USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 LYS NZ :NH3+ -104:sc= -0.288 (180deg=-2.56!) USER MOD Set 1.2: A 31 ASN : amide:sc= -2.97! C(o=-3.3!,f=-6.9!) USER MOD Single : A 1 ARG N :NH3+ 165:sc= -2.14! (180deg=-2.83!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.55! C(o=-4.9!,f=-2.5!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -11! C(o=-13!,f=-11!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.08! C(o=-6!,f=-5.1!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.679 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 0.93 (180deg=0.104!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.72! C(o=-8.8!,f=-3.7!) USER MOD Single : A 28 THR OG1 : rot -109:sc= 1.03 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -80:sc= -2.36! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -9.51! C(o=-9.5!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.176 11.662 3.395 1.00 0.00 N ATOM 2 CA ARG A 1 2.432 12.572 2.480 1.00 0.00 C ATOM 3 C ARG A 1 1.115 11.900 2.057 1.00 0.00 C ATOM 4 O ARG A 1 0.539 11.130 2.800 1.00 0.00 O ATOM 5 CB ARG A 1 3.302 12.869 1.246 1.00 0.00 C ATOM 6 CG ARG A 1 3.180 11.735 0.214 1.00 0.00 C ATOM 7 CD ARG A 1 4.564 11.230 -0.193 1.00 0.00 C ATOM 8 NE ARG A 1 5.323 12.286 -0.918 1.00 0.00 N ATOM 9 CZ ARG A 1 5.512 13.461 -0.381 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.613 14.396 -0.522 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.604 13.703 0.292 1.00 0.00 N ATOM 0 H1 ARG A 1 4.160 11.986 3.482 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.726 11.668 4.332 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.162 10.696 3.011 1.00 0.00 H new ATOM 0 HA ARG A 1 2.203 13.509 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.994 13.813 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.343 12.984 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.596 10.915 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.644 12.092 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.118 10.922 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.462 10.349 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 1 5.700 12.089 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.762 14.209 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.761 15.314 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.310 12.974 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.752 14.621 0.712 1.00 0.00 H new ATOM 27 N ILE A 2 0.642 12.171 0.865 1.00 0.00 N ATOM 28 CA ILE A 2 -0.624 11.527 0.409 1.00 0.00 C ATOM 29 C ILE A 2 -0.304 10.203 -0.270 1.00 0.00 C ATOM 30 O ILE A 2 0.464 10.152 -1.209 1.00 0.00 O ATOM 31 CB ILE A 2 -1.340 12.435 -0.594 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.032 13.556 0.167 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.393 11.632 -1.368 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.015 14.637 0.533 1.00 0.00 C ATOM 0 H ILE A 2 1.076 12.806 0.194 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.266 11.359 1.273 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.614 12.845 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.828 13.984 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.498 13.161 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.898 12.285 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.907 10.817 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.123 11.222 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.515 15.438 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.234 14.205 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.569 15.040 -0.376 1.00 0.00 H new ATOM 46 N CYS A 3 -0.893 9.133 0.175 1.00 0.00 N ATOM 47 CA CYS A 3 -0.614 7.838 -0.487 1.00 0.00 C ATOM 48 C CYS A 3 -1.925 7.177 -0.917 1.00 0.00 C ATOM 49 O CYS A 3 -3.002 7.639 -0.596 1.00 0.00 O ATOM 50 CB CYS A 3 0.156 6.915 0.461 1.00 0.00 C ATOM 51 SG CYS A 3 1.797 7.608 0.763 1.00 0.00 S ATOM 0 H CYS A 3 -1.546 9.100 0.958 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.003 8.019 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.385 6.807 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.243 5.919 0.027 1.00 0.00 H new ATOM 56 N TYR A 4 -1.838 6.100 -1.648 1.00 0.00 N ATOM 57 CA TYR A 4 -3.069 5.406 -2.113 1.00 0.00 C ATOM 58 C TYR A 4 -3.528 4.418 -1.047 1.00 0.00 C ATOM 59 O TYR A 4 -2.725 3.726 -0.436 1.00 0.00 O ATOM 60 CB TYR A 4 -2.787 4.658 -3.418 1.00 0.00 C ATOM 61 CG TYR A 4 -3.633 5.244 -4.523 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.000 4.951 -4.592 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.049 6.083 -5.476 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.781 5.498 -5.617 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.828 6.630 -6.501 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.195 6.338 -6.572 1.00 0.00 C ATOM 67 OH TYR A 4 -5.965 6.878 -7.582 1.00 0.00 O ATOM 0 H TYR A 4 -0.962 5.670 -1.944 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.851 6.144 -2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.730 4.735 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.009 3.598 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.452 4.303 -3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.994 6.309 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.836 5.272 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.375 7.277 -7.237 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.403 7.438 -8.158 1.00 0.00 H new ATOM 77 N ASN A 5 -4.817 4.361 -0.818 1.00 0.00 N ATOM 78 CA ASN A 5 -5.372 3.436 0.207 1.00 0.00 C ATOM 79 C ASN A 5 -6.218 2.348 -0.474 1.00 0.00 C ATOM 80 O ASN A 5 -6.973 1.646 0.166 1.00 0.00 O ATOM 81 CB ASN A 5 -6.241 4.242 1.182 1.00 0.00 C ATOM 82 CG ASN A 5 -7.031 3.294 2.085 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.490 2.169 2.461 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -8.154 3.582 2.453 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.513 4.925 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.558 2.956 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.613 4.895 1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.925 4.884 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.577 4.462 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.673 2.943 3.056 1.00 0.00 H new ATOM 91 N HIS A 6 -6.114 2.192 -1.767 1.00 0.00 N ATOM 92 CA HIS A 6 -6.937 1.142 -2.436 1.00 0.00 C ATOM 93 C HIS A 6 -6.502 -0.239 -1.953 1.00 0.00 C ATOM 94 O HIS A 6 -5.330 -0.548 -1.858 1.00 0.00 O ATOM 95 CB HIS A 6 -6.802 1.242 -3.952 1.00 0.00 C ATOM 96 CG HIS A 6 -7.269 -0.038 -4.600 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.691 -0.865 -5.531 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -8.496 -0.608 -4.302 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -7.543 -1.930 -5.807 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -8.615 -1.727 -5.040 1.00 0.00 N flip ATOM 0 H HIS A 6 -5.506 2.735 -2.380 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.984 1.296 -2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.390 2.082 -4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.764 1.437 -4.220 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.225 -0.224 -3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.373 -2.745 -6.494 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.426 -2.345 -5.016 1.00 0.00 H new ATOM 108 N LEU A 7 -7.456 -1.058 -1.634 1.00 0.00 N ATOM 109 CA LEU A 7 -7.145 -2.434 -1.131 1.00 0.00 C ATOM 110 C LEU A 7 -7.473 -3.497 -2.189 1.00 0.00 C ATOM 111 O LEU A 7 -8.507 -3.442 -2.822 1.00 0.00 O ATOM 112 CB LEU A 7 -7.969 -2.708 0.129 1.00 0.00 C ATOM 113 CG LEU A 7 -8.082 -1.424 0.954 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.822 -1.719 2.260 1.00 0.00 C ATOM 115 CD2 LEU A 7 -6.681 -0.900 1.273 1.00 0.00 C ATOM 0 H LEU A 7 -8.450 -0.839 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.080 -2.486 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.962 -3.066 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.498 -3.493 0.721 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.632 -0.675 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.902 -0.804 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.820 -2.095 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.271 -2.468 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.760 0.015 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.133 -1.651 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.151 -0.690 0.344 1.00 0.00 H new ATOM 127 N GLY A 8 -6.605 -4.480 -2.345 1.00 0.00 N ATOM 128 CA GLY A 8 -6.839 -5.596 -3.327 1.00 0.00 C ATOM 129 C GLY A 8 -7.832 -5.183 -4.418 1.00 0.00 C ATOM 130 O GLY A 8 -7.580 -4.289 -5.201 1.00 0.00 O ATOM 0 H GLY A 8 -5.731 -4.555 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.893 -5.884 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.218 -6.472 -2.801 1.00 0.00 H new ATOM 134 N THR A 9 -8.966 -5.834 -4.466 1.00 0.00 N ATOM 135 CA THR A 9 -9.993 -5.493 -5.494 1.00 0.00 C ATOM 136 C THR A 9 -11.144 -4.742 -4.822 1.00 0.00 C ATOM 137 O THR A 9 -12.304 -4.979 -5.096 1.00 0.00 O ATOM 138 CB THR A 9 -10.526 -6.781 -6.127 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.318 -7.867 -5.234 1.00 0.00 O ATOM 140 CG2 THR A 9 -9.793 -7.048 -7.443 1.00 0.00 C ATOM 0 H THR A 9 -9.225 -6.591 -3.833 1.00 0.00 H new ATOM 0 HA THR A 9 -9.547 -4.867 -6.267 1.00 0.00 H new ATOM 0 HB THR A 9 -11.592 -6.674 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.660 -8.692 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.174 -7.965 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.957 -6.215 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.726 -7.155 -7.250 1.00 0.00 H new ATOM 148 N LYS A 10 -10.823 -3.840 -3.940 1.00 0.00 N ATOM 149 CA LYS A 10 -11.878 -3.061 -3.231 1.00 0.00 C ATOM 150 C LYS A 10 -11.997 -1.684 -3.896 1.00 0.00 C ATOM 151 O LYS A 10 -11.331 -1.432 -4.881 1.00 0.00 O ATOM 152 CB LYS A 10 -11.447 -2.912 -1.770 1.00 0.00 C ATOM 153 CG LYS A 10 -12.499 -3.548 -0.858 1.00 0.00 C ATOM 154 CD LYS A 10 -12.163 -3.243 0.602 1.00 0.00 C ATOM 155 CE LYS A 10 -11.600 -4.498 1.274 1.00 0.00 C ATOM 156 NZ LYS A 10 -11.176 -4.170 2.665 1.00 0.00 N ATOM 0 H LYS A 10 -9.866 -3.606 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.845 -3.562 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.480 -3.390 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.325 -1.858 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.488 -3.162 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.529 -4.626 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.436 -2.432 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.056 -2.906 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.354 -5.285 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.752 -4.879 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.139 -4.098 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.597 -3.263 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.495 -4.920 3.311 1.00 0.00 H new ATOM 170 N PRO A 11 -12.814 -0.812 -3.348 1.00 0.00 N ATOM 171 CA PRO A 11 -12.964 0.538 -3.905 1.00 0.00 C ATOM 172 C PRO A 11 -11.677 1.303 -3.609 1.00 0.00 C ATOM 173 O PRO A 11 -11.323 1.489 -2.462 1.00 0.00 O ATOM 174 CB PRO A 11 -14.180 1.110 -3.171 1.00 0.00 C ATOM 175 CG PRO A 11 -14.330 0.283 -1.876 1.00 0.00 C ATOM 176 CD PRO A 11 -13.632 -1.065 -2.140 1.00 0.00 C ATOM 0 HA PRO A 11 -13.119 0.584 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.036 2.166 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.077 1.036 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.874 0.798 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.381 0.135 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.014 -1.367 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.355 -1.863 -2.307 1.00 0.00 H new ATOM 184 N PRO A 12 -10.976 1.667 -4.652 1.00 0.00 N ATOM 185 CA PRO A 12 -9.680 2.341 -4.519 1.00 0.00 C ATOM 186 C PRO A 12 -9.820 3.781 -4.038 1.00 0.00 C ATOM 187 O PRO A 12 -10.536 4.579 -4.607 1.00 0.00 O ATOM 188 CB PRO A 12 -9.084 2.273 -5.928 1.00 0.00 C ATOM 189 CG PRO A 12 -10.273 2.066 -6.892 1.00 0.00 C ATOM 190 CD PRO A 12 -11.411 1.458 -6.050 1.00 0.00 C ATOM 0 HA PRO A 12 -9.048 1.866 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.545 3.190 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.370 1.453 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.582 3.012 -7.338 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.998 1.402 -7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.362 1.952 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.549 0.399 -6.271 1.00 0.00 H new ATOM 198 N THR A 13 -9.119 4.112 -2.986 1.00 0.00 N ATOM 199 CA THR A 13 -9.183 5.502 -2.452 1.00 0.00 C ATOM 200 C THR A 13 -7.804 5.906 -1.938 1.00 0.00 C ATOM 201 O THR A 13 -7.044 5.083 -1.471 1.00 0.00 O ATOM 202 CB THR A 13 -10.196 5.583 -1.306 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.721 6.493 -0.324 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.383 4.202 -0.672 1.00 0.00 C ATOM 0 H THR A 13 -8.505 3.479 -2.474 1.00 0.00 H new ATOM 0 HA THR A 13 -9.496 6.177 -3.249 1.00 0.00 H new ATOM 0 HB THR A 13 -11.153 5.927 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.367 6.548 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.105 4.270 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.749 3.503 