USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.0632 USER MOD Set 2.1: A 1 MET CE :methyl -122:sc= -0.987 (180deg=0) USER MOD Set 2.2: A 66 ASN : amide:sc= -3.59! C(o=-4.6!,f=-24!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -0.0187 (180deg=-1.15) USER MOD Single : A 7 ASN : amide:sc=-0.00889 K(o=-0.0089,f=0.66) USER MOD Single : A 10 THR OG1 : rot -66:sc= 0.861 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00617) USER MOD Single : A 25 TYR OH : rot -133:sc= -1.12! USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0227) USER MOD Single : A 30 SER OG : rot 4:sc= 1.12 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.584 10.633 -0.939 1.00 0.00 N ATOM 2 CA MET A 1 12.142 10.552 -0.564 1.00 0.00 C ATOM 3 C MET A 1 11.330 9.953 -1.714 1.00 0.00 C ATOM 4 O MET A 1 11.028 10.618 -2.684 1.00 0.00 O ATOM 5 CB MET A 1 11.715 11.998 -0.308 1.00 0.00 C ATOM 6 CG MET A 1 11.602 12.238 1.199 1.00 0.00 C ATOM 7 SD MET A 1 10.494 13.637 1.505 1.00 0.00 S ATOM 8 CE MET A 1 9.557 12.889 2.861 1.00 0.00 C ATOM 0 H1 MET A 1 14.125 11.041 -0.150 1.00 0.00 H new ATOM 0 H2 MET A 1 13.942 9.679 -1.148 1.00 0.00 H new ATOM 0 H3 MET A 1 13.691 11.235 -1.780 1.00 0.00 H new ATOM 0 HA MET A 1 11.979 9.918 0.307 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.441 12.685 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.758 12.197 -0.791 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.222 11.344 1.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.586 12.441 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.499 12.865 2.602 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.912 11.873 3.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.695 13.478 3.767 1.00 0.00 H new ATOM 20 N LYS A 2 10.975 8.702 -1.612 1.00 0.00 N ATOM 21 CA LYS A 2 10.183 8.058 -2.699 1.00 0.00 C ATOM 22 C LYS A 2 9.385 6.876 -2.142 1.00 0.00 C ATOM 23 O LYS A 2 9.318 6.669 -0.946 1.00 0.00 O ATOM 24 CB LYS A 2 11.222 7.571 -3.711 1.00 0.00 C ATOM 25 CG LYS A 2 11.380 8.606 -4.826 1.00 0.00 C ATOM 26 CD LYS A 2 12.859 8.734 -5.197 1.00 0.00 C ATOM 27 CE LYS A 2 13.177 10.188 -5.550 1.00 0.00 C ATOM 28 NZ LYS A 2 14.425 10.123 -6.361 1.00 0.00 N ATOM 0 H LYS A 2 11.199 8.097 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 2 9.465 8.744 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.179 7.408 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.914 6.614 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.800 8.307 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.991 9.570 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.482 8.407 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.089 8.085 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.363 10.644 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.320 10.790 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.707 11.084 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.184 9.690 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.257 9.549 -7.212 1.00 0.00 H new ATOM 42 N CYS A 3 8.781 6.097 -2.998 1.00 0.00 N ATOM 43 CA CYS A 3 7.991 4.928 -2.516 1.00 0.00 C ATOM 44 C CYS A 3 8.151 3.751 -3.479 1.00 0.00 C ATOM 45 O CYS A 3 7.755 3.815 -4.626 1.00 0.00 O ATOM 46 CB CYS A 3 6.540 5.410 -2.495 1.00 0.00 C ATOM 47 SG CYS A 3 5.541 4.288 -1.485 1.00 0.00 S ATOM 0 H CYS A 3 8.800 6.220 -4.010 1.00 0.00 H new ATOM 0 HA CYS A 3 8.319 4.584 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.488 6.421 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.145 5.451 -3.510 1.00 0.00 H new ATOM 52 N LYS A 4 8.726 2.674 -3.021 1.00 0.00 N ATOM 53 CA LYS A 4 8.913 1.490 -3.907 1.00 0.00 C ATOM 54 C LYS A 4 7.608 0.697 -4.009 1.00 0.00 C ATOM 55 O LYS A 4 6.999 0.356 -3.015 1.00 0.00 O ATOM 56 CB LYS A 4 9.997 0.653 -3.226 1.00 0.00 C ATOM 57 CG LYS A 4 10.397 -0.508 -4.140 1.00 0.00 C ATOM 58 CD LYS A 4 11.271 -1.493 -3.360 1.00 0.00 C ATOM 59 CE LYS A 4 12.469 -1.903 -4.217 1.00 0.00 C ATOM 60 NZ LYS A 4 11.917 -2.864 -5.213 1.00 0.00 N ATOM 0 H LYS A 4 9.075 2.562 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 4 9.194 1.773 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.866 1.273 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.631 0.270 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.507 -1.013 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.939 -0.132 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.614 -1.035 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.689 -2.373 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.918 -1.039 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.248 -2.366 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.418 -3.772 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.904 -3.010 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.044 -2.481 -6.172 1.00 0.00 H new ATOM 74 N ILE A 5 7.171 0.403 -5.204 1.00 0.00 N ATOM 75 CA ILE A 5 5.903 -0.366 -5.365 1.00 0.00 C ATOM 76 C ILE A 5 6.180 -1.717 -6.032 1.00 0.00 C ATOM 77 O ILE A 5 6.865 -1.799 -7.034 1.00 0.00 O ATOM 78 CB ILE A 5 5.021 0.505 -6.260 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.955 1.923 -5.686 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.611 -0.085 -6.317 1.00 0.00 C ATOM 81 CD1 ILE A 5 5.124 2.938 -6.818 1.00 0.00 C ATOM 0 H ILE A 5 7.636 0.661 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 5 5.427 -0.579 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 5 5.443 0.537 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.001 2.079 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.737 2.061 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.982 0.536 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.655 -1.095 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.189 -0.117 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.077 3.948 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.089 2.786 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.326 2.804 -7.549 1.00 0.00 H new ATOM 93 N CYS A 6 5.647 -2.775 -5.482 1.00 0.00 N ATOM 94 CA CYS A 6 5.874 -4.122 -6.079 1.00 0.00 C ATOM 95 C CYS A 6 5.044 -5.174 -5.335 1.00 0.00 C ATOM 96 O CYS A 6 5.498 -6.273 -5.087 1.00 0.00 O ATOM 97 CB CYS A 6 7.368 -4.390 -5.898 1.00 0.00 C ATOM 98 SG CYS A 6 7.820 -4.149 -4.162 1.00 0.00 S ATOM 0 H CYS A 6 5.064 -2.764 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 6 5.578 -4.166 -7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.606 -5.407 -6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.948 -3.719 -6.532 1.00 0.00 H new ATOM 103 N ASN A 7 3.831 -4.848 -4.981 1.00 0.00 N ATOM 104 CA ASN A 7 2.974 -5.831 -4.254 1.00 0.00 C ATOM 105 C ASN A 7 3.794 -6.570 -3.193 1.00 0.00 C ATOM 106 O ASN A 7 4.407 -7.584 -3.463 1.00 0.00 O ATOM 107 CB ASN A 7 2.491 -6.805 -5.329 1.00 0.00 C ATOM 108 CG ASN A 7 1.632 -6.058 -6.350 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.622 -5.478 -6.004 1.00 0.00 O ATOM 110 ND2 ASN A 7 1.994 -6.047 -7.604 1.00 0.00 N ATOM 0 H ASN A 7 3.395 -3.944 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 7 2.145 -5.349 -3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.344 -7.267 -5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.914 -7.609 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.429 -5.551 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.842 -6.534 -7.894 1.00 0.00 H new ATOM 117 N PHE A 8 3.811 -6.073 -1.986 1.00 0.00 N ATOM 118 CA PHE A 8 4.591 -6.750 -0.911 1.00 0.00 C ATOM 119 C PHE A 8 4.344 -8.261 -0.948 1.00 0.00 C ATOM 120 O PHE A 8 3.418 -8.733 -1.579 1.00 0.00 O ATOM 121 CB PHE A 8 4.069 -6.150 0.395 1.00 0.00 C ATOM 122 CG PHE A 8 5.161 -5.338 1.050 1.00 0.00 C ATOM 123 CD1 PHE A 8 5.356 -4.002 0.683 1.00 0.00 C ATOM 124 CD2 PHE A 8 5.980 -5.924 2.023 1.00 0.00 C ATOM 125 CE1 PHE A 8 6.369 -3.250 1.291 1.00 0.00 C ATOM 126 CE2 PHE A 8 6.992 -5.172 2.631 1.00 0.00 C ATOM 127 CZ PHE A 8 7.187 -3.834 2.265 1.00 0.00 C ATOM 0 H PHE A 8 3.319 -5.228 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 8 5.665 -6.603 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.202 -5.520 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.740 -6.944 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.726 -3.551 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.831 -6.956 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.519 -2.219 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.623 -5.624 3.383 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.968 -3.254 2.734 1.00 0.00 H new ATOM 137 N ASP A 9 5.168 -9.024 -0.278 1.00 0.00 N ATOM 138 CA ASP A 9 4.986 -10.508 -0.272 1.00 0.00 C ATOM 139 C ASP A 9 5.347 -11.094 -1.642 1.00 0.00 C ATOM 140 O ASP A 9 5.226 -12.281 -1.871 1.00 0.00 O ATOM 141 CB ASP A 9 3.504 -10.734 0.034 1.00 0.00 C ATOM 142 CG ASP A 9 3.362 -11.827 1.094 1.00 0.00 C ATOM 143 OD1 ASP A 9 4.137 -11.816 2.036 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.482 -12.659 0.945 1.00 0.00 O ATOM 0 H ASP A 9 5.961 -8.684 0.266 1.00 0.00 H new ATOM 0 HA ASP A 9 5.629 -10.994 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.050 -9.809 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.974 -11.022 -0.874 1.00 0.00 H new ATOM 149 N THR A 10 5.787 -10.268 -2.553 1.00 0.00 N ATOM 150 CA THR A 10 6.156 -10.769 -3.908 1.00 0.00 C ATOM 151 C THR A 10 6.525 -9.592 -4.814 1.00 0.00 C ATOM 152 O THR A 10 5.789 -9.233 -5.712 1.00 0.00 O ATOM 153 CB THR A 10 4.902 -11.474 -4.423 1.00 0.00 C ATOM 154 OG1 THR A 10 5.028 -11.703 -5.820 1.00 0.00 O ATOM 155 CG2 THR A 10 3.675 -10.600 -4.156 1.00 0.00 C ATOM 0 H THR A 10 5.907 -9.264 -2.416 1.00 0.00 H new ATOM 0 HA THR A 10 7.016 -11.438 -3.887 1.00 0.00 H new ATOM 0 HB THR A 10 4.785 -12.427 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.029 -10.845 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.782 -11.105 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.578 -10.426 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.790 -9.645 -4.669 1.00 0.00 H new ATOM 163 N CYS A 11 7.654 -8.983 -4.580 1.00 0.00 N ATOM 164 CA CYS A 11 8.066 -7.823 -5.420 1.00 0.00 C ATOM 165 C CYS A 11 8.886 -8.293 -6.625 1.00 0.00 C ATOM 166 O CYS A 11 10.005 -8.746 -6.490 1.00 0.00 O ATOM 167 CB CYS A 11 8.917 -6.951 -4.498 1.00 0.00 C ATOM 168 SG CYS A 11 7.836 -6.015 -3.389 1.00 0.00 S ATOM 0 H CYS A 11 8.310 -9.239 -3.842 1.00 0.00 H new ATOM 0 HA CYS A 11 7.208 -7.282 -5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.600 -7.573 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.530 -6.269 -5.088 1.00 0.00 H new ATOM 173 N ARG A 12 8.335 -8.181 -7.803 1.00 0.00 N ATOM 174 CA ARG A 12 9.080 -8.612 -9.020 1.00 0.00 C ATOM 175 C ARG A 12 9.234 -7.427 -9.979 1.00 0.00 C ATOM 176 O ARG A 12 9.998 -7.473 -10.921 1.00 0.00 O ATOM 177 CB ARG A 12 8.216 -9.704 -9.651 1.00 0.00 C ATOM 178 CG ARG A 12 8.455 -11.030 -8.925 1.00 0.00 C ATOM 179 CD ARG A 12 9.318 -11.944 -9.799 1.00 0.00 C ATOM 180 NE ARG A 12 10.548 -12.193 -8.999 1.00 0.00 N ATOM 181 CZ ARG A 12 11.079 -13.385 -8.972 1.00 0.00 C ATOM 182 NH1 ARG A 12 10.551 -14.319 -8.228 1.00 0.00 N ATOM 183 NH2 ARG A 12 12.138 -13.644 -9.689 1.00 0.00 N ATOM 0 H ARG A 12 7.401 -7.810 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 12 10.082 -8.974 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.163 -9.429 -9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.458 -9.808 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.949 -10.850 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.503 -11.513 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.800 -12.876 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.556 -11.470 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 12 10.976 -11.432 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.723 -14.117 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.966 -15.250 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.551 -12.915 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.553 -14.576 -9.668 1.00 0.00 H new ATOM 197 N ALA A 13 8.512 -6.367 -9.740 1.00 0.00 N ATOM 198 CA ALA A 13 8.612 -5.176 -10.632 1.00 0.00 C ATOM 199 C ALA A 13 9.577 -4.149 -10.033 1.00 0.00 C ATOM 200 O ALA A 13 10.568 -3.788 -10.638 1.00 0.00 O ATOM 201 CB ALA A 13 7.195 -4.606 -10.695 1.00 0.00 C ATOM 0 H ALA A 13 7.856 -6.274 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 13 8.992 -5.432 -11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.186 -3.724 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.518 -5.357 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.869 -4.330 -9.692 1.00 0.00 H new ATOM 207 N GLY A 14 9.298 -3.677 -8.848 1.00 0.00 N ATOM 208 CA GLY A 14 10.203 -2.676 -8.215 1.00 0.00 C ATOM 209 C GLY A 14 9.908 -1.286 -8.781 1.00 0.00 C ATOM 210 O GLY A 14 10.804 -0.511 -9.043 1.00 0.00 O ATOM 0 H GLY A 14 8.484 -3.941 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.063 -2.677 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.243 -2.942 -8.402 1.00 0.00 H new ATOM 214 N GLU A 15 8.657 -0.965 -8.972 1.00 0.00 N ATOM 215 CA GLU A 15 8.310 0.377 -9.523 1.00 0.00 C ATOM 216 C GLU A 15 8.229 1.407 -8.393 1.00 0.00 C ATOM 217 O GLU A 15 7.238 1.501 -7.699 1.00 0.00 O ATOM 218 CB GLU A 15 6.943 0.193 -10.182 1.00 0.00 C ATOM 219 CG GLU A 15 7.033 0.566 -11.664 1.00 0.00 C ATOM 220 CD GLU A 15 6.935 -0.701 -12.516 1.00 0.00 C ATOM 221 OE1 GLU A 15 7.889 -1.459 -12.528 1.00 0.00 O ATOM 222 OE2 GLU A 15 5.905 -0.889 -13.144 1.00 0.00 O ATOM 0 H GLU A 15 7.862 -1.572 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 15 9.056 0.740 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.613 -0.840 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.201 0.817 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.231 1.256 -11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.973 1.080 -11.864 1.00 0.00 H new ATOM 229 N LEU A 16 9.263 2.179 -8.203 1.00 0.00 N ATOM 230 CA LEU A 16 9.237 3.199 -7.116 1.00 0.00 C ATOM 231 C LEU A 16 8.880 4.574 -7.686 1.00 0.00 C ATOM 232 O LEU A 16 9.051 4.834 -8.861 1.00 0.00 O ATOM 233 CB LEU A 16 10.656 3.203 -6.541 1.00 0.00 C ATOM 234 CG LEU A 16 10.829 4.406 -5.611 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.810 4.049 -4.494 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.376 5.591 -6.408 1.00 0.00 C ATOM 0 H LEU A 16 10.123 2.148 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 16 8.491 2.972 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.840 2.278 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.387 3.247 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 16 9.865 4.672 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.934 