USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 320 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 33 SER OG : rot -138:sc= 0.0504 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 167:sc= 0.0427 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0238) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0608 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.2 K(o=1.2,f=-5.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00694 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.604 11.482 0.424 1.00 0.00 N ATOM 2 CA LYS A 1 -15.564 10.062 0.871 1.00 0.00 C ATOM 3 C LYS A 1 -14.122 9.535 0.916 1.00 0.00 C ATOM 4 O LYS A 1 -13.411 9.572 -0.090 1.00 0.00 O ATOM 5 CB LYS A 1 -16.508 9.140 0.052 1.00 0.00 C ATOM 6 CG LYS A 1 -16.330 9.115 -1.486 1.00 0.00 C ATOM 7 CD LYS A 1 -17.302 10.015 -2.271 1.00 0.00 C ATOM 8 CE LYS A 1 -18.723 9.433 -2.306 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.637 10.273 -3.124 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.590 11.812 0.403 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.057 12.070 1.085 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.193 11.558 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.952 10.041 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.386 8.122 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.535 9.435 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.309 9.416 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.449 8.089 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.327 11.005 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.937 10.141 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.693 8.423 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.110 9.355 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.588 9.851 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.684 11.230 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.280 10.326 -4.099 1.00 0.00 H new ATOM 25 N LYS A 2 -13.658 9.057 2.081 1.00 0.00 N ATOM 26 CA LYS A 2 -12.304 8.495 2.295 1.00 0.00 C ATOM 27 C LYS A 2 -12.205 7.040 1.798 1.00 0.00 C ATOM 28 O LYS A 2 -12.198 6.098 2.594 1.00 0.00 O ATOM 29 CB LYS A 2 -11.904 8.630 3.779 1.00 0.00 C ATOM 30 CG LYS A 2 -11.644 10.088 4.188 1.00 0.00 C ATOM 31 CD LYS A 2 -11.226 10.176 5.663 1.00 0.00 C ATOM 32 CE LYS A 2 -10.849 11.617 6.026 1.00 0.00 C ATOM 33 NZ LYS A 2 -10.455 11.737 7.454 1.00 0.00 N ATOM 0 H LYS A 2 -14.226 9.048 2.928 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.594 9.069 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.695 8.216 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.008 8.038 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.862 10.513 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.543 10.682 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.042 9.835 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.380 9.514 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.027 11.949 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.693 12.276 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.207 12.725 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.248 11.443 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.634 11.127 7.640 1.00 0.00 H new ATOM 47 N VAL A 3 -12.144 6.858 0.475 1.00 0.00 N ATOM 48 CA VAL A 3 -12.044 5.550 -0.208 1.00 0.00 C ATOM 49 C VAL A 3 -11.028 5.617 -1.356 1.00 0.00 C ATOM 50 O VAL A 3 -11.150 6.443 -2.263 1.00 0.00 O ATOM 51 CB VAL A 3 -13.412 5.070 -0.740 1.00 0.00 C ATOM 52 CG1 VAL A 3 -13.323 3.640 -1.293 1.00 0.00 C ATOM 53 CG2 VAL A 3 -14.505 5.068 0.340 1.00 0.00 C ATOM 0 H VAL A 3 -12.163 7.641 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.702 4.826 0.532 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.677 5.779 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.302 3.330 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.603 3.610 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -13.001 2.963 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.443 4.722 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -14.213 4.403 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.635 6.078 0.728 1.00 0.00 H new ATOM 63 N CYS A 4 -10.029 4.735 -1.320 1.00 0.00 N ATOM 64 CA CYS A 4 -9.034 4.537 -2.381 1.00 0.00 C ATOM 65 C CYS A 4 -9.682 3.859 -3.609 1.00 0.00 C ATOM 66 O CYS A 4 -10.095 2.701 -3.526 1.00 0.00 O ATOM 67 CB CYS A 4 -7.877 3.674 -1.840 1.00 0.00 C ATOM 68 SG CYS A 4 -7.170 4.162 -0.239 1.00 0.00 S ATOM 0 H CYS A 4 -9.883 4.115 -0.523 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.645 5.506 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.230 2.646 