USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 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 Single : A 1 ALA N :NH3+ 160:sc= -0.931! (180deg=-2.07) USER MOD Single : A 2 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 3 MET CE :methyl 180:sc= -0.167 (180deg=-0.167) USER MOD Single : A 6 THR OG1 : rot -20:sc= -1.49! USER MOD Single : A 9 ASN : amide:sc= 0.293 K(o=0.29,f=-1.9!) USER MOD Single : A 15 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.089) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.29 (180deg=-0.992) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -27! C(o=-27!,f=-23!) USER MOD Single : A 35 ASN : amide:sc= -3.35 K(o=-3.4,f=-8.1!) USER MOD Single : A 36 MET CE :methyl -134:sc= 0 (180deg=-0.0523) USER MOD Single : A 43 HIS : no HE2:sc= -19.6! C(o=-20!,f=-18!) USER MOD Single : A 49 TYR OH : rot -95:sc= -0.589 USER MOD Single : A 50 SER OG : rot 41:sc= 0.491 USER MOD Single : A 51 ASN : amide:sc= -0.966 K(o=-0.97,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.291 -0.434 -0.926 1.00 0.00 N ATOM 2 CA ALA A 1 9.601 -0.684 -2.358 1.00 0.00 C ATOM 3 C ALA A 1 8.346 -1.069 -3.133 1.00 0.00 C ATOM 4 O ALA A 1 7.420 -1.660 -2.580 1.00 0.00 O ATOM 5 CB ALA A 1 10.651 -1.780 -2.482 1.00 0.00 C ATOM 0 H1 ALA A 1 10.163 -0.509 -0.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.891 0.520 -0.819 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.602 -1.138 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 1 9.994 0.238 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.871 -1.956 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.561 -1.472 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.273 -2.698 -2.032 1.00 0.00 H new ATOM 13 N HIS A 2 8.329 -0.736 -4.421 1.00 0.00 N ATOM 14 CA HIS A 2 7.196 -1.054 -5.281 1.00 0.00 C ATOM 15 C HIS A 2 7.130 -2.559 -5.511 1.00 0.00 C ATOM 16 O HIS A 2 7.337 -3.039 -6.627 1.00 0.00 O ATOM 17 CB HIS A 2 7.327 -0.332 -6.627 1.00 0.00 C ATOM 18 CG HIS A 2 7.612 1.135 -6.510 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.630 2.080 -6.298 1.00 0.00 N ATOM 20 CD2 HIS A 2 8.778 1.820 -6.594 1.00 0.00 C ATOM 21 CE1 HIS A 2 7.178 3.281 -6.257 1.00 0.00 C ATOM 22 NE2 HIS A 2 8.479 3.151 -6.432 1.00 0.00 N ATOM 0 H HIS A 2 9.089 -0.245 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 2 6.281 -0.721 -4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.125 -0.801 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.404 -0.468 -7.191 1.00 0.00 H new ATOM 0 HD1 HIS A 2 5.635 1.882 -6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 2 9.759 1.399 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.651 4.211 -6.106 1.00 0.00 H new ATOM 31 N MET A 3 6.868 -3.301 -4.443 1.00 0.00 N ATOM 32 CA MET A 3 6.807 -4.762 -4.531 1.00 0.00 C ATOM 33 C MET A 3 5.422 -5.320 -4.178 1.00 0.00 C ATOM 34 O MET A 3 4.586 -5.514 -5.061 1.00 0.00 O ATOM 35 CB MET A 3 7.875 -5.386 -3.625 1.00 0.00 C ATOM 36 CG MET A 3 9.141 -5.788 -4.364 1.00 0.00 C ATOM 37 SD MET A 3 10.108 -4.367 -4.913 1.00 0.00 S ATOM 38 CE MET A 3 11.611 -4.594 -3.966 1.00 0.00 C ATOM 0 H MET A 3 6.695 -2.924 -3.511 1.00 0.00 H new ATOM 0 HA MET A 3 7.001 -5.029 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.133 -4.676 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.456 -6.265 -3.135 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.755 -6.410 -3.713 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.875 -6.397 -5.228 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.311 -3.791 -4.197 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.377 -4.577 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.061 -5.553 -4.223 1.00 0.00 H new ATOM 48 N ASP A 4 5.198 -5.601 -2.893 1.00 0.00 N ATOM 49 CA ASP A 4 3.928 -6.166 -2.426 1.00 0.00 C ATOM 50 C ASP A 4 2.723 -5.503 -3.094 1.00 0.00 C ATOM 51 O ASP A 4 2.843 -4.434 -3.692 1.00 0.00 O ATOM 52 CB ASP A 4 3.820 -6.034 -0.902 1.00 0.00 C ATOM 53 CG ASP A 4 3.484 -7.351 -0.231 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.882 -8.409 -0.764 1.00 0.00 O ATOM 55 OD2 ASP A 4 2.823 -7.326 0.828 1.00 0.00 O ATOM 0 H ASP A 4 5.883 -5.446 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 4 3.919 -7.220 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.762 -5.657 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.054 -5.298 -0.657 1.00 0.00 H new ATOM 60 N CYS A 5 1.563 -6.152 -2.985 1.00 0.00 N ATOM 61 CA CYS A 5 0.327 -5.629 -3.566 1.00 0.00 C ATOM 62 C CYS A 5 -0.896 -6.281 -2.926 1.00 0.00 C ATOM 63 O CYS A 5 -0.785 -6.953 -1.902 1.00 0.00 O ATOM 64 CB CYS A 5 0.307 -5.847 -5.080 1.00 0.00 C ATOM 65 SG CYS A 5 -0.308 -4.412 -6.016 1.00 0.00 S ATOM 0 H CYS A 5 1.454 -7.042 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 5 0.291 -4.558 -3.366 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.316 -6.085 -5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.317 -6.712 -5.306 1.00 0.00 H new ATOM 70 N THR A 6 -2.065 -6.079 -3.541 1.00 0.00 N ATOM 71 CA THR A 6 -3.310 -6.647 -3.037 1.00 0.00 C ATOM 72 C THR A 6 -3.119 -8.109 -2.621 1.00 0.00 C ATOM 73 O THR A 6 -2.822 -8.382 -1.458 1.00 0.00 O ATOM 74 CB THR A 6 -4.405 -6.533 -4.097 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.534 -5.193 -4.536 1.00 0.00 O ATOM 76 CG2 THR A 6 -5.761 -6.993 -3.607 1.00 0.00 C ATOM 0 H THR A 6 -2.171 -5.524 -4.390 1.00 0.00 H new ATOM 0 HA THR A 6 -3.611 -6.083 -2.154 1.00 0.00 H new ATOM 0 HB THR A 6 -4.093 -7.187 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.144 -4.591 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.493 -6.886 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.703 -8.039 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.065 -6.386 -2.754 1.00 0.00 H new ATOM 84 N GLU A 7 -3.286 -9.058 -3.556 1.00 0.00 N ATOM 85 CA GLU A 7 -3.119 -10.459 -3.217 1.00 0.00 C ATOM 86 C GLU A 7 -3.384 -11.361 -4.423 1.00 0.00 C ATOM 