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.429 3.849 -0.282 1.00 0.00 H new ATOM 212 N THR A 14 -7.475 7.164 -2.003 1.00 0.00 N ATOM 213 CA THR A 14 -6.146 7.598 -1.495 1.00 0.00 C ATOM 214 C THR A 14 -6.274 7.942 -0.013 1.00 0.00 C ATOM 215 O THR A 14 -7.360 8.010 0.527 1.00 0.00 O ATOM 216 CB THR A 14 -5.655 8.823 -2.271 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.746 9.700 -2.514 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.052 8.372 -3.600 1.00 0.00 C ATOM 0 H THR A 14 -8.063 7.906 -2.383 1.00 0.00 H new ATOM 0 HA THR A 14 -5.425 6.792 -1.629 1.00 0.00 H new ATOM 0 HB THR A 14 -4.897 9.345 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.431 10.485 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.702 9.242 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.214 7.701 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.809 7.850 -4.185 1.00 0.00 H new ATOM 226 N GLU A 15 -5.176 8.156 0.650 1.00 0.00 N ATOM 227 CA GLU A 15 -5.242 8.490 2.101 1.00 0.00 C ATOM 228 C GLU A 15 -4.011 9.303 2.492 1.00 0.00 C ATOM 229 O GLU A 15 -2.892 8.935 2.195 1.00 0.00 O ATOM 230 CB GLU A 15 -5.282 7.200 2.922 1.00 0.00 C ATOM 231 CG GLU A 15 -3.972 6.435 2.732 1.00 0.00 C ATOM 232 CD GLU A 15 -2.956 6.898 3.777 1.00 0.00 C ATOM 233 OE1 GLU A 15 -3.325 6.981 4.938 1.00 0.00 O ATOM 234 OE2 GLU A 15 -1.827 7.165 3.399 1.00 0.00 O ATOM 0 H GLU A 15 -4.237 8.115 0.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.142 9.073 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.431 7.432 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.125 6.583 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.147 5.363 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.581 6.605 1.729 1.00 0.00 H new ATOM 241 N THR A 16 -4.206 10.404 3.160 1.00 0.00 N ATOM 242 CA THR A 16 -3.042 11.233 3.570 1.00 0.00 C ATOM 243 C THR A 16 -2.403 10.626 4.818 1.00 0.00 C ATOM 244 O THR A 16 -3.081 10.172 5.718 1.00 0.00 O ATOM 245 CB THR A 16 -3.503 12.658 3.877 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.755 12.895 3.251 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.467 13.653 3.353 1.00 0.00 C ATOM 0 H THR A 16 -5.119 10.764 3.439 1.00 0.00 H new ATOM 0 HA THR A 16 -2.314 11.258 2.759 1.00 0.00 H new ATOM 0 HB THR A 16 -3.609 12.783 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.052 13.808 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.795 14.669 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.508 13.469 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.358 13.531 2.275 1.00 0.00 H new ATOM 255 N CYS A 17 -1.103 10.610 4.873 1.00 0.00 N ATOM 256 CA CYS A 17 -0.410 10.027 6.053 1.00 0.00 C ATOM 257 C CYS A 17 0.805 10.883 6.402 1.00 0.00 C ATOM 258 O CYS A 17 1.024 11.930 5.825 1.00 0.00 O ATOM 259 CB CYS A 17 0.060 8.622 5.697 1.00 0.00 C ATOM 260 SG CYS A 17 -0.386 7.461 7.009 1.00 0.00 S ATOM 0 H CYS A 17 -0.487 10.977 4.148 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.090 9.994 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.390 8.308 4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.140 8.619 5.550 1.00 0.00 H new ATOM 265 N GLN A 18 1.608 10.441 7.330 1.00 0.00 N ATOM 266 CA GLN A 18 2.814 11.233 7.691 1.00 0.00 C ATOM 267 C GLN A 18 4.004 10.720 6.903 1.00 0.00 C ATOM 268 O GLN A 18 4.743 11.477 6.306 1.00 0.00 O ATOM 269 CB GLN A 18 3.127 11.086 9.176 1.00 0.00 C ATOM 270 CG GLN A 18 4.527 11.660 9.484 1.00 0.00 C ATOM 271 CD GLN A 18 4.864 12.825 8.536 1.00 0.00 C ATOM 272 OE1 GLN A 18 3.951 13.717 8.257 1.00 0.00 O flip ATOM 273 NE2 GLN A 18 5.971 12.920 8.046 1.00 0.00 N flip ATOM 0 H GLN A 18 1.482 9.572 7.850 1.00 0.00 H new ATOM 0 HA GLN A 18 2.620 12.281 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.374 11.607 9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.086 10.035 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.564 12.005 10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.277 10.875 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.686 12.225 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.186 13.695 7.418 1.00 0.00 H new ATOM 282 N GLU A 19 4.201 9.437 6.903 1.00 0.00 N ATOM 283 CA GLU A 19 5.360 8.890 6.152 1.00 0.00 C ATOM 284 C GLU A 19 5.122 9.177 4.679 1.00 0.00 C ATOM 285 O GLU A 19 4.077 8.883 4.135 1.00 0.00 O ATOM 286 CB GLU A 19 5.495 7.377 6.361 1.00 0.00 C ATOM 287 CG GLU A 19 4.909 6.982 7.721 1.00 0.00 C ATOM 288 CD GLU A 19 3.485 6.462 7.535 1.00 0.00 C ATOM 289 OE1 GLU A 19 3.069 6.333 6.400 1.00 0.00 O ATOM 290 OE2 GLU A 19 2.834 6.203 8.535 1.00 0.00 O ATOM 0 H GLU A 19 3.620 8.750 7.383 1.00 0.00 H new ATOM 0 HA GLU A 19 6.280 9.355 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.977 6.844 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.544 7.087 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.529 6.216 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.908 7.842 8.391 1.00 0.00 H new ATOM 297 N ASP A 20 6.078 9.769 4.034 1.00 0.00 N ATOM 298 CA ASP A 20 5.890 10.096 2.592 1.00 0.00 C ATOM 299 C ASP A 20 5.949 8.815 1.778 1.00 0.00 C ATOM 300 O ASP A 20 5.750 8.825 0.579 1.00 0.00 O ATOM 301 CB ASP A 20 6.960 11.073 2.065 1.00 0.00 C ATOM 302 CG ASP A 20 8.059 11.303 3.106 1.00 0.00 C ATOM 303 OD1 ASP A 20 7.775 11.941 4.106 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.163 10.837 2.883 1.00 0.00 O ATOM 0 H ASP A 20 6.976 10.041 4.433 1.00 0.00 H new ATOM 0 HA ASP A 20 4.919 10.581 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.399 10.676 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.493 12.024 1.808 1.00 0.00 H new ATOM 309 N SER A 21 6.206 7.709 2.411 1.00 0.00 N ATOM 310 CA SER A 21 6.267 6.441 1.659 1.00 0.00 C ATOM 311 C SER A 21 4.845 5.921 1.451 1.00 0.00 C ATOM 312 O SER A 21 3.971 6.141 2.267 1.00 0.00 O ATOM 313 CB SER A 21 7.073 5.417 2.458 1.00 0.00 C ATOM 314 OG SER A 21 7.530 6.016 3.663 1.00 0.00 O ATOM 0 H SER A 21 6.375 7.633 3.414 1.00 0.00 H new ATOM 0 HA SER A 21 6.746 6.603 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.456 4.547 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.920 5.065 1.870 1.00 0.00 H new ATOM 0 HG SER A 21 8.046 5.361 4.179 1.00 0.00 H new ATOM 320 N CYS A 22 4.609 5.205 0.394 1.00 0.00 N ATOM 321 CA CYS A 22 3.261 4.634 0.155 1.00 0.00 C ATOM 322 C CYS A 22 3.502 3.171 -0.150 1.00 0.00 C ATOM 323 O CYS A 22 4.215 2.845 -1.076 1.00 0.00 O ATOM 324 CB CYS A 22 2.595 5.325 -1.033 1.00 0.00 C ATOM 325 SG CYS A 22 2.836 7.111 -0.893 1.00 0.00 S ATOM 0 H CYS A 22 5.301 4.988 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 22 2.600 4.769 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.022 4.960 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.531 