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -7.077 3.677 -2.580 1.00 0.00 H new ATOM 73 N ALA A 5 -9.767 4.543 -4.755 1.00 0.00 N ATOM 74 CA ALA A 5 -10.321 4.032 -6.024 1.00 0.00 C ATOM 75 C ALA A 5 -9.413 2.997 -6.749 1.00 0.00 C ATOM 76 O ALA A 5 -9.311 2.982 -7.981 1.00 0.00 O ATOM 77 CB ALA A 5 -10.668 5.244 -6.904 1.00 0.00 C ATOM 0 H ALA A 5 -9.440 5.506 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.220 3.456 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.081 4.899 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -11.403 5.866 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.767 5.827 -7.092 1.00 0.00 H new ATOM 83 N CYS A 6 -8.718 2.148 -5.989 1.00 0.00 N ATOM 84 CA CYS A 6 -7.781 1.124 -6.459 1.00 0.00 C ATOM 85 C CYS A 6 -8.444 0.003 -7.298 1.00 0.00 C ATOM 86 O CYS A 6 -9.656 -0.221 -7.183 1.00 0.00 O ATOM 87 CB CYS A 6 -7.076 0.549 -5.217 1.00 0.00 C ATOM 88 SG CYS A 6 -5.856 1.672 -4.483 1.00 0.00 S ATOM 0 H CYS A 6 -8.798 2.157 -4.972 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.070 1.589 -7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.827 0.302 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.580 -0.382 -5.491 1.00 0.00 H new ATOM 93 N PRO A 7 -7.667 -0.732 -8.125 1.00 0.00 N ATOM 94 CA PRO A 7 -8.187 -1.811 -8.970 1.00 0.00 C ATOM 95 C PRO A 7 -8.608 -3.050 -8.162 1.00 0.00 C ATOM 96 O PRO A 7 -8.129 -3.284 -7.047 1.00 0.00 O ATOM 97 CB PRO A 7 -7.052 -2.131 -9.952 1.00 0.00 C ATOM 98 CG PRO A 7 -5.792 -1.775 -9.168 1.00 0.00 C ATOM 99 CD PRO A 7 -6.238 -0.559 -8.360 1.00 0.00 C ATOM 0 HA PRO A 7 -9.098 -1.502 -9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.059 -3.181 -10.245 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.135 -1.544 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.470 -2.594 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.957 -1.540 -9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.693 -0.496 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.042 0.364 -8.905 1.00 0.00 H new ATOM 107 N LYS A 8 -9.471 -3.882 -8.760 1.00 0.00 N ATOM 108 CA LYS A 8 -9.948 -5.164 -8.200 1.00 0.00 C ATOM 109 C LYS A 8 -8.872 -6.266 -8.192 1.00 0.00 C ATOM 110 O LYS A 8 -8.970 -7.226 -7.427 1.00 0.00 O ATOM 111 CB LYS A 8 -11.195 -5.608 -8.993 1.00 0.00 C ATOM 112 CG LYS A 8 -12.083 -6.587 -8.208 1.00 0.00 C ATOM 113 CD LYS A 8 -13.286 -7.039 -9.048 1.00 0.00 C ATOM 114 CE LYS A 8 -14.323 -7.819 -8.224 1.00 0.00 C ATOM 115 NZ LYS A 8 -13.788 -9.098 -7.685 1.00 0.00 N ATOM 0 H LYS A 8 -9.872 -3.680 -9.676 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.200 -5.004 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.781 -4.729 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.879 -6.078 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.496 -7.456 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.434 -6.111 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.763 -6.165 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.936 -7.664 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.666 -7.197 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.192 -8.028 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.529 -9.581 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.485 -9.707 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.975 -8.901 -7.067 1.00 0.00 H new ATOM 129 N ILE A 9 -7.844 -6.125 -9.035 1.00 0.00 N ATOM 130 CA ILE A 9 -6.716 -7.057 -9.196 1.00 0.00 C ATOM 131 C ILE A 9 -5.982 -7.269 -7.862 1.00 0.00 C ATOM 132 O ILE A 9 -5.611 -6.310 -7.182 1.00 0.00 O ATOM 133 CB ILE A 9 -5.736 -6.542 -10.276 1.00 0.00 C ATOM 134 CG1 ILE A 9 -6.413 -6.212 -11.629 1.00 0.00 C ATOM 135 CG2 ILE A 9 -4.572 -7.525 -10.500 1.00 0.00 C ATOM 136 CD1 ILE A 9 -7.167 -7.372 -12.295 1.00 0.00 C ATOM 0 H ILE A 9 -7.769 -5.319 -9.656 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.116 -8.018 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.347 -5.604 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.112 -5.390 -11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.649 -5.855 -12.320 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.904 -7.130 -11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.020 -7.654 -9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.966 -8.488 -10.825 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.602 -7.031 -13.