00 0.00 N ATOM 377 CA ASN A 25 40.900 39.993 60.072 1.00 0.00 C ATOM 378 C ASN A 25 40.280 40.497 58.712 1.00 0.00 C ATOM 379 O ASN A 25 40.099 39.741 57.761 1.00 0.00 O ATOM 380 CB ASN A 25 42.250 39.298 59.978 1.00 0.00 C ATOM 381 CG ASN A 25 43.388 40.127 59.448 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.378 40.429 60.085 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.223 40.499 58.173 1.00 0.00 N ATOM 0 H ASN A 25 39.911 38.171 59.874 1.00 0.00 H new ATOM 0 HA ASN A 25 41.063 40.856 60.718 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.521 38.939 60.971 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.140 38.420 59.341 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.941 41.053 57.707 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.379 40.228 57.668 1.00 0.00 H new ATOM 390 N ILE A 26 39.967 41.855 58.643 1.00 0.00 N ATOM 391 CA ILE A 26 38.890 42.373 57.742 1.00 0.00 C ATOM 392 C ILE A 26 39.297 43.432 56.643 1.00 0.00 C ATOM 393 O ILE A 26 38.527 43.761 55.743 1.00 0.00 O ATOM 394 CB ILE A 26 37.787 42.981 58.649 1.00 0.00 C ATOM 395 CG1 ILE A 26 38.042 44.412 59.209 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.385 42.021 59.791 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.028 44.596 60.386 1.00 0.00 C ATOM 0 H ILE A 26 40.439 42.575 59.190 1.00 0.00 H new ATOM 0 HA ILE A 26 38.570 41.513 57.153 1.00 0.00 H new ATOM 0 HB ILE A 26 36.957 43.109 57.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 38.397 45.029 58.384 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.080 44.819 59.520 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.611 42.486 60.401 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.004 41.091 59.368 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.256 41.808 60.410 1.00 0.00 H new ATOM 0 HD11 ILE A 26 39.087 45.652 60.650 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.678 44.026 61.247 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.015 44.240 60.093 1.00 0.00 H new ATOM 409 N TRP A 27 40.544 43.974 56.780 1.00 0.00 N ATOM 410 CA TRP A 27 41.344 44.987 56.068 1.00 0.00 C ATOM 411 C TRP A 27 42.413 44.338 55.125 1.00 0.00 C ATOM 412 O TRP A 27 43.442 44.977 54.890 1.00 0.00 O ATOM 413 CB TRP A 27 42.066 45.851 57.172 1.00 0.00 C ATOM 414 CG TRP A 27 42.544 45.025 58.340 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.720 43.616 58.353 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.602 45.386 59.683 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.708 43.106 59.617 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.663 44.218 60.441 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.419 46.616 60.361 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.520 44.164 61.789 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.291 46.603 61.741 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.338 45.385 62.453 1.00 0.00 C ATOM 0 H TRP A 27 41.108 43.626 57.555 1.00 0.00 H new ATOM 0 HA TRP A 27 40.693 45.590 55.435 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.916 46.366 56.725 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.381 46.619 57.532 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.849 43.017 57.463 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.728 42.125 59.894 1.00 0.00 H new ATOM 0 HE3 TRP A 27 42.380 47.546 59.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.545 43.226 62.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.154 47.531 62.275 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.232 45.394 63.528 1.00 0.00 H new ATOM 433 N THR A 28 42.219 43.084 54.554 1.00 0.00 N ATOM 434 CA THR A 28 43.317 42.524 53.748 1.00 0.00 C ATOM 435 C THR A 28 43.389 43.156 52.315 1.00 0.00 C ATOM 436 O THR A 28 42.592 44.007 51.935 1.00 0.00 O ATOM 437 CB THR A 28 43.398 40.958 53.683 1.00 0.00 C ATOM 438 OG1 THR A 28 44.741 40.489 53.561 1.00 0.00 O ATOM 439 CG2 THR A 28 42.637 40.172 54.769 1.00 0.00 C ATOM 0 H THR A 28 41.381 42.508 54.640 1.00 0.00 H new ATOM 0 HA THR A 28 44.205 42.818 54.307 1.00 0.00 H new ATOM 0 HB THR A 28 42.850 40.737 52.767 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.908 39.796 54.