USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -130:sc= 0.992 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00266 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.917 K(o=-0.92,f=-0.13) USER MOD Single : A 48 ASN : amide:sc= -2.53 K(o=-2.5,f=-7.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 59:sc= 0.553 USER MOD Single : A 55 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 1.05 (180deg=-1.25) USER MOD Single : A 63 SER OG : rot 150:sc= -1.72 USER MOD Single : A 75 SER OG : rot 132:sc= -1.25! USER MOD Single : A 92 SER OG : rot 7:sc= -3.02 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.437 -16.860 -26.814 1.00 0.00 N ATOM 2 CA ALA A 1 3.006 -17.481 -25.532 1.00 0.00 C ATOM 3 C ALA A 1 3.207 -16.526 -24.362 1.00 0.00 C ATOM 4 O ALA A 1 4.189 -16.634 -23.633 1.00 0.00 O ATOM 5 CB ALA A 1 3.769 -18.775 -25.288 1.00 0.00 C ATOM 0 H1 ALA A 1 3.289 -17.533 -27.593 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.879 -16.000 -26.988 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.446 -16.612 -26.758 1.00 0.00 H new ATOM 0 HA ALA A 1 1.942 -17.704 -25.609 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.443 -19.218 -24.347 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.574 -19.472 -26.103 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.837 -18.564 -25.239 1.00 0.00 H new ATOM 13 N VAL A 2 2.263 -15.602 -24.183 1.00 0.00 N ATOM 14 CA VAL A 2 2.329 -14.630 -23.093 1.00 0.00 C ATOM 15 C VAL A 2 2.429 -15.337 -21.748 1.00 0.00 C ATOM 16 O VAL A 2 2.162 -16.534 -21.652 1.00 0.00 O ATOM 17 CB VAL A 2 1.102 -13.704 -23.093 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.126 -12.786 -24.306 1.00 0.00 C ATOM 19 CG2 VAL A 2 -0.180 -14.523 -23.057 1.00 0.00 C ATOM 0 H VAL A 2 1.442 -15.507 -24.781 1.00 0.00 H new ATOM 0 HA VAL A 2 3.222 -14.025 -23.251 1.00 0.00 H new ATOM 0 HB VAL A 2 1.135 -13.083 -22.198 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.250 -12.138 -24.289 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.029 -12.176 -24.283 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.116 -13.386 -25.216 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.040 -13.853 -23.057 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.223 -15.170 -23.933 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.196 -15.134 -22.154 1.00 0.00 H new ATOM 29 N LEU A 3 2.859 -14.614 -20.717 1.00 0.00 N ATOM 30 CA LEU A 3 3.036 -15.208 -19.420 1.00 0.00 C ATOM 31 C LEU A 3 1.737 -15.542 -18.775 1.00 0.00 C ATOM 32 O LEU A 3 0.722 -14.893 -18.985 1.00 0.00 O ATOM 33 CB LEU A 3 3.813 -14.291 -18.473 1.00 0.00 C ATOM 34 CG LEU A 3 5.292 -14.579 -18.366 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.565 -15.983 -18.873 1.00 0.00 C ATOM 36 CD2 LEU A 3 6.094 -13.535 -19.134 1.00 0.00 C ATOM 0 H LEU A 3 3.087 -13.621 -20.766 1.00 0.00 H new ATOM 0 HA LEU A 3 3.603 -16.123 -19.594 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.683 -13.260 -18.803 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.372 -14.365 -17.479 1.00 0.00 H new ATOM 0 HG LEU A 3 5.605 -14.522 -17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.631 -16.196 -18.798 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.008 -16.702 -18.272 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.252 -16.061 -19.914 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.158 -13.757 -19.047 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.804 -13.554 -20.185 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.895 -12.546 -18.720 1.00 0.00 H new ATOM 48 N ASP A 4 1.788 -16.532 -17.932 1.00 0.00 N ATOM 49 CA ASP A 4 0.630 -16.915 -17.220 1.00 0.00 C ATOM 50 C ASP A 4 0.552 -16.218 -15.880 1.00 0.00 C ATOM 51 O ASP A 4 -0.277 -15.334 -15.666 1.00 0.00 O ATOM 52 CB ASP A 4 0.574 -18.428 -17.046 1.00 0.00 C ATOM 53 CG ASP A 4 -0.822 -18.912 -16.712 1.00 0.00 C ATOM 54 OD1 ASP A 4 -1.639 -19.057 -17.645 1.00 0.00 O ATOM 55 OD2 ASP A 4 -1.100 -19.143 -15.517 1.00 0.00 O ATOM 0 H ASP A 4 2.623 -17.081 -17.729 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.235 -16.607 -17.807 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.915 -18.911 -17.962 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.260 -18.727 -16.254 1.00 0.00 H new ATOM 60 N LEU A 5 1.406 -16.647 -14.977 1.00 0.00 N ATOM 61 CA LEU A 5 1.422 -16.100 -13.641 1.00 0.00 C ATOM 62 C LEU A 5 2.370 -14.924 -13.443 1.00 0.00 C ATOM 63 O LEU A 5 2.713 -14.217 -14.385 1.00 0.00 O ATOM 64 CB LEU A 5 1.642 -17.209 -12.598 1.00 0.00 C ATOM 65 CG LEU A 5 3.077 -17.708 -12.368 1.00 0.00 C ATOM 66 CD1 LEU A 5 4.039 -17.262 -13.475 1.00 0.00 C ATOM 67 CD2 LEU A 5 3.559 -17.282 -10.985 1.00 0.00 C ATOM 0 H LEU A 5 2.100 -17.375 -15.146 1.00 0.00 H new ATOM 0 HA LEU A 5 0.432 -15.670 -13.487 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.256 -16.851 -11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.033 -18.065 -12.887 1.00 0.00 H new ATOM 0 HG LEU A 5 3.065 -18.797 -12.410 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.039 -17.642 -13.263 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.698 -17.654 -14.433 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.066 -16.173 -13.517 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.577 -17.639 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.541 -16.195 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.904 -17.708 -10.224 1.00 0.00 H new ATOM 79 N ASP A 6 2.730 -14.709 -12.175 1.00 0.00 N ATOM 80 CA ASP A 6 3.574 -13.613 -11.755 1.00 0.00 C ATOM 81 C ASP A 6 5.063 -13.949 -11.679 1.00 0.00 C ATOM 82 O ASP A 6 5.900 -13.048 -11.605 1.00 0.00 O ATOM 83 CB ASP A 6 3.103 -13.137 -10.391 1.00 0.00 C ATOM 84 CG ASP A 6 2.136 -11.973 -10.485 1.00 0.00 C ATOM 85 OD1 ASP A 6 1.266 -11.995 -11.381 1.00 0.00 O ATOM 86 OD2 ASP A 6 2.250 -11.040 -9.664 1.00 0.00 O ATOM 0 H ASP A 6 2.432 -15.309 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 6 3.480 -12.841 -12.518 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.622 -13.963 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.966 -12.841 -9.795 1.00 0.00 H new ATOM 91 N VAL A 7 5.392 -15.222 -11.660 1.00 0.00 N ATOM 92 CA VAL A 7 6.783 -15.632 -11.550 1.00 0.00 C ATOM 93 C VAL A 7 7.476 -15.645 -12.907 1.00 0.00 C ATOM 94 O VAL A 7 8.667 -15.934 -13.006 1.00 0.00 O ATOM 95 CB VAL A 7 6.933 -17.023 -10.879 1.00 0.00 C ATOM 96 CG1 VAL A 7 6.243 -17.047 -9.523 1.00 0.00 C ATOM 97 CG2 VAL A 7 6.400 -18.142 -11.765 1.00 0.00 C ATOM 0 H VAL A 7 4.723 -15.990 -11.719 1.00 0.00 H new ATOM 0 HA VAL A 7 7.265 -14.890 -10.914 1.00 0.00 H new ATOM 0 HB VAL A 7 7.999 -17.196 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.362 -18.032 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.690 -16.294 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.182 -16.832 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.524 -19.099 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.342 -17.973 -11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.952 -18.156 -12.705 1.00 0.00 H new ATOM 107 N ARG A 8 6.717 -15.345 -13.947 1.00 0.00 N ATOM 108 CA ARG A 8 7.211 -15.334 -15.289 1.00 0.00 C ATOM 109 C ARG A 8 7.086 -13.985 -15.957 1.00 0.00 C ATOM 110 O ARG A 8 7.759 -13.657 -16.933 1.00 0.00 O ATOM 111 CB ARG A 8 6.392 -16.333 -16.026 1.00 0.00 C ATOM 112 CG ARG A 8 6.735 -17.739 -15.645 1.00 0.00 C ATOM 113 CD ARG A 8 5.774 -18.732 -16.260 1.00 0.00 C ATOM 114 NE ARG A 8 6.327 -20.084 -16.273 1.00 0.00 N ATOM 115 CZ ARG A 8 6.320 -20.882 -17.337 1.00 0.00 C ATOM 116 NH1 ARG A 8 5.780 -20.479 -18.481 1.00 0.00 N ATOM 117 NH2 ARG A 8 6.855 -22.093 -17.257 1.00 0.00 N ATOM 0 H ARG A 8 5.730 -15.101 -13.869 1.00 0.00 H new ATOM 0 HA ARG A 8 8.276 -15.566 -15.290 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.336 -16.152 -15.827 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.541 -16.202 -17.098 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.751 -17.967 -15.968 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.716 -17.838 -14.560 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.839 -18.727 -15.701 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.538 -18.426 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 8 6.745 -20.438 -15.412 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.365 -19.550 -18.550 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.780 -21.099 -19.291 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.270 -22.410 -16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.851 -22.707 -18.071 1.00 0.00 H new ATOM 131 N THR A 9 6.169 -13.277 -15.408 1.00 0.00 N ATOM 132 CA THR A 9 5.744 -11.951 -15.804 1.00 0.00 C ATOM 133 C THR A 9 6.804 -11.096 -16.496 1.00 0.00 C ATOM 134 O THR A 9 8.004 -11.354 -16.416 1.00 0.00 O ATOM 135 CB THR A 9 5.253 -11.253 -14.556 1.00 0.00 C ATOM 136 OG1 THR A 9 6.137 -11.492 -13.476 1.00 0.00 O ATOM 137 CG2 THR A 9 3.883 -11.703 -14.133 1.00 0.00 C ATOM 0 H THR A 9 5.644 -13.622 -14.604 1.00 0.00 H new ATOM 0 HA THR A 9 4.968 -12.074 -16.560 1.00 0.00 H new ATOM 0 HB THR A 9 5.210 -10.193 -14.805 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.626 -11.795 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.586 -11.166 -13.232 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.170 -11.496 -14.931 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.899 -12.774 -13.929 1.00 0.00 H new ATOM 145 N CYS A 10 6.306 -10.055 -17.169 1.00 0.00 N ATOM 146 CA CYS A 10 7.140 -9.098 -17.911 1.00 0.00 C ATOM 147 C CYS A 10 8.373 -8.652 -17.122 1.00 0.00 C ATOM 148 O CYS A 10 8.543 -8.996 -15.952 1.00 0.00 O ATOM 149 CB CYS A 10 6.325 -7.859 -18.288 1.00 0.00 C ATOM 150 SG CYS A 10 4.616 -8.191 -18.824 1.00 0.00 S ATOM 0 H CYS A 10 5.308 -9.849 -17.216 1.00 0.00 H new ATOM 0 HA CYS A 10 7.480 -9.619 -18.806 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.296 -7.187 -17.430 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.844 -7.332 -19.088 1.00 0.00 H new ATOM 155 N LEU A 11 9.225 -7.866 -17.787 1.00 0.00 N ATOM 156 CA LEU A 11 10.449 -7.343 -17.182 1.00 0.00 C ATOM 157 C LEU A 11 10.183 -6.003 -16.491 1.00 0.00 C ATOM 158 O LEU A 11 9.329 -5.228 -16.928 1.00 0.00 O ATOM 159 CB LEU A 11 11.529 -7.172 -18.255 1.00 0.00 C ATOM 160 CG LEU A 11 12.946 -7.547 -17.821 1.00 0.00 C ATOM 161 CD1 LEU A 11 13.079 -9.054 -17.670 1.00 0.00 C ATOM 162 CD2 LEU A 11 13.966 -7.017 -18.817 1.00 0.00 C ATOM 0 H LEU A 11 9.085 -7.577 -18.755 1.00 0.00 H new ATOM 0 HA LEU A 11 10.795 -8.055 -16.