87 O GLU A 7 -2.843 -12.463 -4.510 1.00 0.00 O ATOM 88 CB GLU A 7 -4.047 -10.814 -2.049 1.00 0.00 C ATOM 89 CG GLU A 7 -5.035 -11.929 -2.347 1.00 0.00 C ATOM 90 CD GLU A 7 -5.839 -12.343 -1.131 1.00 0.00 C ATOM 91 OE1 GLU A 7 -5.345 -13.185 -0.351 1.00 0.00 O ATOM 92 OE2 GLU A 7 -6.964 -11.827 -0.958 1.00 0.00 O ATOM 0 H GLU A 7 -3.531 -8.876 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.085 -10.626 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.438 -11.104 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.602 -9.922 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.716 -11.604 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.494 -12.794 -2.731 1.00 0.00 H new ATOM 99 N PHE A 8 -4.229 -10.899 -5.343 1.00 0.00 N ATOM 100 CA PHE A 8 -4.564 -11.694 -6.526 1.00 0.00 C ATOM 101 C PHE A 8 -4.939 -10.792 -7.705 1.00 0.00 C ATOM 102 O PHE A 8 -4.482 -9.652 -7.787 1.00 0.00 O ATOM 103 CB PHE A 8 -5.720 -12.652 -6.197 1.00 0.00 C ATOM 104 CG PHE A 8 -5.343 -13.767 -5.262 1.00 0.00 C ATOM 105 CD1 PHE A 8 -4.233 -14.558 -5.514 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.104 -14.027 -4.133 1.00 0.00 C ATOM 107 CE1 PHE A 8 -3.889 -15.587 -4.657 1.00 0.00 C ATOM 108 CE2 PHE A 8 -5.764 -15.055 -3.272 1.00 0.00 C ATOM 109 CZ PHE A 8 -4.656 -15.835 -3.535 1.00 0.00 C ATOM 0 H PHE A 8 -4.690 -9.990 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.687 -12.275 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.537 -12.081 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.097 -13.082 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.630 -14.368 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.972 -13.420 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.022 -16.196 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.365 -15.247 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.389 -16.638 -2.864 1.00 0.00 H new ATOM 119 N ASN A 9 -5.781 -11.297 -8.611 1.00 0.00 N ATOM 120 CA ASN A 9 -6.209 -10.516 -9.763 1.00 0.00 C ATOM 121 C ASN A 9 -7.103 -9.375 -9.298 1.00 0.00 C ATOM 122 O ASN A 9 -6.851 -8.215 -9.623 1.00 0.00 O ATOM 123 CB ASN A 9 -6.955 -11.394 -10.776 1.00 0.00 C ATOM 124 CG ASN A 9 -6.385 -12.796 -10.868 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.588 -13.620 -9.976 1.00 0.00 O ATOM 126 ND2 ASN A 9 -5.664 -13.074 -11.947 1.00 0.00 N ATOM 0 H ASN A 9 -6.175 -12.237 -8.565 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.326 -10.109 -10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.007 -11.452 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.913 -10.924 -11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.253 -14.001 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.521 -12.361 -12.662 1.00 0.00 H new ATOM 133 N PRO A 10 -8.143 -9.672 -8.494 1.00 0.00 N ATOM 134 CA PRO A 10 -9.023 -8.636 -7.966 1.00 0.00 C ATOM 135 C PRO A 10 -8.280 -7.804 -6.931 1.00 0.00 C ATOM 136 O PRO A 10 -8.418 -8.019 -5.728 1.00 0.00 O ATOM 137 CB PRO A 10 -10.167 -9.418 -7.323 1.00 0.00 C ATOM 138 CG PRO A 10 -9.576 -10.739 -6.973 1.00 0.00 C ATOM 139 CD PRO A 10 -8.513 -11.016 -8.005 1.00 0.00 C ATOM 0 HA PRO A 10 -9.376 -7.940 -8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.546 -8.908 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.005 -9.530 -8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.149 -10.720 -5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.337 -11.519 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.658 -11.534 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.891 -11.645 -8.811 1.00 0.00 H new ATOM 147 N LEU A 11 -7.461 -6.881 -7.427 1.00 0.00 N ATOM 148 CA LEU A 11 -6.643 -6.015 -6.579 1.00 0.00 C ATOM 149 C LEU A 11 -7.439 -5.376 -5.459 1.00 0.00 C ATOM 150 O LEU A 11 -8.516 -5.844 -5.102 1.00 0.00 O ATOM 151 CB LEU A 11 -5.950 -4.942 -7.422 1.00 0.00 C ATOM 152 CG LEU A 11 -5.512 -5.374 -8.826 1.00 0.00 C ATOM 153 CD1 LEU A 11 -4.663 -4.291 -9.473 1.00 0.00 C ATOM 154 CD2 LEU A 11 -4.746 -6.688 -8.767 1.00 0.00 C ATOM 0 H LEU A 11 -7.345 -6.711 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.889 -6.648 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.625 -4.091 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.071 -4.592 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.404 -5.524 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.360 -4.613 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.243 -3.371 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.777 -4.111 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.444 -6.978 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.861 -6.565 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.385 -7.463 -8.342 1.00 0.00 H new ATOM 166 N CYS A 12 -6.850 -4.333 -4.888 1.00 0.00 N ATOM 167 CA CYS A 12 -7.409 -3.611 -3.750 1.00 0.00 C ATOM 168 C CYS A 12 -8.883 -3.888 -3.532 1.00 0.00 C ATOM 169 O CYS A 12 -9.747 -3.027 -3.699 1.00 0.00 O ATOM 170 CB CYS A 12 -7.177 -2.117 -3.904 1.00 0.00 C ATOM 171 SG CYS A 12 -8.045 -1.343 -5.307 1.00 0.00 S ATOM 0 H CYS A 12 -5.956 -3.958 -5.207 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.886 -3.977 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.488 -1.620 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.107 -1.940 -4.016 1.00 0.00 H new ATOM 176 N ARG A 13 -9.129 -5.113 -3.105 1.00 0.00 N ATOM 177 CA ARG A 13 -10.469 -5.579 -2.786 1.00 0.00 C ATOM 178 C ARG A 13 -10.671 -5.462 -1.278 1.00 0.00 C ATOM 179 O ARG A 13 -11.376 -6.255 -0.655 1.00 0.00 O ATOM 180 CB ARG A 13 -10.644 -7.033 -3.253 1.00 0.00 C ATOM 181 CG ARG A 13 -11.926 -7.701 -2.769 1.00 0.00 C ATOM 182 CD ARG A 13 -11.645 -8.717 -1.669 1.00 0.00 C ATOM 183 NE ARG A 13 -12.155 -10.047 -2.000 1.00 0.00 N ATOM 184 CZ ARG A 13 -13.296 -10.550 -1.526 1.00 0.00 C ATOM 185 NH1 ARG A 13 -14.068 -9.831 -0.719 1.00 0.00 N ATOM 186 NH2 ARG A 13 -13.667 -11.775 -1.867 1.00 0.00 N ATOM 