5.090 -1.056 1.00 0.00 H new ATOM 330 N TYR A 23 2.975 2.279 0.628 1.00 0.00 N ATOM 331 CA TYR A 23 3.279 0.858 0.355 1.00 0.00 C ATOM 332 C TYR A 23 2.074 0.126 -0.171 1.00 0.00 C ATOM 333 O TYR A 23 0.970 0.271 0.304 1.00 0.00 O ATOM 334 CB TYR A 23 3.756 0.144 1.624 1.00 0.00 C ATOM 335 CG TYR A 23 2.596 -0.064 2.575 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.664 -1.082 2.334 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.458 0.755 3.702 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.597 -1.281 3.216 1.00 0.00 C ATOM 339 CE2 TYR A 23 1.388 0.557 4.583 1.00 0.00 C ATOM 340 CZ TYR A 23 0.458 -0.461 4.341 1.00 0.00 C ATOM 341 OH TYR A 23 -0.595 -0.656 5.213 1.00 0.00 O ATOM 0 H TYR A 23 2.362 2.464 1.422 1.00 0.00 H new ATOM 0 HA TYR A 23 4.068 0.848 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.199 -0.817 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.534 0.733 2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.770 -1.715 1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.176 1.539 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.119 -2.067 3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.280 1.191 5.451 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.542 -0.002 5.941 1.00 0.00 H new ATOM 351 N LYS A 24 2.318 -0.694 -1.132 1.00 0.00 N ATOM 352 CA LYS A 24 1.242 -1.528 -1.713 1.00 0.00 C ATOM 353 C LYS A 24 1.809 -2.920 -1.924 1.00 0.00 C ATOM 354 O LYS A 24 2.620 -3.155 -2.798 1.00 0.00 O ATOM 355 CB LYS A 24 0.777 -0.933 -3.016 1.00 0.00 C ATOM 356 CG LYS A 24 -0.084 -1.942 -3.752 1.00 0.00 C ATOM 357 CD LYS A 24 -0.540 -1.321 -5.059 1.00 0.00 C ATOM 358 CE LYS A 24 0.671 -0.750 -5.796 1.00 0.00 C ATOM 359 NZ LYS A 24 0.366 -0.647 -7.250 1.00 0.00 N ATOM 0 H LYS A 24 3.237 -0.829 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 24 0.380 -1.573 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.209 -0.021 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.635 -0.655 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.481 -2.855 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.945 -2.221 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.037 -2.069 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.268 -0.533 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.923 0.232 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.539 -1.390 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.254 -0.625 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.199 -1.469 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.171 0.225 -7.431 1.00 0.00 H new ATOM 373 N ASN A 25 1.433 -3.830 -1.077 1.00 0.00 N ATOM 374 CA ASN A 25 1.997 -5.210 -1.163 1.00 0.00 C ATOM 375 C ASN A 25 0.896 -6.195 -1.559 1.00 0.00 C ATOM 376 O ASN A 25 -0.212 -5.801 -1.853 1.00 0.00 O ATOM 377 CB ASN A 25 2.623 -5.591 0.202 1.00 0.00 C ATOM 378 CG ASN A 25 2.838 -4.335 1.050 1.00 0.00 C ATOM 379 OD1 ASN A 25 3.269 -3.243 0.486 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 2.612 -4.351 2.244 1.00 0.00 N flip ATOM 0 H ASN A 25 0.759 -3.683 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 25 2.775 -5.248 -1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.971 -6.288 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.574 -6.101 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.274 -5.205 2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.760 -3.510 2.802 1.00 0.00 H new ATOM 387 N ILE A 26 1.190 -7.468 -1.598 1.00 0.00 N ATOM 388 CA ILE A 26 0.145 -8.453 -2.009 1.00 0.00 C ATOM 389 C ILE A 26 -0.119 -9.457 -0.886 1.00 0.00 C ATOM 390 O ILE A 26 -1.102 -10.171 -0.907 1.00 0.00 O ATOM 391 CB ILE A 26 0.608 -9.206 -3.258 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.843 -10.053 -2.919 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.940 -8.208 -4.372 1.00 0.00 C ATOM 394 CD1 ILE A 26 3.113 -9.197 -2.974 1.00 0.00 C ATOM 0 H ILE A 26 2.100 -7.866 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.776 -7.910 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.190 -9.864 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.732 -10.486 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.926 -10.883 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.269 -8.749 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.053 -7.623 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.735 -7.541 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.978 -9.814 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.231 -8.785 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.034 -8.383 -2.254 1.00 0.00 H new ATOM 406 N TRP A 27 0.734 -9.521 0.099 1.00 0.00 N ATOM 407 CA TRP A 27 0.491 -10.487 1.210 1.00 0.00 C ATOM 408 C TRP A 27 -0.352 -9.806 2.284 1.00 0.00 C ATOM 409 O TRP A 27 -0.010 -8.749 2.774 1.00 0.00 O ATOM 410 CB TRP A 27 1.804 -10.965 1.845 1.00 0.00 C ATOM 411 CG TRP A 27 2.969 -10.166 1.351 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.549 -10.299 0.135 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.707 -9.119 2.043 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.597 -9.401 0.039 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.734 -8.650 1.190 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.586 -8.537 3.318 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.610 -7.640 1.587 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.466 -7.519 3.721 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.475 -7.072 2.857 1.00 0.00 C ATOM 0 H TRP A 27 1.578 -8.955 0.184 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.025 -11.354 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.737 -10.882 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.959 -12.019 1.615 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.244 -10.993 -0.634 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.195 -9.305 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.812 -8.875 3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.387 -7.299 0.