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.259 -7.779 -19.119 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.530 -6.133 -18.583 1.00 0.00 H new ATOM 0 HG LEU A 11 13.141 -7.088 -16.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.095 -9.300 -17.361 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.374 -9.408 -16.917 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.863 -9.536 -18.624 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.969 -7.293 -18.492 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.772 -7.446 -19.800 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.889 -5.931 -18.874 1.00 0.00 H new ATOM 174 N PRO A 12 10.891 -5.711 -15.386 1.00 0.00 N ATOM 175 CA PRO A 12 10.688 -4.473 -14.642 1.00 0.00 C ATOM 176 C PRO A 12 10.756 -3.206 -15.488 1.00 0.00 C ATOM 177 O PRO A 12 11.166 -3.222 -16.652 1.00 0.00 O ATOM 178 CB PRO A 12 11.823 -4.441 -13.626 1.00 0.00 C ATOM 179 CG PRO A 12 12.322 -5.831 -13.509 1.00 0.00 C ATOM 180 CD PRO A 12 11.913 -6.572 -14.758 1.00 0.00 C ATOM 0 HA PRO A 12 9.686 -4.476 -14.213 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.617 -3.770 -13.953 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.471 -4.073 -12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.406 -5.840 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.906 -6.313 -12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.763 -6.727 -15.423 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.510 -7.557 -14.520 1.00 0.00 H new ATOM 188 N CYS A 13 10.346 -2.109 -14.856 1.00 0.00 N ATOM 189 CA CYS A 13 10.320 -0.805 -15.466 1.00 0.00 C ATOM 190 C CYS A 13 10.591 0.259 -14.407 1.00 0.00 C ATOM 191 O CYS A 13 11.135 -0.035 -13.340 1.00 0.00 O ATOM 192 CB CYS A 13 8.962 -0.582 -16.155 1.00 0.00 C ATOM 193 SG CYS A 13 8.858 0.898 -17.211 1.00 0.00 S ATOM 0 H CYS A 13 10.019 -2.114 -13.890 1.00 0.00 H new ATOM 0 HA CYS A 13 11.098 -0.733 -16.226 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.733 -1.458 -16.762 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.191 -0.516 -15.388 1.00 0.00 H new ATOM 198 N GLY A 14 10.184 1.479 -14.691 1.00 0.00 N ATOM 199 CA GLY A 14 10.369 2.557 -13.750 1.00 0.00 C ATOM 200 C GLY A 14 11.815 2.725 -13.336 1.00 0.00 C ATOM 201 O GLY A 14 12.729 2.460 -14.117 1.00 0.00 O ATOM 0 H GLY A 14 9.725 1.745 -15.562 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.011 3.487 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.761 2.371 -12.865 1.00 0.00 H new ATOM 205 N PRO A 15 12.039 3.186 -12.107 1.00 0.00 N ATOM 206 CA PRO A 15 13.373 3.418 -11.561 1.00 0.00 C ATOM 207 C PRO A 15 14.005 2.144 -10.989 1.00 0.00 C ATOM 208 O PRO A 15 14.101 1.979 -9.773 1.00 0.00 O ATOM 209 CB PRO A 15 13.063 4.434 -10.465 1.00 0.00 C ATOM 210 CG PRO A 15 11.772 3.955 -9.923 1.00 0.00 C ATOM 211 CD PRO A 15 10.988 3.549 -11.140 1.00 0.00 C ATOM 0 HA PRO A 15 14.100 3.753 -12.301 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.840 4.453 -9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.983 5.446 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.913 3.116 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.260 4.738 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.325 2.710 -10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.365 4.364 -11.509 1.00 0.00 H new ATOM 219 N GLY A 16 14.433 1.248 -11.882 1.00 0.00 N ATOM 220 CA GLY A 16 15.048 -0.006 -11.462 1.00 0.00 C ATOM 221 C GLY A 16 14.194 -1.211 -11.814 1.00 0.00 C ATOM 222 O GLY A 16 14.564 -2.031 -12.652 1.00 0.00 O ATOM 0 H GLY A 16 14.364 1.369 -12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.025 -0.105 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.215 0.016 -10.385 1.00 0.00 H new ATOM 226 N GLY A 17 13.034 -1.288 -11.179 1.00 0.00 N ATOM 227 CA GLY A 17 12.091 -2.353 -11.420 1.00 0.00 C ATOM 228 C GLY A 17 10.827 -2.163 -10.623 1.00 0.00 C ATOM 229 O GLY A 17 10.187 -3.116 -10.175 1.00 0.00 O ATOM 0 H GLY A 17 12.726 -0.609 -10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.850 -2.393 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.546 -3.309 -11.160 1.00 0.00 H new ATOM 233 N LYS A 18 10.486 -0.904 -10.472 1.00 0.00 N ATOM 234 CA LYS A 18 9.314 -0.462 -9.756 1.00 0.00 C ATOM 235 C LYS A 18 8.058 -0.862 -10.484 1.00 0.00 C ATOM 236 O LYS A 18 6.982 -1.008 -9.903 1.00 0.00 O ATOM 237 CB LYS A 18 9.354 1.042 -9.716 1.00 0.00 C ATOM 238 CG LYS A 18 9.763 1.635 -8.412 1.00 0.00 C ATOM 239 CD LYS A 18 10.789 0.775 -7.724 1.00 0.00 C ATOM 240 CE LYS A 18 11.240 1.372 -6.402 1.00 0.00 C ATOM 241 NZ LYS A 18 10.539 0.749 -5.244 1.00 0.00 N ATOM 0 H LYS A 18 11.035 -0.135 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 18 9.309 -0.908 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.042 1.391 -10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.366 1.422 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.170 2.633 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.889 1.748 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.372 -0.217 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.652 0.648 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.316 1.237 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.052 2.446 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.874 1.183 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.514 0.900 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.739 -0.271 -5.225 1.00 0.00 H new ATOM 255 N GLY A 19 8.237 -1.072 -11.759 1.00 0.00 N ATOM 256 CA GLY A 19 7.193 -1.494 -12.625 1.00 0.00 C ATOM 257 C GLY A 19 7.705 -2.450 -13.669 1.00 0.00 C ATOM 258 O GLY A 19 8.643 -3.201 -13.437 1.00 0.00 O ATOM 0 H GLY A 19 9.135 -0.949 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.406 -1.974 -12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.746 -0.626 -13.110 1.00 0.00 H new ATOM 262 N ARG A 20 7.059 -2.397 -14.809 1.00 0.00 N ATOM 263 CA ARG A 20 7.391 -3.235 -15.930 1.00 0.00 C ATOM 264 C ARG A 20 6.687 -2.734 -17.185 1.00 0.00 C ATOM 265 O ARG A 20 5.967 -1.741 -17.133 1.00 0.00 O ATOM 266 CB ARG A 20 6.994 -4.651 -15.597 1.00 0.00 C ATOM 267 CG ARG A 20 5.519 -4.789 -15.378 1.00 0.00 C ATOM 268 CD ARG A 20 5.017 -6.121 -15.864 1.00 0.00 C ATOM 269 NE ARG A 20 4.724 -7.030 -14.762 1.00 0.00 N ATOM 270 CZ ARG A 20 3.833 -8.007 -14.827 1.00 0.00 C ATOM 271 NH1 ARG A 20 3.143 -8.210 -15.932 1.00 0.00 N ATOM 272 NH2 ARG A 20 3.629 -8.789 -13.780 1.00 0.00 N ATOM 0 H ARG A 20 6.280 -1.763 -14.984 1.00 0.00 H new ATOM 0 HA ARG A 20 8.462 -3.204 -16.128 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.303 -5.313 -16.406 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.524 -4.974 -14.701 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.295 -4.678 -14.317 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.995 -3.988 -15.900 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.117 -5.973 -16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.763 -6.573 -16.518 1.00 0.00 H new ATOM 0 HE ARG A 20 5.236 -6.906 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.294 -7.612 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.458 -8.965 -15.974 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.158 -8.640 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.942 -9.541 -13.831 1.00 0.00 H new ATOM 286 N CYS A 21 6.873 -3.436 -18.292 1.00 0.00 N ATOM 287 CA CYS A 21 6.238 -3.079 -19.557 1.00 0.00 C ATOM 288 C CYS A 21 5.060 -4.005 -19.811 1.00 0.00 C ATOM 289 O CYS A 21 5.185 -5.216 -19.641 1.00 0.00 O ATOM 290 CB CYS A 21 7.240 -3.213 -20.688 1.00 0.00 C ATOM 291 SG CYS A 21 7.940 -1.635 -21.266 1.00 0.00 S ATOM 0 H CYS A 21 7.465 -4.265 -18.342 1.00 0.00 H new ATOM 0 HA CYS A 21 5.887 -2.048 -19.507 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.054 -3.859 -20.360 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.756 -3.711 -21.528 1.00 0.00 H new ATOM 296 N PHE A 22 3.901 -3.457 -20.173 1.00 0.00 N ATOM 297 CA PHE A 22 2.716 -4.286 -20.382 1.00 0.00 C ATOM 298 C PHE A 22 2.405 -4.523 -21.864 1.00 0.00 C ATOM 299 O PHE A 22 1.484 -5.275 -22.187 1.00 0.00 O ATOM 300 CB PHE A 22 1.519 -3.633 -19.685 1.00 0.00 C ATOM 301 CG PHE A 22 1.548 -3.784 -18.196 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.736 -3.653 -17.493 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.390 -4.071 -17.494 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.757 -3.801 -16.125 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.414 -4.222 -16.121 1.00 0.00 C ATOM 306 CZ PHE A 22 1.601 -4.086 -15.439 1.00 0.00 C ATOM 0 H PHE A 22 3.758 -2.459 -20.326 1.00 0.00 H new ATOM 0 HA PHE A 22 2.919 -5.266 -19.951 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.495 -2.572 -19.936 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.599 -4.072 -20.070 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.651 -3.433 -18.023 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.544 -4.178 -18.026 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.687 -3.693 -15.587 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.496 -4.446 -15.585 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.624 -4.203 -14.366 1.00 0.00 H new ATOM 316 N GLY A 23 3.188 -3.927 -22.763 1.00 0.00 N ATOM 317 CA GLY A 23 2.941 -4.170 -24.176 1.00 0.00 C ATOM 318 C GLY A 23 3.378 -3.084 -25.146 1.00 0.00 C ATOM 319 O GLY A 23 4.436 -3.205 -25.762 1.00 0.00 O ATOM 0 H GLY A 23 3.964 -3.301 -22.549 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.444 -5.096 -24.