0 H ARG A 13 -8.403 -5.817 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.215 -4.973 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.626 -7.056 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.791 -7.618 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.615 -6.942 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.418 -8.196 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.570 -8.775 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.099 -8.377 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.604 -10.626 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.790 -8.885 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.939 -10.225 -0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.081 -12.331 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.539 -12.163 -1.506 1.00 0.00 H new ATOM 200 N CYS A 14 -10.014 -4.463 -0.694 1.00 0.00 N ATOM 201 CA CYS A 14 -10.067 -4.220 0.718 1.00 0.00 C ATOM 202 C CYS A 14 -10.399 -2.764 0.985 1.00 0.00 C ATOM 203 O CYS A 14 -10.662 -1.984 0.069 1.00 0.00 O ATOM 204 CB CYS A 14 -8.717 -4.577 1.360 1.00 0.00 C ATOM 205 SG CYS A 14 -7.392 -5.016 0.176 1.00 0.00 S ATOM 0 H CYS A 14 -9.429 -3.802 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.846 -4.844 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.382 -3.731 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.866 -5.414 2.043 1.00 0.00 H new ATOM 210 N ASN A 15 -10.375 -2.424 2.248 1.00 0.00 N ATOM 211 CA ASN A 15 -10.663 -1.074 2.703 1.00 0.00 C ATOM 212 C ASN A 15 -10.324 -0.929 4.174 1.00 0.00 C ATOM 213 O ASN A 15 -9.611 -0.007 4.560 1.00 0.00 O ATOM 214 CB ASN A 15 -12.135 -0.748 2.492 1.00 0.00 C ATOM 215 CG ASN A 15 -12.348 0.437 1.571 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.243 0.428 0.726 1.00 0.00 O ATOM 217 ND2 ASN A 15 -11.522 1.465 1.729 1.00 0.00 N ATOM 0 H ASN A 15 -10.154 -3.076 3.001 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.053 -0.381 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.640 -1.620 2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.598 -0.541 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.616 2.290 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.794 1.429 2.443 1.00 0.00 H new ATOM 224 N LYS A 16 -10.865 -1.855 4.975 1.00 0.00 N ATOM 225 CA LYS A 16 -10.687 -1.901 6.434 1.00 0.00 C ATOM 226 C LYS A 16 -9.477 -1.108 6.912 1.00 0.00 C ATOM 227 O LYS A 16 -8.584 -1.643 7.572 1.00 0.00 O ATOM 228 CB LYS A 16 -10.564 -3.355 6.893 1.00 0.00 C ATOM 229 CG LYS A 16 -9.285 -4.037 6.425 1.00 0.00 C ATOM 230 CD LYS A 16 -9.550 -4.998 5.277 1.00 0.00 C ATOM 231 CE LYS A 16 -10.519 -6.098 5.679 1.00 0.00 C ATOM 232 NZ LYS A 16 -11.862 -5.913 5.061 1.00 0.00 N ATOM 0 H LYS A 16 -11.452 -2.610 4.620 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.568 -1.435 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.606 -3.388 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.422 -3.917 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.564 -3.283 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.836 -4.579 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.955 -4.448 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.610 -5.442 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.113 -7.065 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.619 -6.114 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.599 -6.103 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.955 -4.936 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.971 -6.571 4.263 1.00 0.00 H new ATOM 246 N MET A 17 -9.458 0.168 6.572 1.00 0.00 N ATOM 247 CA MET A 17 -8.358 1.041 6.964 1.00 0.00 C ATOM 248 C MET A 17 -8.344 1.256 8.466 1.00 0.00 C ATOM 249 O MET A 17 -8.759 2.299 8.970 1.00 0.00 O ATOM 250 CB MET A 17 -8.443 2.379 6.257 1.00 0.00 C ATOM 251 CG MET A 17 -9.845 2.967 6.213 1.00 0.00 C ATOM 252 SD MET A 17 -10.544 2.982 4.551 1.00 0.00 S ATOM 253 CE MET A 17 -12.282 2.735 4.913 1.00 0.00 C ATOM 0 H MET A 17 -10.188 0.625 6.026 1.00 0.00 H new ATOM 0 HA MET A 17 -7.431 0.549 6.670 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.779 3.085 6.756 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.076 2.263 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.496 2.392 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.819 3.985 6.601 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.849 2.721 3.982 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.414 1.786 5.433 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.641 3.548 5.544 1.00 0.00 H new ATOM 263 N LEU A 18 -7.860 0.251 9.166 1.00 0.00 N ATOM 264 CA LEU A 18 -7.776 0.286 10.615 1.00 0.00 C ATOM 265 C LEU A 18 -6.974 -0.898 11.142 1.00 0.00 C ATOM 266 O LEU A 18 -7.483 -1.712 11.914 1.00 0.00 O ATOM 267 CB LEU A 18 -9.178 0.283 11.216 1.00 0.00 C ATOM 268 CG LEU A 18 -10.203 -0.580 10.475 1.00 0.00 C ATOM 269 CD1 LEU A 18 -9.798 -2.045 10.510 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.588 -0.394 11.075 1.00 0.00 C ATOM 0 H LEU A 18 -7.514 -0.613 8.749 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.262 1.201 10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.113 -0.063 12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.545 1.309 11.247 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.232 -0.259 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.540 -2.640 9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.826 -2.165 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.738 -2.381 11.