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.365 -7.078 4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.148 -6.289 3.173 1.00 0.00 H new ATOM 430 N THR A 28 -1.456 -10.394 2.651 1.00 0.00 N ATOM 431 CA THR A 28 -2.311 -9.762 3.688 1.00 0.00 C ATOM 432 C THR A 28 -3.221 -10.814 4.328 1.00 0.00 C ATOM 433 O THR A 28 -3.367 -11.912 3.829 1.00 0.00 O ATOM 434 CB THR A 28 -3.151 -8.662 3.031 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.579 -7.738 4.022 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.373 -9.270 2.335 1.00 0.00 C ATOM 0 H THR A 28 -1.800 -11.279 2.279 1.00 0.00 H new ATOM 0 HA THR A 28 -1.687 -9.327 4.469 1.00 0.00 H new ATOM 0 HB THR A 28 -2.542 -8.148 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.542 -7.840 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.961 -8.477 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.044 -9.971 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.985 -9.795 3.068 1.00 0.00 H new ATOM 444 N PHE A 29 -3.836 -10.481 5.429 1.00 0.00 N ATOM 445 CA PHE A 29 -4.742 -11.452 6.104 1.00 0.00 C ATOM 446 C PHE A 29 -6.196 -11.009 5.914 1.00 0.00 C ATOM 447 O PHE A 29 -7.117 -11.675 6.342 1.00 0.00 O ATOM 448 CB PHE A 29 -4.411 -11.499 7.598 1.00 0.00 C ATOM 449 CG PHE A 29 -5.509 -12.223 8.340 1.00 0.00 C ATOM 450 CD1 PHE A 29 -5.441 -13.611 8.511 1.00 0.00 C ATOM 451 CD2 PHE A 29 -6.595 -11.506 8.859 1.00 0.00 C ATOM 452 CE1 PHE A 29 -6.459 -14.282 9.199 1.00 0.00 C ATOM 453 CE2 PHE A 29 -7.611 -12.178 9.547 1.00 0.00 C ATOM 454 CZ PHE A 29 -7.544 -13.566 9.718 1.00 0.00 C ATOM 0 H PHE A 29 -3.750 -9.576 5.891 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.606 -12.443 5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.459 -12.006 7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.301 -10.487 7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.603 -14.164 8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.648 -10.435 8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.407 -15.353 9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.448 -11.625 9.947 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.329 -14.084 10.250 1.00 0.00 H new ATOM 464 N ASP A 30 -6.409 -9.888 5.280 1.00 0.00 N ATOM 465 CA ASP A 30 -7.805 -9.406 5.069 1.00 0.00 C ATOM 466 C ASP A 30 -8.220 -9.665 3.619 1.00 0.00 C ATOM 467 O ASP A 30 -8.988 -10.561 3.334 1.00 0.00 O ATOM 468 CB ASP A 30 -7.899 -7.900 5.360 1.00 0.00 C ATOM 469 CG ASP A 30 -6.614 -7.405 6.035 1.00 0.00 C ATOM 470 OD1 ASP A 30 -5.558 -7.576 5.448 1.00 0.00 O ATOM 471 OD2 ASP A 30 -6.711 -6.864 7.125 1.00 0.00 O ATOM 0 H ASP A 30 -5.679 -9.286 4.900 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.469 -9.942 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.063 -7.353 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.756 -7.700 6.004 1.00 0.00 H new ATOM 476 N ASN A 31 -7.722 -8.881 2.701 1.00 0.00 N ATOM 477 CA ASN A 31 -8.093 -9.079 1.272 1.00 0.00 C ATOM 478 C ASN A 31 -6.891 -9.617 0.494 1.00 0.00 C ATOM 479 O ASN A 31 -6.701 -10.811 0.376 1.00 0.00 O ATOM 480 CB ASN A 31 -8.533 -7.742 0.672 1.00 0.00 C ATOM 481 CG ASN A 31 -10.028 -7.540 0.922 1.00 0.00 C ATOM 482 OD1 ASN A 31 -10.414 -6.782 1.790 1.00 0.00 O ATOM 483 ND2 ASN A 31 -10.893 -8.191 0.194 1.00 0.00 N ATOM 0 H ASN A 31 -7.075 -8.113 2.879 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.911 -9.796 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.965 -6.926 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.327 -7.726 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.892 -8.064 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.570 -8.827 -0.535 1.00 0.00 H new ATOM 490 N ILE A 32 -6.080 -8.747 -0.047 1.00 0.00 N ATOM 491 CA ILE A 32 -4.899 -9.221 -0.822 1.00 0.00 C ATOM 492 C ILE A 32 -3.871 -8.090 -0.956 1.00 0.00 C ATOM 493 O ILE A 32 -2.819 -8.123 -0.348 1.00 0.00 O ATOM 494 CB ILE A 32 -5.359 -9.691 -2.212 1.00 0.00 C ATOM 495 CG1 ILE A 32 -4.170 -9.716 -3.177 1.00 0.00 C ATOM 496 CG2 ILE A 32 -6.443 -8.759 -2.759 1.00 0.00 C ATOM 497 CD1 ILE A 32 -3.154 -10.760 -2.709 1.00 0.00 C ATOM 0 H ILE A 32 -6.184 -7.734 0.014 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.430 -10.054 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.770 -10.696 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.511 -9.952 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.703 -8.732 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.758 -9.105 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.298 -8.760 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.046 -7.747 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.308 -10.778 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.804 -10.504 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.625 -11.743 -2.688 1.00 0.00 H new ATOM 509 N ILE A 33 -4.162 -7.092 -1.743 1.00 0.00 N ATOM 510 CA ILE A 33 -3.198 -5.968 -1.908 1.00 0.00 C ATOM 511 C ILE A 33 -3.532 -4.881 -0.898 1.00 0.00 C ATOM 512 O ILE A 33 -4.677 -4.696 -0.535 1.00 0.00 O ATOM 513 CB ILE A 33 -3.310 -5.379 -3.319 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.631 -6.488 -4.319 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.988 -4.711 -3.704 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.393 -7.353 -4.540 1.00 0.00 C ATOM 0 H ILE A 33 -5.025 -7.006 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.185 -6.339 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.109 -4.638 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.453 -7.100 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.958 -6.055 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.070 -4.293 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.764 -3.913 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.187 -5.450 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.624 -8.144 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.583 -6.737 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.086 -7.797 -3.593 1.00 0.00 H new ATOM 528 N ARG A 34 -2.559 -4.148 -0.438 1.00 0.00 N ATOM 529 CA ARG A 34 -2.878 -3.079 0.539 1.00 0.00 C ATOM 530 C ARG A 34 -1.983 -1.869 0.334 1.00 0.00 C ATOM 531 O ARG A 34 -0.795 -1.899 0.582 1.00 0.00 O ATOM 532 CB ARG A 34 -2.714 -3.585 1.958 1.00 0.00 C ATOM 533 CG ARG A 34 -3.769 -2.905 2.820 1.00 0.00 C ATOM 534 CD ARG A 34 -4.088 -3.782 4.024 1.00 0.00 C ATOM 535 NE ARG A 34 -5.417 -3.402 4.582 1.00 0.00 N ATOM 536 CZ ARG A 34 -5.521 -3.038 5.832 1.00 0.00 C ATOM 537 NH1 ARG A 34 -5.235 -3.884 6.785 1.00 0.00 N ATOM 538 NH2 ARG A 34 -5.913 -1.830 6.130 1.00 0.00 N ATOM 0 H ARG A 34 -1.575 -4.241 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.915 -2.786 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.832 -4.668 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.714 -3.361 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.409 -1.931 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.672 -2.729 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.092 -4.832 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.316 -3.667 4.785 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.245 -3.426 3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.930 -4.829 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.316 -3.599 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.139 -1.169 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.994 -1.546 7.106 