USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -46:sc= 0.733 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 160:sc= -3.54! USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.619 USER MOD Single : A 48 ASN : amide:sc= -3.24! C(o=-3.2!,f=-5.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.64) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -7.64! C(o=-7.6!,f=-16!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -82:sc= -3.51! USER MOD Single : A 75 SER OG : rot 180:sc= -0.428 USER MOD Single : A 92 SER OG : rot 92:sc= -2.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.672 -17.835 -18.296 1.00 0.00 N ATOM 2 CA ALA A 1 -3.239 -18.010 -18.648 1.00 0.00 C ATOM 3 C ALA A 1 -2.349 -17.855 -17.419 1.00 0.00 C ATOM 4 O ALA A 1 -1.958 -16.745 -17.061 1.00 0.00 O ATOM 5 CB ALA A 1 -2.833 -17.014 -19.723 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.255 -17.945 -19.150 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.947 -18.551 -17.594 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.818 -16.886 -17.897 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.107 -19.020 -19.036 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.781 -17.154 -19.970 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.440 -17.173 -20.614 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.987 -15.999 -19.356 1.00 0.00 H new ATOM 13 N VAL A 2 -2.032 -18.975 -16.782 1.00 0.00 N ATOM 14 CA VAL A 2 -1.186 -18.970 -15.595 1.00 0.00 C ATOM 15 C VAL A 2 0.214 -18.456 -15.920 1.00 0.00 C ATOM 16 O VAL A 2 0.450 -17.919 -17.004 1.00 0.00 O ATOM 17 CB VAL A 2 -1.079 -20.380 -14.982 1.00 0.00 C ATOM 18 CG1 VAL A 2 -2.409 -20.805 -14.381 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.612 -21.383 -16.026 1.00 0.00 C ATOM 0 H VAL A 2 -2.349 -19.901 -17.068 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.653 -18.302 -14.872 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.339 -20.352 -14.182 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.313 -21.803 -13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.696 -20.102 -13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.173 -20.816 -15.159 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.543 -22.373 -15.574 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.325 -21.409 -16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.367 -21.087 -16.403 1.00 0.00 H new ATOM 29 N LEU A 3 1.131 -18.606 -14.971 1.00 0.00 N ATOM 30 CA LEU A 3 2.477 -18.149 -15.130 1.00 0.00 C ATOM 31 C LEU A 3 3.249 -18.946 -16.146 1.00 0.00 C ATOM 32 O LEU A 3 2.928 -20.095 -16.448 1.00 0.00 O ATOM 33 CB LEU A 3 3.229 -18.251 -13.803 1.00 0.00 C ATOM 34 CG LEU A 3 3.406 -16.939 -13.039 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.273 -15.784 -13.999 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.386 -16.829 -11.916 1.00 0.00 C ATOM 0 H LEU A 3 0.946 -19.051 -14.072 1.00 0.00 H new ATOM 0 HA LEU A 3 2.405 -17.117 -15.473 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.701 -18.956 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.215 -18.673 -13.997 1.00 0.00 H new ATOM 0 HG LEU A 3 4.398 -16.916 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.398 -14.846 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.038 -15.863 -14.772 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.286 -15.807 -14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.530 -15.888 -11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.380 -16.860 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.517 -17.660 -11.223 1.00 0.00 H new ATOM 48 N ASP A 4 4.297 -18.318 -16.644 1.00 0.00 N ATOM 49 CA ASP A 4 5.147 -18.947 -17.590 1.00 0.00 C ATOM 50 C ASP A 4 5.992 -19.983 -16.847 1.00 0.00 C ATOM 51 O ASP A 4 5.454 -20.779 -16.074 1.00 0.00 O ATOM 52 CB ASP A 4 6.013 -17.901 -18.310 1.00 0.00 C ATOM 53 CG ASP A 4 6.808 -18.499 -19.455 1.00 0.00 C ATOM 54 OD1 ASP A 4 6.204 -19.194 -20.299 1.00 0.00 O ATOM 55 OD2 ASP A 4 8.036 -18.273 -19.507 1.00 0.00 O ATOM 0 H ASP A 4 4.567 -17.366 -16.396 1.00 0.00 H new ATOM 0 HA ASP A 4 4.564 -19.450 -18.361 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.374 -17.105 -18.692 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.698 -17.445 -17.595 1.00 0.00 H new ATOM 60 N LEU A 5 7.302 -19.955 -17.035 1.00 0.00 N ATOM 61 CA LEU A 5 8.176 -20.848 -16.354 1.00 0.00 C ATOM 62 C LEU A 5 8.637 -20.220 -15.032 1.00 0.00 C ATOM 63 O LEU A 5 7.840 -19.618 -14.320 1.00 0.00 O ATOM 64 CB LEU A 5 9.377 -21.199 -17.235 1.00 0.00 C ATOM 65 CG LEU A 5 9.068 -21.938 -18.539 1.00 0.00 C ATOM 66 CD1 LEU A 5 10.329 -22.108 -19.372 1.00 0.00 C ATOM 67 CD2 LEU A 5 8.435 -23.291 -18.253 1.00 0.00 C ATOM 0 H LEU A 5 7.772 -19.307 -17.667 1.00 0.00 H new ATOM 0 HA LEU A 5 7.638 -21.770 -16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.902 -20.276 -17.481 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.064 -21.810 -16.650 1.00 0.00 H new ATOM 0 HG LEU A 5 8.357 -21.339 -19.108 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.087 -22.636 -20.295 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.741 -21.128 -19.612 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.063 -22.682 -18.807 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.223 -23.800 -19.193 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.121 -23.896 -17.660 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.506 -23.149 -17.700 1.00 0.00 H new ATOM 79 N ASP A 6 9.916 -20.353 -14.714 1.00 0.00 N ATOM 80 CA ASP A 6 10.474 -19.800 -13.508 1.00 0.00 C ATOM 81 C ASP A 6 10.807 -18.315 -13.678 1.00 0.00 C ATOM 82 O ASP A 6 11.155 -17.620 -12.721 1.00 0.00 O ATOM 83 CB ASP A 6 11.741 -20.560 -13.185 1.00 0.00 C ATOM 84 CG ASP A 6 11.495 -21.764 -12.298 1.00 0.00 C ATOM 85 OD1 ASP A 6 10.788 -21.620 -11.278 1.00 0.00 O ATOM 86 OD2 ASP A 6 12.008 -22.857 -12.623 1.00 0.00 O ATOM 0 H ASP A 6 10.592 -20.851 -15.293 1.00 0.00 H new ATOM 0 HA ASP A 6 9.744 -19.891 -12.704 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.209 -20.888 -14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.446 -19.890 -12.693 1.00 0.00 H new ATOM 91 N VAL A 7 10.699 -17.854 -14.913 1.00 0.00 N ATOM 92 CA VAL A 7 10.969 -16.513 -15.313 1.00 0.00 C ATOM 93 C VAL A 7 9.681 -15.686 -15.323 1.00 0.00 C ATOM 94 O VAL A 7 9.522 -14.741 -16.100 1.00 0.00 O ATOM 95 CB VAL A 7 11.641 -16.462 -16.698 1.00 0.00 C ATOM 96 CG1 VAL A 7 12.977 -17.189 -16.668 1.00 0.00 C ATOM 97 CG2 VAL A 7 10.728 -17.060 -17.756 1.00 0.00 C ATOM 0 H VAL A 7 10.405 -18.446 -15.690 1.00 0.00 H new ATOM 0 HA VAL A 7 11.660 -16.086 -14.586 1.00 0.00 H new ATOM 0 HB VAL A 7 11.824 -15.419 -16.955 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.438 -17.143 -17.655 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.633 -16.714 -15.938 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.818 -18.231 -16.390 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.219 -17.015 -18.728 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.513 -18.099 -17.506 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.796 -16.495 -17.794 1.00 0.00 H new ATOM 107 N ARG A 8 8.731 -16.066 -14.488 1.00 0.00 N ATOM 108 CA ARG A 8 7.474 -15.411 -14.486 1.00 0.00 C ATOM 109 C ARG A 8 7.598 -13.896 -14.297 1.00 0.00 C ATOM 110 O ARG A 8 8.704 -13.368 -14.195 1.00 0.00 O ATOM 111 CB ARG A 8 6.615 -16.022 -13.395 1.00 0.00 C ATOM 112 CG ARG A 8 6.308 -17.490 -13.606 1.00 0.00 C ATOM 113 CD ARG A 8 6.028 -18.176 -12.280 1.00 0.00 C ATOM 114 NE ARG A 8 5.723 -19.596 -12.444 1.00 0.00 N ATOM 115 CZ ARG A 8 5.501 -20.430 -11.429 1.00 0.00 C ATOM 116 NH1 ARG A 8 5.541 -19.991 -10.176 1.00 0.00 N ATOM 117 NH2 ARG A 8 5.237 -21.708 -11.667 1.00 0.00 N ATOM 0 H ARG A 8 8.823 -16.824 -13.812 1.00 0.00 H new ATOM 0 HA ARG A 8 7.009 -15.555 -15.461 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.121 -15.901 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.677 -15.470 -13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.446 -17.595 -14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.149 -17.975 -14.102 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.893 -18.066 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.191 -17.681 -11.787 1.00 0.00 H new ATOM 0 HE ARG A 8 5.677 -19.971 -13.392 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.743 -19.009 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.370 -20.635 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.204 -22.052 -12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.067 -22.347 -10.890 1.00 0.00 H new ATOM 131 N THR A 9 6.456 -13.206 -14.255 1.00 0.00 N ATOM 132 CA THR A 9 6.408 -11.773 -14.098 1.00 0.00 C ATOM 133 C THR A 9 7.313 -11.055 -15.107 1.00 0.00 C ATOM 134 O THR A 9 8.536 -11.042 -14.965 1.00 0.00 O ATOM 135 CB THR A 9 6.703 -11.373 -12.658 1.00 0.00 C ATOM 136 OG1 THR A 9 7.896 -10.619 -12.528 1.00 0.00 O ATOM 137 CG2 THR A 9 6.771 -12.538 -11.711 1.00 0.00 C ATOM 0 H THR A 9 5.537 -13.642 -14.331 1.00 0.00 H new ATOM 0 HA THR A 9 5.392 -11.446 -14.320 1.00 0.00 H new ATOM 0 HB THR A 9 5.851 -10.751 -12.383 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.609 -11.042 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.984 -12.177 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.817 -13.065 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.561 -13.219 -12.028 1.00 0.00 H new ATOM 145 N CYS A 10 6.693 -10.482 -16.142 1.00 0.00 N ATOM 146 CA CYS A 10 7.430 -9.785 -17.200 1.00 0.00 C ATOM 147 C CYS A 10 8.371 -8.712 -16.643 1.00 0.00 C ATOM 148 O CYS A 10 8.601 -8.631 -15.438 1.00 0.00 O ATOM 149 CB CYS A 10 6.461 -9.172 -18.213 1.00 0.00 C ATOM 150 SG CYS A 10 6.944 -9.444 -19.951 1.00 0.00 S ATOM 0 H CYS A 10 5.681 -10.487 -16.270 1.00 0.00 H new ATOM 0 HA CYS A 10 8.050 -10.528 -17.703 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.468 -9.591 -18.052 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.388 -8.100 -18.029 1.00 0.00 H new ATOM 155 N LEU A 11 8.938 -7.908 -17.543 1.00 0.00 N ATOM 156 CA LEU A 11 9.889 -6.866 -17.155 1.00 0.00 C ATOM 157 C LEU A 11 9.226 -5.659 -16.481 1.00 0.00 C ATOM 158 O LEU A 11 8.211 -5.120 -16.966 1.00 0.00 O ATOM 159 CB LEU A 11 10.692 -6.397 -18.369 1.00 0.00 C ATOM 160 CG LEU A 11 12.075 -5.830 -18.038 1.00 0.00 C ATOM 161 CD1 LEU A 11 13.137 -6.911 -18.159 1.00 0.00 C ATOM 162 CD2 LEU A 11 12.402 -4.652 -18.942 1.00 0.00 C ATOM 0 H LEU A 11 8.755 -7.958 -18.545 1.00 0.00 H new ATOM 0 HA LEU A 11 10.552 -7.320 -16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.812 -7.236 -19.055 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.118 -5.635 -18.896 1.00 0.00 H new ATOM 0 HG LEU A 11 12.063 -5.475 -17.007 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.114 -6.490 -17.920 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.912 -7.721 -17.466 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.148 -7.298 -19.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.389 -4.263 -18.691 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.395 -4.978 -19.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.657 -3.868 -18.802 1.00 0.00 H new ATOM 174 N PRO A 12 9.825 -5.195 -15.349 1.00 0.00 N ATOM 175 CA PRO A 12 9.331 -4.043 -14.611 1.00 0.00 C ATOM 176 C PRO A 12 9.658 -2.736 -15.304 1.00 0.00 C ATOM 177 O PRO A 12 10.104 -2.718 -16.450 1.00 0.00 O ATOM 178 CB PRO A 12 10.069 -4.073 -13.276 1.00 0.00 C ATOM 179 CG PRO A 12 10.929 -5.280 -13.292 1.00 0.00 C ATOM 180 CD PRO A 12 11.035 -5.747 -14.721 1.00 0.00 C ATOM 0 HA PRO A 12 8.246 -4.096 -14.517 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.669 -3.172 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.365 -4.111 -12.445 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.916 -5.052 -12.890 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.502 -6.062 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.941 -5.376 -15.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.062 -6.835 -14.788 1.00 0.00 H new ATOM 188 N CYS A 13 9.418 -1.644 -14.598 1.00 0.00 N ATOM 189 CA CYS A 13 9.666 -0.340 -15.129 1.00 0.00 C ATOM 190 C CYS A 13 10.156 0.642 -14.065 1.00 0.00 C ATOM 191 O CYS A 13 10.585 0.253 -12.982 1.00 0.00 O ATOM 192 CB CYS A 13 8.409 0.192 -15.815 1.00 0.00 C ATOM 193 SG CYS A 13 8.745 1.480 -17.053 1.00 0.00 S ATOM 0 H CYS A 13 9.048 -1.649 -13.647 1.00 0.00 H new ATOM 0 HA CYS A 13 10.467 -0.433 -15.862 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.890 -0.637 -16.297 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.735 0.594 -15.059 1.00 0.00 H new ATOM 198 N GLY A 14 10.053 1.919 -14.400 1.00 0.00 N ATOM 199 CA GLY A 14 10.462 2.963 -13.499 1.00 0.00 C ATOM 200 C GLY A 14 11.907 2.830 -13.064 1.00 0.00 C ATOM 201 O GLY A 14 12.751 2.349 -13.823 1.00 0.00 O ATOM 0 H GLY A 14 9.688 2.249 -15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.320 3.930 -13.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.820 2.949 -12.619 1.00 0.00 H new ATOM 205 N PRO A 15 12.217 3.279 -11.847 1.00 0.00 N ATOM 206 CA PRO A 15 13.567 3.249 -11.296 1.00 0.00 C ATOM 207 C PRO A 15 13.916 1.903 -10.656 1.00 0.00 C ATOM 208 O PRO A 15 13.749 1.712 -9.452 1.00 0.00 O ATOM 209 CB PRO A 15 13.472 4.359 -10.255 1.00 0.00 C ATOM 210 CG PRO A 15 12.110 4.189 -9.705 1.00 0.00 C ATOM 211 CD PRO A 15 11.264 3.899 -10.910 1.00 0.00 C ATOM 0 HA PRO A 15 14.351 3.384 -12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.234 4.254 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.606 5.344 -10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.070 3.373 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.773 5.088 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.439 3.228 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.826 4.808 -11.323 1.00 0.00 H new ATOM 219 N GLY A 16 14.408 0.971 -11.478 1.00 0.00 N ATOM 220 CA GLY A 16 14.779 -0.349 -10.984 1.00 0.00 C ATOM 221 C GLY A 16 13.854 -1.441 -11.496 1.00 0.00 C ATOM 222 O GLY A 16 14.242 -2.253 -12.334 1.00 0.00 O ATOM 0 H GLY A 16 14.556 1.108 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.802 -0.572 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.762 -0.344 -9.894 1.00 0.00 H new ATOM 226 N GLY A 17 12.624 -1.441 -10.991 1.00 0.00 N ATOM 227 CA GLY A 17 11.634 -2.406 -11.392 1.00 0.00 C ATOM 228 C GLY A 17 10.330 -2.204 -10.678 1.00 0.00 C ATOM 229 O GLY A 17 9.617 -3.149 -10.342 1.00 0.00 O ATOM 0 H GLY A 17 12.297 -0.770 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.473 -2.335 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.005 -3.411 -11.191 1.00 0.00 H new ATOM 233 N LYS A 18 10.061 -0.944 -10.421 1.00 0.00 N ATOM 234 CA LYS A 18 8.896 -0.519 -9.710 1.00 0.00 C ATOM 235 C LYS A 18 7.682 -0.880 -10.510 1.00 0.00 C ATOM 236 O LYS A 18 6.848 -1.684 -10.091 1.00 0.00 O ATOM 237 CB LYS A 18 8.985 0.994 -9.523 1.00 0.00 C ATOM 238 CG LYS A 18 9.361 1.469 -8.132 1.00 0.00 C ATOM 239 CD LYS A 18 10.298 0.498 -7.479 1.00 0.00 C ATOM 240 CE LYS A 18 10.718 0.946 -6.086 1.00 0.00 C ATOM 241 NZ LYS A 18 9.849 0.363 -5.029 1.00 0.00 N ATOM 0 H LYS A 18 10.666 -0.175 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 18 8.829 -1.004 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.717 1.386 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.022 1.431 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.830 2.451 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.463 1.581 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.818 -0.479 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.184 0.377 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.753 0.653 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.680 2.034 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.169 0.693 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.865 0.663 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.905 -0.675 -5.067 1.00 0.00 H new ATOM 255 N GLY A 19 7.612 -0.305 -11.666 1.00 0.00 N ATOM 256 CA GLY A 19 6.535 -0.568 -12.563 1.00 0.00 C ATOM 257 C GLY A 19 6.804 -1.734 -13.481 1.00 0.00 C ATOM 258 O GLY A 19 7.521 -2.670 -13.144 1.00 0.00 O ATOM 0 H GLY A 19 8.301 0.361 -12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.631 -0.767 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.343 0.322 -13.162 1.00 0.00 H new ATOM 262 N ARG A 20 6.232 -1.613 -14.652 1.00 0.00 N ATOM 263 CA ARG A 20 6.368 -2.583 -15.714 1.00 0.00 C ATOM 264 C ARG A 20 5.892 -1.974 -17.032 1.00 0.00 C ATOM 265 O ARG A 20 5.453 -0.826 -17.067 1.00 0.00 O ATOM 266 CB ARG A 20 5.559 -3.823 -15.360 1.00 0.00 C ATOM 267 CG ARG A 20 4.075 -3.563 -15.366 1.00 0.00 C ATOM 268 CD ARG A 20 3.311 -4.641 -16.106 1.00 0.00 C ATOM 269 NE ARG A 20 2.544 -5.492 -15.199 1.00 0.00 N ATOM 270 CZ ARG A 20 3.046 -6.554 -14.568 1.00 0.00 C ATOM 271 NH1 ARG A 20 4.315 -6.900 -14.740 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.274 -7.271 -13.762 1.00 0.00 N ATOM 0 H ARG A 20 5.644 -0.818 -14.902 1.00 0.00 H new ATOM 0 HA ARG A 20 7.414 -2.868 -15.831 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.789 -4.618 -16.070 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.858 -4.179 -14.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.714 -3.503 -14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.879 -2.596 -15.830 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.636 -4.177 -16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.010 -5.255 -16.674 1.00 0.00 H new ATOM 0 HE ARG A 20 1.564 -5.259 -15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.914 -6.352 -15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.692 -7.714 -14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.298 -7.010 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.657 -8.084 -13.279 1.00 0.00 H new ATOM 286 N CYS A 21 5.940 -2.757 -18.099 1.00 0.00 N ATOM 287 CA CYS A 21 5.461 -2.279 -19.403 1.00 0.00 C ATOM 288 C CYS A 21 4.094 -2.884 -19.700 1.00 0.00 C ATOM 289 O CYS A 21 3.867 -4.063 -19.419 1.00 0.00 O ATOM 290 CB CYS A 21 6.483 -2.586 -20.497 1.00 0.00 C ATOM 291 SG CYS A 21 5.837 -2.935 -22.181 1.00 0.00 S ATOM 0 H CYS A 21 6.298 -3.712 -18.098 1.00 0.00 H new ATOM 0 HA CYS A 21 5.346 -1.195 -19.376 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.167 -1.740 -20.567 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.072 -3.446 -20.177 1.00 0.00 H new ATOM 296 N PHE A 22 3.167 -2.093 -20.252 1.00 0.00 N ATOM 297 CA PHE A 22 1.828 -2.612 -20.550 1.00 0.00 C ATOM 298 C PHE A 22 1.581 -2.731 -22.053 1.00 0.00 C ATOM 299 O PHE A 22 0.507 -3.162 -22.476 1.00 0.00 O ATOM 300 CB PHE A 22 0.758 -1.722 -19.921 1.00 0.00 C ATOM 301 CG PHE A 22 0.712 -1.797 -18.423 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.882 -1.787 -17.679 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.502 -1.873 -17.760 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.836 -1.852 -16.301 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.552 -1.939 -16.381 1.00 0.00 C ATOM 306 CZ PHE A 22 0.618 -1.928 -15.651 1.00 0.00 C ATOM 0 H PHE A 22 3.313 -1.114 -20.497 1.00 0.00 H new ATOM 0 HA PHE A 22 1.769 -3.612 -20.