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.872 -4.335 -24.310 1.00 0.00 H new ATOM 323 N PRO A 24 2.555 -2.039 -25.370 1.00 0.00 N ATOM 324 CA PRO A 24 2.861 -0.999 -26.339 1.00 0.00 C ATOM 325 C PRO A 24 3.450 0.252 -25.718 1.00 0.00 C ATOM 326 O PRO A 24 2.718 1.159 -25.319 1.00 0.00 O ATOM 327 CB PRO A 24 1.476 -0.718 -26.904 1.00 0.00 C ATOM 328 CG PRO A 24 0.553 -0.877 -25.740 1.00 0.00 C ATOM 329 CD PRO A 24 1.234 -1.810 -24.756 1.00 0.00 C ATOM 0 HA PRO A 24 3.615 -1.303 -27.065 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.415 0.286 -27.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.226 -1.413 -27.705 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.347 0.088 -25.277 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.405 -1.287 -26.061 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.322 -1.359 -23.768 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.680 -2.741 -24.633 1.00 0.00 H new ATOM 337 N SER A 25 4.776 0.305 -25.628 1.00 0.00 N ATOM 338 CA SER A 25 5.441 1.458 -25.041 1.00 0.00 C ATOM 339 C SER A 25 4.896 1.722 -23.649 1.00 0.00 C ATOM 340 O SER A 25 5.042 2.822 -23.115 1.00 0.00 O ATOM 341 CB SER A 25 5.190 2.699 -25.902 1.00 0.00 C ATOM 342 OG SER A 25 6.279 3.602 -25.828 1.00 0.00 O ATOM 0 H SER A 25 5.404 -0.431 -25.951 1.00 0.00 H new ATOM 0 HA SER A 25 6.509 1.249 -24.988 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.032 2.400 -26.938 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.278 3.196 -25.571 1.00 0.00 H new ATOM 0 HG SER A 25 6.094 4.385 -26.388 1.00 0.00 H new ATOM 348 N ILE A 26 4.224 0.732 -23.080 1.00 0.00 N ATOM 349 CA ILE A 26 3.611 0.907 -21.787 1.00 0.00 C ATOM 350 C ILE A 26 4.420 0.328 -20.653 1.00 0.00 C ATOM 351 O ILE A 26 5.294 -0.519 -20.840 1.00 0.00 O ATOM 352 CB ILE A 26 2.197 0.311 -21.768 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.288 1.162 -20.916 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.182 -1.110 -21.248 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.165 0.973 -21.288 1.00 0.00 C ATOM 0 H ILE A 26 4.094 -0.191 -23.495 1.00 0.00 H new ATOM 0 HA ILE A 26 3.563 1.984 -21.627 1.00 0.00 H new ATOM 0 HB ILE A 26 1.842 0.296 -22.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.431 0.908 -19.866 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.559 2.211 -21.030 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.160 -1.489 -21.253 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.805 -1.737 -21.886 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.571 -1.129 -20.230 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.788 1.602 -20.653 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.313 1.252 -22.331 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.443 -0.072 -21.149 1.00 0.00 H new ATOM 367 N CYS A 27 4.101 0.820 -19.473 1.00 0.00 N ATOM 368 CA CYS A 27 4.749 0.422 -18.271 1.00 0.00 C ATOM 369 C CYS A 27 3.818 0.627 -17.080 1.00 0.00 C ATOM 370 O CYS A 27 3.021 1.565 -17.050 1.00 0.00 O ATOM 371 CB CYS A 27 6.001 1.247 -18.127 1.00 0.00 C ATOM 372 SG CYS A 27 7.516 0.374 -18.627 1.00 0.00 S ATOM 0 H CYS A 27 3.370 1.518 -19.336 1.00 0.00 H new ATOM 0 HA CYS A 27 5.007 -0.636 -18.305 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.900 2.152 -18.726 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.100 1.562 -17.088 1.00 0.00 H new ATOM 377 N CYS A 28 3.923 -0.255 -16.107 1.00 0.00 N ATOM 378 CA CYS A 28 3.103 -0.192 -14.921 1.00 0.00 C ATOM 379 C CYS A 28 3.920 -0.588 -13.713 1.00 0.00 C ATOM 380 O CYS A 28 4.371 -1.731 -13.609 1.00 0.00 O ATOM 381 CB CYS A 28 1.899 -1.118 -15.065 1.00 0.00 C ATOM 382 SG CYS A 28 0.394 -0.535 -14.233 1.00 0.00 S ATOM 0 H CYS A 28 4.580 -1.035 -16.119 1.00 0.00 H new ATOM 0 HA CYS A 28 2.745 0.829 -14.790 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.684 -1.251 -16.125 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.162 -2.098 -14.668 1.00 0.00 H new ATOM 387 N GLY A 29 4.103 0.339 -12.794 1.00 0.00 N ATOM 388 CA GLY A 29 4.846 0.045 -11.614 1.00 0.00 C ATOM 389 C GLY A 29 3.935 -0.132 -10.420 1.00 0.00 C ATOM 390 O GLY A 29 2.755 0.213 -10.493 1.00 0.00 O ATOM 0 H GLY A 29 3.745 1.292 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.430 -0.863 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.554 0.850 -11.418 1.00 0.00 H new ATOM 394 N ASP A 30 4.456 -0.660 -9.318 1.00 0.00 N ATOM 395 CA ASP A 30 3.636 -0.856 -8.137 1.00 0.00 C ATOM 396 C ASP A 30 3.360 0.504 -7.510 1.00 0.00 C ATOM 397 O ASP A 30 2.327 1.117 -7.775 1.00 0.00 O ATOM 398 CB ASP A 30 4.333 -1.790 -7.140 1.00 0.00 C ATOM 399 CG ASP A 30 3.411 -2.875 -6.621 1.00 0.00 C ATOM 400 OD1 ASP A 30 3.004 -3.743 -7.423 1.00 0.00 O ATOM 401 OD2 ASP A 30 3.096 -2.858 -5.413 1.00 0.00 O ATOM 0 H ASP A 30 5.428 -0.955 -9.221 1.00 0.00 H new ATOM 0 HA ASP A 30 2.693 -1.327 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.196 -2.250 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.709 -1.205 -6.301 1.00 0.00 H new ATOM 406 N GLU A 31 4.321 1.006 -6.747 1.00 0.00 N ATOM 407 CA GLU A 31 4.224 2.326 -6.157 1.00 0.00 C ATOM 408 C GLU A 31 4.441 3.371 -7.248 1.00 0.00 C ATOM 409 O GLU A 31 4.604 4.562 -6.984 1.00 0.00 O ATOM 410 CB GLU A 31 5.313 2.483 -5.099 1.00 0.00 C ATOM 411 CG GLU A 31 6.725 2.430 -5.682 1.00 0.00 C ATOM 412 CD GLU A 31 7.510 3.703 -5.427 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.308 4.321 -4.360 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.324 4.082 -6.294 1.00 0.00 O ATOM 0 H GLU A 31 5.184 0.510 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 31 3.243 2.457 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.175 3.432 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.204 1.695 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.261 1.585 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.664 2.254 -6.756 1.00 0.00 H new ATOM 421 N LEU A 32 4.542 2.865 -8.466 1.00 0.00 N ATOM 422 CA LEU A 32 4.854 3.633 -9.639 1.00 0.00 C ATOM 423 C LEU A 32 3.637 3.989 -10.489 1.00 0.00 C ATOM 424 O LEU A 32 3.676 4.923 -11.288 1.00 0.00 O ATOM 425 CB LEU A 32 5.776 2.729 -10.407 1.00 0.00 C ATOM 426 CG LEU A 32 7.124 3.241 -10.824 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.582 2.402 -11.989 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.117 4.711 -11.185 1.00 0.00 C ATOM 0 H LEU A 32 4.403 1.874 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 32 5.282 4.599 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.937 1.835 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.251 2.415 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 32 7.811 3.157 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.562 2.745 -12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.648 1.358 -11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.868 2.495 -12.