USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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 30 THR OG1 : rot 147:sc= -0.235 USER MOD Set 1.2: A 41 TYR OH : rot -171:sc= -0.368 USER MOD Set 2.1: A 14 TYR OH : rot 150:sc= -0.0091 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 160:sc=-0.00761 (180deg=-0.173) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.2 (180deg=0.938) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.468 F(o=-3.8!,f=-0.47) USER MOD Single : A 20 SER OG : rot 17:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -4.27 K(o=-4.3,f=-11!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -105:sc= -2! (180deg=-5.03!) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -0.732 (180deg=-3.09!) USER MOD Single : A 43 SER OG : rot -81:sc= -1.27 USER MOD Single : A 47 THR OG1 : rot 122:sc= 0.723 USER MOD Single : A 54 SER OG : rot 88:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.149 15.818 -0.879 1.00 0.00 N ATOM 2 CA MET A 1 -2.260 16.227 -1.787 1.00 0.00 C ATOM 3 C MET A 1 -3.488 15.328 -1.568 1.00 0.00 C ATOM 4 O MET A 1 -3.435 14.374 -0.816 1.00 0.00 O ATOM 5 CB MET A 1 -1.799 16.122 -3.269 1.00 0.00 C ATOM 6 CG MET A 1 -1.485 14.659 -3.671 1.00 0.00 C ATOM 7 SD MET A 1 -0.195 13.771 -2.760 1.00 0.00 S ATOM 8 CE MET A 1 1.229 14.295 -3.747 1.00 0.00 C ATOM 0 H1 MET A 1 -0.529 16.633 -0.700 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.544 15.479 0.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.599 15.056 -1.324 1.00 0.00 H new ATOM 0 HA MET A 1 -2.530 17.259 -1.562 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.577 16.519 -3.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.913 16.738 -3.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.408 14.086 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.208 14.657 -4.725 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.137 13.848 -3.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.095 13.972 -4.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.314 15.381 -3.715 1.00 0.00 H new ATOM 20 N LYS A 2 -4.561 15.669 -2.240 1.00 0.00 N ATOM 21 CA LYS A 2 -5.828 14.883 -2.127 1.00 0.00 C ATOM 22 C LYS A 2 -5.625 13.567 -2.899 1.00 0.00 C ATOM 23 O LYS A 2 -5.889 13.496 -4.084 1.00 0.00 O ATOM 24 CB LYS A 2 -6.977 15.731 -2.733 1.00 0.00 C ATOM 25 CG LYS A 2 -8.347 15.000 -2.633 1.00 0.00 C ATOM 26 CD LYS A 2 -8.769 14.722 -1.163 1.00 0.00 C ATOM 27 CE LYS A 2 -8.935 16.041 -0.381 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.397 15.747 1.004 1.00 0.00 N ATOM 0 H LYS A 2 -4.612 16.469 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.083 14.651 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.036 16.687 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.756 15.949 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.113 15.604 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.292 14.057 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.706 14.165 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.019 14.098 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.988 16.580 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.654 16.686 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.508 16.638 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.310 15.250 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.696 15.147 1.484 1.00 0.00 H new ATOM 42 N ALA A 3 -5.153 12.577 -2.175 1.00 0.00 N ATOM 43 CA ALA A 3 -4.873 11.205 -2.721 1.00 0.00 C ATOM 44 C ALA A 3 -3.738 11.264 -3.756 1.00 0.00 C ATOM 45 O ALA A 3 -3.752 12.077 -4.661 1.00 0.00 O ATOM 46 CB ALA A 3 -6.145 10.619 -3.387 1.00 0.00 C ATOM 0 H ALA A 3 -4.941 12.669 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.573 10.563 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.926 9.625 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.944 10.551 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.460 11.268 -4.204 1.00 0.00 H new ATOM 52 N CYS A 4 -2.777 10.391 -3.592 1.00 0.00 N ATOM 53 CA CYS A 4 -1.618 10.347 -4.527 1.00 0.00 C ATOM 54 C CYS A 4 -2.019 9.951 -5.957 1.00 0.00 C ATOM 55 O CYS A 4 -3.115 9.488 -6.206 1.00 0.00 O ATOM 56 CB CYS A 4 -0.613 9.359 -3.960 1.00 0.00 C ATOM 57 SG CYS A 4 0.122 9.746 -2.352 1.00 0.00 S ATOM 0 H CYS A 4 -2.748 9.701 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 4 -1.189 11.346 -4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.103 8.388 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.196 9.250 -4.682 1.00 0.00 H new ATOM 62 N THR A 5 -1.086 10.160 -6.848 1.00 0.00 N ATOM 63 CA THR A 5 -1.258 9.856 -8.290 1.00 0.00 C ATOM 64 C THR A 5 -0.840 8.410 -8.624 1.00 0.00 C ATOM 65 O THR A 5 -0.076 8.182 -9.542 1.00 0.00 O ATOM 66 CB THR A 5 -0.408 10.888 -9.039 1.00 0.00 C ATOM 67 OG1 THR A 5 -0.798 12.154 -8.520 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.806 10.972 -10.493 1.00 0.00 C ATOM 0 H THR A 5 -0.171 10.547 -6.617 1.00 0.00 H new ATOM 0 HA THR A 5 -2.305 9.922 -8.586 1.00 0.00 H new ATOM 0 HB THR A 5 0.645 10.626 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.284 12.861 -8.962 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.185 11.712 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.667 9.999 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.853 11.265 -10.567 1.00 0.00 H new ATOM 76 N LEU A 6 -1.354 7.472 -7.864 1.00 0.00 N ATOM 77 CA LEU A 6 -1.033 6.018 -8.080 1.00 0.00 C ATOM 78 C LEU A 6 0.482 5.741 -8.134 1.00 0.00 C ATOM 79 O LEU A 6 0.905 4.702 -8.604 1.00 0.00 O ATOM 80 CB LEU A 6 -1.709 5.558 -9.406 1.00 0.00 C ATOM 81 CG LEU A 6 -3.254 5.729 -9.321 1.00 0.00 C ATOM 82 CD1 LEU A 6 -3.851 5.564 -10.734 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.859 4.629 -8.412 1.00 0.00 C ATOM 0 H LEU A 6 -1.993 7.652 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.418 5.455 