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.775 39.103 54.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.021 40.444 55.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.575 40.412 54.715 1.00 0.00 H new ATOM 447 N PHE A 29 44.421 42.688 51.522 1.00 0.00 N ATOM 448 CA PHE A 29 44.685 43.198 50.170 1.00 0.00 C ATOM 449 C PHE A 29 43.449 42.976 49.271 1.00 0.00 C ATOM 450 O PHE A 29 43.070 43.859 48.502 1.00 0.00 O ATOM 451 CB PHE A 29 45.893 42.493 49.510 1.00 0.00 C ATOM 452 CG PHE A 29 47.028 42.426 50.507 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.552 43.593 51.073 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.465 41.195 51.003 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.454 43.538 52.133 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.372 41.123 52.059 1.00 0.00 C ATOM 457 CZ PHE A 29 48.859 42.299 52.642 1.00 0.00 C ATOM 0 H PHE A 29 45.069 41.958 51.820 1.00 0.00 H new ATOM 0 HA PHE A 29 44.908 44.260 50.269 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.614 41.489 49.189 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.206 43.037 48.619 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.252 44.554 50.681 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.093 40.283 50.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.840 44.451 52.562 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.699 40.162 52.427 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.542 42.250 53.478 1.00 0.00 H new ATOM 467 N ASP A 30 42.835 41.743 49.370 1.00 0.00 N ATOM 468 CA ASP A 30 41.663 41.383 48.595 1.00 0.00 C ATOM 469 C ASP A 30 40.397 42.212 49.095 1.00 0.00 C ATOM 470 O ASP A 30 39.324 42.016 48.527 1.00 0.00 O ATOM 471 CB ASP A 30 41.408 39.859 48.670 1.00 0.00 C ATOM 472 CG ASP A 30 42.525 38.892 48.189 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.239 39.259 47.254 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.540 37.787 48.749 1.00 0.00 O ATOM 0 H ASP A 30 43.161 41.003 49.992 1.00 0.00 H new ATOM 0 HA ASP A 30 41.839 41.636 47.549 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.181 39.612 49.707 1.00 0.00 H new ATOM 0 HB3 ASP A 30 40.512 39.645 48.088 1.00 0.00 H new ATOM 479 N ASN A 31 40.488 43.143 50.136 1.00 0.00 N ATOM 480 CA ASN A 31 39.413 43.974 50.701 1.00 0.00 C ATOM 481 C ASN A 31 38.378 42.950 51.226 1.00 0.00 C ATOM 482 O ASN A 31 37.289 42.801 50.675 1.00 0.00 O ATOM 483 CB ASN A 31 38.879 45.078 49.794 1.00 0.00 C ATOM 484 CG ASN A 31 39.793 46.293 49.886 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.595 47.210 50.663 1.00 0.00 O ATOM 486 ND2 ASN A 31 40.860 46.276 49.058 1.00 0.00 N ATOM 0 H ASN A 31 41.378 43.316 50.604 1.00 0.00 H new ATOM 0 HA ASN A 31 39.777 44.609 51.509 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.827 44.725 48.764 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.865 45.348 50.089 1.00 0.00 H new ATOM 0 HD21 ASN A 31 41.529 47.046 49.072 1.00 0.00 H new ATOM 0 HD22 ASN A 31 40.997 45.493 48.419 1.00 0.00 H new ATOM 493 N ILE A 32 38.740 42.282 52.401 1.00 0.00 N ATOM 494 CA ILE A 32 38.004 41.062 52.684 1.00 0.00 C ATOM 495 C ILE A 32 38.185 40.499 54.131 1.00 0.00 C ATOM 496 O ILE A 32 39.120 40.841 54.850 1.00 0.00 O ATOM 497 CB ILE A 32 38.512 39.951 51.715 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.548 38.805 51.386 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.849 39.363 52.216 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.348 39.202 50.514 1.00 0.00 C ATOM 0 H ILE A 32 39.458 42.560 53.070 1.00 0.00 H new ATOM 0 HA ILE A 32 36.952 41.320 52.563 1.00 0.00 H new ATOM 0 HB ILE A 32 38.626 40.487 50.773 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.103 38.017 50.878 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.177 38.382 52.320 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.187 38.589 51.527 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.597 40.154 52.269 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.708 38.930 53.