1.00 0.00 H new ATOM 552 N ARG A 35 -2.572 -0.801 -0.101 1.00 0.00 N ATOM 553 CA ARG A 35 -1.817 0.456 -0.327 1.00 0.00 C ATOM 554 C ARG A 35 -1.870 1.310 0.941 1.00 0.00 C ATOM 555 O ARG A 35 -2.875 1.914 1.247 1.00 0.00 O ATOM 556 CB ARG A 35 -2.449 1.215 -1.491 1.00 0.00 C ATOM 557 CG ARG A 35 -2.494 0.298 -2.715 1.00 0.00 C ATOM 558 CD ARG A 35 -3.670 0.692 -3.604 1.00 0.00 C ATOM 559 NE ARG A 35 -4.090 -0.485 -4.414 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.450 -0.784 -5.511 1.00 0.00 C ATOM 561 NH1 ARG A 35 -3.073 0.162 -6.328 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.191 -2.030 -5.792 1.00 0.00 N ATOM 0 H ARG A 35 -3.568 -0.743 -0.315 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.777 0.230 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.455 1.540 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.872 2.112 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.561 0.374 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.594 -0.741 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.501 1.043 -2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.386 1.516 -4.259 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.878 -1.057 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.279 1.137 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.573 -0.074 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.489 -2.769 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.691 -2.266 -6.649 1.00 0.00 H new ATOM 576 N GLY A 36 -0.803 1.357 1.690 1.00 0.00 N ATOM 577 CA GLY A 36 -0.816 2.167 2.942 1.00 0.00 C ATOM 578 C GLY A 36 0.258 3.251 2.874 1.00 0.00 C ATOM 579 O GLY A 36 0.825 3.518 1.832 1.00 0.00 O ATOM 0 H GLY A 36 0.073 0.873 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.796 2.623 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.640 1.523 3.804 1.00 0.00 H new ATOM 583 N CYS A 37 0.542 3.881 3.981 1.00 0.00 N ATOM 584 CA CYS A 37 1.578 4.949 3.988 1.00 0.00 C ATOM 585 C CYS A 37 2.825 4.449 4.719 1.00 0.00 C ATOM 586 O CYS A 37 2.766 4.033 5.858 1.00 0.00 O ATOM 587 CB CYS A 37 1.025 6.184 4.697 1.00 0.00 C ATOM 588 SG CYS A 37 0.346 5.718 6.310 1.00 0.00 S ATOM 0 H CYS A 37 0.100 3.701 4.882 1.00 0.00 H new ATOM 0 HA CYS A 37 1.844 5.207 2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.815 6.924 4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.250 6.648 4.087 1.00 0.00 H new ATOM 593 N GLY A 38 3.948 4.465 4.060 1.00 0.00 N ATOM 594 CA GLY A 38 5.196 3.969 4.689 1.00 0.00 C ATOM 595 C GLY A 38 5.509 2.639 4.033 1.00 0.00 C ATOM 596 O GLY A 38 5.015 2.357 2.969 1.00 0.00 O ATOM 0 H GLY A 38 4.053 4.804 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.012 4.676 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.068 3.850 5.765 1.00 0.00 H new ATOM 600 N CYS A 39 6.306 1.819 4.639 1.00 0.00 N ATOM 601 CA CYS A 39 6.602 0.497 4.004 1.00 0.00 C ATOM 602 C CYS A 39 6.050 -0.645 4.861 1.00 0.00 C ATOM 603 O CYS A 39 5.675 -0.468 6.003 1.00 0.00 O ATOM 604 CB CYS A 39 8.109 0.304 3.824 1.00 0.00 C ATOM 605 SG CYS A 39 8.778 1.648 2.820 1.00 0.00 S ATOM 0 H CYS A 39 6.764 1.993 5.533 1.00 0.00 H new ATOM 0 HA CYS A 39 6.121 0.484 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.602 0.283 4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.308 -0.655 3.345 1.00 0.00 H new ATOM 610 N PHE A 40 6.012 -1.820 4.298 1.00 0.00 N ATOM 611 CA PHE A 40 5.494 -3.025 5.044 1.00 0.00 C ATOM 612 C PHE A 40 6.441 -3.340 6.198 1.00 0.00 C ATOM 613 O PHE A 40 7.415 -2.649 6.422 1.00 0.00 O ATOM 614 CB PHE A 40 5.439 -4.249 4.107 1.00 0.00 C ATOM 615 CG PHE A 40 6.385 -3.988 2.978 1.00 0.00 C ATOM 616 CD1 PHE A 40 7.720 -4.378 3.068 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.935 -3.251 1.887 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.611 -4.025 2.053 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.813 -2.906 0.873 1.00 0.00 C ATOM 620 CZ PHE A 40 8.160 -3.288 0.958 1.00 0.00 C ATOM 0 H PHE A 40 6.318 -2.009 3.344 1.00 0.00 H new ATOM 0 HA PHE A 40 4.493 -2.808 5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.721 -5.156 4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.427 -4.401 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.063 -4.950 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.900 -2.948 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.647 -4.322 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.462 -2.345 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.849 -3.011 0.174 1.00 0.00 H new ATOM 630 N THR A 41 6.153 -4.367 6.943 1.00 0.00 N ATOM 631 CA THR A 41 7.028 -4.715 8.099 1.00 0.00 C ATOM 632 C THR A 41 8.162 -5.685 7.689 1.00 0.00 C ATOM 633 O THR A 41 9.309 -5.431 8.000 1.00 0.00 O ATOM 634 CB THR A 41 6.166 -5.315 9.228 1.00 0.00 C ATOM 635 OG1 THR A 41 5.646 -4.258 10.023 1.00 0.00 O ATOM 636 CG2 THR A 41 7.003 -6.242 10.115 1.00 0.00 C ATOM 0 H THR A 41 5.351 -4.982 6.804 1.00 0.00 H new ATOM 0 HA THR A 41 7.509 -3.805 8.457 1.00 0.00 H new ATOM 0 HB THR A 41 5.356 -5.893 8.783 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.095 -4.631 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.375 -6.654 10.905 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.408 -7.055 9.512 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.822 -5.678 10.560 1.00 0.00 H new ATOM 644 N PRO A 42 7.828 -6.778 7.040 1.00 0.00 N ATOM 645 CA PRO A 42 8.822 -7.785 6.636 1.00 0.00 C ATOM 646 C PRO A 42 9.431 -7.444 5.271 1.00 0.00 C ATOM 647 O PRO A 42 9.473 -8.270 4.382 1.00 0.00 O ATOM 648 CB PRO A 42 7.995 -9.070 6.543 1.00 0.00 C ATOM 649 CG PRO A 42 6.526 -8.629 6.322 1.00 0.00 C ATOM 650 CD PRO A 42 6.453 -7.125 6.650 1.00 0.00 C ATOM 0 HA PRO A 42 9.660 -7.854 7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.341 -9.696 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.091 -9.660 7.454 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.218 -8.815 5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.852 -9.197 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.124 -6.544 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.747 -6.926 7.457 1.00 0.00 H new ATOM 658 N ARG A 43 9.901 -6.241 5.092 1.00 0.00 N ATOM 659 CA ARG A 43 10.497 -5.873 3.779 1.00 0.00 C ATOM 660 C ARG A 43 11.578 -6.881 3.398 1.00 0.00 C ATOM 661 O ARG A 43 12.043 -7.652 4.214 1.00 0.00 O ATOM 662 CB ARG A 43 11.132 -4.488 3.873 1.00 0.00 C ATOM 663 CG ARG A 43 11.815 -4.333 5.232 1.00 0.00 C ATOM 664 CD ARG A 43 10.925 -3.505 6.161 1.00 0.00 C ATOM 665 NE ARG A 43 11.545 -2.168 6.375 1.00 0.00 N ATOM 666 CZ ARG A 43 11.932 -1.458 5.350 1.00 0.00 C ATOM 667 NH1 ARG A 43 11.057 -0.788 4.650 1.00 0.00 N ATOM 668 NH2 ARG A 43 13.195 -1.421 5.023 1.00 0.00 