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.121 5.019 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.430 4.879 -12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.795 5.296 -10.323 1.00 0.00 H new ATOM 440 N GLY A 33 2.570 3.237 -10.318 1.00 0.00 N ATOM 441 CA GLY A 33 1.369 3.481 -11.081 1.00 0.00 C ATOM 442 C GLY A 33 1.415 2.844 -12.448 1.00 0.00 C ATOM 443 O GLY A 33 2.132 1.869 -12.667 1.00 0.00 O ATOM 0 H GLY A 33 2.511 2.458 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.509 3.096 -10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.223 4.556 -11.189 1.00 0.00 H new ATOM 447 N CYS A 34 0.652 3.388 -13.379 1.00 0.00 N ATOM 448 CA CYS A 34 0.611 2.844 -14.730 1.00 0.00 C ATOM 449 C CYS A 34 0.841 3.919 -15.788 1.00 0.00 C ATOM 450 O CYS A 34 -0.017 4.772 -16.016 1.00 0.00 O ATOM 451 CB CYS A 34 -0.731 2.164 -14.972 1.00 0.00 C ATOM 452 SG CYS A 34 -0.597 0.490 -15.671 1.00 0.00 S ATOM 0 H CYS A 34 0.055 4.201 -13.229 1.00 0.00 H new ATOM 0 HA CYS A 34 1.419 2.117 -14.816 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.275 2.110 -14.029 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.323 2.782 -15.647 1.00 0.00 H new ATOM 457 N PHE A 35 2.003 3.863 -16.439 1.00 0.00 N ATOM 458 CA PHE A 35 2.352 4.831 -17.486 1.00 0.00 C ATOM 459 C PHE A 35 2.238 4.214 -18.874 1.00 0.00 C ATOM 460 O PHE A 35 2.277 2.992 -19.032 1.00 0.00 O ATOM 461 CB PHE A 35 3.795 5.333 -17.340 1.00 0.00 C ATOM 462 CG PHE A 35 4.304 5.445 -15.938 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.517 4.315 -15.171 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.584 6.686 -15.393 1.00 0.00 C ATOM 465 CE1 PHE A 35 4.992 4.421 -13.884 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.059 6.797 -14.107 1.00 0.00 C ATOM 467 CZ PHE A 35 5.261 5.666 -13.354 1.00 0.00 C ATOM 0 H PHE A 35 2.720 3.159 -16.262 1.00 0.00 H new ATOM 0 HA PHE A 35 1.649 5.656 -17.371 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.452 4.661 -17.893 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.869 6.312 -17.813 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.309 3.340 -15.586 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.428 7.577 -15.984 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.154 3.533 -13.291 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.272 7.770 -13.691 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.632 5.752 -12.343 1.00 0.00 H new ATOM 477 N VAL A 36 2.148 5.079 -19.881 1.00 0.00 N ATOM 478 CA VAL A 36 2.090 4.644 -21.268 1.00 0.00 C ATOM 479 C VAL A 36 2.901 5.579 -22.138 1.00 0.00 C ATOM 480 O VAL A 36 2.562 6.750 -22.306 1.00 0.00 O ATOM 481 CB VAL A 36 0.667 4.569 -21.834 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.671 3.742 -23.119 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.294 4.003 -20.803 1.00 0.00 C ATOM 0 H VAL A 36 2.114 6.091 -19.758 1.00 0.00 H new ATOM 0 HA VAL A 36 2.500 3.634 -21.279 1.00 0.00 H new ATOM 0 HB VAL A 36 0.321 5.574 -22.075 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.341 3.689 -23.521 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.328 4.211 -23.851 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.029 2.735 -22.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.297 3.959 -21.226 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.025 3.000 -20.520 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.300 4.644 -19.921 1.00 0.00 H new ATOM 493 N GLY A 37 3.983 5.049 -22.679 1.00 0.00 N ATOM 494 CA GLY A 37 4.855 5.843 -23.527 1.00 0.00 C ATOM 495 C GLY A 37 5.500 7.006 -22.783 1.00 0.00 C ATOM 496 O GLY A 37 6.228 7.801 -23.379 1.00 0.00 O ATOM 0 H GLY A 37 4.278 4.081 -22.549 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.635 5.203 -23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.282 6.229 -24.370 1.00 0.00 H new ATOM 500 N THR A 38 5.229 7.112 -21.482 1.00 0.00 N ATOM 501 CA THR A 38 5.784 8.182 -20.659 1.00 0.00 C ATOM 502 C THR A 38 7.259 7.916 -20.357 1.00 0.00 C ATOM 503 O THR A 38 7.789 6.863 -20.704 1.00 0.00 O ATOM 504 CB THR A 38 4.993 8.290 -19.347 1.00 0.00 C ATOM 505 OG1 THR A 38 3.599 8.312 -19.602 1.00 0.00 O ATOM 506 CG2 THR A 38 5.322 9.520 -18.525 1.00 0.00 C ATOM 0 H THR A 38 4.625 6.465 -20.975 1.00 0.00 H new ATOM 0 HA THR A 38 5.706 9.121 -21.207 1.00 0.00 H new ATOM 0 HB THR A 38 5.286 7.410 -18.775 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.112 8.379 -18.754 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.721 9.521 -17.615 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.380 9.509 -18.261 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.102 10.416 -19.106 1.00 0.00 H new ATOM 514 N ALA A 39 7.907 8.861 -19.679 1.00 0.00 N ATOM 515 CA ALA A 39 9.306 8.718 -19.303 1.00 0.00 C ATOM 516 C ALA A 39 9.508 7.465 -18.455 1.00 0.00 C ATOM 517 O ALA A 39 10.342 6.620 -18.761 1.00 0.00 O ATOM 518 CB ALA A 39 9.775 9.954 -18.550 1.00 0.00 C ATOM 0 H ALA A 39 7.480 9.737 -19.379 1.00 0.00 H new ATOM 0 HA ALA A 39 9.902 8.615 -20.210 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.823 9.836 -18.274 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.664 10.832 -19.187 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.174 10.081 -17.649 1.00 0.00 H new ATOM 524 N GLU A 40 8.726 7.351 -17.392 1.00 0.00 N ATOM 525 CA GLU A 40 8.792 6.203 -16.498 1.00 0.00 C ATOM 526 C GLU A 40 8.330 4.916 -17.197 1.00 0.00 C ATOM 527 O GLU A 40 8.098 3.899 -16.542 1.00 0.00 O ATOM 528 CB GLU A 40 7.939 6.464 -15.261 1.00 0.00 C ATOM 529 CG GLU A 40 8.750 6.820 -14.025 1.00 0.00 C ATOM 530 CD GLU A 40 9.258 8.248 -14.052 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.431 8.795 -15.161 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.482 8.819 -12.964 1.00 0.00 O ATOM 0 H GLU A 40 8.031 8.048 -17.125 1.00 0.00 H new ATOM 0 HA GLU A 40 9.832 6.064 -16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.243 7.275 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.340 5.578 -15.049 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.135 6.674 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.597 6.139 -13.942 1.00 0.00 H new ATOM 539 N ALA A 41 8.144 4.981 -18.520 1.00 0.00 N ATOM 540 CA ALA A 41 7.657 3.839 -19.287 1.00 0.00 C ATOM 541 C ALA A 41 8.467 3.576 -20.553 1.00 0.00 C ATOM 542 O ALA A 41 8.184 2.637 -21.299 1.00 0.00 O ATOM 543 CB ALA A 41 6.243 4.108 -19.691 1.00 0.00 C ATOM 0 H ALA A 41 8.325 5.815 -19.078 1.00 0.00 H new ATOM 0 HA ALA A 41 7.747 2.960 -18.648 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.862 3.264 -20.266 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.630 4.246 -18.800 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.204 5.010 -20.302 1.00 0.00 H new ATOM 549 N LEU A 42 9.486 4.376 -20.769 1.00 0.00 N ATOM 550 CA LEU A 42 10.364 4.221 -21.914 1.00 0.00 C ATOM 551 C LEU A 42 11.112 2.890 -21.866 1.00 0.00 C ATOM 552 O LEU A 42 11.728 2.476 -22.851 1.00 0.00 O ATOM 553 CB LEU A 42 11.372 5.374 -21.955 1.00 0.00 C ATOM 554 CG LEU A 42 12.099 5.702 -20.631 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.884 4.636 -19.557 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.587 5.893 -20.882 1.00 0.00 C ATOM 0 H LEU A 42 9.733 5.154 -20.157 1.00 0.00 H new ATOM 0 HA LEU A 42 9.749 4.235 -22.814 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.124 5.143 -22.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.851 6.271 -22.289 1.00 0.00 H new ATOM 0 HG LEU A 42 11.665 6.628 -20.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.418 4.920 -18.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.820 4.549 -19.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.261 3.678 -19.915 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.088 6.124 -19.942 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.006 4.978 -21.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.735 6.714 -21.583 1.00 0.00 H new ATOM 568 N ARG A 43 11.064 2.235 -20.711 1.00 0.00 N ATOM 569 CA ARG A 43 11.741 0.964 -20.496 1.00 0.00 C ATOM 570 C ARG A 43 11.444 -0.057 -21.580 1.00 0.00 C ATOM 571 O ARG A 43 12.140 -1.060 -21.692 1.00 0.00 O ATOM 572 CB ARG A 43 11.334 0.399 -19.154 1.00 0.00 C ATOM 573 CG ARG A 43 12.493 0.166 -18.199 1.00 0.00 C ATOM 574 CD ARG A 43 13.400 1.384 -18.108 1.00 0.00 C ATOM 575 NE ARG A 43 14.317 1.306 -16.971 1.00 0.00 N ATOM 576 CZ ARG A 43 15.609 1.625 -17.032 1.00 0.00 C ATOM 577 NH1 ARG A 43 16.145 2.050 -18.171 1.00 0.00 N ATOM 578 NH2 ARG A 43 16.370 1.523 -15.951 1.00 0.00 N ATOM 0 H ARG A 43 10.552 2.573 -19.896 1.00 0.00 H new ATOM 0 HA ARG A 43 12.812 1.164 -20.526 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.623 1.080 -18.686 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.813 -0.545 -19.313 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.106 -0.074 -17.209 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.072 -0.695 -18.533 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.974 1.477 -19.030 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.790 2.283 -18.020 1.00 0.00 H new ATOM 0 HE ARG A 43 13.944 0.988 -16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.566 2.134 -19.007 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.135 2.292 -18.210 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.966 1.200 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.359 1.767 -15.999 1.00 0.00 H new ATOM 592 N CYS A 44 10.412 0.182 -22.368 1.00 0.00 N ATOM 593 CA CYS A 44 10.055 -0.747 -23.420 1.00 0.00 C ATOM 594 C CYS A 44 11.096 -0.739 -24.527 1.00 0.00 C ATOM 595 O CYS A 44 11.133 -1.641 -25.363 1.00 0.00 O ATOM 596 CB CYS A 44 8.667 -0.450 -23.947 1.00 0.00 C ATOM 597 SG CYS A 44 7.384 -1.517 -23.219 1.00 0.00 S ATOM 0 H CYS A 44 9.812 1.004 -22.300 1.00 0.00 H new ATOM 0 HA CYS A 44 10.037 -1.753 -23.002 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.423 0.593 -23.743 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.662 -0.573 -25.030 1.00 0.00 H new ATOM 602 N GLN A 45 11.990 0.247 -24.486 1.00 0.00 N ATOM 603 CA GLN A 45 13.078 0.318 -25.434 1.00 0.00 C ATOM 604 C GLN A 45 13.966 -0.909 -25.219 1.00 0.00 C ATOM 605 O GLN A 45 14.736 -1.324 -26.087 1.00 0.00 O ATOM 606 CB GLN A 45 13.875 1.598 -25.213 1.00 0.00 C ATOM 607 CG GLN A 45 13.636 2.659 -26.275 1.00 0.00 C ATOM 608 CD GLN A 45 14.019 4.050 -25.806 1.00 0.00 C ATOM 609 OE1 GLN A 45 14.711 4.785 -26.510 1.00 0.00 O ATOM 610 NE2 GLN A 45 13.568 4.419 -24.612 1.00 0.00 N ATOM 0 H GLN A 45 11.974 1.004 -23.802 1.00 0.00 H new ATOM 0 HA GLN A 45 12.698 0.330 -26.456 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.620 2.010 -24.237 