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.723 38.327 50.334 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.763 39.966 51.026 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.704 39.595 49.562 1.00 0.00 H new ATOM 512 N ILE A 33 37.262 39.527 54.489 1.00 0.00 N ATOM 513 CA ILE A 33 37.335 38.749 55.739 1.00 0.00 C ATOM 514 C ILE A 33 38.240 37.505 55.372 1.00 0.00 C ATOM 515 O ILE A 33 37.764 36.507 54.834 1.00 0.00 O ATOM 516 CB ILE A 33 35.959 38.314 56.275 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.871 39.419 56.348 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.065 37.552 57.612 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.113 40.555 57.350 1.00 0.00 C ATOM 0 H ILE A 33 36.462 39.282 53.906 1.00 0.00 H new ATOM 0 HA ILE A 33 37.746 39.349 56.550 1.00 0.00 H new ATOM 0 HB ILE A 33 35.602 37.632 55.504 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.763 39.857 55.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 33.920 38.946 56.593 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.068 37.267 57.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.671 36.657 57.473 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.531 38.193 58.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.284 41.262 57.306 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.186 40.143 58.357 1.00 0.00 H new ATOM 0 HD13 ILE A 33 36.041 41.069 57.100 1.00 0.00 H new ATOM 531 N ARG A 34 39.594 37.561 55.660 1.00 0.00 N ATOM 532 CA ARG A 34 40.518 36.461 55.306 1.00 0.00 C ATOM 533 C ARG A 34 41.562 36.460 56.462 1.00 0.00 C ATOM 534 O ARG A 34 42.157 37.469 56.837 1.00 0.00 O ATOM 535 CB ARG A 34 41.133 36.604 53.907 1.00 0.00 C ATOM 536 CG ARG A 34 41.979 35.439 53.365 1.00 0.00 C ATOM 537 CD ARG A 34 42.279 35.597 51.859 1.00 0.00 C ATOM 538 NE ARG A 34 42.888 36.849 51.349 1.00 0.00 N ATOM 539 CZ ARG A 34 43.901 37.535 51.849 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.340 37.340 53.061 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.478 38.425 51.088 1.00 0.00 N ATOM 0 H ARG A 34 40.042 38.349 56.128 1.00 0.00 H new ATOM 0 HA ARG A 34 40.006 35.502 55.226 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.321 36.782 53.202 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.757 37.498 53.907 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.917 35.383 53.918 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.453 34.499 53.534 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.937 34.777 51.572 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.340 35.453 51.325 1.00 0.00 H new ATOM 0 HE ARG A 34 42.470 37.231 50.501 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.899 36.639 53.657 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.124 37.888 53.414 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.144 38.575 50.136 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.262 38.970 51.446 1.00 0.00 H new ATOM 555 N ARG A 35 41.752 35.215 57.072 1.00 0.00 N ATOM 556 CA ARG A 35 42.043 35.233 58.491 1.00 0.00 C ATOM 557 C ARG A 35 42.522 33.865 59.077 1.00 0.00 C ATOM 558 O ARG A 35 42.931 32.975 58.333 1.00 0.00 O ATOM 559 CB ARG A 35 40.755 35.776 59.164 1.00 0.00 C ATOM 560 CG ARG A 35 39.409 35.039 58.906 1.00 0.00 C ATOM 561 CD ARG A 35 39.436 33.540 59.193 1.00 0.00 C ATOM 562 NE ARG A 35 38.296 32.692 58.785 1.00 0.00 N ATOM 563 CZ ARG A 35 37.028 32.761 59.127 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.454 33.876 59.457 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.321 31.664 59.111 1.00 0.00 N ATOM 0 H ARG A 35 41.706 34.301 56.621 1.00 0.00 H new ATOM 0 HA ARG A 35 42.903 35.871 58.694 