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.937 -0.689 -20.218 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.216 -2.004 -20.320 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.836 -1.728 -18.181 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.420 -1.881 -18.328 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.753 -1.843 -15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.505 -1.999 -15.876 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.583 -1.979 -14.573 1.00 0.00 H new ATOM 316 N GLY A 23 2.595 -2.401 -22.855 1.00 0.00 N ATOM 317 CA GLY A 23 2.437 -2.550 -24.293 1.00 0.00 C ATOM 318 C GLY A 23 3.038 -1.473 -25.180 1.00 0.00 C ATOM 319 O GLY A 23 4.096 -1.687 -25.771 1.00 0.00 O ATOM 0 H GLY A 23 3.498 -2.043 -22.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.873 -3.506 -24.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.370 -2.608 -24.510 1.00 0.00 H new ATOM 323 N PRO A 24 2.349 -0.327 -25.381 1.00 0.00 N ATOM 324 CA PRO A 24 2.813 0.708 -26.299 1.00 0.00 C ATOM 325 C PRO A 24 3.461 1.896 -25.621 1.00 0.00 C ATOM 326 O PRO A 24 2.770 2.804 -25.157 1.00 0.00 O ATOM 327 CB PRO A 24 1.494 1.115 -26.940 1.00 0.00 C ATOM 328 CG PRO A 24 0.498 1.038 -25.826 1.00 0.00 C ATOM 329 CD PRO A 24 1.028 0.037 -24.819 1.00 0.00 C ATOM 0 HA PRO A 24 3.592 0.355 -26.974 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.548 2.121 -27.355 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.227 0.446 -27.758 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.363 2.015 -25.362 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.476 0.726 -26.202 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.118 0.473 -23.824 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.374 -0.830 -24.729 1.00 0.00 H new ATOM 337 N SER A 25 4.794 1.900 -25.561 1.00 0.00 N ATOM 338 CA SER A 25 5.517 3.005 -24.930 1.00 0.00 C ATOM 339 C SER A 25 5.023 3.236 -23.511 1.00 0.00 C ATOM 340 O SER A 25 5.309 4.265 -22.908 1.00 0.00 O ATOM 341 CB SER A 25 5.287 4.293 -25.722 1.00 0.00 C ATOM 342 OG SER A 25 6.382 5.182 -25.585 1.00 0.00 O ATOM 0 H SER A 25 5.388 1.161 -25.936 1.00 0.00 H new ATOM 0 HA SER A 25 6.575 2.744 -24.913 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.139 4.054 -26.775 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.375 4.779 -25.374 1.00 0.00 H new ATOM 0 HG SER A 25 6.373 5.828 -26.322 1.00 0.00 H new ATOM 348 N ILE A 26 4.227 2.305 -23.011 1.00 0.00 N ATOM 349 CA ILE A 26 3.631 2.462 -21.713 1.00 0.00 C ATOM 350 C ILE A 26 4.347 1.709 -20.609 1.00 0.00 C ATOM 351 O ILE A 26 5.060 0.729 -20.827 1.00 0.00 O ATOM 352 CB ILE A 26 2.144 2.062 -21.758 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.331 2.990 -20.888 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.923 0.636 -21.308 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.144 2.913 -21.241 1.00 0.00 C ATOM 0 H ILE A 26 3.985 1.438 -23.490 1.00 0.00 H new ATOM 0 HA ILE A 26 3.726 3.519 -21.464 1.00 0.00 H new ATOM 0 HB ILE A 26 1.822 2.141 -22.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.472 2.728 -19.839 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.685 4.013 -21.011 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.860 0.400 -21.357 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.475 -0.041 -21.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.274 0.520 -20.283 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.707 3.591 -20.600 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.284 3.199 -22.283 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.501 1.894 -21.093 1.00 0.00 H new ATOM 367 N CYS A 27 4.107 2.209 -19.421 1.00 0.00 N ATOM 368 CA CYS A 27 4.658 1.693 -18.227 1.00 0.00 C ATOM 369 C CYS A 27 3.773 2.095 -17.054 1.00 0.00 C ATOM 370 O CYS A 27 3.116 3.133 -17.092 1.00 0.00 O ATOM 371 CB CYS A 27 6.032 2.276 -18.087 1.00 0.00 C ATOM 372 SG CYS A 27 7.371 1.112 -18.481 1.00 0.00 S ATOM 0 H CYS A 27 3.499 3.014 -19.272 1.00 0.00 H new ATOM 0 HA CYS A 27 4.716 0.605 -18.246 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.115 3.145 -18.740 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.162 2.632 -17.065 1.00 0.00 H new ATOM 377 N CYS A 28 3.750 1.275 -16.027 1.00 0.00 N ATOM 378 CA CYS A 28 2.941 1.538 -14.853 1.00 0.00 C ATOM 379 C CYS A 28 3.647 1.080 -13.590 1.00 0.00 C ATOM 380 O CYS A 28 3.720 -0.122 -13.318 1.00 0.00 O ATOM 381 CB CYS A 28 1.601 0.826 -14.983 1.00 0.00 C ATOM 382 SG CYS A 28 0.231 1.678 -14.154 1.00 0.00 S ATOM 0 H CYS A 28 4.288 0.410 -15.980 1.00 0.00 H new ATOM 0 HA CYS A 28 2.779 2.614 -14.782 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.360 0.716 -16.040 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.693 -0.179 -14.571 1.00 0.00 H new ATOM 387 N GLY A 29 4.160 2.023 -12.805 1.00 0.00 N ATOM 388 CA GLY A 29 4.820 1.677 -11.596 1.00 0.00 C ATOM 389 C GLY A 29 3.876 1.770 -10.401 1.00 0.00 C ATOM 390 O GLY A 29 2.828 2.410 -10.500 1.00 0.00 O ATOM 0 H GLY A 29 4.121 3.023 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.215 0.664 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.671 2.340 -11.442 1.00 0.00 H new ATOM 394 N ASP A 30 4.224 1.153 -9.273 1.00 0.00 N ATOM 395 CA ASP A 30 3.371 1.209 -8.100 1.00 0.00 C ATOM 396 C ASP A 30 3.436 2.616 -7.527 1.00 0.00 C ATOM 397 O ASP A 30 2.594 3.462 -7.829 1.00 0.00 O ATOM 398 CB ASP A 30 3.806 0.171 -7.060 1.00 0.00 C ATOM 399 CG ASP A 30 2.868 0.113 -5.871 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.752 -0.428 -6.020 1.00 0.00 O ATOM 401 OD2 ASP A 30 3.249 0.610 -4.791 1.00 0.00 O ATOM 0 H ASP A 30 5.082 0.615 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 30 2.344 0.974 -8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.853 -0.811 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.812 0.408 -6.714 1.00 0.00 H new ATOM 406 N GLU A 31 4.489 2.888 -6.766 1.00 0.00 N ATOM 407 CA GLU A 31 4.733 4.208 -6.223 1.00 0.00 C ATOM 408 C GLU A 31 5.193 5.133 -7.357 1.00 0.00 C ATOM 409 O GLU A 31 5.700 6.231 -7.139 1.00 0.00 O ATOM 410 CB GLU A 31 5.853 4.116 -5.195 1.00 0.00 C ATOM 411 CG GLU A 31 7.153 3.566 -5.788 1.00 0.00 C ATOM 412 CD GLU A 31 8.360 4.408 -5.426 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.259 5.652 -5.485 1.00 0.00 O ATOM 414 OE2 GLU A 31 9.411 3.826 -5.076 1.00 0.00 O ATOM 0 H GLU A 31 5.194 2.197 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 31 3.824 4.595 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.039 5.105 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.534 3.476 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.307 2.546 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.061 3.517 -6.873 1.00 0.00 H new ATOM 421 N LEU A 32 5.092 4.591 -8.558 1.00 0.00 N ATOM 422 CA LEU A 32 5.557 5.197 -9.771 1.00 0.00 C ATOM 423 C LEU A 32 4.443 5.693 -10.681 1.00 0.00 C ATOM 424 O LEU A 32 4.686 6.445 -11.620 1.00 0.00 O ATOM 425 CB LEU A 32 6.335 4.096 -10.429 1.00 0.00 C ATOM 426 CG LEU A 32 7.677 4.407 -11.020 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.839 3.482 -12.176 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.841 5.864 -11.440 1.00 0.00 C ATOM 0 H LEU A 32 4.664 3.678 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 32 6.139 6.095 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.476 3.306 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.713 3.683 -11.223 1.00 0.00 H new ATOM 0 HG LEU A 32 8.453 4.262 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.803 3.660 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.792 2.451 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.041 3.657 -12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.837 6.012 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.091 6.113 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.713 6.510 -10.571 1.00 0.00 H new ATOM 440 N GLY A 33 3.236 5.289 -10.385 1.00 0.00 N ATOM 441 CA GLY A 33 2.101 5.715 -11.167 1.00 0.00 C ATOM 442 C GLY A 33 1.934 4.930 -12.431 1.00 0.00 C ATOM 443 O GLY A 33 2.276 3.752 -12.504 1.00 0.00 O ATOM 0 H GLY A 33 3.011 4.666 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.197 5.622 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.212 6.771 -11.414 1.00 0.00 H new ATOM 447 N CYS A 34 1.409 5.591 -13.431 1.00 0.00 N ATOM 448 CA CYS A 34 1.187 4.977 -14.729 1.00 0.00 C ATOM 449 C CYS A 34 1.578 5.938 -15.848 1.00 0.00 C ATOM 450 O CYS A 34 0.909 6.947 -16.075 1.00 0.00 O ATOM 451 CB CYS A 34 -0.274 4.568 -14.879 1.00 0.00 C ATOM 452 SG CYS A 34 -0.512 2.907 -15.583 1.00 0.00 S ATOM 0 H CYS A 34 1.122 6.568 -13.376 1.00 0.00 H new ATOM 0 HA CYS A 34 1.811 4.086 -14.799 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.754 4.609 -13.901 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.781 5.296 -15.513 1.00 0.00 H new ATOM 457 N PHE A 35 2.664 5.618 -16.548 1.00 0.00 N ATOM 458 CA PHE A 35 3.142 6.458 -17.642 1.00 0.00 C ATOM 459 C PHE A 35 2.797 5.871 -18.996 1.00 0.00 C ATOM 460 O PHE A 35 2.661 