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.937 1.354 -25.188 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.209 2.410 -27.168 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.584 2.652 -26.560 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.997 3.777 -24.062 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.793 5.344 -24.246 1.00 0.00 H new ATOM 619 N GLU A 46 13.786 -1.488 -24.036 1.00 0.00 N ATOM 620 CA GLU A 46 14.474 -2.677 -23.617 1.00 0.00 C ATOM 621 C GLU A 46 13.826 -3.896 -24.262 1.00 0.00 C ATOM 622 O GLU A 46 14.414 -4.978 -24.321 1.00 0.00 O ATOM 623 CB GLU A 46 14.368 -2.770 -22.105 1.00 0.00 C ATOM 624 CG GLU A 46 15.374 -1.903 -21.376 1.00 0.00 C ATOM 625 CD GLU A 46 15.322 -2.086 -19.874 1.00 0.00 C ATOM 626 OE1 GLU A 46 15.277 -3.249 -19.420 1.00 0.00 O ATOM 627 OE2 GLU A 46 15.324 -1.069 -19.150 1.00 0.00 O ATOM 0 H GLU A 46 13.140 -1.125 -23.335 1.00 0.00 H new ATOM 0 HA GLU A 46 15.521 -2.641 -23.919 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.362 -2.481 -21.800 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.507 -3.808 -21.802 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.377 -2.139 -21.732 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.188 -0.856 -21.617 1.00 0.00 H new ATOM 634 N GLU A 47 12.599 -3.705 -24.749 1.00 0.00 N ATOM 635 CA GLU A 47 11.852 -4.778 -25.392 1.00 0.00 C ATOM 636 C GLU A 47 12.346 -5.030 -26.816 1.00 0.00 C ATOM 637 O GLU A 47 11.887 -5.955 -27.483 1.00 0.00 O ATOM 638 CB GLU A 47 10.360 -4.435 -25.416 1.00 0.00 C ATOM 639 CG GLU A 47 9.486 -5.544 -25.980 1.00 0.00 C ATOM 640 CD GLU A 47 8.818 -6.367 -24.898 1.00 0.00 C ATOM 641 OE1 GLU A 47 9.531 -6.843 -23.990 1.00 0.00 O ATOM 642 OE2 GLU A 47 7.583 -6.537 -24.960 1.00 0.00 O ATOM 0 H GLU A 47 12.104 -2.814 -24.708 1.00 0.00 H new ATOM 0 HA GLU A 47 12.010 -5.688 -24.813 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.032 -4.207 -24.402 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.213 -3.532 -26.009 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.722 -5.108 -26.623 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.094 -6.198 -26.605 1.00 0.00 H new ATOM 649 N ASN A 48 13.285 -4.214 -27.285 1.00 0.00 N ATOM 650 CA ASN A 48 13.816 -4.375 -28.623 1.00 0.00 C ATOM 651 C ASN A 48 15.028 -5.302 -28.638 1.00 0.00 C ATOM 652 O ASN A 48 15.686 -5.451 -29.668 1.00 0.00 O ATOM 653 CB ASN A 48 14.179 -3.016 -29.230 1.00 0.00 C ATOM 654 CG ASN A 48 15.348 -2.347 -28.534 1.00 0.00 C ATOM 655 OD1 ASN A 48 16.009 -2.943 -27.684 1.00 0.00 O ATOM 656 ND2 ASN A 48 15.606 -1.093 -28.893 1.00 0.00 N ATOM 0 H ASN A 48 13.689 -3.440 -26.757 1.00 0.00 H new ATOM 0 HA ASN A 48 13.036 -4.834 -29.231 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.419 -3.148 -30.285 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.310 -2.359 -29.181 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.378 -0.587 -28.459 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.032 -0.637 -29.602 1.00 0.00 H new ATOM 663 N TYR A 49 15.328 -5.920 -27.496 1.00 0.00 N ATOM 664 CA TYR A 49 16.479 -6.820 -27.402 1.00 0.00 C ATOM 665 C TYR A 49 16.054 -8.288 -27.326 1.00 0.00 C ATOM 666 O TYR A 49 16.275 -9.050 -28.267 1.00 0.00 O ATOM 667 CB TYR A 49 17.330 -6.454 -26.185 1.00 0.00 C ATOM 668 CG TYR A 49 18.047 -5.134 -26.328 1.00 0.00 C ATOM 669 CD1 TYR A 49 18.800 -4.855 -27.462 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.969 -4.167 -25.337 1.00 0.00 C ATOM 671 CE1 TYR A 49 19.453 -3.648 -27.603 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.620 -2.956 -25.472 1.00 0.00 C ATOM 673 CZ TYR A 49 19.360 -2.701 -26.606 1.00 0.00 C ATOM 674 OH TYR A 49 20.011 -1.497 -26.745 1.00 0.00 O ATOM 0 H TYR A 49 14.797 -5.816 -26.631 1.00 0.00 H new ATOM 0 HA TYR A 49 17.069 -6.697 -28.310 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.691 -6.418 -25.302 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.065 -7.241 -26.015 1.00 0.00 H new ATOM 0 HD1 TYR A 49 18.875 -5.595 -28.245 1.00 0.00 H new ATOM 0 HD2 TYR A 49 17.391 -4.364 -24.446 1.00 0.00 H new ATOM 0 HE1 TYR A 49 20.034 -3.446 -28.491 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.549 -2.212 -24.692 1.00 0.00 H new ATOM 0 HH TYR A 49 19.843 -0.941 -25.955 1.00 0.00 H new ATOM 684 N LEU A 50 15.459 -8.688 -26.203 1.00 0.00 N ATOM 685 CA LEU A 50 15.032 -10.077 -26.026 1.00 0.00 C ATOM 686 C LEU A 50 13.546 -10.175 -25.674 1.00 0.00 C ATOM 687 O LEU A 50 13.181 -10.183 -24.498 1.00 0.00 O ATOM 688 CB LEU A 50 15.864 -10.745 -24.927 1.00 0.00 C ATOM 689 CG LEU A 50 17.375 -10.514 -25.017 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.739 -9.138 -24.485 1.00 0.00 C ATOM 691 CD2 LEU A 50 18.130 -11.596 -24.258 1.00 0.00 C ATOM 0 H LEU A 50 15.263 -8.078 -25.409 1.00 0.00 H new ATOM 0 HA LEU A 50 15.188 -10.592 -26.974 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.515 -10.383 -23.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 15.675 -11.818 -24.953 1.00 0.00 H new ATOM 0 HG LEU A 50 17.665 -10.565 -26.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 18.817 -8.993 -24.558 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.230 -8.374 -25.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 17.432 -9.058 -23.442 1.00 0.00 H new ATOM 0 HD21 LEU A 50 19.202 -11.413 -24.334 1.00 0.00 H new ATOM 0 HD22 LEU A 50 17.833 -11.580 -23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 50 17.897 -12.571 -24.686 1.00 0.00 H new ATOM 703 N PRO A 51 12.665 -10.263 -26.689 1.00 0.00 N ATOM 704 CA PRO A 51 11.212 -10.373 -26.478 1.00 0.00 C ATOM 705 C PRO A 51 10.847 -11.468 -25.475 1.00 0.00 C ATOM 706 O PRO A 51 11.692 -12.278 -25.097 1.00 0.00 O ATOM 707 CB PRO A 51 10.697 -10.731 -27.870 1.00 0.00 C ATOM 708 CG PRO A 51 11.656 -10.045 -28.767 1.00 0.00 C ATOM 709 CD PRO A 51 12.999 -10.263 -28.128 1.00 0.00 C ATOM 0 HA PRO A 51 10.784 -9.461 -26.062 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.692 -11.809 -28.033 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.677 -10.380 -28.026 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.624 -10.462 -29.774 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.427 -8.983 -28.854 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.451 -11.204 -28.441 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.704 -9.471 -28.382 1.00 0.00 H new ATOM 717 N SER A 52 9.584 -11.489 -25.051 1.00 0.00 N ATOM 718 CA SER A 52 9.116 -12.491 -24.093 1.00 0.00 C ATOM 719 C SER A 52 7.630 -12.310 -23.785 1.00 0.00 C ATOM 720 O SER A 52 7.032 -11.295 -24.146 1.00 0.00 O ATOM 721 CB SER A 52 9.929 -12.402 -22.798 1.00 0.00 C ATOM 722 OG SER A 52 10.873 -13.456 -22.716 1.00 0.00 O ATOM 0 H SER A 52 8.869 -10.827 -25.354 1.00 0.00 H new ATOM 0 HA SER A 52 9.255 -13.475 -24.541 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.445 -11.443 -22.754 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.258 -12.443 -21.940 1.00 0.00 H new ATOM 0 HG SER A 52 11.481 -13.411 -23.483 1.00 0.00 H new ATOM 728 N PRO A 53 7.012 -13.292 -23.103 1.00 0.00 N ATOM 729 CA PRO A 53 5.589 -13.224 -22.739 1.00 0.00 C ATOM 730 C PRO A 53 5.321 -12.107 -21.733 1.00 0.00 C ATOM 731 O PRO A 53 6.262 -11.563 -21.155 1.00 0.00 O ATOM 732 CB PRO A 53 5.316 -14.596 -22.125 1.00 0.00 C ATOM 733 CG PRO A 53 6.642 -15.110 -21.691 1.00 0.00 C ATOM 734 CD PRO A 53 7.650 -14.536 -22.630 1.00 0.00 C ATOM 0 HA PRO A 53 4.946 -13.001 -23.591 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.630 -14.519 -21.281 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.854 -15.266 -22.851 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.856 -14.813 -20.664 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.663 -16.199 -21.718 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.597 -14.336 -22.129 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.863 -15.216 -23.455 1.00 0.00 H new ATOM 742 N CYS A 54 4.051 -11.722 -21.551 1.00 0.00 N ATOM 743 CA CYS A 54 3.740 -10.627 -20.643 1.00 0.00 C ATOM 744 C CYS A 54 2.475 -10.814 -19.778 1.00 0.00 C ATOM 745 O CYS A 54 1.744 -9.850 -19.552 1.00 0.00 O ATOM 746 CB CYS A 54 3.625 -9.329 -21.441 1.00 0.00 C ATOM 747 SG CYS A 54 4.694 -7.986 -20.838 1.00 0.00 S ATOM 0 H CYS A 54 3.245 -12.145 -22.011 1.00 0.00 H new ATOM 0 HA CYS A 54 4.566 -10.598 -19.933 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.870 -9.533 -22.483 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.589 -8.992 -21.418 1.00 0.00 H new ATOM 752 N GLN A 55 2.236 -12.011 -19.257 1.00 0.00 N ATOM 753 CA GLN A 55 1.097 -12.239 -18.388 1.00 0.00 C ATOM 754 C GLN A 55 -0.214 -11.787 -19.032 1.00 0.00 C ATOM 755 O GLN A 55 -0.319 -11.717 -20.255 1.00 0.00 O ATOM 756 CB GLN A 55 1.348 -11.547 -17.036 1.00 0.00 C ATOM 757 CG GLN A 55 0.908 -10.092 -16.976 1.00 0.00 C ATOM 758 CD GLN A 55 0.228 -9.741 -15.662 1.00 0.00 C ATOM 759 OE1 GLN A 55 0.561 -8.740 -15.027 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.724 -10.567 -15.245 1.00 0.00 N ATOM 0 H GLN A 55 2.816 -12.834 -19.422 1.00 0.00 H new ATOM 0 HA GLN A 55 0.989 -13.310 -18.