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.319 6.140 -10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.463 4.514 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.483 6.714 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.934 5.682 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.432 6.321 -11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.610 4.573 -11.117 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.940 4.756 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.629 3.647 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.434 4.709 -7.412 1.00 0.00 H new ATOM 95 N ASN A 7 1.254 6.685 -7.653 1.00 0.00 N ATOM 96 CA ASN A 7 2.728 6.573 -7.630 1.00 0.00 C ATOM 97 C ASN A 7 3.145 5.349 -6.817 1.00 0.00 C ATOM 98 O ASN A 7 2.429 4.915 -5.940 1.00 0.00 O ATOM 99 CB ASN A 7 3.336 7.831 -6.989 1.00 0.00 C ATOM 100 CG ASN A 7 2.687 9.088 -7.576 1.00 0.00 C ATOM 101 OD1 ASN A 7 1.779 9.699 -6.867 1.00 0.00 O flip ATOM 102 ND2 ASN A 7 2.994 9.517 -8.671 1.00 0.00 N flip ATOM 0 H ASN A 7 0.899 7.558 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 7 3.088 6.471 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.188 7.806 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.412 7.853 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.704 9.039 -9.225 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.541 10.355 -9.036 1.00 0.00 H new ATOM 109 N CYS A 8 4.294 4.829 -7.133 1.00 0.00 N ATOM 110 CA CYS A 8 4.792 3.632 -6.391 1.00 0.00 C ATOM 111 C CYS A 8 5.376 4.072 -5.045 1.00 0.00 C ATOM 112 O CYS A 8 6.223 4.943 -4.993 1.00 0.00 O ATOM 113 CB CYS A 8 5.874 2.925 -7.210 1.00 0.00 C ATOM 114 SG CYS A 8 6.004 3.297 -8.974 1.00 0.00 S ATOM 0 H CYS A 8 4.910 5.175 -7.868 1.00 0.00 H new ATOM 0 HA CYS A 8 3.963 2.944 -6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.837 3.151 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.717 1.851 -7.109 1.00 0.00 H new ATOM 119 N ASP A 9 4.896 3.449 -3.999 1.00 0.00 N ATOM 120 CA ASP A 9 5.386 3.786 -2.626 1.00 0.00 C ATOM 121 C ASP A 9 6.574 2.839 -2.343 1.00 0.00 C ATOM 122 O ASP A 9 6.352 1.650 -2.249 1.00 0.00 O ATOM 123 CB ASP A 9 4.222 3.560 -1.621 1.00 0.00 C ATOM 124 CG ASP A 9 4.556 3.977 -0.171 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.516 4.704 0.028 1.00 0.00 O ATOM 126 OD2 ASP A 9 3.806 3.534 0.684 1.00 0.00 O ATOM 0 H ASP A 9 4.184 2.719 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 9 5.710 4.823 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.350 4.121 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.946 2.506 -1.631 1.00 0.00 H new ATOM 131 N PRO A 10 7.785 3.353 -2.219 1.00 0.00 N ATOM 132 CA PRO A 10 9.027 2.511 -2.178 1.00 0.00 C ATOM 133 C PRO A 10 8.962 1.361 -1.162 1.00 0.00 C ATOM 134 O PRO A 10 9.529 0.306 -1.372 1.00 0.00 O ATOM 135 CB PRO A 10 10.176 3.476 -1.864 1.00 0.00 C ATOM 136 CG PRO A 10 9.592 4.896 -1.811 1.00 0.00 C ATOM 137 CD PRO A 10 8.088 4.813 -2.106 1.00 0.00 C ATOM 0 HA PRO A 10 9.164 2.007 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.643 3.219 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.951 3.409 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.762 5.340 -0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.087 5.537 -2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.505 5.275 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.839 5.338 -3.028 1.00 0.00 H new ATOM 145 N ARG A 11 8.261 1.619 -0.095 1.00 0.00 N ATOM 146 CA ARG A 11 8.084 0.617 1.003 1.00 0.00 C ATOM 147 C ARG A 11 7.091 -0.476 0.573 1.00 0.00 C ATOM 148 O ARG A 11 7.252 -1.629 0.922 1.00 0.00 O ATOM 149 CB ARG A 11 7.576 1.353 2.275 1.00 0.00 C ATOM 150 CG ARG A 11 6.688 2.554 1.882 1.00 0.00 C ATOM 151 CD ARG A 11 5.942 3.105 3.087 1.00 0.00 C ATOM 152 NE ARG A 11 4.916 2.091 3.458 1.00 0.00 N ATOM 153 CZ ARG A 11 3.949 2.369 4.295 1.00 0.00 C ATOM 154 NH1 ARG A 11 3.855 3.555 4.835 1.00 0.00 N ATOM 155 NH2 ARG A 11 3.091 1.429 4.570 1.00 0.00 N ATOM 0 H ARG A 11 7.788 2.508 0.070 1.00 0.00 H new ATOM 0 HA ARG A 11 9.037 0.135 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.010 0.663 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.424 1.698 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.306 3.338 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.974 2.247 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.626 3.284 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.473 4.060 2.848 1.00 0.00 H new ATOM 0 HE ARG A 11 4.968 1.158 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.539 4.276 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.097 3.760 5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.185 0.510 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.325 1.611 5.218 1.00 0.00 H new ATOM 169 N ILE A 12 6.096 -0.072 -0.175 1.00 0.00 N ATOM 170 CA ILE A 12 5.060 -1.032 -0.668 1.00 0.00 C ATOM 171 C ILE A 12 5.524 -1.596 -2.023 1.00 0.00 C ATOM 172 O ILE A 12 6.247 -0.942 -2.749 1.00 0.00 O ATOM 173 CB ILE A 12 3.719 -0.302 -0.833 1.00 0.00 C ATOM 174 CG1 ILE A 12 3.368 0.291 0.556 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.625 -1.321 -1.284 1.00 0.00 C ATOM 176 CD1 ILE A 12 2.004 0.957 0.532 1.00 0.00 C ATOM 0 H ILE A 12 5.955 0.894 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 12 4.929 -1.846 0.045 1.00 0.00 H new ATOM 0 HB ILE A 12 3.776 0.484 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.378 -0.500 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.127 1.017 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.673 -0.804 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.915 -1.769 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.523 -2.103 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.781 1.365 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.005 1.763 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.245 