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.924 35.787 60.241 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.630 36.812 58.850 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.635 35.499 59.521 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.121 35.191 57.866 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.329 33.134 58.718 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.564 33.417 60.269 1.00 0.00 H new ATOM 0 HE ARG A 35 38.529 31.938 58.139 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.989 34.744 59.458 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.467 33.885 59.716 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.754 30.782 58.838 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.335 31.689 59.372 1.00 0.00 H new ATOM 579 N GLY A 36 42.524 33.735 60.465 1.00 0.00 N ATOM 580 CA GLY A 36 43.086 32.473 60.971 1.00 0.00 C ATOM 581 C GLY A 36 43.343 32.374 62.488 1.00 0.00 C ATOM 582 O GLY A 36 42.865 33.185 63.270 1.00 0.00 O ATOM 0 H GLY A 36 42.184 34.409 61.151 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.410 31.665 60.690 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.030 32.293 60.456 1.00 0.00 H new ATOM 586 N CYS A 37 44.122 31.300 62.897 1.00 0.00 N ATOM 587 CA CYS A 37 44.409 31.060 64.316 1.00 0.00 C ATOM 588 C CYS A 37 45.350 32.169 64.894 1.00 0.00 C ATOM 589 O CYS A 37 46.447 32.443 64.411 1.00 0.00 O ATOM 590 CB CYS A 37 45.086 29.703 64.566 1.00 0.00 C ATOM 591 SG CYS A 37 43.841 28.404 64.487 1.00 0.00 S ATOM 0 H CYS A 37 44.538 30.621 62.260 1.00 0.00 H new ATOM 0 HA CYS A 37 43.440 31.072 64.814 1.00 0.00 H new ATOM 0 HB2 CYS A 37 45.862 29.527 63.821 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.573 29.699 65.541 1.00 0.00 H new ATOM 596 N GLY A 38 44.849 32.850 66.001 1.00 0.00 N ATOM 597 CA GLY A 38 45.740 33.740 66.735 1.00 0.00 C ATOM 598 C GLY A 38 44.950 34.146 68.010 1.00 0.00 C ATOM 599 O GLY A 38 44.694 33.325 68.888 1.00 0.00 O ATOM 0 H GLY A 38 43.895 32.784 66.356 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.673 33.239 66.993 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.002 34.614 66.139 1.00 0.00 H new ATOM 603 N CYS A 39 44.548 35.476 68.085 1.00 0.00 N ATOM 604 CA CYS A 39 43.682 36.032 69.139 1.00 0.00 C ATOM 605 C CYS A 39 44.436 36.231 70.487 1.00 0.00 C ATOM 606 O CYS A 39 44.246 37.232 71.176 1.00 0.00 O ATOM 607 CB CYS A 39 43.061 37.338 68.617 1.00 0.00 C ATOM 608 SG CYS A 39 41.757 38.137 69.622 1.00 0.00 S ATOM 0 H CYS A 39 44.834 36.172 67.397 1.00 0.00 H new ATOM 0 HA CYS A 39 42.888 35.320 69.364 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.867 38.060 68.483 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.645 37.138 67.630 1.00 0.00 H new ATOM 613 N PHE A 40 45.291 35.214 70.868 1.00 0.00 N ATOM 614 CA PHE A 40 46.197 35.293 72.014 1.00 0.00 C ATOM 615 C PHE A 40 47.385 36.208 71.483 1.00 0.00 C ATOM 616 O PHE A 40 48.535 35.782 71.451 1.00 0.00 O ATOM 617 CB PHE A 40 46.637 33.865 72.441 1.00 0.00 C ATOM 618 CG PHE A 40 45.538 32.795 72.576 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.283 33.024 73.153 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.784 31.501 72.092 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.320 32.015 73.239 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.828 30.489 72.153 1.00 0.00 C ATOM 623 CZ PHE A 40 43.593 30.737 72.752 1.00 0.00 C ATOM 0 H PHE A 40 45.349 34.326 70.369 1.00 0.00 H new ATOM 0 HA PHE A 40 45.757 35.719 72.916 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.368 33.507 71.716 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.150 33.943 73.399 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.053 34.005 73.541 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.748 31.282 71.657 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.359 32.226 73.685 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.043 29.515 71.738 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.858 