4.905 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.422 3.203 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.774 3.783 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.500 6.448 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.340 5.324 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.678 5.846 -7.206 1.00 0.00 H new ATOM 248 N LYS A 17 8.383 5.456 -6.863 1.00 0.00 N ATOM 249 CA LYS A 17 8.013 6.813 -7.354 1.00 0.00 C ATOM 250 C LYS A 17 8.003 7.800 -6.184 1.00 0.00 C ATOM 251 O LYS A 17 8.834 7.734 -5.299 1.00 0.00 O ATOM 252 CB LYS A 17 6.608 6.656 -7.939 1.00 0.00 C ATOM 253 CG LYS A 17 6.476 7.521 -9.194 1.00 0.00 C ATOM 254 CD LYS A 17 7.425 7.004 -10.277 1.00 0.00 C ATOM 255 CE LYS A 17 8.669 7.894 -10.332 1.00 0.00 C ATOM 256 NZ LYS A 17 8.834 8.236 -11.773 1.00 0.00 N ATOM 0 H LYS A 17 8.217 5.295 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 17 8.716 7.196 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.420 5.611 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.861 6.950 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.448 7.499 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.709 8.559 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.711 5.974 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.923 7.002 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.540 8.791 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.545 7.372 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.668 8.846 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.961 7.364 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.988 8.738 -12.110 1.00 0.00 H new ATOM 270 N VAL A 18 7.072 8.713 -6.167 1.00 0.00 N ATOM 271 CA VAL A 18 7.021 9.695 -5.048 1.00 0.00 C ATOM 272 C VAL A 18 5.568 10.039 -4.710 1.00 0.00 C ATOM 273 O VAL A 18 4.669 9.825 -5.499 1.00 0.00 O ATOM 274 CB VAL A 18 7.758 10.933 -5.564 1.00 0.00 C ATOM 275 CG1 VAL A 18 8.154 11.816 -4.379 1.00 0.00 C ATOM 276 CG2 VAL A 18 9.019 10.504 -6.319 1.00 0.00 C ATOM 0 H VAL A 18 6.347 8.822 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 18 7.475 9.302 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 18 7.105 11.489 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.679 12.699 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.258 12.123 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.807 11.256 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.542 11.387 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.673 9.947 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.741 9.871 -7.162 1.00 0.00 H new ATOM 286 N CYS A 19 5.331 10.569 -3.541 1.00 0.00 N ATOM 287 CA CYS A 19 3.935 10.925 -3.154 1.00 0.00 C ATOM 288 C CYS A 19 3.941 11.941 -2.009 1.00 0.00 C ATOM 289 O CYS A 19 3.116 12.831 -1.952 1.00 0.00 O ATOM 290 CB CYS A 19 3.300 9.611 -2.699 1.00 0.00 C ATOM 291 SG CYS A 19 1.525 9.858 -2.446 1.00 0.00 S ATOM 0 H CYS A 19 6.042 10.771 -2.838 1.00 0.00 H new ATOM 0 HA CYS A 19 3.386 11.380 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.468 8.835 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.766 9.270 -1.775 1.00 0.00 H new ATOM 296 N ALA A 20 4.862 11.815 -1.093 1.00 0.00 N ATOM 297 CA ALA A 20 4.916 12.775 0.047 1.00 0.00 C ATOM 298 C ALA A 20 5.184 14.191 -0.468 1.00 0.00 C ATOM 299 O ALA A 20 6.271 14.716 -0.333 1.00 0.00 O ATOM 300 CB ALA A 20 6.074 12.292 0.919 1.00 0.00 C ATOM 0 H ALA A 20 5.579 11.090 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 20 3.978 12.811 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.178 12.950 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.874 11.276 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.997 12.306 0.339 1.00 0.00 H new ATOM 306 N SER A 21 4.200 14.814 -1.056 1.00 0.00 N ATOM 307 CA SER A 21 4.398 16.196 -1.580 1.00 0.00 C ATOM 308 C SER A 21 4.089 17.223 -0.487 1.00 0.00 C ATOM 309 O SER A 21 3.874 18.387 -0.758 1.00 0.00 O ATOM 310 CB SER A 21 3.408 16.327 -2.735 1.00 0.00 C ATOM 311 OG SER A 21 4.107 16.715 -3.911 1.00 0.00 O ATOM 0 H SER A 21 3.267 14.426 -1.197 1.00 0.00 H new ATOM 0 HA SER A 21 5.424 16.374 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.895 15.379 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.644 17.065 -2.492 1.00 0.00 H new ATOM 0 HG SER A 21 3.475 16.798 -4.655 1.00 0.00 H new ATOM 317 N GLY A 22 4.065 16.799 0.747 1.00 0.00 N ATOM 318 CA GLY A 22 3.768 17.749 1.855 1.00 0.00 C ATOM 319 C GLY A 22 2.386 17.443 2.435 1.00 0.00 C ATOM 320 O GLY A 22 2.025 17.924 3.490 1.00 0.00 O ATOM 0 H GLY A 22 4.238 15.836 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.527 17.665 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.800 18.775 1.487 1.00 0.00 H new ATOM 324 N GLU A 23 1.612 16.646 1.752 1.00 0.00 N ATOM 325 CA GLU A 23 0.252 16.308 2.264 1.00 0.00 C ATOM 326 C GLU A 23 -0.224 14.983 1.663 1.00 0.00 C ATOM 327 O GLU A 23 -1.405 14.697 1.623 1.00 0.00 O ATOM 328 CB GLU A 23 -0.641 17.460 1.803 1.00 0.00 C ATOM 329 CG GLU A 23 -1.376 18.051 3.008 1.00 0.00 C ATOM 330 CD GLU A 23 -2.884 17.867 2.830 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.320 16.728 2.780 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.577 18.867 2.746 1.00 0.00 O ATOM 0 H GLU A 23 1.861 16.214 0.862 1.00 0.00 H new ATOM 0 HA GLU A 23 0.235 16.188 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.039 18.229 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.359 17.104 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.045 17.562 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.138 19.110 3.108 1.00 0.00 H new ATOM 339 N LYS A 24 0.685 14.172 1.196 1.00 0.00 N ATOM 340 CA LYS A 24 0.285 12.866 0.598 1.00 0.00 C ATOM 341 C LYS A 24 1.205 11.749 1.100 1.00 0.00 C ATOM 342 O LYS A 24 2.268 11.999 1.634 1.00 0.00 O ATOM 343 CB LYS A 24 0.444 13.054 -0.911 1.00 0.00 C ATOM 344 CG LYS A 24 -0.878 13.547 -1.505 1.00 0.00 C ATOM 345 CD LYS A 24 -0.644 14.864 -2.249 1.00 0.00 C ATOM 346 CE LYS A 24 -0.802 14.634 -3.754 1.00 0.00 C ATOM 347 NZ LYS A 24 0.590 14.538 -4.276 1.00 0.00 N ATOM 0 H LYS A 24 1.688 14.357 1.202 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.733 12.584 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.238 13.772 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.736 12.113 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.284 12.799 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.614 13.690 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.354 15.618 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.354 15.245 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.364 13.722 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.344 15.454 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.565 14.346 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.088 15.435 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.090 13.766 -3.791 1.00 0.00 H new ATOM 361 N TYR A 25 0.805 10.518 0.933 1.00 0.00 N ATOM 362 CA TYR A 25 1.655 9.382 1.401 1.00 0.00 C ATOM 363 C TYR A 25 1.301 8.111 0.626 1.00 0.00 C ATOM 364 O TYR A 25 0.381 8.094 -0.168 1.00 0.00 O ATOM 365 CB TYR A 25 1.329 9.216 2.888 1.00 0.00 C ATOM 366 CG TYR A 25 -0.156 9.377 3.111 1.00 0.00 C ATOM 367 CD1 TYR A 25 -1.044 8.401 2.644 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.644 