0.222 0.263 1.00 0.00 H new ATOM 188 N ALA A 13 5.096 -2.793 -2.326 1.00 0.00 N ATOM 189 CA ALA A 13 5.480 -3.439 -3.618 1.00 0.00 C ATOM 190 C ALA A 13 4.384 -3.171 -4.642 1.00 0.00 C ATOM 191 O ALA A 13 4.634 -2.608 -5.691 1.00 0.00 O ATOM 192 CB ALA A 13 5.631 -4.944 -3.412 1.00 0.00 C ATOM 0 H ALA A 13 4.491 -3.357 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 13 6.427 -3.031 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.911 -5.414 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.405 -5.134 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.685 -5.361 -3.066 1.00 0.00 H new ATOM 198 N TYR A 14 3.195 -3.593 -4.292 1.00 0.00 N ATOM 199 CA TYR A 14 2.018 -3.399 -5.200 1.00 0.00 C ATOM 200 C TYR A 14 0.720 -3.641 -4.428 1.00 0.00 C ATOM 201 O TYR A 14 0.740 -3.753 -3.218 1.00 0.00 O ATOM 202 CB TYR A 14 2.145 -4.385 -6.393 1.00 0.00 C ATOM 203 CG TYR A 14 2.239 -5.844 -5.914 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.469 -6.397 -5.626 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.105 -6.619 -5.766 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.571 -7.702 -5.196 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.207 -7.926 -5.334 1.00 0.00 C ATOM 208 CZ TYR A 14 2.439 -8.475 -5.047 1.00 0.00 C ATOM 209 OH TYR A 14 2.538 -9.781 -4.613 1.00 0.00 O ATOM 0 H TYR A 14 2.986 -4.066 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 14 1.998 -2.377 -5.579 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.284 -4.273 -7.052 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.030 -4.136 -6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.362 -5.801 -5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.135 -6.201 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.541 -8.121 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.315 -8.524 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 14 1.727 -10.024 -4.119 1.00 0.00 H new ATOM 219 N GLY A 15 -0.370 -3.711 -5.152 1.00 0.00 N ATOM 220 CA GLY A 15 -1.690 -3.946 -4.498 1.00 0.00 C ATOM 221 C GLY A 15 -2.747 -4.428 -5.491 1.00 0.00 C ATOM 222 O GLY A 15 -2.666 -4.165 -6.676 1.00 0.00 O ATOM 0 H GLY A 15 -0.400 -3.615 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.575 -4.685 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.030 -3.024 -4.027 1.00 0.00 H new ATOM 226 N VAL A 16 -3.712 -5.124 -4.950 1.00 0.00 N ATOM 227 CA VAL A 16 -4.846 -5.684 -5.766 1.00 0.00 C ATOM 228 C VAL A 16 -6.109 -4.898 -5.420 1.00 0.00 C ATOM 229 O VAL A 16 -6.115 -4.156 -4.461 1.00 0.00 O ATOM 230 CB VAL A 16 -5.012 -7.194 -5.421 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.925 -7.899 -6.458 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.636 -7.871 -5.495 1.00 0.00 C ATOM 0 H VAL A 16 -3.768 -5.336 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.652 -5.595 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.451 -7.272 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.026 -8.952 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.908 -7.428 -6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.483 -7.812 -7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.738 -8.929 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.232 -7.764 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.960 -7.401 -4.781 1.00 0.00 H new ATOM 242 N CYS A 17 -7.140 -5.070 -6.203 1.00 0.00 N ATOM 243 CA CYS A 17 -8.429 -4.348 -5.957 1.00 0.00 C ATOM 244 C CYS A 17 -9.596 -5.162 -6.545 1.00 0.00 C ATOM 245 O CYS A 17 -9.359 -6.184 -7.156 1.00 0.00 O ATOM 246 CB CYS A 17 -8.319 -2.953 -6.615 1.00 0.00 C ATOM 247 SG CYS A 17 -7.081 -1.793 -5.973 1.00 0.00 S ATOM 0 H CYS A 17 -7.147 -5.688 -7.014 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.620 -4.229 -4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.117 -3.101 -7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.295 -2.473 -6.540 1.00 0.00 H new ATOM 252 N PRO A 18 -10.824 -4.724 -6.348 1.00 0.00 N ATOM 253 CA PRO A 18 -11.981 -5.130 -7.208 1.00 0.00 C ATOM 254 C PRO A 18 -11.624 -5.297 -8.704 1.00 0.00 C ATOM 255 O PRO A 18 -10.589 -4.848 -9.159 1.00 0.00 O ATOM 256 CB PRO A 18 -13.038 -4.049 -6.974 1.00 0.00 C ATOM 257 CG PRO A 18 -12.639 -3.297 -5.686 1.00 0.00 C ATOM 258 CD PRO A 18 -11.246 -3.793 -5.255 1.00 0.00 C ATOM 0 HA PRO A 18 -12.338 -6.123 -6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.084 -3.365 -7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.028 -4.494 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.622 -2.222 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.369 -3.479 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.546 -2.965 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.287 -4.303 -4.293 1.00 0.00 H new ATOM 266 N ARG A 19 -12.515 -5.945 -9.416 1.00 0.00 N ATOM 267 CA ARG A 19 -12.345 -6.212 -10.888 1.00 0.00 C ATOM 268 C ARG A 19 -11.155 -7.165 -11.123 1.00 0.00 C ATOM 269 O ARG A 19 -10.505 -7.153 -12.150 1.00 0.00 O ATOM 270 CB ARG A 19 -12.107 -4.863 -11.658 1.00 0.00 C ATOM 271 CG ARG A 19 -13.109 -3.758 -11.215 1.00 0.00 C ATOM 272 CD ARG A 19 -14.574 -4.206 -11.433 1.00 0.00 C ATOM 273 NE ARG A 19 -14.778 -4.545 -12.878 1.00 0.00 N ATOM 274 CZ ARG A 19 -14.965 -3.620 -13.789 1.00 0.00 C ATOM 275 NH1 ARG A 19 -14.980 -2.355 -13.464 1.00 0.00 N ATOM 276 NH2 ARG A 19 -15.133 -4.004 -15.023 1.00 0.00 N ATOM 0 H ARG A 19 -13.383 -6.313 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.254 -6.681 -11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.087 -4.520 -11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.206 -5.034 -12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.952 -3.522 -10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.918 -2.844 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.798 -5.071 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.258 -3.412 