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.827 -12.103 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.413 -11.600 -16.808 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.776 -9.448 -17.115 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.225 -9.889 -17.800 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.969 -11.386 -15.802 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.210 -10.383 -14.368 1.00 0.00 H new ATOM 769 N SER A 56 -1.207 -11.479 -18.204 1.00 0.00 N ATOM 770 CA SER A 56 -2.496 -11.030 -18.683 1.00 0.00 C ATOM 771 C SER A 56 -3.039 -9.903 -17.809 1.00 0.00 C ATOM 772 O SER A 56 -2.325 -9.357 -16.969 1.00 0.00 O ATOM 773 CB SER A 56 -3.489 -12.193 -18.728 1.00 0.00 C ATOM 774 OG SER A 56 -4.280 -12.140 -19.901 1.00 0.00 O ATOM 0 H SER A 56 -1.135 -11.535 -17.188 1.00 0.00 H new ATOM 0 HA SER A 56 -2.364 -10.646 -19.695 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.948 -13.139 -18.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.133 -12.160 -17.849 1.00 0.00 H new ATOM 0 HG SER A 56 -4.906 -12.894 -19.908 1.00 0.00 H new ATOM 780 N GLY A 57 -4.306 -9.554 -18.018 1.00 0.00 N ATOM 781 CA GLY A 57 -4.921 -8.483 -17.250 1.00 0.00 C ATOM 782 C GLY A 57 -5.703 -8.988 -16.053 1.00 0.00 C ATOM 783 O GLY A 57 -6.297 -10.064 -16.095 1.00 0.00 O ATOM 0 H GLY A 57 -4.918 -9.993 -18.705 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.146 -7.797 -16.908 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.587 -7.914 -17.899 1.00 0.00 H new ATOM 787 N GLN A 58 -5.686 -8.208 -14.978 1.00 0.00 N ATOM 788 CA GLN A 58 -6.375 -8.564 -13.750 1.00 0.00 C ATOM 789 C GLN A 58 -7.693 -7.800 -13.574 1.00 0.00 C ATOM 790 O GLN A 58 -8.067 -6.989 -14.414 1.00 0.00 O ATOM 791 CB GLN A 58 -5.461 -8.340 -12.557 1.00 0.00 C ATOM 792 CG GLN A 58 -4.926 -9.638 -11.985 1.00 0.00 C ATOM 793 CD GLN A 58 -5.599 -10.025 -10.682 1.00 0.00 C ATOM 794 OE1 GLN A 58 -6.701 -10.575 -10.677 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.939 -9.737 -9.567 1.00 0.00 N ATOM 0 H GLN A 58 -5.195 -7.315 -14.936 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.632 -9.621 -13.815 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.626 -7.707 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.006 -7.802 -11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.067 -10.437 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.853 -9.543 -11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.028 -9.281 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.343 -9.972 -8.660 1.00 0.00 H new ATOM 804 N LYS A 59 -8.433 -8.189 -12.529 1.00 0.00 N ATOM 805 CA LYS A 59 -9.795 -7.687 -12.258 1.00 0.00 C ATOM 806 C LYS A 59 -10.131 -6.439 -13.083 1.00 0.00 C ATOM 807 O LYS A 59 -9.866 -5.297 -12.696 1.00 0.00 O ATOM 808 CB LYS A 59 -9.913 -7.340 -10.767 1.00 0.00 C ATOM 809 CG LYS A 59 -8.782 -6.454 -10.250 1.00 0.00 C ATOM 810 CD LYS A 59 -8.409 -6.797 -8.812 1.00 0.00 C ATOM 811 CE LYS A 59 -8.346 -5.557 -7.933 1.00 0.00 C ATOM 812 NZ LYS A 59 -9.604 -4.765 -8.003 1.00 0.00 N ATOM 0 H LYS A 59 -8.106 -8.866 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.497 -8.472 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.864 -6.837 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.932 -8.264 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.907 -6.570 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.083 -5.408 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.140 -7.495 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.443 -7.302 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.160 -5.853 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.507 -4.934 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.408 -3.839 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.303 -5.275 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.981 -4.627 -7.044 1.00 0.00 H new ATOM 826 N PRO A 60 -10.662 -6.708 -14.303 1.00 0.00 N ATOM 827 CA PRO A 60 -11.003 -5.696 -15.293 1.00 0.00 C ATOM 828 C PRO A 60 -12.014 -4.635 -14.867 1.00 0.00 C ATOM 829 O PRO A 60 -12.716 -4.761 -13.865 1.00 0.00 O ATOM 830 CB PRO A 60 -11.618 -6.472 -16.463 1.00 0.00 C ATOM 831 CG PRO A 60 -11.252 -7.893 -16.270 1.00 0.00 C ATOM 832 CD PRO A 60 -10.865 -8.069 -14.828 1.00 0.00 C ATOM 0 HA PRO A 60 -10.091 -5.139 -15.508 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.701 -6.350 -16.481 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.239 -6.101 -17.415 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.090 -8.542 -16.524 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.425 -8.168 -16.925 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.645 -8.591 -14.274 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.956 -8.664 -14.736 1.00 0.00 H new ATOM 840 N CYS A 61 -12.075 -3.603 -15.704 1.00 0.00 N ATOM 841 CA CYS A 61 -12.994 -2.498 -15.512 1.00 0.00 C ATOM 842 C CYS A 61 -13.263 -1.737 -16.791 1.00 0.00 C ATOM 843 O CYS A 61 -12.534 -1.832 -17.783 1.00 0.00 O ATOM 844 CB CYS A 61 -12.513 -1.533 -14.444 1.00 0.00 C ATOM 845 SG CYS A 61 -10.728 -1.215 -14.496 1.00 0.00 S ATOM 0 H CYS A 61 -11.487 -3.514 -16.533 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.927 -2.953 -15.181 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.044 -0.588 -14.555 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.773 -1.931 -13.463 1.00 0.00 H new ATOM 850 N GLY A 62 -14.356 -1.004 -16.753 1.00 0.00 N ATOM 851 CA GLY A 62 -14.841 -0.231 -17.869 1.00 0.00 C ATOM 852 C GLY A 62 -14.266 1.160 -17.975 1.00 0.00 C ATOM 853 O GLY A 62 -14.841 2.029 -18.628 1.00 0.00 O ATOM 0 H GLY A 62 -14.944 -0.930 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.620 -0.771 -18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.926 -0.156 -17.796 1.00 0.00 H new ATOM 857 N SER A 63 -13.092 1.353 -17.395 1.00 0.00 N ATOM 858 CA SER A 63 -12.402 2.609 -17.494 1.00 0.00 C ATOM 859 C SER A 63 -11.226 2.473 -18.467 1.00 0.00 C ATOM 860 O SER A 63 -10.162 3.064 -18.276 1.00 0.00 O ATOM 861 CB SER A 63 -11.937 3.088 -16.122 1.00 0.00 C ATOM 862 OG SER A 63 -11.655 4.475 -16.127 1.00 0.00 O ATOM 0 H SER A 63 -12.602 0.644 -16.849 1.00 0.00 H new ATOM 0 HA SER A 63 -13.089 3.362 -17.881 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.707 2.874 -15.380 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.046 2.535 -15.825 1.00 0.00 H new ATOM 0 HG SER A 63 -11.829 4.847 -15.237 1.00 0.00 H new ATOM 868 N GLY A 64 -11.452 1.691 -19.526 1.00 0.00 N ATOM 869 CA GLY A 64 -10.448 1.477 -20.554 1.00 0.00 C ATOM 870 C GLY A 64 -9.572 0.240 -20.357 1.00 0.00 C ATOM 871 O GLY A 64 -8.586 0.060 -21.071 1.00 0.00 O ATOM 0 H GLY A 64 -12.329 1.196 -19.688 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.949 1.398 -21.519 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.804 2.355 -20.600 1.00 0.00 H new ATOM 875 N GLY A 65 -9.910 -0.585 -19.378 1.00 0.00 N ATOM 876 CA GLY A 65 -9.120 -1.759 -19.097 1.00 0.00 C ATOM 877 C GLY A 65 -9.258 -2.316 -17.709 1.00 0.00 C ATOM 878 O GLY A 65 -10.341 -2.341 -17.133 1.00 0.00 O ATOM 0 H GLY A 65 -10.721 -0.459 -18.772 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.392 -2.537 -19.810 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.071 -1.519 -19.271 1.00 0.00 H new ATOM 882 N ARG A 66 -8.168 -2.881 -17.230 1.00 0.00 N ATOM 883 CA ARG A 66 -8.172 -3.561 -15.963 1.00 0.00 C ATOM 884 C ARG A 66 -7.752 -2.651 -14.847 1.00 0.00 C ATOM 885 O ARG A 66 -7.498 -1.475 -15.073 1.00 0.00 O ATOM 886 CB ARG A 66 -7.246 -4.779 -16.008 1.00 0.00 C ATOM 887 CG ARG A 66 -7.373 -5.610 -17.276 1.00 0.00 C ATOM 888 CD ARG A 66 -8.726 -6.289 -17.361 1.00 0.00 C ATOM 889 NE ARG A 66 -8.679 -7.514 -18.156 1.00 0.00 N ATOM 890 CZ ARG A 66 -9.507 -7.783 -19.163 1.00 0.00 C ATOM 891 NH1 ARG A 66 -10.452 -6.918 -19.514 1.00 0.00 N ATOM 892 NH2 ARG A 66 -9.392 -8.927 -19.825 1.00 0.00 N ATOM 0 H ARG A 66 -7.266 -2.879 -17.707 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.194 -3.888 -15.771 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.214 -4.441 -15.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.457 -5.414 -15.148 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.230 -4.971 -18.147 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.585 -6.362 -17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.077 -6.523 -16.356 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.449 -5.601 -17.799 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.967 -8.207 -17.925 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.549 -6.036 -19.