4.657 -19.153 1.00 0.00 O ATOM 461 CB PHE A 35 4.662 6.621 -17.595 1.00 0.00 C ATOM 462 CG PHE A 35 5.236 6.791 -16.227 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.267 5.728 -15.341 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.766 8.007 -15.836 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.813 5.877 -14.086 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.319 8.162 -14.580 1.00 0.00 C ATOM 467 CZ PHE A 35 6.341 7.095 -13.705 1.00 0.00 C ATOM 0 H PHE A 35 3.228 4.785 -16.377 1.00 0.00 H new ATOM 0 HA PHE A 35 2.648 7.421 -17.515 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.121 5.748 -18.059 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.939 7.485 -18.199 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.859 4.773 -15.637 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.747 8.843 -16.519 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.828 5.043 -13.400 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.733 9.115 -14.284 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.771 7.213 -12.721 1.00 0.00 H new ATOM 477 N VAL A 36 2.710 6.747 -19.986 1.00 0.00 N ATOM 478 CA VAL A 36 2.446 6.330 -21.348 1.00 0.00 C ATOM 479 C VAL A 36 3.252 7.175 -22.311 1.00 0.00 C ATOM 480 O VAL A 36 2.976 8.356 -22.519 1.00 0.00 O ATOM 481 CB VAL A 36 0.967 6.404 -21.741 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.735 5.573 -22.995 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.080 5.939 -20.598 1.00 0.00 C ATOM 0 H VAL A 36 2.819 7.754 -19.867 1.00 0.00 H new ATOM 0 HA VAL A 36 2.740 5.282 -21.404 1.00 0.00 H new ATOM 0 HB VAL A 36 0.703 7.440 -21.954 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.317 5.624 -23.276 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.347 5.963 -23.808 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.008 4.536 -22.800 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.965 6.000 -20.900 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.324 4.907 -20.344 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.244 6.575 -19.728 1.00 0.00 H new ATOM 493 N GLY A 37 4.253 6.547 -22.887 1.00 0.00 N ATOM 494 CA GLY A 37 5.122 7.225 -23.833 1.00 0.00 C ATOM 495 C GLY A 37 6.110 8.171 -23.167 1.00 0.00 C ATOM 496 O GLY A 37 6.536 9.155 -23.773 1.00 0.00 O ATOM 0 H GLY A 37 4.488 5.569 -22.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.673 6.481 -24.408 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.511 7.787 -24.540 1.00 0.00 H new ATOM 500 N THR A 38 6.482 7.875 -21.923 1.00 0.00 N ATOM 501 CA THR A 38 7.436 8.710 -21.187 1.00 0.00 C ATOM 502 C THR A 38 8.759 7.972 -20.993 1.00 0.00 C ATOM 503 O THR A 38 8.881 6.801 -21.348 1.00 0.00 O ATOM 504 CB THR A 38 6.877 9.104 -19.810 1.00 0.00 C ATOM 505 OG1 THR A 38 7.068 8.060 -18.871 1.00 0.00 O ATOM 506 CG2 THR A 38 5.402 9.439 -19.810 1.00 0.00 C ATOM 0 H THR A 38 6.140 7.067 -21.403 1.00 0.00 H new ATOM 0 HA THR A 38 7.604 9.612 -21.776 1.00 0.00 H new ATOM 0 HB THR A 38 7.432 10.002 -19.539 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.329 8.441 -18.007 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.089 9.706 -18.800 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.220 10.279 -20.480 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.832 8.574 -20.149 1.00 0.00 H new ATOM 514 N ALA A 39 9.735 8.652 -20.387 1.00 0.00 N ATOM 515 CA ALA A 39 11.027 8.033 -20.107 1.00 0.00 C ATOM 516 C ALA A 39 10.816 6.877 -19.142 1.00 0.00 C ATOM 517 O ALA A 39 11.307 5.781 -19.348 1.00 0.00 O ATOM 518 CB ALA A 39 11.997 9.053 -19.528 1.00 0.00 C ATOM 0 H ALA A 39 9.654 9.623 -20.084 1.00 0.00 H new ATOM 0 HA ALA A 39 11.462 7.657 -21.033 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.954 8.571 -19.326 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.142 9.863 -20.242 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.591 9.456 -18.600 1.00 0.00 H new ATOM 524 N GLU A 40 10.048 7.148 -18.101 1.00 0.00 N ATOM 525 CA GLU A 40 9.691 6.167 -17.086 1.00 0.00 C ATOM 526 C GLU A 40 8.798 5.068 -17.676 1.00 0.00 C ATOM 527 O GLU A 40 8.150 4.328 -16.934 1.00 0.00 O ATOM 528 CB GLU A 40 8.987 6.850 -15.928 1.00 0.00 C ATOM 529 CG GLU A 40 9.845 6.985 -14.680 1.00 0.00 C ATOM 530 CD GLU A 40 10.864 8.102 -14.794 1.00 0.00 C ATOM 531 OE1 GLU A 40 11.540 8.187 -15.843 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.990 8.892 -13.835 1.00 0.00 O ATOM 0 H GLU A 40 9.647 8.071 -17.933 1.00 0.00 H new ATOM 0 HA GLU A 40 10.607 5.701 -16.722 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.665 7.842 -16.245 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.087 6.287 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.202 7.170 -13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.362 6.043 -14.495 1.00 0.00 H new ATOM 539 N ALA A 41 8.720 5.002 -19.008 1.00 0.00 N ATOM 540 CA ALA A 41 7.861 4.026 -19.682 1.00 0.00 C ATOM 541 C ALA A 41 8.511 3.388 -20.906 1.00 0.00 C ATOM 542 O ALA A 41 7.924 2.520 -21.555 1.00 0.00 O ATOM 543 CB ALA A 41 6.623 4.731 -20.134 1.00 0.00 C ATOM 0 H ALA A 41 9.240 5.611 -19.639 1.00 0.00 H new ATOM 0 HA ALA A 41 7.657 3.228 -18.968 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.966 4.024 -20.640 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.108 5.151 -19.270 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.891 5.533 -20.822 1.00 0.00 H new ATOM 549 N LEU A 42 9.732 3.781 -21.187 1.00 0.00 N ATOM 550 CA LEU A 42 10.484 3.229 -22.296 1.00 0.00 C ATOM 551 C LEU A 42 10.745 1.731 -22.106 1.00 0.00 C ATOM 552 O LEU A 42 11.148 1.034 -23.038 1.00 0.00 O ATOM 553 CB LEU A 42 11.822 3.971 -22.431 1.00 0.00 C ATOM 554 CG LEU A 42 12.647 4.172 -21.133 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.108 3.349 -19.962 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.109 3.836 -21.386 1.00 0.00 C ATOM 0 H LEU A 42 10.234 4.492 -20.655 1.00 0.00 H new ATOM 0 HA LEU A 42 9.893 3.357 -23.203 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.441 3.428 -23.145 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.624 4.952 -22.862 1.00 0.00 H new ATOM 0 HG LEU A 42 12.556 5.221 -20.853 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.722 3.527 -19.079 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.079 3.643 -19.754 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.138 2.290 -20.217 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.680 3.980 -20.469 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.194 2.798 -21.706 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.503 4.489 -22.165 1.00 0.00 H new ATOM 568 N ARG A 43 10.538 1.262 -20.881 1.00 0.00 N ATOM 569 CA ARG A 43 10.769 -0.129 -20.516 1.00 0.00 C ATOM 570 C ARG A 43 10.053 -1.112 -21.425 1.00 0.00 C ATOM 571 O ARG A 43 10.312 -2.312 -21.371 1.00 0.00 O ATOM 572 CB ARG A 43 10.299 -0.361 -19.110 1.00 0.00 C ATOM 573 CG ARG A 43 11.333 -1.026 -18.217 1.00 0.00 C ATOM 574 CD ARG A 43 12.589 -0.177 -18.091 1.00 0.00 C ATOM 575 NE ARG A 43 13.013 -0.031 -16.701 1.00 0.00 N ATOM 576 CZ ARG A 43 14.266 -0.205 -16.282 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.224 -0.530 -17.143 1.00 0.00 N ATOM 578 NH2 ARG A 43 14.563 -0.053 -14.998 1.00 0.00 N ATOM 0 H ARG A 43 10.203 1.840 -20.110 1.00 0.00 H new ATOM 0 HA ARG A 43 11.840 -0.303 -20.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.014 0.595 -18.670 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.402 -0.980 -19.135 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.906 -1.196 -17.228 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.592 -2.003 -18.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.393 -0.631 -18.670 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.405 0.808 -18.519 1.00 0.00 H new ATOM 0 HE ARG A 43 12.307 0.219 -16.009 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.003 -0.648 -18.132 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.181 -0.662 -16.815 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.832 0.197 -14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.522 -0.186 -14.677 1.00 0.00 H new ATOM 592 N CYS A 44 9.156 -0.613 -22.252 1.00 0.00 N ATOM 593 CA CYS A 44 8.415 -1.470 -23.150 1.00 0.00 C ATOM 594 C CYS A 44 9.338 -2.084 -24.190 1.00 0.00 C ATOM 595 O CYS A 44 8.935 -2.955 -24.955 1.00 0.00 O ATOM 596 CB CYS A 44 7.265 -0.724 -23.787 1.00 0.00 C ATOM 597 SG CYS A 44 5.633 -1.101 -23.050 1.00 0.00 S ATOM 0 H CYS A 44 8.925 0.378 -22.319 1.00 0.00 H new ATOM 0 HA CYS A 44 7.985 -2.287 -22.570 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.450 0.347 -23.705 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.236 -0.962 -24.850 1.00 0.00 H new ATOM 602 N GLN A 45 10.608 -1.680 -24.164 1.00 0.00 N ATOM 603 CA GLN A 45 11.601 -2.247 -25.040 1.00 0.00 C ATOM 604 C GLN A 45 11.791 -3.720 -24.663 1.00 0.00 C ATOM 605 O GLN A 45 12.351 -4.527 -25.406 1.00 0.00 O ATOM 606 CB GLN A 45 12.903 -1.490 -24.877 1.00 0.00 C ATOM 607 CG GLN A 45 13.166 -0.475 -25.977 1.00 0.00 C ATOM 608 CD GLN A 45 14.368 0.404 -25.685 1.00 0.00 C ATOM 609 OE1 GLN A 45 15.402 0.300 -26.343 1.00 0.00 O ATOM 610 NE2 GLN A 45 14.234 1.277 -24.693 1.00 0.00 N ATOM 0 H GLN A 45 10.963 -0.957 -23.538 1.00 0.00 H new ATOM 0 HA GLN A 45 11.283 -2.174 -26.080 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.895 -0.976 -23.916 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.726 -2.204 -24.850 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.324 -0.999 -26.920 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.284 0.153 -26.105 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.357 1.329 -24.174 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.008 1.896 -24.450 1.00 0.00 H new ATOM 619 N GLU A 46 11.226 -4.037 -23.502 1.00 0.00 N ATOM 620 CA GLU A 46 11.213 -5.384 -22.974 1.00 0.00 C ATOM 621 C GLU A 46 10.122 -6.157 -23.696 1.00 0.00 C ATOM 622 O GLU A 46 10.193 -7.379 -23.837 1.00 0.00 O ATOM 623 CB GLU A 46 10.963 -5.383 -21.459 1.00 0.00 C ATOM 624 CG GLU A 46 9.570 -4.923 -21.057 1.00 0.00 C ATOM 625 CD GLU A 46 8.548 -6.043 -21.122 1.00 0.00 C ATOM 626 OE1 GLU A 46 8.863 -7.162 -20.668 1.00 0.00 O ATOM 627 OE2 GLU A 46 7.431 -5.799 -21.627 1.00 0.00 O ATOM 0 H GLU A 46 10.762 -3.356 -22.901 1.00 0.00 H new ATOM 0 HA GLU A 46 12.183 -5.854 -23.137 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.126 -6.390 -21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.699 -4.736 -20.981 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.601 -4.522 -20.