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.771 -5.525 -13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.845 -2.077 -12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.126 -1.646 -14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.117 -4.997 -15.255 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.281 -3.311 -15.757 1.00 0.00 H new ATOM 290 N SER A 20 -10.940 -7.968 -10.113 1.00 0.00 N ATOM 291 CA SER A 20 -9.863 -8.997 -10.055 1.00 0.00 C ATOM 292 C SER A 20 -10.035 -9.609 -8.660 1.00 0.00 C ATOM 293 O SER A 20 -9.834 -8.957 -7.654 1.00 0.00 O ATOM 294 CB SER A 20 -8.457 -8.334 -10.216 1.00 0.00 C ATOM 295 OG SER A 20 -8.387 -7.296 -9.251 1.00 0.00 O ATOM 0 H SER A 20 -11.512 -7.945 -9.269 1.00 0.00 H new ATOM 0 HA SER A 20 -9.930 -9.738 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.664 -9.064 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.329 -7.937 -11.223 1.00 0.00 H new ATOM 0 HG SER A 20 -9.082 -7.432 -8.573 1.00 0.00 H new ATOM 301 N GLU A 21 -10.409 -10.861 -8.662 1.00 0.00 N ATOM 302 CA GLU A 21 -10.637 -11.620 -7.406 1.00 0.00 C ATOM 303 C GLU A 21 -9.326 -11.981 -6.695 1.00 0.00 C ATOM 304 O GLU A 21 -8.771 -13.050 -6.861 1.00 0.00 O ATOM 305 CB GLU A 21 -11.448 -12.898 -7.759 1.00 0.00 C ATOM 306 CG GLU A 21 -12.891 -12.538 -8.221 1.00 0.00 C ATOM 307 CD GLU A 21 -12.880 -11.663 -9.492 1.00 0.00 C ATOM 308 OE1 GLU A 21 -12.577 -12.222 -10.533 1.00 0.00 O ATOM 309 OE2 GLU A 21 -13.170 -10.485 -9.353 1.00 0.00 O ATOM 0 H GLU A 21 -10.570 -11.402 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.194 -10.994 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.937 -13.450 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.494 -13.554 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.451 -13.453 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.409 -12.010 -7.420 1.00 0.00 H new ATOM 316 N GLU A 22 -8.903 -11.016 -5.914 1.00 0.00 N ATOM 317 CA GLU A 22 -7.654 -11.081 -5.093 1.00 0.00 C ATOM 318 C GLU A 22 -6.499 -11.820 -5.786 1.00 0.00 C ATOM 319 O GLU A 22 -5.806 -12.632 -5.202 1.00 0.00 O ATOM 320 CB GLU A 22 -8.013 -11.762 -3.736 1.00 0.00 C ATOM 321 CG GLU A 22 -7.366 -10.986 -2.569 1.00 0.00 C ATOM 322 CD GLU A 22 -5.831 -10.916 -2.721 1.00 0.00 C ATOM 323 OE1 GLU A 22 -5.207 -11.902 -2.362 1.00 0.00 O ATOM 324 OE2 GLU A 22 -5.367 -9.886 -3.186 1.00 0.00 O ATOM 0 H GLU A 22 -9.406 -10.135 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.290 -10.065 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.095 -11.791 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.665 -12.795 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.776 -9.977 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.618 -11.469 -1.625 1.00 0.00 H new ATOM 331 N LYS A 23 -6.340 -11.488 -7.040 1.00 0.00 N ATOM 332 CA LYS A 23 -5.274 -12.096 -7.873 1.00 0.00 C ATOM 333 C LYS A 23 -4.143 -11.047 -7.783 1.00 0.00 C ATOM 334 O LYS A 23 -3.731 -10.728 -6.684 1.00 0.00 O ATOM 335 CB LYS A 23 -5.859 -12.296 -9.305 1.00 0.00 C ATOM 336 CG LYS A 23 -4.810 -12.906 -10.292 1.00 0.00 C ATOM 337 CD LYS A 23 -5.379 -12.958 -11.731 1.00 0.00 C ATOM 338 CE LYS A 23 -6.584 -13.917 -11.816 1.00 0.00 C ATOM 339 NZ LYS A 23 -7.068 -13.991 -13.222 1.00 0.00 N ATOM 0 H LYS A 23 -6.920 -10.805 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.905 -13.076 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.729 -12.951 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.205 -11.337 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.899 -12.308 -10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.538 -13.910 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.683 -11.958 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.601 -13.284 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.297 -14.909 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.385 -13.569 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.880 -14.638 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.358 -13.044 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.304 -14.342 -13.834 1.00 0.00 H new ATOM 353 N LYS A 24 -3.666 -10.535 -8.890 1.00 0.00 N ATOM 354 CA LYS A 24 -2.571 -9.514 -8.884 1.00 0.00 C ATOM 355 C LYS A 24 -2.285 -9.166 -10.346 1.00 0.00 C ATOM 356 O LYS A 24 -2.256 -10.038 -11.194 1.00 0.00 O ATOM 357 CB LYS A 24 -1.232 -10.045 -8.265 1.00 0.00 C ATOM 358 CG LYS A 24 -1.155 -11.597 -8.184 1.00 0.00 C ATOM 359 CD LYS A 24 0.293 -12.058 -7.879 1.00 0.00 C ATOM 360 CE LYS A 24 0.847 -11.397 -6.600 1.00 0.00 C ATOM 361 NZ LYS A 24 -0.053 -11.653 -5.441 1.00 0.00 N ATOM 0 H LYS A 24 -3.998 -10.788 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.901 -8.668 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.396 -9.679 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.115 -9.631 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.829 -11.960 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.490 -12.032 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.313 -13.142 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.938 -11.813 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.843 -11.786 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.951 -10.323 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.473 -11.510 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.859 -10.996 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.402 -12.632 -5.482 1.00 0.00 H new ATOM 375 N ASN A 25 -2.080 -7.899 -10.591 1.00 0.00 N ATOM 376 CA ASN A 25 -1.784 -7.415 -11.972 1.00 0.00 C ATOM 377 C ASN A 25 -0.271 -7.534 -12.257 1.00 0.00 C ATOM 378 O ASN A 25 0.329 -6.669 -12.868 1.00 0.00 O ATOM 379 CB ASN A 25 -2.279 -5.941 -12.068 1.00 0.00 C ATOM 380 CG ASN A 25 -3.597 -5.904 -12.849 1.00 0.00 C ATOM 381 OD1 ASN A 25 -4.668 -6.036 -12.290 1.00 0.00 O ATOM 382 ND2 ASN A 25 -3.563 -5.730 -14.142 1.00 0.00 N ATOM 0 H ASN A 25 -2.106 -7.167 -9.881 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.297 -8.017 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.422 -5.527 -11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.530 -5.325 -12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.432 -5.706 -14.676 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.668 -5.618 -14.618 1.00 0.00 H new ATOM 389 N ASP A 26 0.298 -8.626 -11.796 1.00 0.00 N ATOM 390 CA ASP A 26 1.758 -8.911 -11.978 1.00 0.00 C ATOM 391 C ASP A 26 2.600 -7.733 -11.455 1.00 0.00 C ATOM 392 O ASP A 26 3.225 -7.014 -12.209 1.00 0.00 O ATOM 393 CB ASP A 26 2.012 -9.177 -13.502 1.00 0.00 C ATOM 394 CG ASP A 26 2.715 -10.536 -13.660 1.00 0.00 C ATOM 395 OD1 ASP A 26 1.993 -11.514 -13.784 1.00 0.00 O ATOM 396 OD2 ASP A 26 3.935 -10.520 -13.645 1.00 0.00 O ATOM 0 H ASP A 26 -0.206 -9.352 -11.286 1.00 0.00 H new ATOM 0 HA ASP A 26 2.055 -9.790 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.068 -9.175 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.627 -8.383 -13.926 1.00 0.00 H new ATOM 401 N ARG A 27 2.571 -7.603 -10.150 1.00 0.00 N ATOM 402 CA ARG A 27 3.303 -6.535 -9.402 1.00 0.00 C ATOM 403 C ARG A 27 3.245 -5.143 -10.068 1.00 0.00 C ATOM 404 O ARG A 27 3.954 -4.842 -11.008 1.00 0.00 O ATOM 405 CB ARG A 27 4.753 -7.043 -9.231 1.00 0.00 C ATOM 406 CG ARG A 27 5.708 -5.899 -8.805 1.00 0.00 C ATOM 407 CD ARG A 27 7.058 -6.481 -8.344 1.00 0.00 C ATOM 408 NE ARG A 27 8.027 -5.357 -8.134 1.00 0.00 N ATOM 409 CZ ARG A 27 7.886 -4.478 -7.173 1.00 0.00 C ATOM 410 NH1 ARG A 27 6.879 -4.546 -6.345 1.00 0.00 N ATOM 411 NH2 ARG A 27 8.780 -3.535 -7.067 1.00 0.00 N ATOM 0 H ARG A 27 2.040 -8.229 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 27 2.821 -6.369 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.776 -7.836 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.100 -7.479 -10.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.864 -5.215 -9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.258 -5.320 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.929 -7.045 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.443 -7.176 -9.090 1.00 0.00 H new ATOM 0 HE ARG A 27 8.826 -5.273 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.189 -5.291 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.782 -3.854 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.561 -3.497 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.698 -2.835 -6.329 1.00 0.00 H new ATOM 425 N ILE A 28 2.374 -4.336 -9.525 1.00 0.00 N ATOM 426 CA ILE A 28 2.149 -2.963 -9.997 1.00 0.00 C ATOM 427 C ILE A 28 3.215 -2.081 -9.303 1.00 0.00 C ATOM 428 O ILE A 28 4.067 -2.563 -8.580 1.00 0.00 O ATOM 429 CB ILE A 28 0.692 -2.565 -9.608 1.00 0.00 C ATOM 430 CG1 ILE A 28 -0.406 -3.663 -9.934 1.00 0.00 C ATOM 431 CG2 ILE A 28 0.230 -1.314 -10.356 1.00 0.00 C ATOM 432 CD1 ILE A 28 -0.455 -4.866 -8.962 1.00 0.00 C ATOM 0 H ILE A 28 1.786 -4.599 -8.734 1.00 0.00 H new ATOM 0 HA ILE A 28 2.247 -2.847 -11.076 1.00 0.00 H new ATOM 0 HB ILE A 28 0.761 -2.418 -8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.384 -3.183 -9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.230 -4.039 -10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.789 -1.068 -10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.890 -0.481 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.260 -1.500 -11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.239 -5.555 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.506 -5.381 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.666 -4.511 -7.954 1.00 0.00 H new ATOM 444 N CYS A 29 3.118 -0.809 -9.558 1.00 0.00 N ATOM 445 CA CYS A 29 4.043 0.216 -8.991 1.00 0.00 C ATOM 446 C CYS A 29 3.061 1.293 -8.497 1.00 0.00 C ATOM 447 O CYS A 29 2.864 2.312 -9.133 1.00 0.00 O ATOM 448 CB CYS A 29 4.949 0.686 -10.147 1.00 0.00 C ATOM 449 SG CYS A 29 6.514 1.514 -9.773 1.00 0.00 S ATOM 0 H CYS A 29 2.399 -0.417 -10.167 1.00 0.00 H new ATOM 0 HA CYS A 29 4.709 -0.100 -8.188 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.179 -0.187 -10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.362 1.363 -10.768 1.00 0.00 H new ATOM 454 N THR A 30 2.471 1.017 -7.358 1.00 0.00 N ATOM 455 CA THR A 30 1.476 1.957 -6.749 1.00 0.00 C ATOM 456 C THR A 30 1.671 2.205 -5.237 1.00 0.00 C ATOM 457 O THR A 30 2.554 1.650 -4.608 1.00 0.00 O ATOM 458 CB THR A 30 0.076 1.345 -7.083 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.922 2.138 -6.456 1.00 0.00 O ATOM 460 CG2 THR A 30 -0.075 -0.083 -6.507 1.00 0.00 C ATOM 0 H THR A 30 2.639 0.169 -6.817 1.00 0.00 H new ATOM 0 HA THR A 30 1.598 2.956 -7.167 1.00 0.00 H new ATOM 0 HB THR A 30 -0.024 1.317 -8.168 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.729 2.147 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.060 -0.475 -6.759 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.693 -0.730 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.036 -0.052 -5.423 1.00 0.00 H new ATOM 468 N ASN A 31 0.816 3.059 -4.723 1.00 0.00 N ATOM 469 CA ASN A 31 0.821 3.447 -3.281 1.00 0.00 C ATOM 470 C ASN A 31 -0.600 3.306 -2.710 1.00 0.00 C ATOM 471 O ASN A 31 -1.572 3.473 -3.424 1.00 0.00 O ATOM 472 CB ASN A 31 1.326 4.922 -3.170 1.00 0.00 C ATOM 473 CG ASN A 31 0.515 5.896 -4.030 1.00 0.00 C ATOM 474 OD1 ASN A 31 -0.683 5.796 -4.167 1.00 0.00 O ATOM 475 ND2 ASN A 31 1.134 6.869 -4.633 1.00 0.00 N ATOM 0 H ASN A 31 0.088 3.519 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 31 1.483 2.798 -2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.279 5.239 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.373 4.966 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.609 7.529 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.144 6.972 -4.531 1.00 0.00 H new ATOM 482 N CYS A 32 -0.684 