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.475 -8.191 -12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.960 -7.718 -11.633 1.00 0.00 H new ATOM 148 N LEU A 10 -5.754 -8.535 -7.511 1.00 0.00 N ATOM 149 CA LEU A 10 -5.009 -8.964 -6.324 1.00 0.00 C ATOM 150 C LEU A 10 -3.519 -9.197 -6.632 1.00 0.00 C ATOM 151 O LEU A 10 -3.168 -9.864 -7.607 1.00 0.00 O ATOM 152 CB LEU A 10 -5.687 -10.196 -5.679 1.00 0.00 C ATOM 153 CG LEU A 10 -5.477 -11.579 -6.337 1.00 0.00 C ATOM 154 CD1 LEU A 10 -6.156 -12.651 -5.484 1.00 0.00 C ATOM 155 CD2 LEU A 10 -6.056 -11.686 -7.751 1.00 0.00 C ATOM 0 H LEU A 10 -6.095 -9.320 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.035 -8.156 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.341 -10.263 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.759 -10.004 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.398 -11.718 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.011 -13.628 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.720 -12.652 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.223 -12.438 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.869 -12.685 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.130 -11.503 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.581 -10.946 -8.396 1.00 0.00 H new ATOM 167 N LYS A 11 -2.651 -8.673 -5.763 1.00 0.00 N ATOM 168 CA LYS A 11 -1.213 -8.968 -5.665 1.00 0.00 C ATOM 169 C LYS A 11 -0.790 -8.945 -4.184 1.00 0.00 C ATOM 170 O LYS A 11 -0.281 -7.922 -3.722 1.00 0.00 O ATOM 171 CB LYS A 11 -0.380 -7.993 -6.527 1.00 0.00 C ATOM 172 CG LYS A 11 -0.401 -8.355 -8.020 1.00 0.00 C ATOM 173 CD LYS A 11 0.704 -7.616 -8.793 1.00 0.00 C ATOM 174 CE LYS A 11 0.780 -8.057 -10.262 1.00 0.00 C ATOM 175 NZ LYS A 11 1.298 -9.446 -10.409 1.00 0.00 N ATOM 0 H LYS A 11 -2.948 -7.990 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.020 -9.965 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.764 -6.981 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.651 -7.991 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.271 -9.431 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.373 -8.103 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.521 -6.542 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.665 -7.797 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.211 -7.992 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.424 -7.371 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.412 -9.669 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.218 -9.526 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.626 -10.114 -9.980 1.00 0.00 H new ATOM 189 N PRO A 12 -1.016 -10.036 -3.422 1.00 0.00 N ATOM 190 CA PRO A 12 -0.633 -10.131 -2.013 1.00 0.00 C ATOM 191 C PRO A 12 0.891 -10.251 -1.839 1.00 0.00 C ATOM 192 O PRO A 12 1.453 -11.344 -1.737 1.00 0.00 O ATOM 193 CB PRO A 12 -1.414 -11.320 -1.452 1.00 0.00 C ATOM 194 CG PRO A 12 -1.592 -12.230 -2.668 1.00 0.00 C ATOM 195 CD PRO A 12 -1.733 -11.240 -3.826 1.00 0.00 C ATOM 0 HA PRO A 12 -0.883 -9.226 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.867 -11.820 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.373 -11.011 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.736 -12.891 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.473 -12.865 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.314 -11.653 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.782 -11.020 -4.025 1.00 0.00 H new ATOM 203 N VAL A 13 1.565 -9.101 -1.820 1.00 0.00 N ATOM 204 CA VAL A 13 3.018 -8.932 -1.732 1.00 0.00 C ATOM 205 C VAL A 13 3.462 -8.334 -0.391 1.00 0.00 C ATOM 206 O VAL A 13 2.650 -7.805 0.375 1.00 0.00 O ATOM 207 CB VAL A 13 3.526 -8.070 -2.903 1.00 0.00 C ATOM 208 CG1 VAL A 13 3.253 -8.723 -4.262 1.00 0.00 C ATOM 209 CG2 VAL A 13 2.960 -6.643 -2.920 1.00 0.00 C ATOM 0 H VAL A 13 1.081 -8.205 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 13 3.461 -9.926 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 13 4.601 -8.001 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.629 -8.079 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.756 -9.689 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.180 -8.866 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.366 -6.101 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.874 -6.683 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.238 -6.130 -1.999 1.00 0.00 H new ATOM 219 N CYS A 14 4.767 -8.400 -0.117 1.00 0.00 N ATOM 220 CA CYS A 14 5.385 -7.818 1.071 1.00 0.00 C ATOM 221 C CYS A 14 5.533 -6.286 0.953 1.00 0.00 C ATOM 222 O CYS A 14 6.049 -5.770 -0.042 1.00 0.00 O ATOM 223 CB CYS A 14 6.732 -8.510 1.330 1.00 0.00 C ATOM 224 SG CYS A 14 7.941 -8.468 -0.027 1.00 0.00 S ATOM 0 H CYS A 14 5.435 -8.869 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 14 4.733 -7.988 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.188 -8.051 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.537 -9.553 1.581 1.00 0.00 