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.304 -1.015 10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.572 -0.686 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.882 0.653 10.994 1.00 0.00 H new ATOM 282 N GLY A 19 -5.721 -0.991 10.721 1.00 0.00 N ATOM 283 CA GLY A 19 -4.877 -2.084 11.164 1.00 0.00 C ATOM 284 C GLY A 19 -3.401 -1.831 10.925 1.00 0.00 C ATOM 285 O GLY A 19 -2.753 -1.122 11.695 1.00 0.00 O ATOM 0 H GLY A 19 -5.274 -0.332 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.043 -2.255 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.172 -2.996 10.645 1.00 0.00 H new ATOM 289 N ASP A 20 -2.866 -2.425 9.863 1.00 0.00 N ATOM 290 CA ASP A 20 -1.456 -2.274 9.531 1.00 0.00 C ATOM 291 C ASP A 20 -1.082 -0.810 9.348 1.00 0.00 C ATOM 292 O ASP A 20 -1.930 0.078 9.421 1.00 0.00 O ATOM 293 CB ASP A 20 -1.117 -3.055 8.260 1.00 0.00 C ATOM 294 CG ASP A 20 -1.800 -4.408 8.199 1.00 0.00 C ATOM 295 OD1 ASP A 20 -1.279 -5.363 8.813 1.00 0.00 O ATOM 296 OD2 ASP A 20 -2.853 -4.513 7.538 1.00 0.00 O ATOM 0 H ASP A 20 -3.390 -3.016 9.217 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.879 -2.675 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.408 -2.467 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.038 -3.196 8.203 1.00 0.00 H new ATOM 301 N LEU A 21 0.201 -0.574 9.110 1.00 0.00 N ATOM 302 CA LEU A 21 0.718 0.773 8.914 1.00 0.00 C ATOM 303 C LEU A 21 2.012 0.732 8.112 1.00 0.00 C ATOM 304 O LEU A 21 3.106 0.728 8.672 1.00 0.00 O ATOM 305 CB LEU A 21 0.948 1.452 10.268 1.00 0.00 C ATOM 306 CG LEU A 21 1.899 2.653 10.252 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.651 3.518 9.025 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.739 3.469 11.522 1.00 0.00 C ATOM 0 H LEU A 21 0.909 -1.306 9.048 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.016 1.352 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.016 1.779 10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.339 0.710 10.965 1.00 0.00 H new ATOM 0 HG LEU A 21 2.923 2.282 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.337 4.365 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.815 2.927 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.624 3.882 9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.421 4.319 11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.713 3.829 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.968 2.846 12.386 1.00 0.00 H new ATOM 320 N ILE A 22 1.869 0.695 6.800 1.00 0.00 N ATOM 321 CA ILE A 22 3.004 0.651 5.900 1.00 0.00 C ATOM 322 C ILE A 22 3.613 2.044 5.716 1.00 0.00 C ATOM 323 O ILE A 22 2.989 3.051 6.053 1.00 0.00 O ATOM 324 CB ILE A 22 2.584 0.030 4.539 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.352 0.603 3.369 1.00 0.00 C ATOM 326 CG2 ILE A 22 1.111 0.208 4.261 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.876 1.986 2.955 1.00 0.00 C ATOM 0 H ILE A 22 0.964 0.695 6.330 1.00 0.00 H new ATOM 0 HA ILE A 22 3.774 0.017 6.340 1.00 0.00 H new ATOM 0 HB ILE A 22 2.818 -1.030 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.410 0.653 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.263 -0.074 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.865 -0.242 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.531 -0.276 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.871 1.271 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.469 2.337 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.826 1.938 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.991 2.676 3.791 1.00 0.00 H new ATOM 339 N CYS A 23 4.829 2.094 5.171 1.00 0.00 N ATOM 340 CA CYS A 23 5.515 3.364 4.932 1.00 0.00 C ATOM 341 C CYS A 23 5.786 3.530 3.443 1.00 0.00 C ATOM 342 O CYS A 23 6.802 3.059 2.933 1.00 0.00 O ATOM 343 CB CYS A 23 6.836 3.433 5.713 1.00 0.00 C ATOM 344 SG CYS A 23 6.951 2.282 7.122 1.00 0.00 S ATOM 0 H CYS A 23 5.359 1.270 4.887 1.00 0.00 H new ATOM 0 HA CYS A 23 4.871 4.172 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.658 3.229 5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.972 4.450 6.081 1.00 0.00 H new ATOM 349 N ALA A 24 4.860 4.176 2.743 1.00 0.00 N ATOM 350 CA ALA A 24 4.997 4.367 1.310 1.00 0.00 C ATOM 351 C ALA A 24 5.815 5.604 0.974 1.00 0.00 C ATOM 352 O ALA A 24 5.961 6.516 1.788 1.00 0.00 O ATOM 353 CB ALA A 24 3.629 4.445 0.651 1.00 0.00 C ATOM 0 H ALA A 24 4.011 4.573 3.145 1.00 0.00 H new ATOM 0 HA ALA A 24 5.534 3.503 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.750 4.588 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.083 3.519 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.071 5.283 1.068 1.00 0.00 H new ATOM 359 N VAL A 25 6.345 5.611 -0.240 1.00 0.00 N ATOM 360 CA VAL A 25 7.162 6.708 -0.733 1.00 0.00 C ATOM 361 C VAL A 25 7.070 6.802 -2.250 1.00 0.00 C ATOM 362 O VAL A 25 6.875 5.795 -2.940 1.00 0.00 O ATOM 363 CB VAL A 25 8.641 6.522 -0.349 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.413 7.818 -0.544 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.775 6.025 1.084 1.00 0.00 C ATOM 0 H VAL A 25 6.220 4.854 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 25 6.782 7.621 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 25 9.068 5.766 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.456 7.665 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.356 8.122 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.981 8.597 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.830 5.902 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.326 6.749 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.265 5.067 1.186 1.00 0.00 H new ATOM 375 N ILE A 26 7.222 8.016 -2.763 1.00 0.00 N ATOM 376 CA ILE A 26 7.172 8.245 -4.203 1.00 0.00 C ATOM 377 C ILE A 26 8.231 9.256 -4.629 1.00 0.00 C ATOM 378 O ILE A 26 7.963 10.453 -4.731 1.00 0.00 O ATOM 379 CB ILE A 26 5.791 8.737 -4.689 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.918 9.199 -3.515 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.093 7.647 -5.490 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.392 8.070 -2.651 1.00 0.00 C ATOM 0 H ILE A 26 7.381 8.856 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 26 7.366 7.277 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 26 5.948 9.598 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.498 