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.081 -7.135 -20.287 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.670 -9.598 -19.562 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.025 -9.135 -20.597 1.00 0.00 H new ATOM 906 N CYS A 67 -7.611 -3.200 -13.651 1.00 0.00 N ATOM 907 CA CYS A 67 -7.157 -2.416 -12.529 1.00 0.00 C ATOM 908 C CYS A 67 -5.650 -2.187 -12.613 1.00 0.00 C ATOM 909 O CYS A 67 -4.915 -2.433 -11.656 1.00 0.00 O ATOM 910 CB CYS A 67 -7.539 -3.096 -11.223 1.00 0.00 C ATOM 911 SG CYS A 67 -7.113 -2.144 -9.745 1.00 0.00 S ATOM 0 H CYS A 67 -7.804 -4.179 -13.440 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.645 -1.442 -12.559 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.613 -3.285 -11.224 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.045 -4.066 -11.173 1.00 0.00 H new ATOM 916 N ALA A 68 -5.211 -1.755 -13.788 1.00 0.00 N ATOM 917 CA ALA A 68 -3.800 -1.512 -14.094 1.00 0.00 C ATOM 918 C ALA A 68 -2.888 -1.283 -12.887 1.00 0.00 C ATOM 919 O ALA A 68 -1.937 -2.044 -12.695 1.00 0.00 O ATOM 920 CB ALA A 68 -3.676 -0.347 -15.034 1.00 0.00 C ATOM 0 H ALA A 68 -5.834 -1.559 -14.572 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.452 -2.439 -14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.624 -0.171 -15.258 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.212 -0.566 -15.957 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.102 0.542 -14.569 1.00 0.00 H new ATOM 926 N ALA A 69 -3.104 -0.209 -12.110 1.00 0.00 N ATOM 927 CA ALA A 69 -2.231 0.117 -10.974 1.00 0.00 C ATOM 928 C ALA A 69 -2.902 1.126 -10.026 1.00 0.00 C ATOM 929 O ALA A 69 -3.673 1.974 -10.466 1.00 0.00 O ATOM 930 CB ALA A 69 -0.939 0.731 -11.472 1.00 0.00 C ATOM 0 H ALA A 69 -3.874 0.446 -12.248 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.035 -0.811 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.298 0.969 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.428 0.023 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.160 1.643 -12.027 1.00 0.00 H new ATOM 936 N ALA A 70 -2.619 0.984 -8.722 1.00 0.00 N ATOM 937 CA ALA A 70 -3.217 1.848 -7.671 1.00 0.00 C ATOM 938 C ALA A 70 -4.405 2.590 -8.209 1.00 0.00 C ATOM 939 O ALA A 70 -4.351 3.804 -8.400 1.00 0.00 O ATOM 940 CB ALA A 70 -2.262 2.887 -7.125 1.00 0.00 C ATOM 0 H ALA A 70 -1.978 0.278 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.492 1.165 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.767 3.480 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.397 2.391 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.933 3.539 -7.934 1.00 0.00 H new ATOM 946 N GLY A 71 -5.430 1.857 -8.536 1.00 0.00 N ATOM 947 CA GLY A 71 -6.567 2.474 -9.123 1.00 0.00 C ATOM 948 C GLY A 71 -6.171 3.142 -10.416 1.00 0.00 C ATOM 949 O GLY A 71 -5.998 4.349 -10.497 1.00 0.00 O ATOM 0 H GLY A 71 -5.496 0.847 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.341 1.730 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.989 3.209 -8.437 1.00 0.00 H new ATOM 953 N ILE A 72 -6.072 2.320 -11.425 1.00 0.00 N ATOM 954 CA ILE A 72 -5.744 2.728 -12.761 1.00 0.00 C ATOM 955 C ILE A 72 -6.335 1.708 -13.670 1.00 0.00 C ATOM 956 O ILE A 72 -5.829 0.595 -13.789 1.00 0.00 O ATOM 957 CB ILE A 72 -4.221 2.855 -13.019 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.726 4.182 -12.506 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.851 2.703 -14.494 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.707 5.280 -13.551 1.00 0.00 C ATOM 0 H ILE A 72 -6.223 1.315 -11.335 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.146 3.726 -12.934 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.739 2.037 -12.483 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.357 4.497 -11.675 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.718 4.054 -12.110 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.772 2.802 -14.610 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.166 1.722 -14.849 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.351 3.477 -15.076 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.338 6.203 -13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.052 4.989 -14.373 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.716 5.439 -13.930 1.00 0.00 H new ATOM 972 N CYS A 73 -7.419 2.067 -14.285 1.00 0.00 N ATOM 973 CA CYS A 73 -8.068 1.173 -15.164 1.00 0.00 C ATOM 974 C CYS A 73 -7.394 1.388 -16.496 1.00 0.00 C ATOM 975 O CYS A 73 -7.598 2.407 -17.162 1.00 0.00 O ATOM 976 CB CYS A 73 -9.555 1.435 -15.151 1.00 0.00 C ATOM 977 SG CYS A 73 -10.537 0.163 -15.970 1.00 0.00 S ATOM 0 H CYS A 73 -7.867 2.978 -14.187 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.981 0.123 -14.885 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.888 1.525 -14.117 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.748 2.394 -15.633 1.00 0.00 H new ATOM 982 N CYS A 74 -6.458 0.497 -16.795 1.00 0.00 N ATOM 983 CA CYS A 74 -5.621 0.673 -17.955 1.00 0.00 C ATOM 984 C CYS A 74 -5.348 -0.587 -18.745 1.00 0.00 C ATOM 985 O CYS A 74 -5.200 -1.688 -18.203 1.00 0.00 O ATOM 986 CB CYS A 74 -4.275 1.227 -17.482 1.00 0.00 C ATOM 987 SG CYS A 74 -2.877 1.007 -18.648 1.00 0.00 S ATOM 0 H CYS A 74 -6.267 -0.344 -16.251 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.162 1.343 -18.623 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.391 2.291 -17.278 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.016 0.748 -16.538 1.00 0.00 H new ATOM 992 N SER A 75 -5.236 -0.370 -20.037 1.00 0.00 N ATOM 993 CA SER A 75 -4.906 -1.433 -20.962 1.00 0.00 C ATOM 994 C SER A 75 -3.639 -1.016 -21.729 1.00 0.00 C ATOM 995 O SER A 75 -2.761 -0.400 -21.127 1.00 0.00 O ATOM 996 CB SER A 75 -6.110 -1.643 -21.886 1.00 0.00 C ATOM 997 OG SER A 75 -7.263 -2.003 -21.145 1.00 0.00 O ATOM 0 H SER A 75 -5.370 0.542 -20.474 1.00 0.00 H new ATOM 0 HA SER A 75 -4.699 -2.378 -20.459 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.305 -0.730 -22.448 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.883 -2.422 -22.613 1.00 0.00 H new ATOM 0 HG SER A 75 -8.021 -1.452 -21.432 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.510 -1.236 -23.058 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.352 -0.760 -23.787 1.00 0.00 C ATOM 1005 C PRO A 76 -2.660 0.615 -24.360 1.00 0.00 C ATOM 1006 O PRO A 76 -1.778 1.438 -24.612 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.191 -1.794 -24.904 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.507 -2.503 -25.017 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.434 -1.917 -23.979 1.00 0.00 C ATOM 0 HA PRO A 76 -1.452 -0.659 -23.181 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.928 -1.311 -25.845 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.390 -2.496 -24.671 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.924 -2.378 -26.016 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.380 -3.573 -24.856 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.148 -1.222 -24.421 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.013 -2.689 -23.472 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.954 0.808 -24.593 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.554 2.023 -25.183 1.00 0.00 C ATOM 1019 C ASP A 77 -4.281 3.206 -24.314 1.00 0.00 C ATOM 1020 O ASP A 77 -3.735 4.210 -24.771 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.063 1.840 -25.363 1.00 0.00 C ATOM 1022 CG ASP A 77 -6.527 2.196 -26.761 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.784 1.909 -27.724 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.632 2.763 -26.894 1.00 0.00 O ATOM 0 H ASP A 77 -4.652 0.098 -24.370 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.104 2.192 -26.161 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.329 0.805 -25.148 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.590 2.461 -24.639 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.549 3.052 -23.012 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.196 4.093 -22.069 1.00 0.00 C ATOM 1031 C GLY A 78 -4.467 3.712 -20.635 1.00 0.00 C ATOM 1032 O GLY A 78 -5.322 2.862 -20.370 1.00 0.00 O ATOM 0 H GLY A 78 -4.999 2.232 -22.604 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.139 4.332 -22.181 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.755 4.997 -22.310 1.00 0.00 H new ATOM 1036 N CYS A 79 -3.806 4.368 -19.695 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.066 4.112 -18.298 1.00 0.00 C ATOM 1038 C CYS A 79 -4.632 5.320 -17.647 1.00 0.00 C ATOM 1039 O CYS A 79 -4.243 6.449 -17.939 1.00 0.00 O ATOM 1040 CB CYS A 79 -2.838 3.750 -17.488 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.692 2.621 -18.314 1.00 0.00 S ATOM 0 H CYS A 79 -3.093 5.074 -19.877 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.752 3.265 -18.304 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.304 4.666 -17.234 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.159 3.298 -16.550 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.546 5.078 -16.760 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.170 6.157 -16.044 1.00 0.00 C ATOM 1048 C GLU A 80 -6.598 5.721 -14.656 1.00 0.00 C ATOM 1049 O GLU A 80 -7.122 4.626 -14.476 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.359 6.706 -16.832 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.582 5.801 -16.821 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.463 6.032 -15.610 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.048 7.130 -15.503 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -9.568 5.115 -14.769 1.00 0.00 O ATOM 0 H GLU A 80 -5.879 4.147 -16.512 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.435 6.954 -15.929 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.635 7.678 -16.422 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.052 6.871 -17.865 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.164 5.970 -17.727 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.260 4.760 -16.839 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.366 6.589 -13.677 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.714 6.296 -12.304 1.00 0.00 C ATOM 1063 C GLU A 81 -8.158 5.872 -12.242 1.00 0.00 C ATOM 1064 O GLU A 81 -9.055 6.657 -12.543 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.490 7.514 -11.408 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.059 8.791 -11.969 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.435 10.031 -11.360 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -6.207 