N ATOM 0 H ARG A 43 9.898 -5.501 5.794 1.00 0.00 H new ATOM 0 HA ARG A 43 9.710 -5.873 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.858 -4.354 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.371 -3.718 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.003 -5.313 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.783 -3.847 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.932 -3.392 5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.800 -4.017 7.115 1.00 0.00 H new ATOM 0 HE ARG A 43 11.667 -1.807 7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.070 -0.819 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.361 -0.234 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.879 -1.946 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.498 -0.867 4.222 1.00 0.00 H new ATOM 682 N GLY A 44 11.984 -6.874 2.159 1.00 0.00 N ATOM 683 CA GLY A 44 13.035 -7.821 1.716 1.00 0.00 C ATOM 684 C GLY A 44 12.968 -7.983 0.195 1.00 0.00 C ATOM 685 O GLY A 44 12.156 -7.370 -0.468 1.00 0.00 O ATOM 0 H GLY A 44 11.630 -6.250 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.018 -7.454 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.897 -8.787 2.202 1.00 0.00 H new ATOM 689 N ASP A 45 13.815 -8.806 -0.362 1.00 0.00 N ATOM 690 CA ASP A 45 13.798 -9.009 -1.839 1.00 0.00 C ATOM 691 C ASP A 45 12.800 -10.114 -2.188 1.00 0.00 C ATOM 692 O ASP A 45 12.371 -10.245 -3.317 1.00 0.00 O ATOM 693 CB ASP A 45 15.195 -9.415 -2.314 1.00 0.00 C ATOM 694 CG ASP A 45 15.651 -8.470 -3.428 1.00 0.00 C ATOM 695 OD1 ASP A 45 14.806 -7.782 -3.977 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.836 -8.452 -3.714 1.00 0.00 O ATOM 0 H ASP A 45 14.518 -9.347 0.142 1.00 0.00 H new ATOM 0 HA ASP A 45 13.502 -8.082 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.898 -9.379 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.183 -10.443 -2.677 1.00 0.00 H new ATOM 701 N MET A 46 12.429 -10.911 -1.225 1.00 0.00 N ATOM 702 CA MET A 46 11.460 -12.009 -1.496 1.00 0.00 C ATOM 703 C MET A 46 10.113 -11.427 -1.948 1.00 0.00 C ATOM 704 O MET A 46 9.567 -11.843 -2.951 1.00 0.00 O ATOM 705 CB MET A 46 11.259 -12.840 -0.226 1.00 0.00 C ATOM 706 CG MET A 46 11.903 -14.216 -0.412 1.00 0.00 C ATOM 707 SD MET A 46 13.075 -14.522 0.933 1.00 0.00 S ATOM 708 CE MET A 46 14.222 -15.566 0.000 1.00 0.00 C ATOM 0 H MET A 46 12.756 -10.849 -0.261 1.00 0.00 H new ATOM 0 HA MET A 46 11.856 -12.643 -2.289 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.703 -12.331 0.629 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.195 -12.950 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.135 -14.990 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.416 -14.262 -1.373 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.041 -15.876 0.649 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.696 -16.447 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.621 -15.004 -0.844 1.00 0.00 H new ATOM 718 N PRO A 47 9.613 -10.487 -1.187 1.00 0.00 N ATOM 719 CA PRO A 47 8.325 -9.830 -1.471 1.00 0.00 C ATOM 720 C PRO A 47 8.482 -8.770 -2.566 1.00 0.00 C ATOM 721 O PRO A 47 9.560 -8.262 -2.804 1.00 0.00 O ATOM 722 CB PRO A 47 7.945 -9.198 -0.127 1.00 0.00 C ATOM 723 CG PRO A 47 9.260 -9.046 0.676 1.00 0.00 C ATOM 724 CD PRO A 47 10.287 -9.992 0.028 1.00 0.00 C ATOM 0 HA PRO A 47 7.564 -10.517 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.467 -8.230 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.234 -9.826 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.613 -8.015 0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.105 -9.303 1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.211 -9.468 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.551 -10.811 0.697 1.00 0.00 H new ATOM 732 N GLY A 48 7.410 -8.437 -3.236 1.00 0.00 N ATOM 733 CA GLY A 48 7.488 -7.420 -4.317 1.00 0.00 C ATOM 734 C GLY A 48 6.347 -6.406 -4.160 1.00 0.00 C ATOM 735 O GLY A 48 5.523 -6.259 -5.040 1.00 0.00 O ATOM 0 H GLY A 48 6.482 -8.829 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.450 -6.908 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.424 -7.905 -5.291 1.00 0.00 H new ATOM 739 N PRO A 49 6.339 -5.739 -3.035 1.00 0.00 N ATOM 740 CA PRO A 49 5.320 -4.719 -2.707 1.00 0.00 C ATOM 741 C PRO A 49 5.603 -3.402 -3.434 1.00 0.00 C ATOM 742 O PRO A 49 6.402 -3.344 -4.347 1.00 0.00 O ATOM 743 CB PRO A 49 5.485 -4.525 -1.206 1.00 0.00 C ATOM 744 CG PRO A 49 6.920 -4.979 -0.877 1.00 0.00 C ATOM 745 CD PRO A 49 7.349 -5.939 -1.979 1.00 0.00 C ATOM 0 HA PRO A 49 4.316 -5.024 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.332 -3.482 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.753 -5.113 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.593 -4.123 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.956 -5.469 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.353 -5.712 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.361 -6.971 -1.628 1.00 0.00 H new ATOM 753 N TYR A 50 4.945 -2.339 -3.038 1.00 0.00 N ATOM 754 CA TYR A 50 5.179 -1.036 -3.718 1.00 0.00 C ATOM 755 C TYR A 50 5.405 0.105 -2.708 1.00 0.00 C ATOM 756 O TYR A 50 4.617 1.026 -2.634 1.00 0.00 O ATOM 757 CB TYR A 50 3.968 -0.701 -4.592 1.00 0.00 C ATOM 758 CG TYR A 50 4.433 -0.367 -5.992 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.481 0.540 -6.180 1.00 0.00 C ATOM 760 CD2 TYR A 50 3.815 -0.964 -7.099 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.915 0.851 -7.475 1.00 0.00 C ATOM 762 CE2 TYR A 50 4.249 -0.653 -8.394 1.00 0.00 C ATOM 763 CZ TYR A 50 5.299 0.254 -8.581 1.00 0.00 C ATOM 764 OH TYR A 50 5.726 0.561 -9.858 1.00 0.00 O ATOM 0 H TYR A 50 4.263 -2.321 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 50 6.079 -1.130 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.280 -1.546 -4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.422 0.142 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.956 1.001 -5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.005 -1.663 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.724 1.551 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.774 -1.113 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 50 5.194 0.060 -10.510 1.00 0.00 H new ATOM 774 N CYS A 51 6.487 0.093 -1.963 1.00 0.00 N ATOM 775 CA CYS A 51 6.738 1.236 -1.027 1.00 0.00 C ATOM 776 C CYS A 51 7.463 2.323 -1.814 1.00 0.00 C ATOM 777 O CYS A 51 8.457 2.076 -2.468 1.00 0.00 O ATOM 778 CB CYS A 51 7.624 0.841 0.141 1.00 0.00 C ATOM 779 SG CYS A 51 7.308 2.005 1.490 1.00 0.00 S ATOM 0 H CYS A 51 7.194 -0.643 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 51 5.780 1.569 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.407 -0.179 