29.950 72.837 1.00 0.00 H new ATOM 633 N THR A 41 47.058 37.495 71.049 1.00 0.00 N ATOM 634 CA THR A 41 47.983 38.420 70.366 1.00 0.00 C ATOM 635 C THR A 41 49.016 38.995 71.408 1.00 0.00 C ATOM 636 O THR A 41 48.620 39.551 72.433 1.00 0.00 O ATOM 637 CB THR A 41 47.259 39.646 69.730 1.00 0.00 C ATOM 638 OG1 THR A 41 46.473 40.388 70.667 1.00 0.00 O ATOM 639 CG2 THR A 41 48.150 40.582 68.895 1.00 0.00 C ATOM 0 H THR A 41 46.128 37.892 71.180 1.00 0.00 H new ATOM 0 HA THR A 41 48.463 37.842 69.576 1.00 0.00 H new ATOM 0 HB THR A 41 46.581 39.178 69.016 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.822 40.246 71.572 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.548 41.400 68.499 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.943 40.986 69.524 1.00 0.00 H new ATOM 0 HG23 THR A 41 48.591 40.024 68.069 1.00 0.00 H new ATOM 647 N PRO A 42 50.374 38.982 71.070 1.00 0.00 N ATOM 648 CA PRO A 42 51.388 39.624 71.939 1.00 0.00 C ATOM 649 C PRO A 42 51.233 41.167 71.687 1.00 0.00 C ATOM 650 O PRO A 42 51.801 41.744 70.762 1.00 0.00 O ATOM 651 CB PRO A 42 52.742 39.026 71.514 1.00 0.00 C ATOM 652 CG PRO A 42 52.331 37.632 71.023 1.00 0.00 C ATOM 653 CD PRO A 42 51.034 37.941 70.272 1.00 0.00 C ATOM 0 HA PRO A 42 51.287 39.456 73.011 1.00 0.00 H new ATOM 0 HB2 PRO A 42 53.219 39.612 70.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 53.445 38.976 72.345 1.00 0.00 H new ATOM 0 HG2 PRO A 42 53.085 37.188 70.373 1.00 0.00 H new ATOM 0 HG3 PRO A 42 52.172 36.937 71.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 51.237 38.289 69.259 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.407 37.054 70.184 1.00 0.00 H new ATOM 661 N ARG A 43 50.431 41.855 72.587 1.00 0.00 N ATOM 662 CA ARG A 43 50.122 43.288 72.447 1.00 0.00 C ATOM 663 C ARG A 43 51.105 44.129 73.332 1.00 0.00 C ATOM 664 O ARG A 43 50.959 44.223 74.551 1.00 0.00 O ATOM 665 CB ARG A 43 48.644 43.590 72.830 1.00 0.00 C ATOM 666 CG ARG A 43 48.107 43.057 74.187 1.00 0.00 C ATOM 667 CD ARG A 43 46.749 43.653 74.625 1.00 0.00 C ATOM 668 NE ARG A 43 46.590 45.094 74.951 1.00 0.00 N ATOM 669 CZ ARG A 43 47.345 45.902 75.685 1.00 0.00 C ATOM 670 NH1 ARG A 43 48.569 45.617 76.032 1.00 0.00 N ATOM 671 NH2 ARG A 43 46.832 47.035 76.098 1.00 0.00 N ATOM 0 H ARG A 43 50.002 41.419 73.403 1.00 0.00 H new ATOM 0 HA ARG A 43 50.252 43.568 71.402 1.00 0.00 H new ATOM 0 HB2 ARG A 43 48.514 44.672 72.824 1.00 0.00 H new ATOM 0 HB3 ARG A 43 48.008 43.188 72.041 1.00 0.00 H new ATOM 0 HG2 ARG A 43 48.009 41.973 74.123 1.00 0.00 H new ATOM 0 HG3 ARG A 43 48.846 43.265 74.961 1.00 0.00 H new ATOM 0 HD2 ARG A 43 46.037 43.430 73.830 1.00 0.00 H new ATOM 0 HD3 ARG A 43 46.430 43.095 75.505 1.00 0.00 H new ATOM 0 HE ARG A 43 45.765 45.535 74.544 1.00 0.00 H new ATOM 0 HH11 ARG A 43 48.991 44.736 75.738 1.00 0.00 H new ATOM 0 HH12 ARG A 43 49.105 46.275 76.598 1.00 0.00 H new ATOM 0 HH21 ARG A 43 45.872 47.279 75.854 1.00 0.00 H new ATOM 0 HH22 ARG A 43 47.393 47.673 76.663 1.00 0.00 H new ATOM 685 N GLY A 44 52.118 44.826 72.679 1.00 0.00 N ATOM 686 CA GLY A 44 52.922 45.832 73.395 1.00 0.00 C ATOM 687 C GLY A 44 52.148 47.171 73.316 1.00 0.00 C ATOM 688 O GLY A 44 52.667 48.147 72.784 1.00 0.00 O ATOM 0 H GLY A 44 52.367 44.697 71.698 1.00 0.00 H new ATOM 0 HA2 GLY A 44 53.075 45.536 74.433 1.00 0.00 H new ATOM 0 HA3 GLY A 44 53.909 45.930 72.943 1.00 0.00 H new ATOM 692 N ASP A 45 50.866 47.176 73.844 1.00 0.00 N ATOM 693 CA ASP A 45 49.916 48.289 73.769 1.00 0.00 C ATOM 694 C ASP A 45 49.840 48.696 72.260 1.00 0.00 C ATOM 695 O ASP A 45 49.939 49.858 71.877 1.00 0.00 O ATOM 696 CB ASP A 45 50.101 49.405 74.837 1.00 0.00 C ATOM 697 CG ASP A 45 49.296 48.935 76.083 1.00 0.00 C ATOM 698 OD1 ASP A 45 49.796 47.997 76.716 1.00 0.00 O ATOM 699 OD2 ASP A 45 48.179 49.437 76.230 1.00 0.00 O ATOM 0 H ASP A 45 50.485 46.370 74.340 1.00 0.00 H new ATOM 0 HA ASP A 45 48.917 47.986 74.084 1.00 0.00 H new ATOM 0 HB2 ASP A 45 51.154 49.542 75.