9.879 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.073 9.766 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.121 8.008 -5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.702 7.385 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.956 6.766 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.785 8.481 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.783 7.400 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.229 7.515 -2.228 1.00 0.00 H new ATOM 394 N GLY A 27 9.437 8.759 -4.861 1.00 0.00 N ATOM 395 CA GLY A 27 10.543 9.607 -5.268 1.00 0.00 C ATOM 396 C GLY A 27 11.031 10.475 -4.132 1.00 0.00 C ATOM 397 O GLY A 27 12.197 10.418 -3.742 1.00 0.00 O ATOM 0 H GLY A 27 9.673 7.771 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.363 8.987 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.230 10.238 -6.100 1.00 0.00 H new ATOM 401 N ASP A 28 10.122 11.273 -3.599 1.00 0.00 N ATOM 402 CA ASP A 28 10.426 12.162 -2.491 1.00 0.00 C ATOM 403 C ASP A 28 9.144 12.540 -1.761 1.00 0.00 C ATOM 404 O ASP A 28 9.059 13.602 -1.146 1.00 0.00 O ATOM 405 CB ASP A 28 11.134 13.421 -2.997 1.00 0.00 C ATOM 406 CG ASP A 28 10.298 14.189 -4.002 1.00 0.00 C ATOM 407 OD1 ASP A 28 10.080 13.668 -5.116 1.00 0.00 O ATOM 408 OD2 ASP A 28 9.863 15.312 -3.676 1.00 0.00 O ATOM 0 H ASP A 28 9.155 11.323 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 28 11.090 11.644 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.367 14.068 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.083 13.142 -3.455 1.00 0.00 H new ATOM 413 N ALA A 29 8.143 11.662 -1.835 1.00 0.00 N ATOM 414 CA ALA A 29 6.866 11.913 -1.181 1.00 0.00 C ATOM 415 C ALA A 29 6.464 10.739 -0.302 1.00 0.00 C ATOM 416 O ALA A 29 5.747 9.838 -0.735 1.00 0.00 O ATOM 417 CB ALA A 29 5.789 12.197 -2.217 1.00 0.00 C ATOM 0 H ALA A 29 8.195 10.777 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 29 6.977 12.789 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.840 12.383 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.068 13.074 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.686 11.338 -2.880 1.00 0.00 H new ATOM 423 N LYS A 30 6.933 10.752 0.939 1.00 0.00 N ATOM 424 CA LYS A 30 6.623 9.687 1.879 1.00 0.00 C ATOM 425 C LYS A 30 5.182 9.806 2.370 1.00 0.00 C ATOM 426 O LYS A 30 4.692 10.907 2.618 1.00 0.00 O ATOM 427 CB LYS A 30 7.587 9.733 3.069 1.00 0.00 C ATOM 428 CG LYS A 30 8.337 8.433 3.301 1.00 0.00 C ATOM 429 CD LYS A 30 9.256 8.530 4.509 1.00 0.00 C ATOM 430 CE LYS A 30 10.589 9.170 4.147 1.00 0.00 C ATOM 431 NZ LYS A 30 10.840 10.409 4.933 1.00 0.00 N ATOM 0 H LYS A 30 7.529 11.489 1.316 1.00 0.00 H new ATOM 0 HA LYS A 30 6.738 8.732 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.308 10.534 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.026 9.984 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.624 7.621 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.923 8.186 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.771 9.115 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.428 7.534 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.394 8.457 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.602 9.406 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.757 10.815 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.085 11.099 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.853 10.180 5.947 1.00 0.00 H new ATOM 445 N GLU A 31 4.509 8.668 2.509 1.00 0.00 N ATOM 446 CA GLU A 31 3.125 8.652 2.972 1.00 0.00 C ATOM 447 C GLU A 31 2.747 7.275 3.508 1.00 0.00 C ATOM 448 O GLU A 31 2.996 6.258 2.861 1.00 0.00 O ATOM 449 CB GLU A 31 2.179 9.046 1.836 1.00 0.00 C ATOM 450 CG GLU A 31 1.890 10.538 1.776 1.00 0.00 C ATOM 451 CD GLU A 31 2.275 11.156 0.446 1.00 0.00 C ATOM 452 OE1 GLU A 31 1.839 10.631 -0.602 1.00 0.00 O ATOM 453 OE2 GLU A 31 3.012 12.164 0.451 1.00 0.00 O ATOM 0 H GLU A 31 4.898 7.747 2.308 1.00 0.00 H new ATOM 0 HA GLU A 31 3.031 9.376 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.612 8.730 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.239 8.506 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.828 10.706 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.432 11.041 2.576 1.00 0.00 H new ATOM 460 N GLU A 32 2.145 7.249 4.693 1.00 0.00 N ATOM 461 CA GLU A 32 1.734 5.993 5.309 1.00 0.00 C ATOM 462 C GLU A 32 0.252 5.736 5.103 1.00 0.00 C ATOM 463 O GLU A 32 -0.546 6.669 5.012 1.00 0.00 O ATOM 464 CB GLU A 32 2.026 5.998 6.805 1.00 0.00 C ATOM 465 CG GLU A 32 3.509 5.969 7.139 1.00 0.00 C ATOM 466 CD GLU A 32 4.256 7.166 6.586 1.00 0.00 C ATOM 467 OE1 GLU A 32 3.692 8.280 6.607 1.00 0.00 O ATOM 468 OE2 GLU A 32 5.406 6.990 6.129 1.00 0.00 O ATOM 0 H GLU A 32 1.932 8.080 5.244 1.00 0.00 H new ATOM 0 HA GLU A 32 2.307 5.201 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.580 6.887 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.543 5.135 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.633 5.937 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.949 5.055 6.740 1.00 0.00 H new ATOM 475 N HIS A 33 -0.109 4.463 5.047 1.00 0.00 N ATOM 476 CA HIS A 33 -1.497 4.076 4.871 1.00 0.00 C ATOM 477 C HIS A 33 -1.715 2.634 5.300 1.00 0.00 C ATOM 478 O HIS A 33 -0.816 1.803 5.202 1.00 0.00 O ATOM 479 CB HIS A 33 -1.925 4.265 3.418 1.00 0.00 C ATOM 480 CG HIS A 33 -1.094 3.497 2.441 1.00 0.00 C ATOM 481 ND1 HIS A 33 0.220 3.804 2.166 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.401 2.434 1.662 1.00 0.00 C ATOM 483 CE1 HIS A 33 0.684 2.965 1.258 1.00 0.00 C ATOM 484 NE2 HIS A 33 -0.278 2.124 0.936 1.00 0.00 N ATOM 0 H HIS A 33 0.542 3.681 5.121 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.110 4.719 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.967 3.961 3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.875 5.325 3.169 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.752 