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.674 0.868 -0.149 1.00 0.00 H new ATOM 784 N CYS A 52 6.982 3.517 -1.746 1.00 0.00 N ATOM 785 CA CYS A 52 7.645 4.639 -2.479 1.00 0.00 C ATOM 786 C CYS A 52 7.357 5.940 -1.749 1.00 0.00 C ATOM 787 O CYS A 52 6.297 6.120 -1.187 1.00 0.00 O ATOM 788 CB CYS A 52 7.124 4.770 -3.918 1.00 0.00 C ATOM 789 SG CYS A 52 5.663 3.741 -4.188 1.00 0.00 S ATOM 0 H CYS A 52 6.152 3.779 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 52 8.714 4.429 -2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.880 5.812 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.908 4.482 -4.618 1.00 0.00 H new ATOM 794 N GLU A 53 8.285 6.852 -1.758 1.00 0.00 N ATOM 795 CA GLU A 53 8.052 8.139 -1.058 1.00 0.00 C ATOM 796 C GLU A 53 7.299 9.109 -1.970 1.00 0.00 C ATOM 797 O GLU A 53 7.238 10.294 -1.712 1.00 0.00 O ATOM 798 CB GLU A 53 9.382 8.750 -0.621 1.00 0.00 C ATOM 799 CG GLU A 53 10.344 7.642 -0.176 1.00 0.00 C ATOM 800 CD GLU A 53 11.767 8.202 -0.103 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.284 8.587 -1.138 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.315 8.235 0.988 1.00 0.00 O ATOM 0 H GLU A 53 9.191 6.761 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 53 7.445 7.950 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.820 9.315 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.219 9.452 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.044 7.254 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.305 6.808 -0.877 1.00 0.00 H new ATOM 809 N SER A 54 6.703 8.615 -3.021 1.00 0.00 N ATOM 810 CA SER A 54 5.933 9.517 -3.922 1.00 0.00 C ATOM 811 C SER A 54 4.472 9.529 -3.465 1.00 0.00 C ATOM 812 O SER A 54 3.985 8.569 -2.897 1.00 0.00 O ATOM 813 CB SER A 54 6.017 9.011 -5.361 1.00 0.00 C ATOM 814 OG SER A 54 6.375 7.635 -5.357 1.00 0.00 O ATOM 0 H SER A 54 6.716 7.632 -3.293 1.00 0.00 H new ATOM 0 HA SER A 54 6.348 10.524 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.059 9.148 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.754 9.588 -5.919 1.00 0.00 H new ATOM 0 HG SER A 54 7.342 7.549 -5.227 1.00 0.00 H new ATOM 820 N ASP A 55 3.762 10.597 -3.696 1.00 0.00 N ATOM 821 CA ASP A 55 2.346 10.635 -3.244 1.00 0.00 C ATOM 822 C ASP A 55 1.522 9.646 -4.062 1.00 0.00 C ATOM 823 O ASP A 55 1.858 9.320 -5.183 1.00 0.00 O ATOM 824 CB ASP A 55 1.770 12.041 -3.429 1.00 0.00 C ATOM 825 CG ASP A 55 2.680 13.070 -2.759 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.827 13.172 -3.163 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.214 13.738 -1.848 1.00 0.00 O ATOM 0 H ASP A 55 4.096 11.435 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 55 2.307 10.366 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.672 12.266 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.770 12.093 -2.999 1.00 0.00 H new ATOM 832 N LYS A 56 0.448 9.172 -3.491 1.00 0.00 N ATOM 833 CA LYS A 56 -0.436 8.190 -4.192 1.00 0.00 C ATOM 834 C LYS A 56 0.388 7.268 -5.105 1.00 0.00 C ATOM 835 O LYS A 56 -0.057 6.874 -6.166 1.00 0.00 O ATOM 836 CB LYS A 56 -1.485 8.946 -5.018 1.00 0.00 C ATOM 837 CG LYS A 56 -0.850 9.533 -6.281 1.00 0.00 C ATOM 838 CD LYS A 56 -0.866 11.060 -6.193 1.00 0.00 C ATOM 839 CE LYS A 56 -0.385 11.651 -7.517 1.00 0.00 C ATOM 840 NZ LYS A 56 1.103 11.747 -7.507 1.00 0.00 N ATOM 0 H LYS A 56 0.139 9.427 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.935 7.572 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.297 8.272 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.922 9.745 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.174 9.174 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.397 9.203 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.873 11.412 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.224 11.395 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.714 11.026 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.823 12.638 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.431 12.149 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.406 12.360 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.511 10.799 -7.382 1.00 0.00 H new ATOM 854 N CYS A 57 1.586 6.925 -4.707 1.00 0.00 N ATOM 855 CA CYS A 57 2.431 6.035 -5.562 1.00 0.00 C ATOM 856 C CYS A 57 1.875 4.603 -5.571 1.00 0.00 C ATOM 857 O CYS A 57 2.216 3.812 -6.425 1.00 0.00 O ATOM 858 CB CYS A 57 3.860 6.011 -5.013 1.00 0.00 C ATOM 859 SG CYS A 57 4.779 4.639 -5.762 1.00 0.00 S ATOM 0 H CYS A 57 2.015 7.221 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 57 2.424 6.424 -6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.359 6.956 -5.228 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.842 5.900 -3.929 1.00 0.00 H new ATOM 864 N ASN A 58 1.045 4.250 -4.634 1.00 0.00 N ATOM 865 CA ASN A 58 0.520 2.857 -4.616 1.00 0.00 C ATOM 866 C ASN A 58 -0.255 2.573 -5.892 1.00 0.00 C ATOM 867 O ASN A 58 -0.609 1.445 -6.172 1.00 0.00 O ATOM 868 CB ASN A 58 -0.420 2.635 -3.434 1.00 0.00 C ATOM 869 CG ASN A 58 -0.161 3.640 -2.318 1.00 0.00 C ATOM 870 OD1 ASN A 58 0.000 4.817 -2.559 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.091 3.211 -1.097 1.00 0.00 N ATOM 0 H ASN A 58 0.709 4.857 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 58 1.377 2.188 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.454 2.720 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.291 1.623 -3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.100 3.864 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.227 2.220 -0.896 1.00 0.00 H new ATOM 878 N LEU A 59 -0.539 3.571 -6.670 1.00 0.00 N ATOM 879 CA LEU A 59 -1.302 3.310 -7.910 1.00 0.00 C ATOM 880 C LEU A 59 -0.560 3.903 -9.110 1.00 0.00 C ATOM 881 O LEU A 59 -0.607 5.112 -9.271 1.00 0.00 O ATOM 882 CB LEU A 59 -2.697 3.934 -7.801 1.00 0.00 C ATOM 883 CG LEU A 59 -3.504 3.645 -9.073 1.00 0.00 C ATOM 884 CD1 LEU A 59 -3.248 2.211 -9.549 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.993 3.817 -8.773 1.00 0.00 C ATOM 886 OXT LEU A 59 0.044 3.139 -9.845 1.00 0.00 O ATOM 0 H LEU A 59 -0.280 4.543 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.402 2.234 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.217 3.532 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.612 5.010 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.197 4.339 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.827 2.019 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.187 2.083 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.548 1.510 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.572 3.613 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.288 3.122 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.182 4.839 -8.444 1.00 0.00 H new TER 898 LEU A 59