2.998 -1.439 1.00 0.00 N ATOM 483 CA CYS A 32 -2.026 2.844 -0.793 1.00 0.00 C ATOM 484 C CYS A 32 -2.725 4.217 -0.793 1.00 0.00 C ATOM 485 O CYS A 32 -3.932 4.303 -0.903 1.00 0.00 O ATOM 486 CB CYS A 32 -1.852 2.345 0.660 1.00 0.00 C ATOM 487 SG CYS A 32 -3.376 2.058 1.596 1.00 0.00 S ATOM 0 H CYS A 32 0.115 2.847 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.626 2.119 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.284 1.415 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.249 3.073 1.202 1.00 0.00 H new ATOM 492 N CYS A 33 -1.910 5.239 -0.678 1.00 0.00 N ATOM 493 CA CYS A 33 -2.368 6.667 -0.653 1.00 0.00 C ATOM 494 C CYS A 33 -3.317 7.028 -1.801 1.00 0.00 C ATOM 495 O CYS A 33 -4.176 7.875 -1.646 1.00 0.00 O ATOM 496 CB CYS A 33 -1.113 7.550 -0.692 1.00 0.00 C ATOM 497 SG CYS A 33 -1.322 9.318 -1.005 1.00 0.00 S ATOM 0 H CYS A 33 -0.899 5.135 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.947 6.829 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.598 7.439 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.450 7.152 -1.460 1.00 0.00 H new ATOM 502 N ALA A 34 -3.118 6.376 -2.915 1.00 0.00 N ATOM 503 CA ALA A 34 -3.972 6.617 -4.120 1.00 0.00 C ATOM 504 C ALA A 34 -5.077 5.553 -4.162 1.00 0.00 C ATOM 505 O ALA A 34 -6.211 5.838 -4.493 1.00 0.00 O ATOM 506 CB ALA A 34 -3.125 6.510 -5.380 1.00 0.00 C ATOM 0 H ALA A 34 -2.389 5.675 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.411 7.613 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.751 6.686 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.329 7.254 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.688 5.513 -5.441 1.00 0.00 H new ATOM 512 N GLY A 35 -4.662 4.358 -3.814 1.00 0.00 N ATOM 513 CA GLY A 35 -5.537 3.142 -3.773 1.00 0.00 C ATOM 514 C GLY A 35 -7.023 3.342 -3.457 1.00 0.00 C ATOM 515 O GLY A 35 -7.409 4.203 -2.694 1.00 0.00 O ATOM 0 H GLY A 35 -3.697 4.168 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.464 2.644 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.126 2.458 -3.031 1.00 0.00 H new ATOM 519 N THR A 36 -7.813 2.506 -4.079 1.00 0.00 N ATOM 520 CA THR A 36 -9.296 2.543 -3.899 1.00 0.00 C ATOM 521 C THR A 36 -9.628 1.684 -2.682 1.00 0.00 C ATOM 522 O THR A 36 -8.753 1.067 -2.112 1.00 0.00 O ATOM 523 CB THR A 36 -9.993 1.944 -5.106 1.00 0.00 C ATOM 524 OG1 THR A 36 -9.228 2.304 -6.250 1.00 0.00 O ATOM 525 CG2 THR A 36 -11.378 2.552 -5.396 1.00 0.00 C ATOM 0 H THR A 36 -7.485 1.783 -4.719 1.00 0.00 H new ATOM 0 HA THR A 36 -9.627 3.574 -3.774 1.00 0.00 H new ATOM 0 HB THR A 36 -10.093 0.877 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.647 1.932 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.810 2.071 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.031 2.395 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.274 3.621 -5.583 1.00 0.00 H new ATOM 533 N LYS A 37 -10.887 1.672 -2.338 1.00 0.00 N ATOM 534 CA LYS A 37 -11.370 0.878 -1.169 1.00 0.00 C ATOM 535 C LYS A 37 -11.491 -0.585 -1.618 1.00 0.00 C ATOM 536 O LYS A 37 -11.684 -0.862 -2.787 1.00 0.00 O ATOM 537 CB LYS A 37 -12.737 1.483 -0.723 1.00 0.00 C ATOM 538 CG LYS A 37 -13.717 0.419 -0.155 1.00 0.00 C ATOM 539 CD LYS A 37 -15.087 1.037 0.243 1.00 0.00 C ATOM 540 CE LYS A 37 -14.974 2.013 1.440 1.00 0.00 C ATOM 541 NZ LYS A 37 -14.323 3.291 1.038 1.00 0.00 N ATOM 0 H LYS A 37 -11.617 2.190 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.689 0.914 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.560 2.247 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.203 1.980 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.875 -0.362 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.268 -0.058 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.506 1.565 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.783 0.237 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.967 2.218 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.399 1.546 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.348 3.312 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.311 3.363 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.856 4.092 1.434 1.00 0.00 H new ATOM 555 N GLY A 38 -11.370 -1.477 -0.667 1.00 0.00 N ATOM 556 CA GLY A 38 -11.468 -2.936 -0.974 1.00 0.00 C ATOM 557 C GLY A 38 -10.124 -3.510 -1.437 1.00 0.00 C ATOM 558 O GLY A 38 -9.927 -4.709 -1.384 1.00 0.00 O ATOM 0 H GLY A 38 -11.206 -1.255 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.807 -3.472 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.218 -3.095 -1.749 1.00 0.00 H new ATOM 562 N CYS A 39 -9.237 -2.647 -1.876 1.00 0.00 N ATOM 563 CA CYS A 39 -7.897 -3.102 -2.350 1.00 0.00 C ATOM 564 C CYS A 39 -7.068 -3.777 -1.249 1.00 0.00 C ATOM 565 O CYS A 39 -7.472 -3.834 -0.109 1.00 0.00 O ATOM 566 CB CYS A 39 -7.165 -1.871 -2.916 1.00 0.00 C ATOM 567 SG CYS A 39 -7.903 -0.981 -4.314 1.00 0.00 S ATOM 0 H CYS A 39 -9.389 -1.640 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.032 -3.865 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.039 -1.158 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.167 -2.190 -3.218 1.00 0.00 H new ATOM 572 N LYS A 40 -5.930 -4.280 -1.641 1.00 0.00 N ATOM 573 CA LYS A 40 -4.981 -4.977 -0.723 1.00 0.00 C ATOM 574 C LYS A 40 -3.543 -4.675 -1.154 1.00 0.00 C ATOM 575 O LYS A 40 -3.004 -5.321 -2.031 1.00 0.00 O ATOM 576 CB LYS A 40 -5.225 -6.503 -0.776 1.00 0.00 C ATOM 577 CG LYS A 40 -6.593 -6.850 -0.151 1.00 0.00 C ATOM 578 CD LYS A 40 -6.875 -8.363 -0.261 1.00 0.00 C ATOM 579 CE LYS A 40 -5.870 -9.187 0.569 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.187 -10.639 0.451 1.00 0.00 N ATOM 0 H LYS A 40 -5.604 -4.234 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.140 -4.624 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.192 -6.847 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.431 -7.024 