4.561 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.352 1.924 1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.683 2.968 0.848 1.00 0.00 H new ATOM 493 N ARG A 34 -2.909 2.341 5.778 1.00 0.00 N ATOM 494 CA ARG A 34 -3.236 0.989 6.217 1.00 0.00 C ATOM 495 C ARG A 34 -3.616 0.105 5.032 1.00 0.00 C ATOM 496 O ARG A 34 -3.166 -1.036 4.930 1.00 0.00 O ATOM 497 CB ARG A 34 -4.381 0.997 7.229 1.00 0.00 C ATOM 498 CG ARG A 34 -4.512 2.290 8.024 1.00 0.00 C ATOM 499 CD ARG A 34 -3.211 2.660 8.720 1.00 0.00 C ATOM 500 NE ARG A 34 -3.188 2.211 10.111 1.00 0.00 N ATOM 501 CZ ARG A 34 -2.468 2.791 11.069 1.00 0.00 C ATOM 502 NH1 ARG A 34 -1.701 3.840 10.794 1.00 0.00 N ATOM 503 NH2 ARG A 34 -2.513 2.318 12.307 1.00 0.00 N ATOM 0 H ARG A 34 -3.669 3.015 5.874 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.345 0.582 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.317 0.813 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.240 0.170 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.810 3.099 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.303 2.182 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.373 2.217 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.076 3.741 8.686 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.759 1.404 10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.661 4.207 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.152 4.279 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.098 1.511 12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.962 2.761 13.042 1.00 0.00 H new ATOM 517 N ASN A 35 -4.451 0.635 4.142 1.00 0.00 N ATOM 518 CA ASN A 35 -4.892 -0.116 2.971 1.00 0.00 C ATOM 519 C ASN A 35 -3.832 -0.106 1.877 1.00 0.00 C ATOM 520 O ASN A 35 -3.995 0.524 0.831 1.00 0.00 O ATOM 521 CB ASN A 35 -6.214 0.441 2.435 1.00 0.00 C ATOM 522 CG ASN A 35 -7.314 -0.602 2.436 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.010 -0.786 1.437 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.471 -1.295 3.557 1.00 0.00 N ATOM 0 H ASN A 35 -4.834 1.578 4.209 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.049 -1.149 3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.521 1.292 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.066 0.811 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.192 -2.014 3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.871 -1.108 4.360 1.00 0.00 H new ATOM 531 N MET A 36 -2.748 -0.821 2.132 1.00 0.00 N ATOM 532 CA MET A 36 -1.652 -0.919 1.184 1.00 0.00 C ATOM 533 C MET A 36 -2.119 -1.528 -0.139 1.00 0.00 C ATOM 534 O MET A 36 -1.434 -1.415 -1.156 1.00 0.00 O ATOM 535 CB MET A 36 -0.517 -1.742 1.807 1.00 0.00 C ATOM 536 CG MET A 36 -0.249 -3.078 1.124 1.00 0.00 C ATOM 537 SD MET A 36 0.806 -4.162 2.104 1.00 0.00 S ATOM 538 CE MET A 36 -0.367 -4.782 3.307 1.00 0.00 C ATOM 0 H MET A 36 -2.604 -1.346 2.995 1.00 0.00 H new ATOM 0 HA MET A 36 -1.283 0.082 0.960 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.397 -1.149 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.753 -1.926 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.197 -3.579 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.220 -2.899 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.073 -4.733 4.303 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.272 -4.174 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.617 -5.816 3.071 1.00 0.00 H new ATOM 548 N CYS A 37 -3.287 -2.171 -0.127 1.00 0.00 N ATOM 549 CA CYS A 37 -3.818 -2.781 -1.337 1.00 0.00 C ATOM 550 C CYS A 37 -4.434 -1.723 -2.251 1.00 0.00 C ATOM 551 O CYS A 37 -4.139 -1.680 -3.446 1.00 0.00 O ATOM 552 CB CYS A 37 -4.842 -3.876 -1.001 1.00 0.00 C ATOM 553 SG CYS A 37 -6.257 -3.336 0.019 1.00 0.00 S ATOM 0 H CYS A 37 -3.875 -2.280 0.699 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.990 -3.250 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.225 -4.291 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.328 -4.684 -0.481 1.00 0.00 H new ATOM 558 N ALA A 38 -5.269 -0.863 -1.680 1.00 0.00 N ATOM 559 CA ALA A 38 -5.912 0.208 -2.440 1.00 0.00 C ATOM 560 C ALA A 38 -4.883 1.142 -3.045 1.00 0.00 C ATOM 561 O ALA A 38 -5.115 1.750 -4.090 1.00 0.00 O ATOM 562 CB ALA A 38 -6.874 0.982 -1.551 1.00 0.00 C ATOM 0 H ALA A 38 -5.519 -0.885 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.475 -0.246 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.345 1.776 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.640 0.307 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.326 1.418 -0.716 1.00 0.00 H new ATOM 568 N LEU A 39 -3.745 1.249 -2.383 1.00 0.00 N ATOM 569 CA LEU A 39 -2.677 2.107 -2.855 1.00 0.00 C ATOM 570 C LEU A 39 -1.875 1.424 -3.947 1.00 0.00 C ATOM 571 O LEU A 39 -1.473 2.056 -4.919 1.00 0.00 O ATOM 572 CB LEU A 39 -1.774 2.473 -1.689 1.00 0.00 C ATOM 573 CG LEU A 39 -1.681 3.974 -1.399 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.604 4.355 -0.248 1.00 0.00 C ATOM 575 CD2 LEU A 39 -0.243 4.379 -1.097 1.00 0.00 C ATOM 0 H LEU A 39 -3.538 0.752 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.113 3.013 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.135 1.965 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.772 2.093 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.004 4.515 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.524 5.425 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.633 4.109 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.316 3.804 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.201 5.449 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.114 3.830 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.388 4.148 -1.955 1.00 0.00 H new ATOM 587 N CYS A 40 -1.651 0.128 -3.783 1.00 0.00 N ATOM 588 CA CYS A 40 -0.897 -0.634 -4.763 1.00 0.00 C ATOM 589 C CYS A 40 -1.724 -0.860 -6.017 1.00 0.00 C ATOM 590 O CYS A 40 -1.184 -0.959 -7.118 1.00 0.00 O ATOM 591 CB CYS A 40 -0.454 -1.981 -4.191 1.00 0.00 C ATOM 592 SG CYS A 40 0.748 -2.861 -5.242 1.00 0.00 S ATOM 0 H CYS A 40 -1.980 -0.414 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.010 -0.055 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.014 -1.821 -3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.331 -2.612 -4.050 1.00 0.00 H new ATOM 597 N CYS A 41 -3.039 -0.943 -5.848 1.00 0.00 N ATOM 598 CA CYS A 41 -3.923 -1.160 -6.982 1.00 0.00 C ATOM 599 C CYS A 41 -4.061 0.108 -7.816 1.00 0.00 C ATOM 600 O CYS A 41 -4.167 0.057 -9.041 1.00 0.00 O ATOM 601 CB CYS A 41 -5.286 -1.646 -6.492 1.00 0.00 C ATOM 602 SG CYS A 41 -6.563 -0.359 -6.285 1.00 0.00 S ATOM 0 H CYS A 41 -3.510 -0.864 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.489 -1.928 -7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.659 -2.391 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.148 -2.151 -5.536 1.00 0.00 H new ATOM 607 N GLU A 42 -4.074 1.242 -7.131 1.00 0.00 N ATOM 608 CA GLU A 42 -4.219 2.540 -7.792 1.00 0.00 C ATOM 609 C GLU A 42 -2.871 3.143 -8.205 1.00 0.00 C ATOM 610 O GLU A 42 -2.797 3.897 -9.176 1.00 0.00 O ATOM 611 CB GLU A 42 -4.953 3.516 -6.870 1.00 0.00 C ATOM 612 CG GLU A 42 -5.900 4.453 -7.603 1.00 0.00 C ATOM 613 CD GLU A 42 -6.024 5.804 -6.925 1.00 0.00 C ATOM 614 OE1 GLU A 42 -5.705 5.895 -5.721 1.00 0.00 O ATOM 615 OE2 GLU A 42 -6.440 6.770 -7.598 1.00 0.00 O ATOM 0 H GLU A 42 -3.986 1.294 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.796 2.373 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.518 2.949 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.219 4.109 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.547 4.594 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.885 3.991 -7.667 1.00 0.00 H new ATOM 622 N HIS A 43 -1.817 2.831 -7.459 1.00 0.00 N ATOM 623 CA HIS A 43 -0.485 3.372 -7.746 1.00 0.00 C ATOM 624 C HIS A 43 0.231 2.587 -8.844 1.00 0.00 C ATOM 625 O HIS A 43 -0.235 1.534 -9.279 1.00 0.00 O ATOM 626 CB HIS A 43 0.346 3.418 -6.465 1.00 0.00 C ATOM 627 CG HIS A 43 -0.101 4.507 -5.541 1.00 0.00 C ATOM 628 ND1 HIS A 43 -0.417 5.774 -5.983 1.00 0.00 N ATOM 629 CD2 HIS A 43 -0.310 4.514 -4.204 1.00 0.00 C ATOM 630 CE1 HIS A 43 -0.802 6.514 -4.960 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.747 5.775 -3.869 1.00 0.00 N ATOM 0 H HIS A 43 -1.854 2.208 -6.652 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.609 4.388 -8.122 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.276 2.458 -5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.395 3.568 -6.720 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.362 6.091 -6.951 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.162 3.686 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.110 7.548 -5.008 1.00 0.00 H new ATOM 640 N PRO A 44 1.377 3.115 -9.320 1.00 0.00 N ATOM 641 CA PRO A 44 2.168 2.493 -10.389 1.00 0.00 C ATOM 642 C PRO A 44 2.891 1.237 -9.925 1.00 0.00 C ATOM 643 O PRO A 44 3.848 1.308 -9.154 1.00 0.00 O ATOM 644 CB PRO A 44 3.186 3.581 -10.775 1.00 0.00 C ATOM 645 CG PRO A 44 2.730 4.825 -10.083 1.00 0.00 C ATOM 646 CD PRO A 44 1.987 4.368 -8.864 1.00 0.00 C ATOM 0 HA PRO A 44 1.536 2.170 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.192 3.305 -10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.217 3.723 -11.855 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.578 5.454 -9.811 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.087 5.420 -10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.654 4.210 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.237 5.094 -8.549 1.00 0.00 H new ATOM 654 N GLY A 45 2.424 0.084 -10.398 1.00 0.00 N ATOM 655 CA GLY A 45 3.037 -1.177 -10.017 1.00 0.00 C ATOM 656 C GLY A 45 3.256 -1.282 -8.521 1.00 0.00 C ATOM 657 O GLY A 45 4.138 -2.008 -8.064 1.00 0.00 O ATOM 0 H GLY A 45 1.633 0.001 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.404 -2.001 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.993 -1.283 -10.530 1.00 0.00 H new ATOM 661 N GLY A 46 2.450 -0.551 -7.757 1.00 0.00 N ATOM 662 CA GLY A 46 2.575 -0.574 -6.314 1.00 0.00 C ATOM 663 C GLY A 46 3.548 0.462 -5.796 1.00 0.00 C ATOM 664 O GLY A 46 4.754 0.338 -5.994 1.00 0.00 O ATOM 0 H GLY A 46 1.713 0.057 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.596 -0.403 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.902 -1.564 -5.997 1.00 0.00 H new ATOM 668 N PHE A 47 3.028 1.484 -5.120 1.00 0.00 N ATOM 669 CA PHE A 47 3.875 2.536 -4.563 1.00 0.00 C ATOM 670 C PHE A 47 5.035 1.923 -3.790 1.00 0.00 C ATOM 671 O PHE A 47 4.989 0.752 -3.413 1.00 0.00 O ATOM 672 CB PHE A 47 3.057 3.455 -3.641 1.00 0.00 C ATOM 673 CG PHE A 47 2.716 4.803 -4.229 1.00 0.00 C ATOM 674 CD1 PHE A 47 2.856 5.054 -5.587 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.249 5.821 -3.413 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.536 6.290 -6.115 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.927 7.058 -3.937 1.00 0.00 C ATOM 678 CZ PHE A 47 2.070 7.293 -5.290 1.00 0.00 C ATOM 0 H PHE A 47 2.030 1.606 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 47 4.272 3.131 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.131 2.946 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.615 3.608 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.220 4.273 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.135 5.645 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.651 6.471 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.563 7.841 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.818 8.259 -5.701 1.00 0.00 H new ATOM 688 N GLU A 48 6.075 2.711 -3.559 1.00 0.00 N ATOM 689 CA GLU A 48 7.242 2.218 -2.831 1.00 0.00 C ATOM 690 C GLU A 48 6.986 2.218 -1.339 1.00 0.00 C ATOM 691 O GLU A 48 7.306 3.183 -0.649 1.00 0.00 O ATOM 692 CB GLU A 48 8.456 3.096 -3.106 1.00 0.00 C ATOM 693 CG GLU A 48 