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.256 -4.110 -21.712 1.00 0.00 H new ATOM 634 N GLU A 47 9.124 -5.415 -24.189 1.00 0.00 N ATOM 635 CA GLU A 47 8.026 -6.033 -24.935 1.00 0.00 C ATOM 636 C GLU A 47 8.458 -6.334 -26.376 1.00 0.00 C ATOM 637 O GLU A 47 7.634 -6.662 -27.229 1.00 0.00 O ATOM 638 CB GLU A 47 6.764 -5.143 -24.896 1.00 0.00 C ATOM 639 CG GLU A 47 6.685 -4.073 -25.982 1.00 0.00 C ATOM 640 CD GLU A 47 5.900 -4.530 -27.197 1.00 0.00 C ATOM 641 OE1 GLU A 47 4.834 -5.155 -27.014 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.350 -4.262 -28.330 1.00 0.00 O ATOM 0 H GLU A 47 9.055 -4.402 -24.087 1.00 0.00 H new ATOM 0 HA GLU A 47 7.773 -6.980 -24.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.886 -5.783 -24.976 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.715 -4.654 -23.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.221 -3.177 -25.570 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.694 -3.797 -26.289 1.00 0.00 H new ATOM 649 N ASN A 48 9.762 -6.225 -26.630 1.00 0.00 N ATOM 650 CA ASN A 48 10.319 -6.482 -27.935 1.00 0.00 C ATOM 651 C ASN A 48 11.806 -6.838 -27.840 1.00 0.00 C ATOM 652 O ASN A 48 12.502 -6.906 -28.853 1.00 0.00 O ATOM 653 CB ASN A 48 10.112 -5.270 -28.844 1.00 0.00 C ATOM 654 CG ASN A 48 10.907 -4.056 -28.396 1.00 0.00 C ATOM 655 OD1 ASN A 48 10.419 -3.233 -27.621 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.136 -3.940 -28.883 1.00 0.00 N ATOM 0 H ASN A 48 10.452 -5.955 -25.929 1.00 0.00 H new ATOM 0 HA ASN A 48 9.799 -7.337 -28.366 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.400 -5.532 -29.862 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.052 -5.016 -28.868 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.717 -3.145 -28.618 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.500 -4.646 -29.523 1.00 0.00 H new ATOM 663 N TYR A 49 12.281 -7.070 -26.617 1.00 0.00 N ATOM 664 CA TYR A 49 13.678 -7.424 -26.395 1.00 0.00 C ATOM 665 C TYR A 49 13.793 -8.851 -25.873 1.00 0.00 C ATOM 666 O TYR A 49 14.625 -9.630 -26.338 1.00 0.00 O ATOM 667 CB TYR A 49 14.325 -6.458 -25.406 1.00 0.00 C ATOM 668 CG TYR A 49 15.140 -5.367 -26.066 1.00 0.00 C ATOM 669 CD1 TYR A 49 14.602 -4.586 -27.081 1.00 0.00 C ATOM 670 CD2 TYR A 49 16.448 -5.118 -25.671 1.00 0.00 C ATOM 671 CE1 TYR A 49 15.346 -3.590 -27.685 1.00 0.00 C ATOM 672 CE2 TYR A 49 17.197 -4.123 -26.269 1.00 0.00 C ATOM 673 CZ TYR A 49 16.642 -3.362 -27.275 1.00 0.00 C ATOM 674 OH TYR A 49 17.385 -2.369 -27.873 1.00 0.00 O ATOM 0 H TYR A 49 11.718 -7.019 -25.768 1.00 0.00 H new ATOM 0 HA TYR A 49 14.200 -7.355 -27.349 1.00 0.00 H new ATOM 0 HB2 TYR A 49 13.546 -5.999 -24.797 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.968 -7.021 -24.730 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.586 -4.760 -27.403 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.887 -5.712 -24.883 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.914 -2.993 -28.475 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.213 -3.942 -25.950 1.00 0.00 H new ATOM 0 HH TYR A 49 18.277 -2.338 -27.467 1.00 0.00 H new ATOM 684 N LEU A 50 12.948 -9.186 -24.905 1.00 0.00 N ATOM 685 CA LEU A 50 12.948 -10.521 -24.318 1.00 0.00 C ATOM 686 C LEU A 50 11.753 -11.331 -24.820 1.00 0.00 C ATOM 687 O LEU A 50 10.737 -10.764 -25.220 1.00 0.00 O ATOM 688 CB LEU A 50 12.912 -10.429 -22.791 1.00 0.00 C ATOM 689 CG LEU A 50 14.232 -10.024 -22.136 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.187 -8.569 -21.697 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.538 -10.932 -20.954 1.00 0.00 C ATOM 0 H LEU A 50 12.254 -8.552 -24.510 1.00 0.00 H new ATOM 0 HA LEU A 50 13.864 -11.028 -24.622 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.146 -9.709 -22.504 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.607 -11.396 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 50 15.030 -10.134 -22.870 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.136 -8.299 -21.233 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.014 -7.932 -22.565 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.379 -8.431 -20.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 15.481 -10.631 -20.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.738 -10.853 -20.218 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.614 -11.964 -21.298 1.00 0.00 H new ATOM 703 N PRO A 51 11.855 -12.679 -24.811 1.00 0.00 N ATOM 704 CA PRO A 51 10.774 -13.562 -25.273 1.00 0.00 C ATOM 705 C PRO A 51 9.398 -13.151 -24.758 1.00 0.00 C ATOM 706 O PRO A 51 9.270 -12.576 -23.677 1.00 0.00 O ATOM 707 CB PRO A 51 11.184 -14.911 -24.696 1.00 0.00 C ATOM 708 CG PRO A 51 12.665 -14.865 -24.754 1.00 0.00 C ATOM 709 CD PRO A 51 13.029 -13.460 -24.360 1.00 0.00 C ATOM 0 HA PRO A 51 10.666 -13.546 -26.358 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.824 -15.039 -23.675 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.783 -15.739 -25.281 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.109 -15.593 -24.074 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.028 -15.100 -25.754 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.187 -13.369 -23.285 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.947 -13.128 -24.846 1.00 0.00 H new ATOM 717 N SER A 52 8.371 -13.448 -25.547 1.00 0.00 N ATOM 718 CA SER A 52 6.994 -13.116 -25.187 1.00 0.00 C ATOM 719 C SER A 52 6.566 -13.783 -23.873 1.00 0.00 C ATOM 720 O SER A 52 5.964 -13.132 -23.020 1.00 0.00 O ATOM 721 CB SER A 52 6.044 -13.536 -26.311 1.00 0.00 C ATOM 722 OG SER A 52 4.721 -13.102 -26.050 1.00 0.00 O ATOM 0 H SER A 52 8.466 -13.921 -26.446 1.00 0.00 H new ATOM 0 HA SER A 52 6.945 -12.037 -25.044 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.387 -13.117 -27.257 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.060 -14.621 -26.418 1.00 0.00 H new ATOM 0 HG SER A 52 4.134 -13.382 -26.784 1.00 0.00 H new ATOM 728 N PRO A 53 6.854 -15.099 -23.693 1.00 0.00 N ATOM 729 CA PRO A 53 6.479 -15.846 -22.486 1.00 0.00 C ATOM 730 C PRO A 53 6.580 -15.046 -21.184 1.00 0.00 C ATOM 731 O PRO A 53 7.625 -15.022 -20.535 1.00 0.00 O ATOM 732 CB PRO A 53 7.488 -16.988 -22.484 1.00 0.00 C ATOM 733 CG PRO A 53 7.716 -17.281 -23.927 1.00 0.00 C ATOM 734 CD PRO A 53 7.552 -15.973 -24.663 1.00 0.00 C ATOM 0 HA PRO A 53 5.432 -16.146 -22.517 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.414 -16.700 -21.986 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.100 -17.860 -21.957 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.713 -17.693 -24.086 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.003 -18.022 -24.289 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.516 -15.556 -24.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.971 -16.099 -25.576 1.00 0.00 H new ATOM 742 N CYS A 54 5.474 -14.410 -20.805 1.00 0.00 N ATOM 743 CA CYS A 54 5.424 -13.635 -19.582 1.00 0.00 C ATOM 744 C CYS A 54 3.996 -13.214 -19.214 1.00 0.00 C ATOM 745 O CYS A 54 3.375 -12.389 -19.880 1.00 0.00 O ATOM 746 CB CYS A 54 6.380 -12.430 -19.669 1.00 0.00 C ATOM 747 SG CYS A 54 5.752 -10.972 -20.577 1.00 0.00 S ATOM 0 H CYS A 54 4.602 -14.420 -21.333 1.00 0.00 H new ATOM 0 HA CYS A 54 5.764 -14.277 -18.769 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.635 -12.120 -18.656 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.304 -12.759 -20.144 1.00 0.00 H new ATOM 752 N GLN A 55 3.487 -13.800 -18.129 1.00 0.00 N ATOM 753 CA GLN A 55 2.141 -13.497 -17.630 1.00 0.00 C ATOM 754 C GLN A 55 1.090 -13.458 -18.763 1.00 0.00 C ATOM 755 O GLN A 55 0.912 -14.447 -19.475 1.00 0.00 O ATOM 756 CB GLN A 55 2.173 -12.176 -16.842 1.00 0.00 C ATOM 757 CG GLN A 55 2.555 -10.967 -17.682 1.00 0.00 C ATOM 758 CD GLN A 55 1.994 -9.673 -17.126 1.00 0.00 C ATOM 759 OE1 GLN A 55 2.732 -8.712 -16.899 1.00 0.00 O ATOM 760 NE2 GLN A 55 0.686 -9.642 -16.903 1.00 0.00 N ATOM 0 H GLN A 55 3.990 -14.493 -17.574 1.00 0.00 H new ATOM 0 HA GLN A 55 1.834 -14.303 -16.963 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.192 -12.004 -16.400 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.881 -12.272 -16.019 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.641 -10.895 -17.736 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.194 -11.108 -18.701 