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.607 -6.548 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.381 -6.291 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.889 -8.571 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.823 -8.669 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.855 -8.998 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.910 -8.881 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.128 -11.084 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.149 -10.755 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.505 -11.092 -0.191 1.00 0.00 H new ATOM 594 N TYR A 41 -2.981 -3.680 -0.515 1.00 0.00 N ATOM 595 CA TYR A 41 -1.583 -3.243 -0.787 1.00 0.00 C ATOM 596 C TYR A 41 -0.563 -3.977 0.104 1.00 0.00 C ATOM 597 O TYR A 41 -0.663 -3.925 1.313 1.00 0.00 O ATOM 598 CB TYR A 41 -1.498 -1.739 -0.532 1.00 0.00 C ATOM 599 CG TYR A 41 -2.093 -0.950 -1.706 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.452 -0.942 -1.970 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.252 -0.225 -2.525 1.00 0.00 C ATOM 602 CE1 TYR A 41 -3.951 -0.222 -3.038 1.00 0.00 C ATOM 603 CE2 TYR A 41 -1.754 0.489 -3.584 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.101 0.500 -3.852 1.00 0.00 C ATOM 605 OH TYR A 41 -3.575 1.223 -4.925 1.00 0.00 O ATOM 0 H TYR A 41 -3.453 -3.137 0.208 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.337 -3.482 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.031 -1.491 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.458 -1.449 -0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.125 -1.502 -1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.190 -0.219 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.012 -0.224 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.081 1.050 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.821 1.549 -5.459 1.00 0.00 H new ATOM 615 N PHE A 42 0.373 -4.648 -0.525 1.00 0.00 N ATOM 616 CA PHE A 42 1.443 -5.403 0.184 1.00 0.00 C ATOM 617 C PHE A 42 2.848 -4.985 -0.286 1.00 0.00 C ATOM 618 O PHE A 42 3.042 -4.598 -1.426 1.00 0.00 O ATOM 619 CB PHE A 42 1.309 -6.910 -0.071 1.00 0.00 C ATOM 620 CG PHE A 42 0.102 -7.309 -0.923 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.054 -7.006 -2.269 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.946 -7.995 -0.342 1.00 0.00 C ATOM 623 CE1 PHE A 42 -1.033 -7.389 -3.020 1.00 0.00 C ATOM 624 CE2 PHE A 42 -2.032 -8.378 -1.092 1.00 0.00 C ATOM 625 CZ PHE A 42 -2.076 -8.076 -2.433 1.00 0.00 C ATOM 0 H PHE A 42 0.436 -4.702 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 42 1.324 -5.175 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.216 -7.264 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.245 -7.423 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.869 -6.469 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.912 -8.233 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.070 -7.151 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.848 -8.914 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.927 -8.376 -3.027 1.00 0.00 H new ATOM 635 N SER A 43 3.766 -5.095 0.646 1.00 0.00 N ATOM 636 CA SER A 43 5.195 -4.766 0.444 1.00 0.00 C ATOM 637 C SER A 43 5.894 -5.828 -0.408 1.00 0.00 C ATOM 638 O SER A 43 5.288 -6.762 -0.899 1.00 0.00 O ATOM 639 CB SER A 43 5.847 -4.684 1.802 1.00 0.00 C ATOM 640 OG SER A 43 5.300 -3.537 2.428 1.00 0.00 O ATOM 0 H SER A 43 3.557 -5.420 1.590 1.00 0.00 H new ATOM 0 HA SER A 43 5.279 -3.817 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.645 -5.581 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.930 -4.600 1.711 1.00 0.00 H new ATOM 0 HG SER A 43 5.768 -2.737 2.111 1.00 0.00 H new ATOM 646 N ASP A 44 7.177 -5.618 -0.533 1.00 0.00 N ATOM 647 CA ASP A 44 8.062 -6.527 -1.329 1.00 0.00 C ATOM 648 C ASP A 44 8.740 -7.604 -0.477 1.00 0.00 C ATOM 649 O ASP A 44 9.130 -8.633 -0.997 1.00 0.00 O ATOM 650 CB ASP A 44 9.130 -5.663 -2.034 1.00 0.00 C ATOM 651 CG ASP A 44 9.288 -6.133 -3.490 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.950 -7.143 -3.664 1.00 0.00 O ATOM 653 OD2 ASP A 44 8.736 -5.457 -4.344 1.00 0.00 O ATOM 0 H ASP A 44 7.665 -4.831 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 44 7.440 -7.057 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.839 -4.613 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.082 -5.742 -1.509 1.00 0.00 H new ATOM 658 N ASP A 45 8.862 -7.343 0.799 1.00 0.00 N ATOM 659 CA ASP A 45 9.512 -8.328 1.721 1.00 0.00 C ATOM 660 C ASP A 45 8.564 -9.498 2.052 1.00 0.00 C ATOM 661 O ASP A 45 8.871 -10.316 2.898 1.00 0.00 O ATOM 662 CB ASP A 45 9.924 -7.592 3.015 1.00 0.00 C ATOM 663 CG ASP A 45 8.673 -7.125 3.782 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.094 -6.143 3.349 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.367 -7.784 4.762 1.00 0.00 O ATOM 0 H ASP A 45 8.538 -6.485 1.246 1.00 0.00 H new ATOM 0 HA ASP A 45 10.390 -8.749 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.520 -8.253 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.551 -6.735 2.771 1.00 0.00 H new ATOM 670 N GLY A 46 7.440 -9.538 1.379 1.00 0.00 N ATOM 671 CA GLY A 46 6.440 -10.606 1.598 1.00 0.00 C ATOM 672 C GLY A 46 5.672 -10.340 2.891 1.00 0.00 C ATOM 673 O GLY A 46 5.675 -11.151 3.796 1.00 0.00 O ATOM 0 H GLY A 46 7.176 -8.853 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.749 -10.648 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.936 -11.575 1.652 1.00 0.00 H new ATOM 677 N THR A 47 5.036 -9.194 2.918 1.00 0.00 N ATOM 678 CA THR A 47 4.236 -8.756 4.081 1.00 0.00 C ATOM 679 C THR A 47 3.145 -7.778 3.626 1.00 0.00 C ATOM 680 O THR A 47 3.380 -6.910 2.809 1.00 0.00 O ATOM 681 CB THR A 47 5.169 -8.074 5.089 1.00 0.00 C ATOM 682 OG1 THR A 47 6.032 -9.101 5.557 1.00 0.00 O ATOM 683 CG2 THR A 47 4.426 -7.592 6.351 1.00 0.00 C ATOM 0 H THR A 47 