9.701 2.683 -2.337 1.00 0.00 C ATOM 694 CD GLU A 48 10.902 2.470 -3.238 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.990 3.152 -4.280 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.755 1.621 -2.900 1.00 0.00 O ATOM 0 H GLU A 48 6.138 3.684 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 48 7.432 1.201 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.675 3.072 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.211 4.128 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.937 3.449 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.496 1.764 -1.788 1.00 0.00 H new ATOM 703 N TYR A 49 6.420 1.141 -0.836 1.00 0.00 N ATOM 704 CA TYR A 49 6.144 1.057 0.579 1.00 0.00 C ATOM 705 C TYR A 49 6.865 -0.097 1.242 1.00 0.00 C ATOM 706 O TYR A 49 7.292 -1.051 0.593 1.00 0.00 O ATOM 707 CB TYR A 49 4.668 0.924 0.837 1.00 0.00 C ATOM 708 CG TYR A 49 3.977 -0.139 0.036 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.223 -1.481 0.280 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.061 0.198 -0.945 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.571 -2.461 -0.432 1.00 0.00 C ATOM 712 CE2 TYR A 49 2.407 -0.773 -1.668 1.00 0.00 C ATOM 713 CZ TYR A 49 2.663 -2.102 -1.408 1.00 0.00 C ATOM 714 OH TYR A 49 2.000 -3.072 -2.117 1.00 0.00 O ATOM 0 H TYR A 49 6.146 0.322 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 49 6.512 1.987 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.517 0.715 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.191 1.882 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.937 -1.761 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.856 1.239 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.768 -3.503 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.698 -0.496 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 49 2.477 -3.249 -2.955 1.00 0.00 H new ATOM 724 N SER A 50 6.966 0.006 2.554 1.00 0.00 N ATOM 725 CA SER A 50 7.601 -1.015 3.367 1.00 0.00 C ATOM 726 C SER A 50 6.827 -1.181 4.663 1.00 0.00 C ATOM 727 O SER A 50 6.932 -0.358 5.572 1.00 0.00 O ATOM 728 CB SER A 50 9.055 -0.650 3.658 1.00 0.00 C ATOM 729 OG SER A 50 9.155 0.647 4.220 1.00 0.00 O ATOM 0 H SER A 50 6.610 0.800 3.086 1.00 0.00 H new ATOM 0 HA SER A 50 7.595 -1.958 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.486 -1.380 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.636 -0.696 2.737 1.00 0.00 H new ATOM 0 HG SER A 50 8.430 0.781 4.866 1.00 0.00 H new ATOM 735 N ASN A 51 6.028 -2.238 4.729 1.00 0.00 N ATOM 736 CA ASN A 51 5.206 -2.504 5.903 1.00 0.00 C ATOM 737 C ASN A 51 5.990 -2.312 7.194 1.00 0.00 C ATOM 738 O ASN A 51 7.126 -2.767 7.327 1.00 0.00 O ATOM 739 CB ASN A 51 4.632 -3.915 5.851 1.00 0.00 C ATOM 740 CG ASN A 51 3.843 -4.173 4.583 1.00 0.00 C ATOM 741 OD1 ASN A 51 2.628 -3.977 4.544 1.00 0.00 O ATOM 742 ND2 ASN A 51 4.530 -4.615 3.537 1.00 0.00 N ATOM 0 H ASN A 51 5.931 -2.926 3.982 1.00 0.00 H new ATOM 0 HA ASN A 51 4.387 -1.784 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.445 -4.638 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.987 -4.074 6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.052 -4.806 2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.536 -4.764 3.614 1.00 0.00 H new ATOM 749 N GLY A 52 5.362 -1.631 8.140 1.00 0.00 N ATOM 750 CA GLY A 52 5.991 -1.373 9.425 1.00 0.00 C ATOM 751 C GLY A 52 5.655 0.005 9.968 1.00 0.00 C ATOM 752 O GLY A 52 5.462 0.945 9.200 1.00 0.00 O ATOM 0 H GLY A 52 4.421 -1.249 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.672 -2.130 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.072 -1.466 9.323 1.00 0.00 H new ATOM 756 N PRO A 53 5.580 0.159 11.302 1.00 0.00 N ATOM 757 CA PRO A 53 5.263 1.447 11.932 1.00 0.00 C ATOM 758 C PRO A 53 6.289 2.523 11.592 1.00 0.00 C ATOM 759 O PRO A 53 7.466 2.403 11.933 1.00 0.00 O ATOM 760 CB PRO A 53 5.291 1.139 13.433 1.00 0.00 C ATOM 761 CG PRO A 53 6.068 -0.127 13.557 1.00 0.00 C ATOM 762 CD PRO A 53 5.799 -0.900 12.298 1.00 0.00 C ATOM 0 HA PRO A 53 4.307 1.840 11.587 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.763 1.947 13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.283 1.023 13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.133 0.078 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.757 -0.692 14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.640 -1.540 12.029 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.927 -1.546 12.399 1.00 0.00 H new ATOM 770 N CYS A 54 5.835 3.575 10.918 1.00 0.00 N ATOM 771 CA CYS A 54 6.713 4.673 10.531 1.00 0.00 C ATOM 772 C CYS A 54 6.111 6.018 10.930 1.00 0.00 C ATOM 773 O CYS A 54 6.760 6.827 11.593 1.00 0.00 O ATOM 774 CB CYS A 54 6.970 4.644 9.023 1.00 0.00 C ATOM 775 SG CYS A 54 8.067 3.294 8.483 1.00 0.00 S ATOM 0 H CYS A 54 4.864 3.690 10.629 1.00 0.00 H new ATOM 0 HA CYS A 54 7.660 4.548 11.056 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.016 4.552 8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.407 5.596 8.721 1.00 0.00 H new ATOM 780 N GLU A 55 4.868 6.250 10.520 1.00 0.00 N ATOM 781 CA GLU A 55 4.179 7.497 10.835 1.00 0.00 C ATOM 782 C GLU A 55 3.632 7.470 12.258 1.00 0.00 C ATOM 783 O GLU A 55 3.442 6.360 12.798 1.00 0.00 O ATOM 784 CB GLU A 55 3.041 7.745 9.840 1.00 0.00 C ATOM 785 CG GLU A 55 2.251 9.014 10.118 1.00 0.00 C ATOM 786 CD GLU A 55 1.565 9.558 8.880 1.00 0.00 C ATOM 787 OE1 GLU A 55 2.187 10.372 8.166 1.00 0.00 O ATOM 788 OE2 GLU A 55 0.405 9.170 8.625 1.00 0.00 O ATOM 789 OXT GLU A 55 3.398 8.559 12.823 1.00 0.00 O ATOM 0 H GLU A 55 4.317 5.591 9.969 1.00 0.00 H new ATOM 0 HA GLU A 55 4.900 8.311 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.456 7.799 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.361 6.893 9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.502 8.811 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.921 9.774 10.521 1.00 0.00 H new TER 796 GLU A 55