10.502 3.785 1.00 0.00 C ATOM 369 CE1 TYR A 25 -2.420 8.551 2.852 1.00 0.00 C ATOM 370 CE2 TYR A 25 -2.019 10.653 3.993 1.00 0.00 C ATOM 371 CZ TYR A 25 -2.908 9.677 3.527 1.00 0.00 C ATOM 372 OH TYR A 25 -4.264 9.824 3.732 1.00 0.00 O ATOM 0 H TYR A 25 -0.074 10.248 0.492 1.00 0.00 H new ATOM 0 HA TYR A 25 2.717 9.569 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.653 8.234 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.876 9.955 3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.668 7.533 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.042 11.255 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.106 7.798 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.395 11.522 4.513 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.534 10.735 3.492 1.00 0.00 H new ATOM 382 N CYS A 26 2.019 7.044 0.848 1.00 0.00 N ATOM 383 CA CYS A 26 1.713 5.779 0.117 1.00 0.00 C ATOM 384 C CYS A 26 0.657 4.973 0.878 1.00 0.00 C ATOM 385 O CYS A 26 0.747 4.789 2.076 1.00 0.00 O ATOM 386 CB CYS A 26 3.037 5.017 0.059 1.00 0.00 C ATOM 387 SG CYS A 26 3.663 5.020 -1.640 1.00 0.00 S ATOM 0 H CYS A 26 2.801 6.992 1.501 1.00 0.00 H new ATOM 0 HA CYS A 26 1.313 5.965 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.764 5.479 0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.894 3.993 0.403 1.00 0.00 H new ATOM 392 N PHE A 27 -0.342 4.493 0.191 1.00 0.00 N ATOM 393 CA PHE A 27 -1.405 3.701 0.875 1.00 0.00 C ATOM 394 C PHE A 27 -1.291 2.222 0.494 1.00 0.00 C ATOM 395 O PHE A 27 -1.285 1.869 -0.668 1.00 0.00 O ATOM 396 CB PHE A 27 -2.725 4.286 0.366 1.00 0.00 C ATOM 397 CG PHE A 27 -2.931 3.890 -1.077 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.318 4.624 -2.099 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.737 2.790 -1.391 1.00 0.00 C ATOM 400 CE1 PHE A 27 -2.509 4.257 -3.436 1.00 0.00 C ATOM 401 CE2 PHE A 27 -3.929 2.423 -2.730 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.315 3.157 -3.751 1.00 0.00 C ATOM 0 H PHE A 27 -0.469 4.614 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.327 3.756 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.554 3.924 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.713 5.372 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.697 5.474 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.211 2.224 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.035 4.822 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.551 1.574 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.463 2.874 -4.783 1.00 0.00 H new ATOM 412 N LYS A 28 -1.203 1.356 1.466 1.00 0.00 N ATOM 413 CA LYS A 28 -1.092 -0.099 1.161 1.00 0.00 C ATOM 414 C LYS A 28 -2.408 -0.809 1.488 1.00 0.00 C ATOM 415 O LYS A 28 -2.810 -0.895 2.631 1.00 0.00 O ATOM 416 CB LYS A 28 0.033 -0.611 2.063 1.00 0.00 C ATOM 417 CG LYS A 28 0.536 -1.957 1.537 1.00 0.00 C ATOM 418 CD LYS A 28 0.167 -3.063 2.528 1.00 0.00 C ATOM 419 CE LYS A 28 1.280 -3.211 3.567 1.00 0.00 C ATOM 420 NZ LYS A 28 0.909 -4.415 4.361 1.00 0.00 N ATOM 0 H LYS A 28 -1.203 1.593 2.458 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.884 -0.285 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.850 0.110 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.328 -0.720 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.096 -2.166 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.617 -1.924 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.775 -2.824 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.021 -4.005 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.252 -3.337 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.349 -2.327 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.295 -4.329 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.127 -4.493 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.299 -5.265 3.906 1.00 0.00 H new ATOM 434 N GLU A 29 -3.082 -1.317 0.493 1.00 0.00 N ATOM 435 CA GLU A 29 -4.372 -2.021 0.748 1.00 0.00 C ATOM 436 C GLU A 29 -4.210 -3.524 0.507 1.00 0.00 C ATOM 437 O GLU A 29 -3.884 -3.956 -0.581 1.00 0.00 O ATOM 438 CB GLU A 29 -5.357 -1.420 -0.255 1.00 0.00 C ATOM 439 CG GLU A 29 -6.769 -1.921 0.052 1.00 0.00 C ATOM 440 CD GLU A 29 -7.795 -0.913 -0.471 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.442 0.247 -0.601 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.915 -1.320 -0.733 1.00 0.00 O ATOM 0 H GLU A 29 -2.796 -1.275 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.713 -1.899 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.327 -0.332 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.074 -1.698 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.930 -2.894 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.892 -2.057 1.126 1.00 0.00 H new ATOM 449 N SER A 30 -4.432 -4.324 1.514 1.00 0.00 N ATOM 450 CA SER A 30 -4.287 -5.798 1.339 1.00 0.00 C ATOM 451 C SER A 30 -5.645 -6.489 1.496 1.00 0.00 C ATOM 452 O SER A 30 -6.270 -6.423 2.534 1.00 0.00 O ATOM 453 CB SER A 30 -3.332 -6.235 2.448 1.00 0.00 C ATOM 454 OG SER A 30 -2.752 -7.485 2.103 1.00 0.00 O ATOM 0 H SER A 30 -4.707 -4.022 2.449 1.00 0.00 H new ATOM 0 HA SER A 30 -3.912 -6.061 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.553 -5.486 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.868 -6.318 3.393 1.00 0.00 H new ATOM 0 HG SER A 30 -3.047 -7.746 1.205 1.00 0.00 H new ATOM 460 N TRP A 31 -6.100 -7.156 0.471 1.00 0.00 N ATOM 461 CA TRP A 31 -7.414 -7.857 0.558 1.00 0.00 C ATOM 462 C TRP A 31 -7.233 -9.219 1.233 1.00 0.00 C ATOM 463 O TRP A 31 -6.425 -10.025 0.816 1.00 0.00 O ATOM 464 CB TRP A 31 -7.865 -8.032 -0.892 1.00 0.00 C ATOM 465 CG TRP A 31 -9.286 -7.586 -1.033 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.340 -8.137 -0.389 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.825 -6.511 -1.856 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.492 -7.469 -0.764 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.227 -6.459 -1.666 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.240 -5.586 -2.738 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -12.020 -5.522 -2.330 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.036 -4.641 -3.408 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.423 -4.609 -3.204 1.00 0.00 C ATOM 0 H TRP A 31 -5.619 -7.246 -0.424 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.145 -7.302 1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.224 -7.452 -1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.770 -9.076 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.290 -8.963 0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.424 -7.696 -0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.173 -5.602 -2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -13.088 -5.502 -2.