5.046 -8.527 2.147 1.00 0.00 H new ATOM 0 HA THR A 47 3.756 -9.616 4.547 1.00 0.00 H new ATOM 0 HB THR A 47 5.649 -7.225 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.963 -8.853 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.134 -7.117 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.656 -6.874 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.962 -8.444 6.848 1.00 0.00 H new ATOM 691 N PHE A 48 1.980 -7.969 4.188 1.00 0.00 N ATOM 692 CA PHE A 48 0.793 -7.118 3.875 1.00 0.00 C ATOM 693 C PHE A 48 0.886 -5.728 4.529 1.00 0.00 C ATOM 694 O PHE A 48 1.266 -5.614 5.679 1.00 0.00 O ATOM 695 CB PHE A 48 -0.454 -7.888 4.362 1.00 0.00 C ATOM 696 CG PHE A 48 -1.683 -6.968 4.386 1.00 0.00 C ATOM 697 CD1 PHE A 48 -1.955 -6.251 5.536 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.517 -6.836 3.291 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.041 -5.413 5.599 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.607 -5.995 3.354 1.00 0.00 C ATOM 701 CZ PHE A 48 -3.865 -5.285 4.510 1.00 0.00 C ATOM 0 H PHE A 48 1.797 -8.703 4.872 1.00 0.00 H new ATOM 0 HA PHE A 48 0.739 -6.932 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.642 -8.738 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.274 -8.289 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.307 -6.351 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.314 -7.391 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.245 -4.857 6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.259 -5.891 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.719 -4.626 4.557 1.00 0.00 H new ATOM 711 N VAL A 49 0.534 -4.720 3.765 1.00 0.00 N ATOM 712 CA VAL A 49 0.572 -3.310 4.277 1.00 0.00 C ATOM 713 C VAL A 49 -0.836 -2.766 4.586 1.00 0.00 C ATOM 714 O VAL A 49 -1.193 -2.677 5.744 1.00 0.00 O ATOM 715 CB VAL A 49 1.263 -2.405 3.220 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.366 -0.958 3.752 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.672 -2.939 2.964 1.00 0.00 C ATOM 0 H VAL A 49 0.219 -4.814 2.799 1.00 0.00 H new ATOM 0 HA VAL A 49 1.134 -3.305 5.211 1.00 0.00 H new ATOM 0 HB VAL A 49 0.679 -2.410 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.852 -0.330 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.367 -0.573 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.953 -0.949 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.169 -2.313 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.241 -2.924 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.611 -3.962 2.593 1.00 0.00 H new ATOM 727 N CYS A 50 -1.594 -2.420 3.566 1.00 0.00 N ATOM 728 CA CYS A 50 -2.974 -1.876 3.797 1.00 0.00 C ATOM 729 C CYS A 50 -4.006 -2.621 2.953 1.00 0.00 C ATOM 730 O CYS A 50 -3.657 -3.378 2.071 1.00 0.00 O ATOM 731 CB CYS A 50 -3.018 -0.373 3.413 1.00 0.00 C ATOM 732 SG CYS A 50 -3.554 0.050 1.732 1.00 0.00 S ATOM 0 H CYS A 50 -1.316 -2.491 2.587 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.212 -2.007 4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.681 0.133 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.021 0.041 3.562 1.00 0.00 H new ATOM 737 N GLU A 51 -5.250 -2.375 3.274 1.00 0.00 N ATOM 738 CA GLU A 51 -6.397 -3.002 2.560 1.00 0.00 C ATOM 739 C GLU A 51 -7.403 -1.898 2.242 1.00 0.00 C ATOM 740 O GLU A 51 -8.166 -1.456 3.079 1.00 0.00 O ATOM 741 CB GLU A 51 -6.984 -4.116 3.484 1.00 0.00 C ATOM 742 CG GLU A 51 -8.537 -4.319 3.459 1.00 0.00 C ATOM 743 CD GLU A 51 -9.103 -4.532 2.043 1.00 0.00 C ATOM 744 OE1 GLU A 51 -8.908 -5.621 1.528 1.00 0.00 O ATOM 745 OE2 GLU A 51 -9.707 -3.590 1.554 1.00 0.00 O ATOM 0 H GLU A 51 -5.524 -1.744 4.027 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.109 -3.471 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.515 -5.062 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.688 -3.895 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.794 -5.179 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.017 -3.449 3.907 1.00 0.00 H new ATOM 752 N GLY A 52 -7.345 -1.483 1.004 1.00 0.00 N ATOM 753 CA GLY A 52 -8.252 -0.416 0.507 1.00 0.00 C ATOM 754 C GLY A 52 -7.876 0.970 1.044 1.00 0.00 C ATOM 755 O GLY A 52 -7.115 1.074 1.988 1.00 0.00 O ATOM 0 H GLY A 52 -6.695 -1.847 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.226 -0.400 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.276 -0.649 0.798 1.00 0.00 H new ATOM 759 N GLU A 53 -8.421 1.995 0.432 1.00 0.00 N ATOM 760 CA GLU A 53 -8.123 3.388 0.873 1.00 0.00 C ATOM 761 C GLU A 53 -9.110 4.423 0.296 1.00 0.00 C ATOM 762 O GLU A 53 -9.438 5.338 1.029 1.00 0.00 O ATOM 763 CB GLU A 53 -6.645 3.700 0.466 1.00 0.00 C ATOM 764 CG GLU A 53 -6.189 5.109 0.938 1.00 0.00 C ATOM 765 CD GLU A 53 -6.609 6.199 -0.064 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.160 6.092 -1.194 1.00 0.00 O ATOM 767 OE2 GLU A 53 -7.350 7.077 0.345 1.00 0.00 O ATOM 0 H GLU A 53 -9.062 1.922 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.245 3.462 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.985 2.945 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.547 3.633 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.621 5.325 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.106 5.121 1.059 1.00 0.00 H new ATOM 774 N SER A 54 -9.571 4.305 -0.937 1.00 0.00 N ATOM 775 CA SER A 54 -10.536 5.349 -1.443 1.00 0.00 C ATOM 776 C SER A 54 -11.866 4.693 -1.848 1.00 0.00 C ATOM 777 O SER A 54 -12.704 4.636 -0.963 1.00 0.00 O ATOM 778 CB SER A 54 -9.899 6.103 -2.657 1.00 0.00 C ATOM 779 OG SER A 54 -8.741 6.715 -2.117 1.00 0.00 O ATOM 0 H SER A 54 -9.332 3.561 -1.593 1.00 0.00 H new ATOM 0 HA SER A 54 -10.741 6.067 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.647 5.416 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.584 6.843 -3.071 1.00 0.00 H new ATOM 0 HG SER A 54 -7.988 6.089 -2.163 1.00 0.00 H new TER 785 SER A 54