H new ATOM 0 HG CYS A 14 9.024 -9.087 0.338 1.00 0.00 H new ATOM 229 N GLY A 15 5.102 -5.558 1.984 1.00 0.00 N ATOM 230 CA GLY A 15 5.372 -4.129 2.174 1.00 0.00 C ATOM 231 C GLY A 15 6.671 -3.889 2.954 1.00 0.00 C ATOM 232 O GLY A 15 7.141 -4.772 3.678 1.00 0.00 O ATOM 0 H GLY A 15 4.538 -5.957 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.437 -3.640 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.539 -3.670 2.707 1.00 0.00 H new ATOM 236 N SER A 16 7.239 -2.684 2.848 1.00 0.00 N ATOM 237 CA SER A 16 8.568 -2.330 3.385 1.00 0.00 C ATOM 238 C SER A 16 8.729 -2.503 4.906 1.00 0.00 C ATOM 239 O SER A 16 9.837 -2.750 5.386 1.00 0.00 O ATOM 240 CB SER A 16 8.930 -0.896 2.966 1.00 0.00 C ATOM 241 OG SER A 16 8.028 0.060 3.502 1.00 0.00 O ATOM 0 H SER A 16 6.781 -1.905 2.376 1.00 0.00 H new ATOM 0 HA SER A 16 9.262 -3.049 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.942 -0.666 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.929 -0.825 1.878 1.00 0.00 H new ATOM 0 HG SER A 16 8.294 0.958 3.214 1.00 0.00 H new ATOM 247 N ASP A 17 7.635 -2.421 5.672 1.00 0.00 N ATOM 248 CA ASP A 17 7.598 -2.632 7.130 1.00 0.00 C ATOM 249 C ASP A 17 7.542 -4.117 7.561 1.00 0.00 C ATOM 250 O ASP A 17 7.563 -4.413 8.759 1.00 0.00 O ATOM 251 CB ASP A 17 6.406 -1.851 7.711 1.00 0.00 C ATOM 252 CG ASP A 17 6.643 -0.332 7.679 1.00 0.00 C ATOM 253 OD1 ASP A 17 7.538 0.157 8.414 1.00 0.00 O ATOM 254 OD2 ASP A 17 5.926 0.383 6.938 1.00 0.00 O ATOM 0 H ASP A 17 6.718 -2.199 5.284 1.00 0.00 H new ATOM 0 HA ASP A 17 8.541 -2.261 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.506 -2.090 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.230 -2.169 8.739 1.00 0.00 H new ATOM 259 N GLY A 18 7.475 -5.064 6.615 1.00 0.00 N ATOM 260 CA GLY A 18 7.338 -6.508 6.879 1.00 0.00 C ATOM 261 C GLY A 18 5.875 -6.968 6.968 1.00 0.00 C ATOM 262 O GLY A 18 5.544 -7.879 7.733 1.00 0.00 O ATOM 0 H GLY A 18 7.515 -4.844 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.840 -7.065 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.846 -6.751 7.812 1.00 0.00 H new ATOM 266 N ARG A 19 4.995 -6.299 6.214 1.00 0.00 N ATOM 267 CA ARG A 19 3.522 -6.398 6.239 1.00 0.00 C ATOM 268 C ARG A 19 2.986 -6.970 4.919 1.00 0.00 C ATOM 269 O ARG A 19 3.744 -7.112 3.960 1.00 0.00 O ATOM 270 CB ARG A 19 2.964 -4.985 6.515 1.00 0.00 C ATOM 271 CG ARG A 19 3.357 -4.406 7.889 1.00 0.00 C ATOM 272 CD ARG A 19 2.455 -4.889 9.035 1.00 0.00 C ATOM 273 NE ARG A 19 1.092 -4.319 8.957 1.00 0.00 N ATOM 274 CZ ARG A 19 0.692 -3.123 9.357 1.00 0.00 C ATOM 275 NH1 ARG A 19 1.506 -2.263 9.902 1.00 0.00 N ATOM 276 NH2 ARG A 19 -0.552 -2.762 9.218 1.00 0.00 N ATOM 0 H ARG A 19 5.312 -5.624 5.518 1.00 0.00 H new ATOM 0 HA ARG A 19 3.199 -7.083 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.315 -4.309 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.877 -5.016 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.389 -4.680 8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.319 -3.318 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.393 -5.977 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.906 -4.616 9.989 1.00 0.00 H new ATOM 0 HE ARG A 19 0.376 -4.919 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.489 -2.503 10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.160 -1.350 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.225 -3.403 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.853 -1.838 9.529 1.00 0.00 H new ATOM 290 N THR A 20 1.687 -7.268 4.845 1.00 0.00 N ATOM 291 CA THR A 20 1.012 -7.804 3.641 1.00 0.00 C ATOM 292 C THR A 20 -0.232 -6.977 3.303 1.00 0.00 C ATOM 293 O THR A 20 -1.039 -6.685 4.189 1.00 0.00 O ATOM 294 CB THR A 20 0.625 -9.286 3.828 1.00 0.00 C ATOM 295 OG1 THR A 20 1.745 -10.053 4.225 1.00 0.00 O ATOM 296 CG2 THR A 20 0.108 -9.927 2.537 1.00 0.00 C ATOM 0 H THR A 20 1.053 -7.144 5.634 1.00 0.00 H new ATOM 0 HA THR A 20 1.717 -7.736 2.812 1.00 0.00 H new ATOM 0 HB THR A 20 -0.158 -9.285 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.477 -10.989 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.149 -10.969 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.777 -9.391 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.882 -9.878 1.771 1.00 0.00 H new ATOM 304 N TYR A 21 -0.396 -6.616 2.026 1.00 0.00 N ATOM 305 CA TYR A 21 -1.502 -5.790 1.513 1.00 0.00 C ATOM 306 C TYR A 21 -2.085 -6.349 0.213 1.00 0.00 C ATOM 307 O TYR A 21 -1.413 -7.087 -0.508 1.00 0.00 O ATOM 308 CB TYR A 21 -1.001 -4.351 1.307 1.00 0.00 C ATOM 309 CG TYR A 21 -0.465 -3.685 2.559 1.00 0.00 C ATOM 310 CD1 TYR A 21 -1.360 -3.193 3.530 1.00 0.00 C ATOM 311 CD2 TYR A 21 0.924 -3.587 