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.114 -10.462 -17.106 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.252 -8.798 -16.529 1.00 0.00 H new ATOM 769 N SER A 56 0.401 -12.322 -18.931 1.00 0.00 N ATOM 770 CA SER A 56 -0.604 -12.183 -19.966 1.00 0.00 C ATOM 771 C SER A 56 -1.034 -10.725 -20.134 1.00 0.00 C ATOM 772 O SER A 56 -0.574 -10.037 -21.043 1.00 0.00 O ATOM 773 CB SER A 56 -1.817 -13.066 -19.660 1.00 0.00 C ATOM 774 OG SER A 56 -2.798 -12.954 -20.676 1.00 0.00 O ATOM 0 H SER A 56 0.530 -11.489 -18.356 1.00 0.00 H new ATOM 0 HA SER A 56 -0.160 -12.511 -20.906 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.501 -14.105 -19.568 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.248 -12.778 -18.701 1.00 0.00 H new ATOM 0 HG SER A 56 -3.562 -13.529 -20.458 1.00 0.00 H new ATOM 780 N GLY A 57 -1.923 -10.254 -19.257 1.00 0.00 N ATOM 781 CA GLY A 57 -2.392 -8.879 -19.347 1.00 0.00 C ATOM 782 C GLY A 57 -3.026 -8.376 -18.063 1.00 0.00 C ATOM 783 O GLY A 57 -2.980 -9.050 -17.034 1.00 0.00 O ATOM 0 H GLY A 57 -2.324 -10.796 -18.492 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.554 -8.233 -19.608 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.118 -8.802 -20.157 1.00 0.00 H new ATOM 787 N GLN A 58 -3.604 -7.177 -18.126 1.00 0.00 N ATOM 788 CA GLN A 58 -4.235 -6.571 -16.962 1.00 0.00 C ATOM 789 C GLN A 58 -5.725 -6.354 -17.152 1.00 0.00 C ATOM 790 O GLN A 58 -6.145 -5.327 -17.689 1.00 0.00 O ATOM 791 CB GLN A 58 -3.631 -5.235 -16.673 1.00 0.00 C ATOM 792 CG GLN A 58 -2.858 -5.214 -15.372 1.00 0.00 C ATOM 793 CD GLN A 58 -3.642 -4.592 -14.234 1.00 0.00 C ATOM 794 OE1 GLN A 58 -4.828 -4.300 -14.373 1.00 0.00 O ATOM 795 NE2 GLN A 58 -2.981 -4.389 -13.100 1.00 0.00 N ATOM 0 H GLN A 58 -3.647 -6.609 -18.972 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.073 -7.269 -16.140 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.966 -4.957 -17.491 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.420 -4.484 -16.634 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.581 -6.233 -15.102 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.931 -4.659 -15.514 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.997 -4.647 -13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.458 -3.975 -12.299 1.00 0.00 H new ATOM 804 N LYS A 59 -6.509 -7.343 -16.768 1.00 0.00 N ATOM 805 CA LYS A 59 -7.959 -7.336 -16.924 1.00 0.00 C ATOM 806 C LYS A 59 -8.637 -5.963 -16.959 1.00 0.00 C ATOM 807 O LYS A 59 -8.700 -5.248 -15.956 1.00 0.00 O ATOM 808 CB LYS A 59 -8.601 -8.194 -15.833 1.00 0.00 C ATOM 809 CG LYS A 59 -8.323 -7.699 -14.425 1.00 0.00 C ATOM 810 CD LYS A 59 -7.739 -8.799 -13.552 1.00 0.00 C ATOM 811 CE LYS A 59 -8.060 -8.575 -12.083 1.00 0.00 C ATOM 812 NZ LYS A 59 -7.284 -9.488 -11.198 1.00 0.00 N ATOM 0 H LYS A 59 -6.153 -8.193 -16.330 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.123 -7.749 -17.919 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.679 -8.222 -15.993 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.238 -9.217 -15.927 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.631 -6.858 -14.464 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.247 -7.331 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.134 -9.764 -13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.658 -8.837 -13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.842 -7.541 -11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.126 -8.729 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.532 -9.303 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.511 -10.475 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.266 -9.324 -11.337 1.00 0.00 H new ATOM 826 N PRO A 60 -9.143 -5.579 -18.157 1.00 0.00 N ATOM 827 CA PRO A 60 -9.824 -4.316 -18.361 1.00 0.00 C ATOM 828 C PRO A 60 -10.861 -4.048 -17.277 1.00 0.00 C ATOM 829 O PRO A 60 -11.157 -4.939 -16.473 1.00 0.00 O ATOM 830 CB PRO A 60 -10.523 -4.481 -19.710 1.00 0.00 C ATOM 831 CG PRO A 60 -9.727 -5.495 -20.444 1.00 0.00 C ATOM 832 CD PRO A 60 -9.035 -6.344 -19.409 1.00 0.00 C ATOM 0 HA PRO A 60 -9.127 -3.478 -18.329 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.554 -4.809 -19.581 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.555 -3.537 -20.254 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.370 -6.106 -21.077 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.999 -5.015 -21.098 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.510 -7.321 -19.317 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.993 -6.520 -19.675 1.00 0.00 H new ATOM 840 N CYS A 61 -11.395 -2.829 -17.212 1.00 0.00 N ATOM 841 CA CYS A 61 -12.355 -2.480 -16.199 1.00 0.00 C ATOM 842 C CYS A 61 -13.301 -1.399 -16.651 1.00 0.00 C ATOM 843 O CYS A 61 -12.966 -0.547 -17.487 1.00 0.00 O ATOM 844 CB CYS A 61 -11.683 -1.963 -14.933 1.00 0.00 C ATOM 845 SG CYS A 61 -10.083 -1.084 -15.181 1.00 0.00 S ATOM 0 H CYS A 61 -11.169 -2.073 -17.858 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.899 -3.404 -16.002 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.373 -1.288 -14.427 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.513 -2.806 -14.263 1.00 0.00 H new ATOM 850 N GLY A 62 -14.497 -1.490 -16.102 1.00 0.00 N ATOM 851 CA GLY A 62 -15.578 -0.561 -16.415 1.00 0.00 C ATOM 852 C GLY A 62 -15.181 0.911 -16.434 1.00 0.00 C ATOM 853 O GLY A 62 -15.965 1.747 -16.869 1.00 0.00 O ATOM 0 H GLY A 62 -14.752 -2.209 -15.425 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.990 -0.823 -17.390 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.376 -0.697 -15.685 1.00 0.00 H new ATOM 857 N SER A 63 -13.971 1.219 -16.009 1.00 0.00 N ATOM 858 CA SER A 63 -13.501 2.563 -16.032 1.00 0.00 C ATOM 859 C SER A 63 -12.839 2.849 -17.383 1.00 0.00 C ATOM 860 O SER A 63 -11.878 3.615 -17.483 1.00 0.00 O ATOM 861 CB SER A 63 -12.549 2.820 -14.876 1.00 0.00 C ATOM 862 OG SER A 63 -12.538 4.191 -14.530 1.00 0.00 O ATOM 0 H SER A 63 -13.302 0.541 -15.644 1.00 0.00 H new ATOM 0 HA SER A 63 -14.344 3.243 -15.910 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.848 2.225 -14.013 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.543 2.501 -15.150 1.00 0.00 H new ATOM 0 HG SER A 63 -11.938 4.676 -15.134 1.00 0.00 H new ATOM 868 N GLY A 64 -13.406 2.226 -18.407 1.00 0.00 N ATOM 869 CA GLY A 64 -12.944 2.380 -19.774 1.00 0.00 C ATOM 870 C GLY A 64 -11.463 2.203 -19.963 1.00 0.00 C ATOM 871 O GLY A 64 -10.785 3.073 -20.503 1.00 0.00 O ATOM 0 H GLY A 64 -14.203 1.597 -18.309 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.465 1.658 -20.402 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.225 3.372 -20.128 1.00 0.00 H new ATOM 875 N GLY A 65 -10.963 1.067 -19.539 1.00 0.00 N ATOM 876 CA GLY A 65 -9.561 0.745 -19.669 1.00 0.00 C ATOM 877 C GLY A 65 -9.152 -0.423 -18.796 1.00 0.00 C ATOM 878 O GLY A 65 -10.000 -1.140 -18.301 1.00 0.00 O ATOM 0 H GLY A 65 -11.518 0.337 -19.093 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.340 0.511 -20.710 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.965 1.618 -19.405 1.00 0.00 H new ATOM 882 N ARG A 66 -7.856 -0.624 -18.619 1.00 0.00 N ATOM 883 CA ARG A 66 -7.377 -1.738 -17.810 1.00 0.00 C ATOM 884 C ARG A 66 -7.039 -1.311 -16.411 1.00 0.00 C ATOM 885 O ARG A 66 -6.806 -0.144 -16.172 1.00 0.00 O ATOM 886 CB ARG A 66 -6.187 -2.474 -18.417 1.00 0.00 C ATOM 887 CG ARG A 66 -6.084 -2.348 -19.925 1.00 0.00 C ATOM 888 CD ARG A 66 -7.362 -2.839 -20.580 1.00 0.00 C ATOM 889 NE ARG A 66 -7.174 -3.141 -21.999 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.173 -3.311 -22.866 1.00 0.00 C ATOM 891 NH1 ARG A 66 -9.435 -3.198 -22.469 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.908 -3.592 -24.135 1.00 0.00 N ATOM 0 H ARG A 66 -7.122 -0.039 -19.019 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.213 -2.437 -17.784 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.270 -2.092 -17.968 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.255 -3.530 -18.155 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.902 -1.309 -20.199 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.235 -2.927 -20.289 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.713 -3.732 -20.063 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.138 -2.082 -20.471 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.219 -3.227 -22.347 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.646 -2.980 -21.495 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.194 -3.329 -23.138 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.941 -3.678 -24.447 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.672 -3.722 -24.799 1.00 0.00 H new ATOM 906 N CYS A 67 -6.976 -2.252 -15.476 1.00 0.00 N ATOM 907 CA CYS A 67 -6.616 -1.911 -14.112 1.00 0.00 C ATOM 908 C CYS A 67 -5.129 -1.585 -14.015 1.00 0.00 C ATOM 909 O CYS A 67 -4.397 -2.142 -13.201 1.00 0.00 O ATOM 910 CB CYS A 67 -6.973 -3.056 -13.187 1.00 0.00 C ATOM 911 SG CYS A 67 -7.116 -2.630 -11.440 1.00 0.00 S ATOM 0 H CYS A 67 -7.167 -3.241 -15.637 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.175 -1.026 -13.810 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.919 -3.485 -13.517 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.217 -3.834 -13.292 1.00 0.00 H new ATOM 916 N ALA A 68 -4.706 -0.699 -14.896 1.00 0.00 N ATOM 917 CA ALA A 68 -3.312 -0.288 -14.987 1.00 0.00 C ATOM 918 C ALA A 68 -2.670 -0.070 -13.612 1.00 0.00 C ATOM 919 O ALA A 68 -2.166 -1.014 -13.001 1.00 0.00 O ATOM 920 CB ALA A 68 -3.186 0.955 -15.857 1.00 0.00 C ATOM 0 H ALA A 68 -5.318 -0.241 -15.572 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.762 -1.104 -15.455 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.139 1.252 -15.917 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.560 0.738 -16.