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.577 -3.935 -4.084 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.029 -3.880 -3.721 1.00 0.00 H new ATOM 484 N ARG A 32 -7.974 -9.484 2.274 1.00 0.00 N ATOM 485 CA ARG A 32 -7.833 -10.797 2.970 1.00 0.00 C ATOM 486 C ARG A 32 -9.172 -11.540 2.986 1.00 0.00 C ATOM 487 O ARG A 32 -10.144 -11.079 3.552 1.00 0.00 O ATOM 488 CB ARG A 32 -7.396 -10.446 4.393 1.00 0.00 C ATOM 489 CG ARG A 32 -5.889 -10.670 4.532 1.00 0.00 C ATOM 490 CD ARG A 32 -5.633 -12.041 5.163 1.00 0.00 C ATOM 491 NE ARG A 32 -4.252 -11.958 5.714 1.00 0.00 N ATOM 492 CZ ARG A 32 -3.227 -11.936 4.906 1.00 0.00 C ATOM 493 NH1 ARG A 32 -2.862 -10.814 4.347 1.00 0.00 N ATOM 494 NH2 ARG A 32 -2.569 -13.034 4.655 1.00 0.00 N ATOM 0 H ARG A 32 -8.668 -8.852 2.672 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.117 -11.451 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.642 -9.408 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.934 -11.062 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.410 -10.613 3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.449 -9.886 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.359 -12.257 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.716 -12.838 4.424 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.107 -11.918 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.378 -9.956 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.061 -10.796 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.855 -13.911 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.768 -13.016 4.023 1.00 0.00 H new ATOM 508 N GLU A 33 -9.226 -12.689 2.371 1.00 0.00 N ATOM 509 CA GLU A 33 -10.498 -13.467 2.350 1.00 0.00 C ATOM 510 C GLU A 33 -10.202 -14.948 2.101 1.00 0.00 C ATOM 511 O GLU A 33 -9.097 -15.320 1.759 1.00 0.00 O ATOM 512 CB GLU A 33 -11.307 -12.880 1.193 1.00 0.00 C ATOM 513 CG GLU A 33 -12.796 -13.147 1.425 1.00 0.00 C ATOM 514 CD GLU A 33 -13.626 -12.135 0.632 1.00 0.00 C ATOM 515 OE1 GLU A 33 -13.557 -10.961 0.952 1.00 0.00 O ATOM 516 OE2 GLU A 33 -14.319 -12.554 -0.281 1.00 0.00 O ATOM 0 H GLU A 33 -8.444 -13.124 1.881 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.038 -13.402 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.126 -11.808 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.989 -13.325 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.047 -14.161 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.029 -13.071 2.487 1.00 0.00 H new ATOM 523 N ALA A 34 -11.178 -15.796 2.268 1.00 0.00 N ATOM 524 CA ALA A 34 -10.946 -17.252 2.039 1.00 0.00 C ATOM 525 C ALA A 34 -10.761 -17.527 0.544 1.00 0.00 C ATOM 526 O ALA A 34 -10.473 -18.635 0.138 1.00 0.00 O ATOM 527 CB ALA A 34 -12.208 -17.942 2.559 1.00 0.00 C ATOM 0 H ALA A 34 -12.125 -15.546 2.553 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.049 -17.612 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.115 -19.020 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.335 -17.717 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.075 -17.581 2.005 1.00 0.00 H new ATOM 533 N ARG A 35 -10.922 -16.525 -0.277 1.00 0.00 N ATOM 534 CA ARG A 35 -10.753 -16.729 -1.745 1.00 0.00 C ATOM 535 C ARG A 35 -9.313 -16.416 -2.159 1.00 0.00 C ATOM 536 O ARG A 35 -8.944 -16.554 -3.309 1.00 0.00 O ATOM 537 CB ARG A 35 -11.725 -15.743 -2.395 1.00 0.00 C ATOM 538 CG ARG A 35 -13.163 -16.146 -2.059 1.00 0.00 C ATOM 539 CD ARG A 35 -14.131 -15.098 -2.613 1.00 0.00 C ATOM 540 NE ARG A 35 -15.268 -15.078 -1.652 1.00 0.00 N ATOM 541 CZ ARG A 35 -16.349 -15.764 -1.904 1.00 0.00 C ATOM 542 NH1 ARG A 35 -16.903 -15.698 -3.085 1.00 0.00 N ATOM 543 NH2 ARG A 35 -16.875 -16.517 -0.978 1.00 0.00 N ATOM 0 H ARG A 35 -11.163 -15.575 0.004 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.953 -17.757 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.527 -14.732 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.582 -15.734 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.387 -17.124 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.284 -16.234 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.656 -14.120 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.466 -15.362 -3.616 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.202 -14.528 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.491 -15.110 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.748 -16.234 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.441 -16.570 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.720 -17.053 -1.176 1.00 0.00 H new ATOM 557 N GLY A 36 -8.497 -15.997 -1.231 1.00 0.00 N ATOM 558 CA GLY A 36 -7.082 -15.675 -1.571 1.00 0.00 C ATOM 559 C GLY A 36 -6.715 -14.309 -0.989 1.00 0.00 C ATOM 560 O GLY A 36 -7.569 -13.479 -0.744 1.00 0.00 O ATOM 0 H GLY A 36 -8.749 -15.864 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.418 -16.442 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.949 -15.669 -2.653 1.00 0.00 H new ATOM 564 N THR A 37 -5.454 -14.067 -0.762 1.00 0.00 N ATOM 565 CA THR A 37 -5.037 -12.753 -0.194 1.00 0.00 C ATOM 566 C THR A 37 -4.390 -11.889 -1.281 1.00 0.00 C ATOM 567 O THR A 37 -3.880 -12.388 -2.264 1.00 0.00 O ATOM 568 CB THR A 37 -4.020 -13.095 0.896 1.00 0.00 C ATOM 569 OG1 THR A 37 -3.134 -14.098 0.419 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.754 -13.607 2.137 1.00 0.00 C ATOM 0 H THR A 37 -4.694 -14.722 -0.945 1.00 0.00 H new ATOM 0 HA THR A 37 -5.881 -12.188 0.201 1.00 0.00 H new ATOM 0 HB THR A 37 -3.451 -12.202 1.155 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.481 -14.316 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.029 -13.851 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.432 -12.836 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.324 -14.500 1.880 1.00 0.00 H new ATOM 578 N ARG A 38 -4.410 -10.595 -1.112 1.00 0.00 N ATOM 579 CA ARG A 38 -3.800 -9.700 -2.138 1.00 0.00 C ATOM 580 C ARG A 38 -3.238 -8.440 -1.473 1.00 0.00 C ATOM 581 O ARG A 38 -3.727 -7.994 -0.455 1.00 0.00 O ATOM 582 CB ARG A 38 -4.950 -9.340 -3.079 1.00 0.00 C ATOM 583 CG ARG A 38 -4.522 -9.581 -4.528 1.00 0.00 C ATOM 584 CD ARG A 38 -5.577 -9.004 -5.474 1.00 0.00 C ATOM 585 NE ARG A 38 -4.803 -8.433 -6.611 1.00 0.00 N ATOM 586 CZ ARG A 38 -5.245 -8.567 -7.832 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.427 -8.117 -8.152 1.00 0.00 N ATOM 588 NH2 ARG A 38 -4.504 -9.150 -8.735 1.00 0.00 N ATOM 0 H ARG A 38 -4.822 -10.119 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.974 -10.177 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.828 -9.942 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.233 -8.296 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.555 -9.113 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.400 -10.649 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.267 -9.776 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.175 -8.238 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.929 -7.938 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.007 -7.660 -7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.772 -8.222 -9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.579 -9.501 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.850 -9.254 -9.689 1.00 0.00 H new ATOM 602 N ILE A 39 -2.215 -7.862 -2.041 1.00 0.00 N ATOM 603 CA ILE A 39 -1.625 -6.632 -1.440 1.00 0.00 C ATOM 604 C ILE A 39 -1.243 -5.637 -2.540 1.00 0.00 C ATOM 605 O ILE A 39 -0.497 -5.954 -3.445 1.00 0.00 O ATOM 606 CB ILE A 39 -0.383 -7.113 -0.691 1.00 0.00 C ATOM 607 CG1 ILE A 39 0.108 -6.004 0.245 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.722 -7.456 -1.693 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.221 -6.549 1.142 1.00 0.00 C ATOM 0 H ILE A 39 -1.762 -8.188 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.323 -6.118 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.633 -8.000 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.476 -5.159 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.717 -5.636 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.606 -7.799 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.375 -8.244 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.972 -6.570 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.571 -5.760 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.837 -7.380 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.049 -6.896 0.524 1.00 0.00 H new ATOM 621 N GLU A 40 -1.749 -4.437 -2.469 1.00 0.00 N ATOM 622 CA GLU A 40 -1.413 -3.424 -3.512 1.00 0.00 C ATOM 623 C GLU A 40 -0.996 -2.105 -2.854 1.00 0.00 C ATOM 624 O GLU A 40 -1.334 -1.833 -1.719 1.00 0.00 O ATOM 625 CB GLU A 40 -2.703 -3.240 -4.313 1.00 0.00 C ATOM 626 CG GLU A 40 -2.555 -3.907 -5.683 1.00 0.00 C ATOM 627 CD GLU A 40 -2.258 -2.842 -6.740 1.00 0.00 C ATOM 628 OE1 GLU A 40 -2.743 -1.733 -6.588 1.00 0.00 O ATOM 629 OE2 GLU A 40 -1.551 -3.154 -7.685 1.00 0.00 O ATOM 0 H GLU A 40 -2.380 -4.113 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.582 -3.740 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.544 -3.676 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.919 -2.179 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.751 -4.642 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.469 -4.443 -5.939 1.00 0.00 H new ATOM 636 N ARG A 41 -0.264 -1.286 -3.558 1.00 0.00 N ATOM 637 CA ARG A 41 0.175 0.014 -2.973 1.00 0.00 C ATOM 638 C ARG A 41 -0.025 1.143 -3.988 1.00 0.00 C ATOM 639 O ARG A 41 -0.726 0.993 -4.968 1.00 0.00 O ATOM 640 CB ARG A 41 1.661 -0.171 -2.663 1.00 0.00 C ATOM 641 CG ARG A 41 1.918 0.133 -1.186 1.00 0.00 C ATOM 642 CD ARG A 41 2.287 1.609 -1.023 1.00 0.00 C ATOM 643 NE ARG A 41 3.214 1.647 0.141 1.00 0.00 N ATOM 644 CZ ARG A 41 4.433 1.191 0.024 1.00 0.00 C ATOM 645 NH1 ARG A 41 4.810 0.600 -1.078 1.00 0.00 N ATOM 646 NH2 ARG A 41 5.277 1.329 1.011 1.00 0.00 N ATOM 0 H ARG A 41 0.049 -1.460 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.396 0.280 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.967 -1.192 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.259 0.490 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.030 -0.098 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.723 -0.497 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.766 1.998 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.402 2.220 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 41 2.897 2.030 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.152 0.493 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.762 0.245 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.984 1.792 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.229 0.974 0.921 1.00 0.00 H new ATOM 660 N GLY A 42 0.584 2.273 -3.758 1.00 0.00 N ATOM 661 CA GLY A 42 0.430 3.409 -4.708 1.00 0.00 C ATOM 662 C GLY A 42 0.396 4.724 -3.930 1.00 0.00 C ATOM 663 O GLY A 42 0.390 4.737 -2.715 1.00 0.00 O ATOM 0 H GLY A 42 1.182 2.459 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.256 3.416 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.487 3.292 -5.285 1.00 0.00 H new ATOM 667 N CYS A 43 0.376 5.831 -4.618 1.00 0.00 N ATOM 668 CA CYS A 43 0.345 7.146 -3.916 1.00 0.00 C ATOM 669 C CYS A 43 -1.103 7.576 -3.663 1.00 0.00 C ATOM 670 O CYS A 43 -1.953 7.455 -4.522 1.00 0.00 O ATOM 671 CB CYS A 43 1.037 8.120 -4.869 1.00 0.00 C ATOM 672 SG CYS A 43 0.751 9.817 -4.310 1.00 0.00 S ATOM 0 H CYS A 43 0.380 5.883 -5.637 1.00 0.00 H new ATOM 0 HA CYS A 43 0.838 7.108 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.107 7.913 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.653 7.990 -5.881 1.00 0.00 H new ATOM 677 N ALA A 44 -1.388 8.076 -2.493 1.00 0.00 N ATOM 678 CA ALA A 44 -2.781 8.512 -2.191 1.00 0.00 C ATOM 679 C ALA A 44 -2.789 9.488 -1.010 1.00 0.00 C ATOM 680 O ALA A 44 -1.780 9.716 -0.370 1.00 0.00 O ATOM 681 CB ALA A 44 -3.528 7.229 -1.831 1.00 0.00 C ATOM 0 H ALA A 44 -0.718 8.202 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.242 9.030 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.565 7.466 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.496 6.540 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.056 6.764 -0.966 1.00 0.00 H new ATOM 687 N ALA A 45 -3.922 10.065 -0.719 1.00 0.00 N ATOM 688 CA ALA A 45 -4.004 11.026 0.418 1.00 0.00 C ATOM 689 C ALA A 45 -5.174 10.661 1.335 1.00 0.00 C ATOM 690 O ALA A 45 -5.406 11.295 2.344 1.00 0.00 O ATOM 691 CB ALA A 45 -4.238 12.390 -0.231 1.00 0.00 C ATOM 0 H ALA A 45 -4.797 9.912 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.103 11.016 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.310 13.154 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.406 12.624 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.165 12.366 -0.804 1.00 0.00 H new ATOM 697 N THR A 46 -5.913 9.642 0.988 1.00 0.00 N ATOM 698 CA THR A 46 -7.068 9.233 1.838 1.00 0.00 C ATOM 699 C THR A 46 -6.770 7.898 2.524 1.00 0.00 C ATOM 700 O THR A 46 -6.480 6.910 1.879 1.00 0.00 O ATOM 701 CB THR A 46 -8.240 9.089 0.867 1.00 0.00 C ATOM 702 OG1 THR A 46 -7.770 8.560 -0.365 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.876 10.460 0.627 1.00 0.00 C ATOM 0 H THR A 46 -5.767 9.075 0.153 1.00 0.00 H new ATOM 0 HA THR A 46 -7.279 9.955 2.627 1.00 0.00 H new ATOM 0 HB THR A 46 -8.984 8.415 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.521 8.465 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.712 10.357 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.236 10.865 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.134 11.136 0.202 1.00 0.00 H new ATOM 711 N CYS A 47 -6.836 7.861 3.826 1.00 0.00 N ATOM 712 CA CYS A 47 -6.552 6.590 4.552 1.00 0.00 C ATOM 713 C CYS A 47 -7.849 5.996 5.108 1.00 0.00 C ATOM 714 O CYS A 47 -8.329 6.411 6.145 1.00 0.00 O ATOM 715 CB CYS A 47 -5.613 6.988 5.690 1.00 0.00 C ATOM 716 SG CYS A 47 -3.936 7.202 5.042 1.00 0.00 S ATOM 0 H CYS A 47 -7.074 8.656 4.419 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.110 5.833 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.956 7.913 6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.620 6.222 6.466 1.00 0.00 H new ATOM 721 N PRO A 48 -8.373 5.039 4.393 1.00 0.00 N ATOM 722 CA PRO A 48 -9.629 4.373 4.814 1.00 0.00 C ATOM 723 C PRO A 48 -9.364 3.436 5.996 1.00 0.00 C ATOM 724 O PRO A 48 -8.358 3.538 6.668 1.00 0.00 O ATOM 725 CB PRO A 48 -10.048 3.584 3.577 1.00 0.00 C ATOM 726 CG PRO A 48 -8.780 3.350 2.817 1.00 0.00 C ATOM 727 CD PRO A 48 -7.850 4.492 3.137 1.00 0.00 C ATOM 0 HA PRO A 48 -10.396 5.072 5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.522 2.642 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.769 4.141 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.332 2.398 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.977 3.303 1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.822 4.149 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.851 5.241 2.345 1.00 0.00 H new ATOM 735 N LYS A 49 -10.258 2.521 6.251 1.00 0.00 N ATOM 736 CA LYS A 49 -10.055 1.578 7.388 1.00 0.00 C ATOM 737 C LYS A 49 -10.104 0.132 6.887 1.00 0.00 C ATOM 738 O LYS A 49 -9.140 -0.601 6.982 1.00 0.00 O ATOM 739 CB LYS A 49 -11.215 1.854 