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 49.731 50.363 74.470 1.00 0.00 H new ATOM 704 N MET A 46 49.538 47.638 71.416 1.00 0.00 N ATOM 705 CA MET A 46 49.482 47.731 69.960 1.00 0.00 C ATOM 706 C MET A 46 48.328 46.745 69.506 1.00 0.00 C ATOM 707 O MET A 46 48.393 45.541 69.753 1.00 0.00 O ATOM 708 CB MET A 46 50.817 47.359 69.292 1.00 0.00 C ATOM 709 CG MET A 46 50.780 47.245 67.763 1.00 0.00 C ATOM 710 SD MET A 46 50.157 48.718 66.914 1.00 0.00 S ATOM 711 CE MET A 46 50.444 48.120 65.235 1.00 0.00 C ATOM 0 H MET A 46 49.330 46.702 71.764 1.00 0.00 H new ATOM 0 HA MET A 46 49.285 48.758 69.654 1.00 0.00 H new ATOM 0 HB2 MET A 46 51.561 48.107 69.565 1.00 0.00 H new ATOM 0 HB3 MET A 46 51.156 46.408 69.702 1.00 0.00 H new ATOM 0 HG2 MET A 46 51.787 47.032 67.403 1.00 0.00 H new ATOM 0 HG3 MET A 46 50.157 46.393 67.490 1.00 0.00 H new ATOM 0 HE1 MET A 46 50.128 48.879 64.519 1.00 0.00 H new ATOM 0 HE2 MET A 46 51.505 47.913 65.099 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.872 47.206 65.071 1.00 0.00 H new ATOM 721 N PRO A 47 47.256 47.278 68.780 1.00 0.00 N ATOM 722 CA PRO A 47 46.107 46.489 68.305 1.00 0.00 C ATOM 723 C PRO A 47 46.341 45.246 67.385 1.00 0.00 C ATOM 724 O PRO A 47 47.402 45.040 66.806 1.00 0.00 O ATOM 725 CB PRO A 47 45.325 47.537 67.489 1.00 0.00 C ATOM 726 CG PRO A 47 45.394 48.746 68.428 1.00 0.00 C ATOM 727 CD PRO A 47 46.860 48.691 68.873 1.00 0.00 C ATOM 0 HA PRO A 47 45.644 46.027 69.177 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.788 47.738 66.523 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.299 47.225 67.292 1.00 0.00 H new ATOM 0 HG2 PRO A 47 45.153 49.678 67.917 1.00 0.00 H new ATOM 0 HG3 PRO A 47 44.705 48.655 69.268 1.00 0.00 H new ATOM 0 HD2 PRO A 47 47.486 49.315 68.235 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.973 49.062 69.892 1.00 0.00 H new ATOM 735 N GLY A 48 45.225 44.427 67.266 1.00 0.00 N ATOM 736 CA GLY A 48 45.204 43.210 66.444 1.00 0.00 C ATOM 737 C GLY A 48 43.768 42.847 65.974 1.00 0.00 C ATOM 738 O GLY A 48 42.808 43.538 66.309 1.00 0.00 O ATOM 0 H GLY A 48 44.343 44.615 67.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.845 43.350 65.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.619 42.380 67.016 1.00 0.00 H new ATOM 742 N PRO A 49 43.623 41.669 65.250 1.00 0.00 N ATOM 743 CA PRO A 49 42.282 41.256 64.808 1.00 0.00 C ATOM 744 C PRO A 49 41.315 40.915 65.959 1.00 0.00 C ATOM 745 O PRO A 49 41.694 40.480 67.045 1.00 0.00 O ATOM 746 CB PRO A 49 42.525 39.989 63.990 1.00 0.00 C ATOM 747 CG PRO A 49 43.792 40.421 63.266 1.00 0.00 C ATOM 748 CD PRO A 49 44.618 40.976 64.429 1.00 0.00 C ATOM 0 HA PRO A 49 41.811 42.075 64.264 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.674 39.107 64.612 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.705 39.763 63.308 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.288 39.587 62.769 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.595 41.175 62.504 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.115 40.181 64.985 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.396 41.656 64.081 1.00 0.00 H new ATOM 756 N TYR A 50 39.984 41.091 65.631 1.00 0.00 N ATOM 757 CA TYR A 50 38.947 40.790 66.634 1.00 0.00 C ATOM 758 C TYR A 50 38.626 39.259 66.528 1.00 0.00 C ATOM 759 O TYR A 50 38.477 38.709 65.436 1.00 0.00 O ATOM 760 CB TYR A 50 37.635 41.660 66.598 1.00 0.00 C ATOM 761 CG TYR A 50 36.669 41.238 65.520 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.726 41.764 64.233 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.687 40.283 65.784 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.852 41.344 63.244 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.807 39.843 64.807 1.00 0.00 C ATOM 766 CZ TYR A 50 34.872 40.377 63.516 1.00 0.00 C ATOM 767 OH TYR A 50 34.034 39.983 62.509 1.00 0.00 O ATOM 0 H TYR A 50 39.640 41.421 64.729 1.00 0.00 H new ATOM 0 HA TYR A 50 39.366 41.066 67.602 