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.769 1.766 -15.420 1.00 0.00 H new ATOM 926 N ALA A 69 -2.608 1.180 -13.169 1.00 0.00 N ATOM 927 CA ALA A 69 -1.965 1.617 -11.924 1.00 0.00 C ATOM 928 C ALA A 69 -2.627 1.126 -10.628 1.00 0.00 C ATOM 929 O ALA A 69 -3.348 0.135 -10.606 1.00 0.00 O ATOM 930 CB ALA A 69 -1.852 3.135 -11.941 1.00 0.00 C ATOM 0 H ALA A 69 -3.021 1.955 -13.687 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.982 1.147 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.376 3.475 -11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.252 3.446 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.847 3.573 -12.017 1.00 0.00 H new ATOM 936 N ALA A 70 -2.390 1.916 -9.563 1.00 0.00 N ATOM 937 CA ALA A 70 -2.991 1.702 -8.270 1.00 0.00 C ATOM 938 C ALA A 70 -4.478 1.827 -8.445 1.00 0.00 C ATOM 939 O ALA A 70 -5.035 2.905 -8.242 1.00 0.00 O ATOM 940 CB ALA A 70 -2.560 2.757 -7.271 1.00 0.00 C ATOM 0 H ALA A 70 -1.767 2.723 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.687 0.724 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.034 2.562 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.477 2.727 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.859 3.742 -7.630 1.00 0.00 H new ATOM 946 N GLY A 71 -5.129 0.766 -8.864 1.00 0.00 N ATOM 947 CA GLY A 71 -6.530 0.861 -9.097 1.00 0.00 C ATOM 948 C GLY A 71 -6.845 1.833 -10.220 1.00 0.00 C ATOM 949 O GLY A 71 -7.878 2.482 -10.225 1.00 0.00 O ATOM 0 H GLY A 71 -4.713 -0.148 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.926 -0.124 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.030 1.184 -8.184 1.00 0.00 H new ATOM 953 N ILE A 72 -5.958 1.892 -11.197 1.00 0.00 N ATOM 954 CA ILE A 72 -6.141 2.736 -12.346 1.00 0.00 C ATOM 955 C ILE A 72 -6.764 1.920 -13.427 1.00 0.00 C ATOM 956 O ILE A 72 -6.524 0.726 -13.554 1.00 0.00 O ATOM 957 CB ILE A 72 -4.834 3.452 -12.886 1.00 0.00 C ATOM 958 CG1 ILE A 72 -4.708 4.837 -12.246 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.858 3.632 -14.418 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.859 5.837 -13.022 1.00 0.00 C ATOM 0 H ILE A 72 -5.092 1.353 -11.209 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.783 3.557 -12.026 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.988 2.816 -12.624 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.707 5.254 -12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.283 4.721 -11.249 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.942 4.127 -14.741 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.932 2.656 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.717 4.240 -14.699 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.833 6.786 -12.486 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.845 5.450 -13.125 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.291 5.991 -14.011 1.00 0.00 H new ATOM 972 N CYS A 73 -7.514 2.593 -14.236 1.00 0.00 N ATOM 973 CA CYS A 73 -8.127 2.000 -15.347 1.00 0.00 C ATOM 974 C CYS A 73 -7.560 2.768 -16.543 1.00 0.00 C ATOM 975 O CYS A 73 -7.837 3.953 -16.801 1.00 0.00 O ATOM 976 CB CYS A 73 -9.654 1.950 -15.125 1.00 0.00 C ATOM 977 SG CYS A 73 -10.544 0.685 -16.106 1.00 0.00 S ATOM 0 H CYS A 73 -7.713 3.588 -14.129 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.914 0.947 -15.530 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.845 1.768 -14.068 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.071 2.929 -15.360 1.00 0.00 H new ATOM 982 N CYS A 74 -6.594 2.099 -17.150 1.00 0.00 N ATOM 983 CA CYS A 74 -5.797 2.657 -18.207 1.00 0.00 C ATOM 984 C CYS A 74 -5.640 1.694 -19.346 1.00 0.00 C ATOM 985 O CYS A 74 -5.625 0.477 -19.170 1.00 0.00 O ATOM 986 CB CYS A 74 -4.416 2.977 -17.624 1.00 0.00 C ATOM 987 SG CYS A 74 -3.002 3.069 -18.797 1.00 0.00 S ATOM 0 H CYS A 74 -6.345 1.139 -16.912 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.287 3.550 -18.595 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.484 3.932 -17.103 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.183 2.220 -16.875 1.00 0.00 H new ATOM 992 N SER A 75 -5.472 2.261 -20.509 1.00 0.00 N ATOM 993 CA SER A 75 -5.256 1.477 -21.690 1.00 0.00 C ATOM 994 C SER A 75 -3.888 1.854 -22.274 1.00 0.00 C ATOM 995 O SER A 75 -2.970 2.116 -21.502 1.00 0.00 O ATOM 996 CB SER A 75 -6.409 1.759 -22.658 1.00 0.00 C ATOM 997 OG SER A 75 -7.662 1.434 -22.074 1.00 0.00 O ATOM 0 H SER A 75 -5.481 3.269 -20.663 1.00 0.00 H new ATOM 0 HA SER A 75 -5.243 0.407 -21.483 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.399 2.811 -22.942 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.270 1.181 -23.572 1.00 0.00 H new ATOM 0 HG SER A 75 -8.380 1.625 -22.713 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.700 1.991 -23.601 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.435 2.431 -24.132 1.00 0.00 C ATOM 1005 C PRO A 76 -2.478 3.946 -24.299 1.00 0.00 C ATOM 1006 O PRO A 76 -1.460 4.633 -24.322 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.364 1.739 -25.498 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.775 1.407 -25.875 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.656 1.780 -24.704 1.00 0.00 C ATOM 0 HA PRO A 76 -1.578 2.195 -23.502 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.906 2.392 -26.241 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.753 0.838 -25.446 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.072 1.955 -26.769 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.871 0.346 -26.105 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.235 2.680 -24.909 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.368 0.989 -24.471 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.701 4.412 -24.523 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.041 5.831 -24.827 1.00 0.00 C ATOM 1019 C ASP A 77 -3.758 6.719 -23.664 1.00 0.00 C ATOM 1020 O ASP A 77 -2.926 7.624 -23.756 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.511 5.955 -25.234 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.687 6.691 -26.550 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.951 6.374 -27.508 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.559 7.580 -26.617 1.00 0.00 O ATOM 0 H ASP A 77 -4.522 3.808 -24.501 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.413 6.150 -25.659 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.948 4.960 -25.316 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.059 6.480 -24.451 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.370 6.408 -22.510 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.067 7.143 -21.294 1.00 0.00 C ATOM 1031 C GLY A 78 -4.556 6.448 -20.043 1.00 0.00 C ATOM 1032 O GLY A 78 -5.529 5.694 -20.094 1.00 0.00 O ATOM 0 H GLY A 78 -5.062 5.666 -22.404 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.989 7.289 -21.224 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.519 8.133 -21.353 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.894 6.685 -18.923 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.274 6.072 -17.660 1.00 0.00 C ATOM 1038 C CYS A 79 -4.738 7.079 -16.672 1.00 0.00 C ATOM 1039 O CYS A 79 -4.205 8.189 -16.584 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.120 5.382 -16.976 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.912 4.623 -18.094 1.00 0.00 S ATOM 0 H CYS A 79 -3.084 7.302 -18.862 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.058 5.367 -17.935 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.604 6.107 -16.346 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.517 4.611 -16.316 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.733 6.691 -15.929 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.280 7.586 -14.925 1.00 0.00 C ATOM 1048 C GLU A 80 -6.723 6.853 -13.669 1.00 0.00 C ATOM 1049 O GLU A 80 -7.314 5.791 -13.761 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.440 8.395 -15.501 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.623 7.541 -15.929 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.955 8.216 -15.670 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.342 8.336 -14.488 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.613 8.630 -16.650 1.00 0.00 O ATOM 0 H GLU A 80 -6.183 5.778 -15.989 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.477 8.264 -14.636 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.774 9.117 -14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.084 8.965 -16.359 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.536 7.313 -16.