2.768 1.00 0.00 C ATOM 312 CE1 TYR A 21 -0.868 -2.620 4.719 1.00 0.00 C ATOM 313 CE2 TYR A 21 1.418 -3.007 3.952 1.00 0.00 C ATOM 314 CZ TYR A 21 0.524 -2.534 4.936 1.00 0.00 C ATOM 315 OH TYR A 21 1.008 -2.003 6.091 1.00 0.00 O ATOM 0 H TYR A 21 0.257 -6.898 1.295 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.307 -5.801 2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.216 -4.358 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.819 -3.748 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.425 -3.255 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.610 -3.957 2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.555 -2.247 5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.484 -2.924 4.107 1.00 0.00 H new ATOM 0 HH TYR A 21 1.988 -2.022 6.075 1.00 0.00 H new ATOM 325 N ALA A 22 -3.347 -6.009 -0.079 1.00 0.00 N ATOM 326 CA ALA A 22 -4.120 -6.680 -1.125 1.00 0.00 C ATOM 327 C ALA A 22 -3.550 -6.468 -2.543 1.00 0.00 C ATOM 328 O ALA A 22 -3.503 -7.409 -3.338 1.00 0.00 O ATOM 329 CB ALA A 22 -5.589 -6.247 -1.039 1.00 0.00 C ATOM 0 H ALA A 22 -3.855 -5.266 0.401 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.047 -7.752 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.162 -6.748 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.991 -6.517 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.659 -5.168 -1.174 1.00 0.00 H new ATOM 335 N ASN A 23 -3.098 -5.248 -2.854 1.00 0.00 N ATOM 336 CA ASN A 23 -2.248 -4.926 -4.007 1.00 0.00 C ATOM 337 C ASN A 23 -1.293 -3.744 -3.717 1.00 0.00 C ATOM 338 O ASN A 23 -1.286 -3.173 -2.624 1.00 0.00 O ATOM 339 CB ASN A 23 -3.138 -4.716 -5.254 1.00 0.00 C ATOM 340 CG ASN A 23 -4.209 -3.649 -5.097 1.00 0.00 C ATOM 341 OD1 ASN A 23 -4.011 -2.609 -4.485 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.369 -3.872 -5.665 1.00 0.00 N ATOM 0 H ASN A 23 -3.322 -4.428 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.585 -5.766 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.501 -4.451 -6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.620 -5.661 -5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.112 -3.176 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.529 -4.741 -6.174 1.00 0.00 H new ATOM 349 N SER A 24 -0.467 -3.368 -4.697 1.00 0.00 N ATOM 350 CA SER A 24 0.455 -2.221 -4.610 1.00 0.00 C ATOM 351 C SER A 24 -0.259 -0.872 -4.435 1.00 0.00 C ATOM 352 O SER A 24 0.237 0.001 -3.720 1.00 0.00 O ATOM 353 CB SER A 24 1.340 -2.180 -5.862 1.00 0.00 C ATOM 354 OG SER A 24 0.538 -2.182 -7.035 1.00 0.00 O ATOM 0 H SER A 24 -0.416 -3.857 -5.590 1.00 0.00 H new ATOM 0 HA SER A 24 1.058 -2.370 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.966 -1.288 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.010 -3.040 -5.870 1.00 0.00 H new ATOM 0 HG SER A 24 1.116 -2.154 -7.826 1.00 0.00 H new ATOM 360 N CYS A 25 -1.442 -0.703 -5.035 1.00 0.00 N ATOM 361 CA CYS A 25 -2.257 0.509 -4.927 1.00 0.00 C ATOM 362 C CYS A 25 -2.700 0.773 -3.486 1.00 0.00 C ATOM 363 O CYS A 25 -2.446 1.848 -2.941 1.00 0.00 O ATOM 364 CB CYS A 25 -3.472 0.387 -5.849 1.00 0.00 C ATOM 365 SG CYS A 25 -4.480 1.889 -5.974 1.00 0.00 S ATOM 0 H CYS A 25 -1.868 -1.421 -5.621 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.647 1.359 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.128 0.112 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.101 -0.428 -5.493 1.00 0.00 H new ATOM 370 N ILE A 26 -3.354 -0.211 -2.859 1.00 0.00 N ATOM 371 CA ILE A 26 -3.818 -0.070 -1.470 1.00 0.00 C ATOM 372 C ILE A 26 -2.656 0.158 -0.488 1.00 0.00 C ATOM 373 O ILE A 26 -2.793 0.969 0.426 1.00 0.00 O ATOM 374 CB ILE A 26 -4.763 -1.220 -1.041 1.00 0.00 C ATOM 375 CG1 ILE A 26 -5.601 -0.877 0.212 1.00 0.00 C ATOM 376 CG2 ILE A 26 -4.024 -2.526 -0.752 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.511 0.349 0.066 1.00 0.00 C ATOM 0 H ILE A 26 -3.574 -1.110 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.423 0.836 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.420 -1.351 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.217 -1.740 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.924 -0.711 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.741 -3.292 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.495 -2.850 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.308 -2.368 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.058 0.509 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.905 1.228 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.218 0.183 -0.747 1.00 0.00 H new ATOM 389 N ALA A 27 -1.490 -0.465 -0.712 1.00 0.00 N ATOM 390 CA ALA A 27 -0.268 -0.206 0.057 1.00 0.00 C ATOM 391 C