8.344 1.00 0.00 C ATOM 740 CG LYS A 49 -10.758 1.615 9.785 1.00 0.00 C ATOM 741 CD LYS A 49 -11.899 1.954 10.745 1.00 0.00 C ATOM 742 CE LYS A 49 -11.385 2.893 11.840 1.00 0.00 C ATOM 743 NZ LYS A 49 -12.603 3.563 12.374 1.00 0.00 N ATOM 0 H LYS A 49 -11.120 2.385 5.722 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.088 1.715 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.560 2.881 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.058 1.205 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.456 0.576 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.886 2.230 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.717 2.426 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.296 1.042 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.864 2.340 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.679 3.619 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.332 4.224 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.075 4.087 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.254 2.847 12.756 1.00 0.00 H new ATOM 757 N GLY A 50 -11.221 -0.282 6.356 1.00 0.00 N ATOM 758 CA GLY A 50 -11.333 -1.678 5.850 1.00 0.00 C ATOM 759 C GLY A 50 -12.665 -2.279 6.298 1.00 0.00 C ATOM 760 O GLY A 50 -13.648 -1.581 6.459 1.00 0.00 O ATOM 0 H GLY A 50 -12.061 0.287 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.265 -1.688 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.506 -2.280 6.226 1.00 0.00 H new ATOM 764 N SER A 51 -12.709 -3.566 6.502 1.00 0.00 N ATOM 765 CA SER A 51 -13.982 -4.208 6.941 1.00 0.00 C ATOM 766 C SER A 51 -13.693 -5.282 7.992 1.00 0.00 C ATOM 767 O SER A 51 -13.771 -6.462 7.720 1.00 0.00 O ATOM 768 CB SER A 51 -14.562 -4.838 5.676 1.00 0.00 C ATOM 769 OG SER A 51 -15.966 -4.613 5.640 1.00 0.00 O ATOM 0 H SER A 51 -11.920 -4.202 6.384 1.00 0.00 H new ATOM 0 HA SER A 51 -14.672 -3.496 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.090 -4.408 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.353 -5.908 5.660 1.00 0.00 H new ATOM 0 HG SER A 51 -16.341 -5.015 4.829 1.00 0.00 H new ATOM 775 N VAL A 52 -13.356 -4.877 9.188 1.00 0.00 N ATOM 776 CA VAL A 52 -13.055 -5.868 10.263 1.00 0.00 C ATOM 777 C VAL A 52 -11.834 -6.709 9.879 1.00 0.00 C ATOM 778 O VAL A 52 -10.777 -6.590 10.468 1.00 0.00 O ATOM 779 CB VAL A 52 -14.305 -6.744 10.361 1.00 0.00 C ATOM 780 CG1 VAL A 52 -14.220 -7.617 11.615 1.00 0.00 C ATOM 781 CG2 VAL A 52 -15.546 -5.852 10.447 1.00 0.00 C ATOM 0 H VAL A 52 -13.276 -3.899 9.468 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.823 -5.388 11.214 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.372 -7.380 9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.111 -8.241 11.685 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.336 -8.252 11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.153 -6.981 12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.438 -6.475 10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.477 -5.217 11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.608 -5.228 9.555 1.00 0.00 H new ATOM 791 N TYR A 53 -11.968 -7.555 8.896 1.00 0.00 N ATOM 792 CA TYR A 53 -10.815 -8.399 8.474 1.00 0.00 C ATOM 793 C TYR A 53 -10.894 -8.689 6.973 1.00 0.00 C ATOM 794 O TYR A 53 -10.907 -9.828 6.552 1.00 0.00 O ATOM 795 CB TYR A 53 -10.958 -9.691 9.279 1.00 0.00 C ATOM 796 CG TYR A 53 -9.593 -10.298 9.504 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.808 -9.875 10.582 1.00 0.00 C ATOM 798 CD2 TYR A 53 -9.114 -11.285 8.633 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.543 -10.438 10.790 1.00 0.00 C ATOM 800 CE2 TYR A 53 -7.850 -11.849 8.842 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.064 -11.424 9.920 1.00 0.00 C ATOM 802 OH TYR A 53 -5.818 -11.981 10.126 1.00 0.00 O ATOM 0 H TYR A 53 -12.827 -7.699 8.366 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.857 -7.911 8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -11.438 -9.485 10.236 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.598 -10.395 8.746 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.178 -9.114 11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.720 -11.611 7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.937 -10.111 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.481 -12.612 8.172 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.640 -12.650 9.432 1.00 0.00 H new ATOM 812 N GLY A 54 -10.951 -7.667 6.161 1.00 0.00 N ATOM 813 CA GLY A 54 -11.032 -7.892 4.690 1.00 0.00 C ATOM 814 C GLY A 54 -10.140 -6.883 3.964 1.00 0.00 C ATOM 815 O GLY A 54 -9.456 -7.216 3.016 1.00 0.00 O ATOM 0 H GLY A 54 -10.945 -6.690 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.718 -8.908 4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.063 -7.789 4.353 1.00 0.00 H new ATOM 819 N LEU A 55 -10.144 -5.652 4.396 1.00 0.00 N ATOM 820 CA LEU A 55 -9.297 -4.626 3.722 1.00 0.00 C ATOM 821 C LEU A 55 -8.218 -4.109 4.678 1.00 0.00 C ATOM 822 O LEU A 55 -8.471 -3.269 5.519 1.00 0.00 O ATOM 823 CB LEU A 55 -10.262 -3.500 3.349 1.00 0.00 C ATOM 824 CG LEU A 55 -10.733 -3.688 1.906 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.891 -4.686 1.873 1.00 0.00 C ATOM 826 CD2 LEU A 55 -11.202 -2.343 1.347 1.00 0.00 C ATOM 0 H LEU A 55 -10.695 -5.312 5.184 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.780 -5.030 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.117 -3.501 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.770 -2.534 3.459 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.910 -4.068 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.227 -4.820 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.558 -5.643 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.715 -4.307 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.538 -2.474 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.025 -1.964 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.377 -1.631 1.371 1.00 0.00 H new ATOM 838 N TYR A 56 -7.017 -4.601 4.551 1.00 0.00 N ATOM 839 CA TYR A 56 -5.922 -4.133 5.449 1.00 0.00 C ATOM 840 C TYR A 56 -5.246 -2.896 4.850 1.00 0.00 C ATOM 841 O TYR A 56 -4.317 -3.000 4.072 1.00 0.00 O ATOM 842 CB TYR A 56 -4.939 -5.302 5.517 1.00 0.00 C ATOM 843 CG TYR A 56 -4.373 -5.404 6.912 1.00 0.00 C ATOM 844 CD1 TYR A 56 -5.220 -5.678 7.994 1.00 0.00 C ATOM 845 CD2 TYR A 56 -3.001 -5.221 7.126 1.00 0.00 C ATOM 846 CE1 TYR A 56 -4.693 -5.771 9.287 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.475 -5.315 8.419 1.00 0.00 C ATOM 848 CZ TYR A 56 -3.321 -5.589 9.500 1.00 0.00 C ATOM 849 OH TYR A 56 -2.802 -5.680 10.776 1.00 0.00 O ATOM 0 H TYR A 56 -6.746 -5.306 3.866 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.287 -3.851 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.443 -6.231 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.134 -5.156 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.278 -5.817 7.830 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.349 -5.007 6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.345 -5.983 10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.417 -5.176 8.583 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.834 -5.529 10.747 1.00 0.00 H new ATOM 859 N VAL A 57 -5.705 -1.727 5.204 1.00 0.00 N ATOM 860 CA VAL A 57 -5.090 -0.487 4.652 1.00 0.00 C ATOM 861 C VAL A 57 -3.938 -0.019 5.546 1.00 0.00 C ATOM 862 O VAL A 57 -3.996 -0.121 6.755 1.00 0.00 O ATOM 863 CB VAL A 57 -6.219 0.544 4.648 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.590 0.901 6.088 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.755 1.805 3.915 1.00 0.00 C ATOM 0 H VAL A 57 -6.479 -1.577 5.851 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.673 -0.642 3.657 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.089 0.127 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.395 1.636 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.920 0.004 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.720 1.318 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.559 2.541 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.885 2.221 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.490 1.552 2.888 1.00 0.00 H new ATOM 875 N LEU A 58 -2.891 0.495 4.960 1.00 0.00 N ATOM 876 CA LEU A 58 -1.736 0.968 5.776 1.00 0.00 C ATOM 877 C LEU A 58 -1.044 2.146 5.082 1.00 0.00 C ATOM 878 O LEU A 58 -0.401 1.987 4.064 1.00 0.00 O ATOM 879 CB LEU A 58 -0.794 -0.233 5.862 1.00 0.00 C ATOM 880 CG LEU A 58 -0.468 -0.524 7.327 1.00 0.00 C ATOM 881 CD1 LEU A 58 0.175 0.709 7.963 1.00 0.00 C ATOM 882 CD2 LEU A 58 -1.758 -0.868 8.076 1.00 0.00 C ATOM 0 H LEU A 58 -2.785 0.608 3.952 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.042 1.317 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.258 -1.106 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.123 -0.030 5.308 1.00 0.00 H new ATOM 0 HG LEU A 58 0.224 -1.364 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.407 0.501 9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.093 0.957 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.516 1.550 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.528 -1.076 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.448 -0.027 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.218 -1.747 7.624 1.00 0.00 H new ATOM 894 N CYS A 59 -1.171 3.326 5.626 1.00 0.00 N ATOM 895 CA CYS A 59 -0.520 4.511 4.998 1.00 0.00 C ATOM 896 C CYS A 59 0.932 4.630 5.468 1.00 0.00 C ATOM 897 O CYS A 59 1.279 4.208 6.554 1.00 0.00 O ATOM 898 CB CYS A 59 -1.341 5.709 5.476 1.00 0.00 C ATOM 899 SG CYS A 59 -3.100 5.372 5.219 1.00 0.00 S ATOM 0 H CYS A 59 -1.697 3.521 6.478 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.494 4.442 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.146 5.900 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.048 6.606 4.931 1.00 0.00 H new ATOM 904 N CYS A 60 1.784 5.198 4.659 1.00 0.00 N ATOM 905 CA CYS A 60 3.213 5.339 5.063 1.00 0.00 C ATOM 906 C CYS A 60 3.818 6.615 4.463 1.00 0.00 C ATOM 907 O CYS A 60 3.385 7.095 3.432 1.00 0.00 O ATOM 908 CB CYS A 60 3.913 4.107 4.490 1.00 0.00 C ATOM 909 SG CYS A 60 4.642 3.136 5.830 1.00 0.00 S ATOM 0 H CYS A 60 1.554 5.570 3.738 1.00 0.00 H new ATOM 0 HA CYS A 60 3.323 5.411 6.145 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.200 3.498 3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.688 4.412 3.787 1.00 0.00 H new ATOM 914 N THR A 61 4.826 7.158 5.095 1.00 0.00 N ATOM 915 CA THR A 61 5.470 8.388 4.564 1.00 0.00 C ATOM 916 C THR A 61 6.970 8.396 4.897 1.00 0.00 C ATOM 917 O THR A 61 7.420 7.724 5.805 1.00 0.00 O ATOM 918 CB THR A 61 4.759 9.543 5.272 1.00 0.00 C ATOM 919 OG1 THR A 61 5.363 10.772 4.891 1.00 0.00 O ATOM 920 CG2 THR A 61 4.874 9.363 6.787 1.00 0.00 C ATOM 0 H THR A 61 5.230 6.798 5.960 1.00 0.00 H new ATOM 0 HA THR A 61 5.388 8.458 3.479 1.00 0.00 H new ATOM 0 HB THR A 61 3.706 9.552 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.908 11.514 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.367 10.186 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.411 8.420 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.926 9.355 7.074 1.00 0.00 H new ATOM 928 N THR A 62 7.744 9.163 4.173 1.00 0.00 N ATOM 929 CA THR A 62 9.213 9.236 4.447 1.00 0.00 C ATOM 930 C THR A 62 9.893 7.874 4.248 1.00 0.00 C ATOM 931 O THR A 62 9.316 6.835 4.498 1.00 0.00 O ATOM 932 CB THR A 62 9.319 9.675 5.908 1.00 0.00 C ATOM 933 OG1 THR A 62 8.320 10.649 6.180 1.00 0.00 O ATOM 934 CG2 THR A 62 10.702 10.273 6.163 1.00 0.00 C ATOM 0 H THR A 62 7.421 9.745 3.400 1.00 0.00 H new ATOM 0 HA THR A 62 9.711 9.925 3.765 1.00 0.00 H new ATOM 0 HB THR A 62 9.174 8.813 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.384 10.931 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.777 10.586 7.205 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.466 9.525 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.851 11.136 5.514 1.00 0.00 H new ATOM 942 N ASP A 63 11.130 7.886 3.811 1.00 0.00 N ATOM 943 CA ASP A 63 11.888 6.612 3.598 1.00 0.00 C ATOM 944 C ASP A 63 10.978 5.509 3.050 1.00 0.00 C ATOM 945 O ASP A 63 10.279 4.850 3.792 1.00 0.00 O ATOM 946 CB ASP A 63 12.412 6.231 4.982 1.00 0.00 C ATOM 947 CG ASP A 63 13.572 5.244 4.836 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.330 5.388 3.889 1.00 0.00 O ATOM 949 OD2 ASP A 63 13.685 4.363 5.671 1.00 0.00 O ATOM 0 H ASP A 63 11.652 8.734 3.590 1.00 0.00 H new ATOM 0 HA ASP A 63 12.688 6.738 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.744 7.122 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.613 5.785 5.574 1.00 0.00 H new ATOM 954 N ASP A 64 10.991 5.295 1.759 1.00 0.00 N ATOM 955 CA ASP A 64 10.125 4.224 1.166 1.00 0.00 C ATOM 956 C ASP A 64 8.646 4.495 1.480 1.00 0.00 C ATOM 957 O ASP A 64 7.891 4.893 0.616 1.00 0.00 O ATOM 958 CB ASP A 64 10.585 2.927 1.835 1.00 0.00 C ATOM 959 CG ASP A 64 11.202 2.002 0.785 1.00 0.00 C ATOM 960 OD1 ASP A 64 10.456 1.265 0.161 1.00 0.00 O ATOM 961 OD2 ASP A 64 12.411 2.044 0.624 1.00 0.00 O ATOM 0 H ASP A 64 11.561 5.812 1.089 1.00 0.00 H new ATOM 0 HA ASP A 64 10.214 4.179 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.314 3.146 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.740 2.435 2.317 1.00 0.00 H new ATOM 966 N CYS A 65 8.228 4.304 2.709 1.00 0.00 N ATOM 967 CA CYS A 65 6.819 4.571 3.075 1.00 0.00 C ATOM 968 C CYS A 65 6.319 5.851 2.393 1.00 0.00 C ATOM 969 O CYS A 65 5.138 6.020 2.169 1.00 0.00 O ATOM 970 CB CYS A 65 6.858 4.748 4.593 1.00 0.00 C ATOM 971 SG CYS A 65 6.612 3.148 5.401 1.00 0.00 S ATOM 0 H CYS A 65 8.815 3.971 3.474 1.00 0.00 H new ATOM 0 HA CYS A 65 6.144 3.774 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.815 5.175 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.083 5.448 4.907 1.00 0.00 H new ATOM 976 N ASN A 66 7.212 6.750 2.063 1.00 0.00 N ATOM 977 CA ASN A 66 6.800 8.022 1.393 1.00 0.00 C ATOM 978 C ASN A 66 5.661 7.765 0.402 1.00 0.00 C ATOM 979 O ASN A 66 4.828 8.643 0.248 1.00 0.00 O ATOM 980 CB ASN A 66 8.052 8.493 0.652 1.00 0.00 C ATOM 981 CG ASN A 66 8.323 9.961 0.983 1.00 0.00 C ATOM 982 OD1 ASN A 66 8.039 10.413 2.075 1.00 0.00 O ATOM 983 ND2 ASN A 66 8.867 10.731 0.081 1.00 0.00 N ATOM 984 OXT ASN A 66 5.642 6.697 -0.185 1.00 0.00 O ATOM 0 H ASN A 66 8.214 6.657 2.230 1.00 0.00 H new ATOM 0 HA ASN A 66 6.435 8.762 2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.908 7.881 0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.918 8.371 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.054 11.711 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.106 10.353 -0.836 1.00 0.00 H new TER 991 ASN A 66