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.139 41.596 67.566 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.904 42.705 66.446 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.467 42.515 64.001 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.610 39.874 66.780 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.926 41.765 62.252 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.072 39.088 65.043 1.00 0.00 H new ATOM 0 HH TYR A 50 33.410 39.308 62.848 1.00 0.00 H new ATOM 777 N CYS A 51 38.526 38.544 67.715 1.00 0.00 N ATOM 778 CA CYS A 51 38.373 37.085 67.698 1.00 0.00 C ATOM 779 C CYS A 51 37.179 36.494 68.492 1.00 0.00 C ATOM 780 O CYS A 51 36.480 37.152 69.255 1.00 0.00 O ATOM 781 CB CYS A 51 39.691 36.388 68.161 1.00 0.00 C ATOM 782 SG CYS A 51 40.352 36.679 69.839 1.00 0.00 S ATOM 0 H CYS A 51 38.551 38.962 68.645 1.00 0.00 H new ATOM 0 HA CYS A 51 38.145 36.872 66.653 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.541 35.313 68.056 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.471 36.672 67.454 1.00 0.00 H new ATOM 787 N CYS A 52 37.005 35.155 68.221 1.00 0.00 N ATOM 788 CA CYS A 52 36.019 34.287 68.838 1.00 0.00 C ATOM 789 C CYS A 52 36.713 32.980 69.348 1.00 0.00 C ATOM 790 O CYS A 52 37.751 32.552 68.839 1.00 0.00 O ATOM 791 CB CYS A 52 34.944 33.926 67.821 1.00 0.00 C ATOM 792 SG CYS A 52 33.360 33.473 68.589 1.00 0.00 S ATOM 0 H CYS A 52 37.583 34.665 67.539 1.00 0.00 H new ATOM 0 HA CYS A 52 35.561 34.807 69.680 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.788 34.771 67.151 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.295 33.095 67.209 1.00 0.00 H new ATOM 797 N GLU A 53 36.057 32.304 70.354 1.00 0.00 N ATOM 798 CA GLU A 53 36.532 31.004 70.839 1.00 0.00 C ATOM 799 C GLU A 53 35.286 30.076 70.886 1.00 0.00 C ATOM 800 O GLU A 53 34.926 29.505 71.910 1.00 0.00 O ATOM 801 CB GLU A 53 37.427 31.097 72.095 1.00 0.00 C ATOM 802 CG GLU A 53 37.042 32.029 73.269 1.00 0.00 C ATOM 803 CD GLU A 53 38.332 32.506 73.941 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.986 33.467 73.576 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.675 31.726 74.969 1.00 0.00 O ATOM 0 H GLU A 53 35.218 32.649 70.821 1.00 0.00 H new ATOM 0 HA GLU A 53 37.252 30.543 70.163 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.517 30.089 72.501 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.420 31.396 71.760 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.465 32.880 72.906 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.413 31.499 73.985 1.00 0.00 H new ATOM 813 N SER A 54 34.669 29.909 69.657 1.00 0.00 N ATOM 814 CA SER A 54 33.508 29.057 69.417 1.00 0.00 C ATOM 815 C SER A 54 33.583 28.524 67.940 1.00 0.00 C ATOM 816 O SER A 54 34.240 29.124 67.089 1.00 0.00 O ATOM 817 CB SER A 54 32.130 29.714 69.694 1.00 0.00 C ATOM 818 OG SER A 54 31.013 28.836 69.598 1.00 0.00 O ATOM 0 H SER A 54 34.994 30.384 68.815 1.00 0.00 H new ATOM 0 HA SER A 54 33.563 28.245 70.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.146 30.149 70.693 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.988 30.535 68.992 1.00 0.00 H new ATOM 0 HG SER A 54 30.190 29.332 69.789 1.00 0.00 H new ATOM 824 N ASP A 55 32.928 27.332 67.654 1.00 0.00 N ATOM 825 CA ASP A 55 33.080 26.705 66.327 1.00 0.00 C ATOM 826 C ASP A 55 32.393 27.615 65.244 1.00 0.00 C ATOM 827 O ASP A 55 31.192 27.878 65.273 1.00 0.00 O ATOM 828 CB ASP A 55 32.484 25.282 66.264 1.00 0.00 C ATOM 829 CG ASP A 55 32.816 24.609 64.909 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.007 24.653 64.572 1.00 0.00 O ATOM 831 OD2 ASP A 55 31.874 24.117 64.283 1.00 0.00 O ATOM 0 H ASP A 55 32.326 26.829 68.305 1.00 0.00 H new ATOM 0 HA ASP A 55 34.148 26.610 66.131 1.00 0.00 H new ATOM 0 HB2 ASP A 55 32.880 24.680 67.082 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.403 25.329 66.397 1.00 0.00 H new ATOM 836 N LYS A 56 33.235 28.100 64.247 1.00 0.00 N ATOM 837 CA LYS A 56 