ALA A 27 0.166 1.273 -0.033 1.00 0.00 C ATOM 392 O ALA A 27 0.340 1.931 0.999 1.00 0.00 O ATOM 393 CB ALA A 27 0.834 -1.165 -0.413 1.00 0.00 C ATOM 0 H ALA A 27 -1.369 -1.169 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.465 -0.392 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.746 -0.978 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.513 -2.194 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.028 -1.005 -1.474 1.00 0.00 H new ATOM 399 N ARG A 28 0.272 1.820 -1.255 1.00 0.00 N ATOM 400 CA ARG A 28 0.568 3.244 -1.515 1.00 0.00 C ATOM 401 C ARG A 28 -0.451 4.187 -0.874 1.00 0.00 C ATOM 402 O ARG A 28 -0.056 5.162 -0.234 1.00 0.00 O ATOM 403 CB ARG A 28 0.680 3.504 -3.028 1.00 0.00 C ATOM 404 CG ARG A 28 1.987 2.950 -3.620 1.00 0.00 C ATOM 405 CD ARG A 28 2.041 3.121 -5.146 1.00 0.00 C ATOM 406 NE ARG A 28 1.993 4.541 -5.561 1.00 0.00 N ATOM 407 CZ ARG A 28 2.991 5.405 -5.633 1.00 0.00 C ATOM 408 NH1 ARG A 28 4.219 5.076 -5.347 1.00 0.00 N ATOM 409 NH2 ARG A 28 2.772 6.637 -5.995 1.00 0.00 N ATOM 0 H ARG A 28 0.152 1.276 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 28 1.528 3.460 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.169 3.047 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.625 4.576 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.836 3.461 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.080 1.893 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.955 2.666 -5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.206 2.586 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 28 1.074 4.898 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.437 4.123 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.962 5.771 -5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.826 6.940 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.547 7.298 -6.048 1.00 0.00 H new ATOM 423 N CYS A 29 -1.747 3.893 -1.008 1.00 0.00 N ATOM 424 CA CYS A 29 -2.827 4.673 -0.396 1.00 0.00 C ATOM 425 C CYS A 29 -2.754 4.664 1.147 1.00 0.00 C ATOM 426 O CYS A 29 -2.954 5.699 1.789 1.00 0.00 O ATOM 427 CB CYS A 29 -4.185 4.139 -0.881 1.00 0.00 C ATOM 428 SG CYS A 29 -5.550 5.321 -0.671 1.00 0.00 S ATOM 0 H CYS A 29 -2.080 3.097 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.711 5.711 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.106 3.872 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.421 3.224 -0.338 1.00 0.00 H new ATOM 433 N ASN A 30 -2.440 3.508 1.748 1.00 0.00 N ATOM 434 CA ASN A 30 -2.292 3.325 3.195 1.00 0.00 C ATOM 435 C ASN A 30 -1.073 4.067 3.781 1.00 0.00 C ATOM 436 O ASN A 30 -1.181 4.670 4.852 1.00 0.00 O ATOM 437 CB ASN A 30 -2.224 1.816 3.493 1.00 0.00 C ATOM 438 CG ASN A 30 -2.181 1.535 4.987 1.00 0.00 C ATOM 439 OD1 ASN A 30 -3.118 1.812 5.722 1.00 0.00 O ATOM 440 ND2 ASN A 30 -1.102 0.978 5.490 1.00 0.00 N ATOM 0 H ASN A 30 -2.277 2.649 1.223 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.160 3.768 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.090 1.320 3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.340 1.392 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.049 0.779 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.317 0.745 4.881 1.00 0.00 H new ATOM 447 N GLY A 31 0.078 4.032 3.093 1.00 0.00 N ATOM 448 CA GLY A 31 1.314 4.723 3.498 1.00 0.00 C ATOM 449 C GLY A 31 2.609 3.899 3.407 1.00 0.00 C ATOM 450 O GLY A 31 3.567 4.201 4.121 1.00 0.00 O ATOM 0 H GLY A 31 0.179 3.512 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.429 5.612 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.196 5.064 4.527 1.00 0.00 H new ATOM 454 N VAL A 32 2.656 2.861 2.566 1.00 0.00 N ATOM 455 CA VAL A 32 3.781 1.939 2.368 1.00 0.00 C ATOM 456 C VAL A 32 4.141 1.929 0.879 1.00 0.00 C ATOM 457 O VAL A 32 3.305 2.192 0.015 1.00 0.00 O ATOM 458 CB VAL A 32 3.403 0.523 2.862 1.00 0.00 C ATOM 459 CG1 VAL A 32 4.567 -0.474 2.816 1.00 0.00 C ATOM 460 CG2 VAL A 32 2.898 0.549 4.313 1.00 0.00 C ATOM 0 H VAL A 32 1.863 2.627 1.969 1.00 0.00 H new ATOM 0 HA VAL A 32 4.646 2.267 2.945 1.00 0.00 H new ATOM 0 HB VAL A 32 2.623 0.197 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.229 -1.445 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.922 -0.571 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.379 -0.115 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.641 -0.463 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.679 0.944 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.015 1.184 4.380 1.00 0.00 H new ATOM 470 N SER A 33 5.388 1.604 0.567 1.00 0.00 N ATOM 471 CA SER A 33 5.895 1.457 -0.807 1.00 0.00 C ATOM 472 C SER A 33 6.771 0.212 -0.989 1.00 0.00 C ATOM 473 