10.039 -10.132 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -6.175 10.995 -12.111 1.00 0.00 O ATOM 0 H GLU A 81 -5.936 7.503 -13.817 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.073 5.491 -11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.939 7.324 -10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.420 7.643 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.908 8.807 -13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.135 8.810 -11.797 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.385 4.627 -11.848 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.725 4.124 -11.759 1.00 0.00 C ATOM 1078 C ASP A 82 -10.219 4.101 -10.320 1.00 0.00 C ATOM 1079 O ASP A 82 -9.878 3.215 -9.542 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.868 2.749 -12.435 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.939 1.678 -11.909 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.419 1.854 -10.806 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.760 0.648 -12.594 1.00 0.00 O ATOM 0 H ASP A 82 -7.657 3.961 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.365 4.814 -12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.896 2.407 -12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.693 2.867 -13.504 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.058 5.087 -9.969 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.661 5.201 -8.650 1.00 0.00 C ATOM 1090 C PRO A 83 -12.393 3.918 -8.325 1.00 0.00 C ATOM 1091 O PRO A 83 -12.667 3.581 -7.171 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.634 6.378 -8.815 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.024 7.173 -9.893 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.498 6.155 -10.851 1.00 0.00 C ATOM 0 HA PRO A 83 -10.949 5.363 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.635 6.038 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.728 6.954 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.756 7.826 -10.369 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.226 7.812 -9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.267 5.816 -11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.678 6.549 -11.451 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.624 3.186 -9.396 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.225 1.894 -9.372 1.00 0.00 C ATOM 1104 C ALA A 84 -12.287 0.932 -8.680 1.00 0.00 C ATOM 1105 O ALA A 84 -12.672 -0.161 -8.258 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.422 1.474 -10.808 1.00 0.00 C ATOM 0 H ALA A 84 -12.384 3.499 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.176 1.903 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.882 0.486 -10.838 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.070 2.191 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.457 1.441 -11.313 1.00 0.00 H new ATOM 1112 N CYS A 85 -11.037 1.368 -8.578 1.00 0.00 N ATOM 1113 CA CYS A 85 -10.019 0.569 -7.954 1.00 0.00 C ATOM 1114 C CYS A 85 -9.281 1.184 -6.746 1.00 0.00 C ATOM 1115 O CYS A 85 -8.843 0.398 -5.907 1.00 0.00 O ATOM 1116 CB CYS A 85 -9.020 0.053 -8.965 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.936 -1.757 -8.978 1.00 0.00 S ATOM 0 H CYS A 85 -10.716 2.272 -8.923 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.595 -0.252 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.293 0.410 -9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.034 0.460 -8.740 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.087 2.526 -6.603 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.313 2.965 -5.397 1.00 0.00 C ATOM 1124 C ASP A 86 -7.807 4.424 -5.237 1.00 0.00 C ATOM 1125 O ASP A 86 -7.491 4.810 -4.111 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.012 2.182 -5.386 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.383 2.105 -4.009 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.133 2.032 -3.014 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.135 2.118 -3.924 1.00 0.00 O ATOM 0 H ASP A 86 -9.415 3.259 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.061 2.818 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.198 1.172 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.308 2.647 -6.076 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.556 5.205 -6.293 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.915 6.508 -6.162 1.00 0.00 C ATOM 1136 C PRO A 87 -7.855 7.653 -6.260 1.00 0.00 C ATOM 1137 O PRO A 87 -8.136 8.353 -5.287 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.971 6.515 -7.367 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.372 5.337 -8.185 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.713 4.901 -7.686 1.00 0.00 C ATOM 0 HA PRO A 87 -6.443 6.630 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.066 7.440 -7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.930 6.440 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.419 5.598 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.643 4.533 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.532 5.454 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.903 3.843 -7.865 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.369 7.814 -7.451 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.335 8.859 -7.707 1.00 0.00 C ATOM 1150 C GLU A 88 -10.660 8.365 -7.150 1.00 0.00 C ATOM 1151 O GLU A 88 -11.742 8.913 -7.384 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.444 9.051 -9.218 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.063 10.372 -9.631 1.00 0.00 C ATOM 1154 CD GLU A 88 -9.314 11.028 -10.772 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -9.565 10.657 -11.938 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -8.473 11.908 -10.499 1.00 0.00 O ATOM 0 H GLU A 88 -8.138 7.238 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.052 9.807 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.449 8.976 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.038 8.238 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.099 10.208 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.079 11.046 -8.775 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.501 7.202 -6.529 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.537 6.348 -5.996 1.00 0.00 C ATOM 1165 C ALA A 89 -12.373 6.810 -4.825 1.00 0.00 C ATOM 1166 O ALA A 89 -12.162 7.821 -4.155 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.893 5.017 -5.640 1.00 0.00 C ATOM 0 H ALA A 89 -9.572 6.809 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.274 6.321 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.648 4.345 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.456 4.573 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.112 5.178 -4.897 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.298 5.896 -4.626 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.287 5.810 -3.600 1.00 0.00 C ATOM 1175 C ALA A 90 -13.752 4.851 -2.565 1.00 0.00 C ATOM 1176 O ALA A 90 -12.541 4.625 -2.514 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.529 5.223 -4.231 1.00 0.00 C ATOM 0 H ALA A 90 -13.374 5.104 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.513 6.776 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.314 5.139 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.868 5.872 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.302 4.235 -4.630 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.617 4.216 -1.793 1.00 0.00 N ATOM 1184 CA PHE A 91 -14.143 3.214 -0.854 1.00 0.00 C ATOM 1185 C PHE A 91 -13.847 1.967 -1.684 1.00 0.00 C ATOM 1186 O PHE A 91 -14.343 0.873 -1.414 1.00 0.00 O ATOM 1187 CB PHE A 91 -15.192 2.923 0.224 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.666 3.069 1.624 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -13.695 2.207 2.107 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -15.142 4.071 2.456 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -13.208 2.341 3.394 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -14.659 4.209 3.743 1.00 0.00 C ATOM 1193 CZ PHE A 91 -13.690 3.343 4.213 1.00 0.00 C ATOM 0 H PHE A 91 -15.625 4.370 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.254 3.559 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -16.037 3.598 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -15.569 1.909 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -13.314 1.422 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -15.899 4.751 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -12.451 1.662 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -15.038 4.993 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 91 -13.311 3.450 5.219 1.00 0.00 H new ATOM 1203 N SER A 92 -13.025 2.179 -2.718 1.00 0.00 N ATOM 1204 CA SER A 92 -12.621 1.144 -3.650 1.00 0.00 C ATOM 1205 C SER A 92 -11.235 0.610 -3.302 1.00 0.00 C ATOM 1206 O SER A 92 -10.661 1.073 -2.294 1.00 0.00 O ATOM 1207 CB SER A 92 -12.633 1.709 -5.079 1.00 0.00 C ATOM 1208 OG SER A 92 -11.889 0.892 -5.947 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.735 -0.266 -4.040 1.00 0.00 O ATOM 0 H SER A 92 -12.621 3.092 -2.926 1.00 0.00 H new ATOM 0 HA SER A 92 -13.326 0.315 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.660 1.785 -5.436 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.220 2.718 -5.079 1.00 0.00 H new ATOM 0 HG SER A 92 -11.619 0.076 -5.477 1.00 0.00 H new TER 1215 SER A 92