32.876 28.923 63.088 1.00 0.00 C ATOM 838 C LYS A 56 32.570 30.381 63.565 1.00 0.00 C ATOM 839 O LYS A 56 33.168 31.347 63.091 1.00 0.00 O ATOM 840 CB LYS A 56 31.787 28.349 62.158 1.00 0.00 C ATOM 841 CG LYS A 56 31.900 26.823 61.901 1.00 0.00 C ATOM 842 CD LYS A 56 33.257 26.302 61.389 1.00 0.00 C ATOM 843 CE LYS A 56 33.240 24.813 61.005 1.00 0.00 C ATOM 844 NZ LYS A 56 33.296 23.962 62.285 1.00 0.00 N ATOM 0 H LYS A 56 34.234 27.896 64.264 1.00 0.00 H new ATOM 0 HA LYS A 56 33.748 28.925 62.434 1.00 0.00 H new ATOM 0 HB2 LYS A 56 30.809 28.560 62.591 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.832 28.870 61.202 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.666 26.304 62.830 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.134 26.543 61.178 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.558 26.889 60.521 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.012 26.461 62.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.338 24.581 60.439 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.089 24.581 60.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.539 22.981 62.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.018 24.347 62.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.369 23.981 62.756 1.00 0.00 H new ATOM 858 N CYS A 57 31.586 30.520 64.525 1.00 0.00 N ATOM 859 CA CYS A 57 31.240 31.764 65.196 1.00 0.00 C ATOM 860 C CYS A 57 30.687 32.739 64.100 1.00 0.00 C ATOM 861 O CYS A 57 31.098 33.893 64.002 1.00 0.00 O ATOM 862 CB CYS A 57 32.390 32.242 66.104 1.00 0.00 C ATOM 863 SG CYS A 57 32.095 33.801 66.991 1.00 0.00 S ATOM 0 H CYS A 57 31.018 29.733 64.837 1.00 0.00 H new ATOM 0 HA CYS A 57 30.435 31.666 65.924 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.599 31.462 66.836 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.287 32.356 65.495 1.00 0.00 H new ATOM 868 N ASN A 58 29.690 32.224 63.283 1.00 0.00 N ATOM 869 CA ASN A 58 28.967 32.923 62.215 1.00 0.00 C ATOM 870 C ASN A 58 29.821 33.117 60.907 1.00 0.00 C ATOM 871 O ASN A 58 29.250 33.610 59.933 1.00 0.00 O ATOM 872 CB ASN A 58 28.204 34.179 62.660 1.00 0.00 C ATOM 873 CG ASN A 58 27.130 33.903 63.711 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.767 32.791 64.049 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.570 35.016 64.234 1.00 0.00 N ATOM 0 H ASN A 58 29.376 31.259 63.382 1.00 0.00 H new ATOM 0 HA ASN A 58 28.169 32.234 61.938 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.914 34.903 63.060 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.738 34.638 61.788 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.826 34.935 64.928 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.891 35.937 63.935 1.00 0.00 H new ATOM 882 N LEU A 59 31.155 32.721 60.824 1.00 0.00 N ATOM 883 CA LEU A 59 31.934 32.761 59.567 1.00 0.00 C ATOM 884 C LEU A 59 33.389 32.347 60.027 1.00 0.00 C ATOM 885 O LEU A 59 33.735 31.174 59.862 1.00 0.00 O ATOM 886 CB LEU A 59 32.000 34.106 58.765 1.00 0.00 C ATOM 887 CG LEU A 59 31.454 34.020 57.320 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.422 35.417 56.684 1.00 0.00 C ATOM 889 CD2 LEU A 59 32.269 33.033 56.458 1.00 0.00 C ATOM 890 OXT LEU A 59 34.060 33.270 60.515 1.00 0.00 O ATOM 0 H LEU A 59 31.686 32.377 61.624 1.00 0.00 H new ATOM 0 HA LEU A 59 31.436 32.110 58.848 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.437 34.866 59.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.036 34.442 58.729 1.00 0.00 H new ATOM 0 HG LEU A 59 30.436 33.634 57.366 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.036 35.345 55.667 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.776 36.070 57.272 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.431 35.829 56.661 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.854 33.001 55.451 1.00 0.00 H new ATOM 0 HD22 LEU A 59 33.307 33.361 56.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.222 32.038 56.901 1.00 0.00 H new TER 902 LEU A 59