O SER A 33 7.180 -0.426 -0.018 1.00 0.00 O ATOM 474 CB SER A 33 6.599 2.745 -1.272 1.00 0.00 C ATOM 475 OG SER A 33 7.781 3.054 -0.544 1.00 0.00 O ATOM 0 H SER A 33 6.101 1.429 1.275 1.00 0.00 H new ATOM 0 HA SER A 33 5.032 1.300 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.850 2.648 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.903 3.579 -1.185 1.00 0.00 H new ATOM 0 HG SER A 33 7.809 4.016 -0.358 1.00 0.00 H new ATOM 481 N ILE A 34 7.045 -0.139 -2.251 1.00 0.00 N ATOM 482 CA ILE A 34 7.728 -1.389 -2.652 1.00 0.00 C ATOM 483 C ILE A 34 8.961 -1.115 -3.545 1.00 0.00 C ATOM 484 O ILE A 34 9.786 -1.998 -3.779 1.00 0.00 O ATOM 485 CB ILE A 34 6.716 -2.392 -3.288 1.00 0.00 C ATOM 486 CG1 ILE A 34 5.288 -2.276 -2.682 1.00 0.00 C ATOM 487 CG2 ILE A 34 7.229 -3.838 -3.118 1.00 0.00 C ATOM 488 CD1 ILE A 34 4.247 -3.242 -3.254 1.00 0.00 C ATOM 0 H ILE A 34 6.794 0.448 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 34 8.122 -1.866 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 34 6.643 -2.136 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.355 -2.437 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.932 -1.257 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.517 -4.532 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.195 -3.942 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.338 -4.063 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.288 -3.076 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.140 -3.070 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.570 -4.269 -3.082 1.00 0.00 H new ATOM 500 N LYS A 35 9.145 0.142 -3.981 1.00 0.00 N ATOM 501 CA LYS A 35 10.310 0.645 -4.740 1.00 0.00 C ATOM 502 C LYS A 35 11.644 0.503 -3.986 1.00 0.00 C ATOM 503 O LYS A 35 12.695 0.330 -4.604 1.00 0.00 O ATOM 504 CB LYS A 35 10.055 2.109 -5.160 1.00 0.00 C ATOM 505 CG LYS A 35 10.088 3.110 -3.988 1.00 0.00 C ATOM 506 CD LYS A 35 9.677 4.525 -4.422 1.00 0.00 C ATOM 507 CE LYS A 35 9.959 5.564 -3.324 1.00 0.00 C ATOM 508 NZ LYS A 35 9.104 5.385 -2.118 1.00 0.00 N ATOM 0 H LYS A 35 8.455 0.873 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 35 10.414 0.020 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.804 2.401 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.084 2.172 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.420 2.765 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.092 3.139 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.217 4.798 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.615 4.536 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.007 5.500 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.801 6.564 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.480 5.960 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.132 5.687 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.101 4.383 -1.840 1.00 0.00 H new ATOM 522 N SER A 36 11.594 0.579 -2.655 1.00 0.00 N ATOM 523 CA SER A 36 12.735 0.481 -1.736 1.00 0.00 C ATOM 524 C SER A 36 13.071 -0.989 -1.449 1.00 0.00 C ATOM 525 O SER A 36 12.636 -1.571 -0.454 1.00 0.00 O ATOM 526 CB SER A 36 12.434 1.238 -0.438 1.00 0.00 C ATOM 527 OG SER A 36 12.101 2.593 -0.713 1.00 0.00 O ATOM 0 H SER A 36 10.712 0.718 -2.161 1.00 0.00 H new ATOM 0 HA SER A 36 13.605 0.939 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.610 0.755 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.301 1.198 0.222 1.00 0.00 H new ATOM 0 HG SER A 36 11.910 3.060 0.127 1.00 0.00 H new ATOM 533 N GLU A 37 13.838 -1.600 -2.351 1.00 0.00 N ATOM 534 CA GLU A 37 14.241 -3.016 -2.326 1.00 0.00 C ATOM 535 C GLU A 37 15.761 -3.205 -2.516 1.00 0.00 C ATOM 536 O GLU A 37 16.465 -2.292 -2.959 1.00 0.00 O ATOM 537 CB GLU A 37 13.416 -3.803 -3.366 1.00 0.00 C ATOM 538 CG GLU A 37 13.752 -3.457 -4.827 1.00 0.00 C ATOM 539 CD GLU A 37 12.776 -4.118 -5.825 1.00 0.00 C ATOM 540 OE1 GLU A 37 12.533 -5.346 -5.735 1.00 0.00 O ATOM 541 OE2 GLU A 37 12.261 -3.415 -6.729 1.00 0.00 O ATOM 0 H GLU A 37 14.215 -1.104 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 37 14.026 -3.417 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.578 -4.870 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.357 -3.612 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.724 -2.375 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.769 -3.779 -5.050 1.00 0.00 H new ATOM 548 N GLY A 38 16.275 -4.394 -2.175 1.00 0.00 N ATOM 549 CA GLY A 38 17.716 -4.696 -2.170 1.00 0.00 C ATOM 550 C GLY A 38 18.262 -5.283 -3.481 1.00 0.00 C ATOM 551 O GLY A 38 19.443 -5.103 -3.791 1.00 0.00 O ATOM 0 H GLY A 38 15.696 -5.184 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.263 -3.781 