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.592 6.591 -15.396 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.374 7.388 -12.488 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.703 6.746 -11.226 1.00 0.00 C ATOM 1063 C GLU A 81 -8.191 6.508 -11.109 1.00 0.00 C ATOM 1064 O GLU A 81 -8.925 7.336 -10.568 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.218 7.612 -10.065 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.591 9.069 -10.209 1.00 0.00 C ATOM 1067 CD GLU A 81 -7.557 9.540 -9.139 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -7.458 9.049 -7.993 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -8.409 10.397 -9.447 1.00 0.00 O ATOM 0 H GLU A 81 -5.863 8.266 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.202 5.779 -11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.636 7.227 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.134 7.528 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.687 9.676 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.038 9.229 -11.190 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.643 5.400 -11.671 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.013 5.086 -11.690 1.00 0.00 C ATOM 1078 C ASP A 82 -10.502 4.434 -10.427 1.00 0.00 C ATOM 1079 O ASP A 82 -10.077 3.347 -10.054 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.285 4.181 -12.843 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.950 4.880 -14.151 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -10.683 5.832 -14.510 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.983 4.514 -14.810 1.00 0.00 O ATOM 0 H ASP A 82 -8.046 4.707 -12.122 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.552 6.029 -11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.693 3.270 -12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.333 3.882 -12.840 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.486 5.083 -9.794 1.00 0.00 N ATOM 1089 CA PRO A 83 -12.150 4.577 -8.618 1.00 0.00 C ATOM 1090 C PRO A 83 -12.780 3.248 -8.945 1.00 0.00 C ATOM 1091 O PRO A 83 -13.411 2.601 -8.105 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.227 5.633 -8.340 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.707 6.852 -8.993 1.00 0.00 C ATOM 1094 CD PRO A 83 -12.054 6.337 -10.232 1.00 0.00 C ATOM 0 HA PRO A 83 -11.489 4.419 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.191 5.339 -8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.372 5.784 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.507 7.555 -9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.997 7.377 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.772 6.196 -11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.290 7.021 -10.601 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.542 2.830 -10.184 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.997 1.598 -10.652 1.00 0.00 C ATOM 1104 C ALA A 84 -12.100 0.524 -10.087 1.00 0.00 C ATOM 1105 O ALA A 84 -12.540 -0.583 -9.779 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.958 1.634 -12.158 1.00 0.00 C ATOM 0 H ALA A 84 -12.018 3.370 -10.872 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.020 1.386 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.309 0.681 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.601 2.436 -12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.935 1.811 -12.491 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.810 0.868 -9.961 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.857 -0.061 -9.447 1.00 0.00 C ATOM 1114 C CYS A 85 -9.247 0.290 -8.069 1.00 0.00 C ATOM 1115 O CYS A 85 -8.784 -0.641 -7.413 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.742 -0.385 -10.443 1.00 0.00 C ATOM 1117 SG CYS A 85 -9.009 -1.938 -11.325 1.00 0.00 S ATOM 0 H CYS A 85 -10.428 1.780 -10.212 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.465 -0.951 -9.286 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.661 0.427 -11.166 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.792 -0.435 -9.912 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.203 1.590 -7.588 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.554 1.844 -6.244 1.00 0.00 C ATOM 1124 C ASP A 86 -8.054 3.258 -5.837 1.00 0.00 C ATOM 1125 O ASP A 86 -7.720 3.436 -4.666 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.237 1.119 -6.246 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.687 0.827 -4.858 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.160 -0.142 -4.224 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.790 1.567 -4.405 1.00 0.00 O ATOM 0 H ASP A 86 -9.575 2.411 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.371 1.568 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.353 0.178 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.508 1.714 -6.796 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.849 4.231 -6.731 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.230 5.503 -6.364 1.00 0.00 C ATOM 1136 C PRO A 87 -8.235 6.548 -6.047 1.00 0.00 C ATOM 1137 O PRO A 87 -8.415 6.969 -4.903 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.457 5.879 -7.641 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.803 4.824 -8.640 1.00 0.00 C ATOM 1140 CD PRO A 87 -8.074 4.203 -8.152 1.00 0.00 C ATOM 0 HA PRO A 87 -6.612 5.423 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.746 6.868 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.383 5.908 -7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.934 5.254 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.009 4.081 -8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.954 4.776 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.213 3.190 -8.530 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.919 6.906 -7.086 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.980 7.869 -6.961 1.00 0.00 C ATOM 1150 C GLU A 88 -11.180 7.130 -6.370 1.00 0.00 C ATOM 1151 O GLU A 88 -12.278 7.658 -6.191 1.00 0.00 O ATOM 1152 CB GLU A 88 -10.302 8.456 -8.335 1.00 0.00 C ATOM 1153 CG GLU A 88 -11.080 9.762 -8.277 1.00 0.00 C ATOM 1154 CD GLU A 88 -11.446 10.282 -9.656 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -12.285 9.644 -10.325 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.898 11.327 -10.057 1.00 0.00 O ATOM 0 H GLU A 88 -8.767 6.551 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.701 8.700 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.371 8.622 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.876 7.727 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.990 9.614 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.486 10.512 -7.755 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.914 5.833 -6.232 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.827 4.782 -5.845 1.00 0.00 C ATOM 1165 C ALA A 89 -12.547 4.865 -4.514 1.00 0.00 C ATOM 1166 O ALA A 89 -12.296 5.673 -3.615 1.00 0.00 O ATOM 1167 CB ALA A 89 -11.050 3.472 -5.898 1.00 0.00 C ATOM 0 H ALA A 89 -9.976 5.470 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.649 4.877 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.705 2.649 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.682 3.308 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.207 3.521 -5.209 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.381 3.862 -4.473 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.206 3.395 -3.432 1.00 0.00 C ATOM 1175 C ALA A 90 -13.528 2.159 -2.875 1.00 0.00 C ATOM 1176 O ALA A 90 -12.334 1.951 -3.114 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.511 2.988 -4.067 1.00 0.00 C ATOM 0 H ALA A 90 -13.501 3.280 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.371 4.137 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.189 2.617 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.959 3.850 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.329 2.203 -4.801 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.287 1.301 -2.208 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.728 0.051 -1.738 1.00 0.00 C ATOM 1185 C PHE A 91 -13.674 -0.834 -2.974 1.00 0.00 C ATOM 1186 O PHE A 91 -14.308 -1.884 -3.056 1.00 0.00 O ATOM 1187 CB PHE A 91 -14.590 -0.578 -0.640 1.00 0.00 C ATOM 1188 CG PHE A 91 -16.067 -0.524 -0.918 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -16.792 0.629 -0.660 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -16.729 -1.627 -1.431 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -18.149 0.681 -0.911 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -18.086 -1.582 -1.683 1.00 0.00 C ATOM 1193 CZ PHE A 91 -18.797 -0.426 -1.423 1.00 0.00 C ATOM 0 H PHE A 91 -15.272 1.447 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.746 0.190 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -14.293 -1.619 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -14.389 -0.069 0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -16.290 1.497 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -16.178 -2.533 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.703 1.586 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.591 -2.449 -2.083 1.00 0.00 H new ATOM 0 HZ PHE A 91 -19.858 -0.388 -1.620 1.00 0.00 H new ATOM 1203 N SER A 92 -12.899 -0.343 -3.953 1.00 0.00 N ATOM 1204 CA SER A 92 -12.721 -0.996 -5.233 1.00 0.00 C ATOM 1205 C SER A 92 -11.486 -1.900 -5.206 1.00 0.00 C ATOM 1206 O SER A 92 -10.366 -1.378 -5.394 1.00 0.00 O ATOM 1207 CB SER A 92 -12.637 0.070 -6.365 1.00 0.00 C ATOM 1208 OG SER A 92 -11.793 -0.364 -7.415 1.00 0.00 O ATOM 1209 OXT SER A 92 -11.651 -3.120 -4.998 1.00 0.00 O ATOM 0 H SER A 92 -12.378 0.529 -3.865 1.00 0.00 H new ATOM 0 HA SER A 92 -13.582 -1.632 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.635 0.269 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.261 1.009 -5.957 1.00 0.00 H new ATOM 0 HG SER A 92 -12.327 -0.824 -8.095 1.00 0.00 H new TER 1215 SER A 92