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.922 -5.398 -1.362 1.00 0.00 H new ATOM 555 N SER A 39 17.425 -5.982 -4.253 1.00 0.00 N ATOM 556 CA SER A 39 17.764 -6.565 -5.562 1.00 0.00 C ATOM 557 C SER A 39 17.609 -5.570 -6.725 1.00 0.00 C ATOM 558 O SER A 39 16.999 -4.507 -6.584 1.00 0.00 O ATOM 559 CB SER A 39 16.910 -7.824 -5.794 1.00 0.00 C ATOM 560 OG SER A 39 15.522 -7.585 -5.592 1.00 0.00 O ATOM 0 H SER A 39 16.460 -6.166 -3.978 1.00 0.00 H new ATOM 0 HA SER A 39 18.820 -6.833 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.069 -8.185 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.242 -8.613 -5.120 1.00 0.00 H new ATOM 0 HG SER A 39 15.021 -8.412 -5.752 1.00 0.00 H new ATOM 566 N CYS A 40 18.154 -5.913 -7.898 1.00 0.00 N ATOM 567 CA CYS A 40 18.040 -5.108 -9.121 1.00 0.00 C ATOM 568 C CYS A 40 16.575 -5.036 -9.622 1.00 0.00 C ATOM 569 O CYS A 40 15.949 -6.091 -9.782 1.00 0.00 O ATOM 570 CB CYS A 40 18.960 -5.708 -10.193 1.00 0.00 C ATOM 571 SG CYS A 40 19.085 -4.725 -11.710 1.00 0.00 S ATOM 0 H CYS A 40 18.694 -6.769 -8.027 1.00 0.00 H new ATOM 0 HA CYS A 40 18.347 -4.085 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 40 19.957 -5.830 -9.771 1.00 0.00 H new ATOM 0 HB3 CYS A 40 18.598 -6.704 -10.449 1.00 0.00 H new ATOM 0 HG CYS A 40 19.885 -5.317 -12.546 1.00 0.00 H new ATOM 576 N PRO A 41 16.005 -3.838 -9.884 1.00 0.00 N ATOM 577 CA PRO A 41 14.615 -3.672 -10.322 1.00 0.00 C ATOM 578 C PRO A 41 14.399 -4.153 -11.772 1.00 0.00 C ATOM 579 O PRO A 41 14.612 -3.409 -12.734 1.00 0.00 O ATOM 580 CB PRO A 41 14.305 -2.183 -10.121 1.00 0.00 C ATOM 581 CG PRO A 41 15.663 -1.508 -10.294 1.00 0.00 C ATOM 582 CD PRO A 41 16.633 -2.533 -9.710 1.00 0.00 C ATOM 0 HA PRO A 41 13.929 -4.290 -9.744 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.582 -1.822 -10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.884 -1.991 -9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.879 -1.299 -11.342 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.712 -0.558 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.595 -2.493 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 41 16.824 -2.331 -8.656 1.00 0.00 H new ATOM 590 N THR A 42 13.976 -5.412 -11.930 1.00 0.00 N ATOM 591 CA THR A 42 13.754 -6.100 -13.221 1.00 0.00 C ATOM 592 C THR A 42 12.468 -6.941 -13.179 1.00 0.00 C ATOM 593 O THR A 42 12.127 -7.504 -12.135 1.00 0.00 O ATOM 594 CB THR A 42 14.950 -7.020 -13.561 1.00 0.00 C ATOM 595 OG1 THR A 42 16.187 -6.366 -13.355 1.00 0.00 O ATOM 596 CG2 THR A 42 14.964 -7.472 -15.025 1.00 0.00 C ATOM 0 H THR A 42 13.768 -6.011 -11.131 1.00 0.00 H new ATOM 0 HA THR A 42 13.656 -5.334 -13.990 1.00 0.00 H new ATOM 0 HB THR A 42 14.826 -7.876 -12.898 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.921 -6.976 -13.578 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.827 -8.114 -15.199 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.050 -8.025 -15.244 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.025 -6.599 -15.675 1.00 0.00 H new ATOM 604 N GLY A 43 11.768 -7.067 -14.313 1.00 0.00 N ATOM 605 CA GLY A 43 10.622 -7.972 -14.499 1.00 0.00 C ATOM 606 C GLY A 43 9.521 -7.393 -15.394 1.00 0.00 C ATOM 607 O GLY A 43 9.222 -7.949 -16.456 1.00 0.00 O ATOM 0 H GLY A 43 11.987 -6.528 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.976 -8.908 -14.932 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.197 -8.212 -13.524 1.00 0.00 H new ATOM 611 N ILE A 44 8.916 -6.279 -14.960 1.00 0.00 N ATOM 612 CA ILE A 44 7.805 -5.557 -15.617 1.00 0.00 C ATOM 613 C ILE A 44 7.957 -4.028 -15.508 1.00 0.00 C ATOM 614 O ILE A 44 7.687 -3.335 -16.515 1.00 0.00 O ATOM 615 CB ILE A 44 6.445 -6.093 -15.107 1.00 0.00 C ATOM 616 CG1 ILE A 44 5.282 -5.506 -15.935 1.00 0.00 C ATOM 617 CG2 ILE A 44 6.246 -5.851 -13.598 1.00 0.00 C ATOM 618 CD1 ILE A 44 3.941 -6.216 -15.710 1.00 0.00 C ATOM 619 OXT ILE A 44 8.399 -3.529 -14.446 1.00 0.00 O ATOM 0 H ILE A 44 9.201 -5.827 -14.091 1.00 0.00 H new ATOM 0 HA ILE A 44 7.841 -5.758 -16.688 1.00 0.00 H new ATOM 0 HB ILE A 44 6.450 -7.174 -15.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.169 -4.450 -15.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.538 -5.560 -16.993 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.277 -6.245 -13.291 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.036 -6.355 -13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.284 -4.781 -13.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.173 -5.747 -16.326 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.035 -7.267 -15.985 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.660 -6.139 -14.660 1.00 0.00 H new TER 631 ILE A 44