USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 271 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot -178:sc= 1.24 USER MOD Single : A 1 GLU N :NH3+ -171:sc= -1.22 (180deg=-1.44) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.5) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 13 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= -0.438 (180deg=-1.81!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -0.221 (180deg=-1.57!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 34 GLN : amide:sc= -0.0283 X(o=-0.028,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.274 0.734 -2.052 1.00 0.00 N ATOM 2 CA GLU A 1 1.701 -0.377 -1.302 1.00 0.00 C ATOM 3 C GLU A 1 2.266 -1.710 -1.786 1.00 0.00 C ATOM 4 O GLU A 1 1.667 -2.765 -1.575 1.00 0.00 O ATOM 5 CB GLU A 1 0.176 -0.379 -1.434 1.00 0.00 C ATOM 6 CG GLU A 1 -0.470 0.940 -1.044 1.00 0.00 C ATOM 7 CD GLU A 1 -1.871 1.091 -1.602 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.009 1.613 -2.728 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.831 0.686 -0.913 1.00 0.00 O ATOM 0 H1 GLU A 1 1.995 1.633 -1.609 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.311 0.655 -2.051 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.925 0.708 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 1 1.967 -0.249 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.091 -0.614 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.233 -1.173 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.506 1.015 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.150 1.763 -1.400 1.00 0.00 H new ATOM 16 N CYS A 2 3.422 -1.653 -2.438 1.00 0.00 N ATOM 17 CA CYS A 2 4.069 -2.853 -2.954 1.00 0.00 C ATOM 18 C CYS A 2 5.386 -2.508 -3.643 1.00 0.00 C ATOM 19 O CYS A 2 5.811 -1.351 -3.651 1.00 0.00 O ATOM 20 CB CYS A 2 3.143 -3.576 -3.934 1.00 0.00 C ATOM 21 SG CYS A 2 2.331 -2.476 -5.139 1.00 0.00 S ATOM 0 H CYS A 2 3.930 -0.788 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 2 4.281 -3.511 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.719 -4.327 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.377 -4.107 -3.369 1.00 0.00 H new ATOM 26 N LEU A 3 6.027 -3.517 -4.222 1.00 0.00 N ATOM 27 CA LEU A 3 7.296 -3.321 -4.914 1.00 0.00 C ATOM 28 C LEU A 3 7.069 -2.805 -6.332 1.00 0.00 C ATOM 29 O LEU A 3 5.931 -2.690 -6.785 1.00 0.00 O ATOM 30 CB LEU A 3 8.084 -4.632 -4.957 1.00 0.00 C ATOM 31 CG LEU A 3 8.975 -4.919 -3.748 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.361 -4.339 -2.483 1.00 0.00 C ATOM 33 CD2 LEU A 3 9.200 -6.416 -3.595 1.00 0.00 C ATOM 0 H LEU A 3 5.689 -4.479 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 3 7.871 -2.576 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.377 -5.454 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.708 -4.628 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 3 9.941 -4.441 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.009 -4.553 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.252 -3.260 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.382 -4.788 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.836 -6.602 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.241 -6.916 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.684 -6.805 -4.491 1.00 0.00 H new ATOM 45 N GLU A 4 8.160 -2.497 -7.026 1.00 0.00 N ATOM 46 CA GLU A 4 8.079 -1.994 -8.392 1.00 0.00 C ATOM 47 C GLU A 4 8.831 -2.909 -9.354 1.00 0.00 C ATOM 48 O GLU A 4 9.391 -3.927 -8.948 1.00 0.00 O ATOM 49 CB GLU A 4 8.646 -0.575 -8.472 1.00 0.00 C ATOM 50 CG GLU A 4 9.997 -0.421 -7.795 1.00 0.00 C ATOM 51 CD GLU A 4 9.878 -0.009 -6.340 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.913 0.711 -6.006 1.00 0.00 O ATOM 53 OE2 GLU A 4 10.748 -0.405 -5.537 1.00 0.00 O ATOM 0 H GLU A 4 9.110 -2.587 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 4 7.029 -1.974 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.739 -0.288 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.939 0.116 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.540 -1.364 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.586 0.323 -8.332 1.00 0.00 H new ATOM 60 N ILE A 5 8.837 -2.539 -10.631 1.00 0.00 N ATOM 61 CA ILE A 5 9.519 -3.325 -11.650 1.00 0.00 C ATOM 62 C ILE A 5 11.027 -3.331 -11.422 1.00 0.00 C ATOM 63 O ILE A 5 11.606 -2.330 -10.999 1.00 0.00 O ATOM 64 CB ILE A 5 9.228 -2.789 -13.064 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.847 -3.251 -13.534 1.00 0.00 C ATOM 66 CG2 ILE A 5 10.305 -3.245 -14.036 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.754 -4.744 -13.758 1.00 0.00 C ATOM 0 H ILE A 5 8.377 -1.700 -10.983 1.00 0.00 H new ATOM 0 HA ILE A 5 9.137 -4.343 -11.570 1.00 0.00 H new ATOM 0 HB ILE A 5 9.234 -1.699 -13.032 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.103 -2.956 -12.795 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.597 -2.736 -14.462 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.085 -2.858 -15.031 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.274 -2.870 -13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.329 -4.334 -14.068 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.748 -5.000 -14.090 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.474 -5.043 -14.519 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.973 -5.266 -12.826 1.00 0.00 H new ATOM 79 N PHE A 6 11.659 -4.466 -11.706 1.00 0.00 N ATOM 80 CA PHE A 6 13.100 -4.602 -11.532 1.00 0.00 C ATOM 81 C PHE A 6 13.479 -4.532 -10.056 1.00 0.00 C ATOM 82 O PHE A 6 14.621 -4.227 -9.710 1.00 0.00 O ATOM 83 CB PHE A 6 13.835 -3.510 -12.312 1.00 0.00 C ATOM 84 CG PHE A 6 14.541 -4.018 -13.536 1.00 0.00 C ATOM 85 CD1 PHE A 6 15.432 -5.076 -13.448 1.00 0.00 C ATOM 86 CD2 PHE A 6 14.314 -3.440 -14.774 1.00 0.00 C ATOM 87 CE1 PHE A 6 16.085 -5.545 -14.572 1.00 0.00 C ATOM 88 CE2 PHE A 6 14.963 -3.905 -15.902 1.00 0.00 C ATOM 89 CZ PHE A 6 15.849 -4.960 -15.801 1.00 0.00 C ATOM 0 H PHE A 6 11.196 -5.304 -12.057 1.00 0.00 H new ATOM 0 HA PHE A 6 13.397 -5.577 -11.919 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.120 -2.742 -12.607 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.562 -3.033 -11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.618 -5.539 -12.490 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.621 -2.616 -14.859 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.779 -6.368 -14.490 1.00 0.00 H new ATOM 0 HE2 PHE A 6 14.778 -3.444 -16.861 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.356 -5.327 -16.681 1.00 0.00 H new ATOM 99 N LYS A 7 12.513 -4.816 -9.189 1.00 0.00 N ATOM 100 CA LYS A 7 12.743 -4.787 -7.750 1.00 0.00 C ATOM 101 C LYS A 7 12.955 -6.195 -7.204 1.00 0.00 C ATOM 102 O LYS A 7 12.269 -7.135 -7.604 1.00 0.00 O ATOM 103 CB LYS A 7 11.562 -4.124 -7.037 1.00 0.00 C ATOM 104 CG LYS A 7 11.908 -3.581 -5.662 1.00 0.00 C ATOM 105 CD LYS A 7 12.938 -2.467 -5.745 1.00 0.00 C ATOM 106 CE LYS A 7 13.078 -1.738 -4.417 1.00 0.00 C ATOM 107 NZ LYS A 7 13.874 -2.523 -3.434 1.00 0.00 N ATOM 0 H LYS A 7 11.562 -5.069 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 7 13.645 -4.205 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.186 -3.309 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.754 -4.849 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.005 -3.207 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.293 -4.387 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.903 -2.883 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.648 -1.759 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.555 -0.772 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.088 -1.539 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.946 -1.992 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.406 -3.435 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.827 -2.692 -3.815 1.00 0.00 H new ATOM 121 N ALA A 8 13.907 -6.332 -6.287 1.00 0.00 N ATOM 122 CA ALA A 8 14.206 -7.625 -5.683 1.00 0.00 C ATOM 123 C ALA A 8 12.948 -8.267 -5.109 1.00 0.00 C ATOM 124 O ALA A 8 12.406 -7.805 -4.104 1.00 0.00 O ATOM 125 CB ALA A 8 15.264 -7.470 -4.601 1.00 0.00 C ATOM 0 H ALA A 8 14.485 -5.564 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 8 14.593 -8.282 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.477 -8.443 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.175 -7.063 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.898 -6.793 -3.829 1.00 0.00 H new ATOM 131 N CYS A 9 12.486 -9.334 -5.752 1.00 0.00 N ATOM 132 CA CYS A 9 11.291 -10.039 -5.306 1.00 0.00 C ATOM 133 C CYS A 9 11.657 -11.360 -4.636 1.00 0.00 C ATOM 134 O CYS A 9 12.508 -12.101 -5.125 1.00 0.00 O ATOM 135 CB CYS A 9 10.354 -10.296 -6.488 1.00 0.00 C ATOM 136 SG CYS A 9 11.053 -11.393 -7.765 1.00 0.00 S ATOM 0 H CYS A 9 12.922 -9.730 -6.585 1.00 0.00 H new ATOM 0 HA CYS A 9 10.780 -9.411 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.428 -10.734 -6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.094 -9.342 -6.946 1.00 0.00 H new ATOM 141 N ASN A 10 11.007 -11.647 -3.513 1.00 0.00 N ATOM 142 CA ASN A 10 11.264 -12.879 -2.775 1.00 0.00 C ATOM 143 C ASN A 10 10.014 -13.752 -2.721 1.00 0.00 C ATOM 144 O ASN A 10 8.892 -13.287 -2.926 1.00 0.00 O ATOM 145 CB ASN A 10 11.736 -12.558 -1.355 1.00 0.00 C ATOM 146 CG ASN A 10 13.241 -12.393 -1.270 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.996 -13.206 -1.805 1.00 0.00 O ATOM 148 ND2 ASN A 10 13.684 -11.339 -0.595 1.00 0.00 N ATOM 0 H ASN A 10 10.299 -11.044 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 10 12.048 -13.429 -3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.253 -11.643 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.422 -13.355 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.687 -11.177 -0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.021 -10.691 -0.168 1.00 0.00 H new ATOM 155 N PRO A 11 10.209 -15.048 -2.440 1.00 0.00 N ATOM 156 CA PRO A 11 9.110 -16.014 -2.352 1.00 0.00 C ATOM 157 C PRO A 11 8.229 -15.780 -1.129 1.00 0.00 C ATOM 158 O PRO A 11 7.003 -15.841 -1.214 1.00 0.00 O ATOM 159 CB PRO A 11 9.828 -17.361 -2.244 1.00 0.00 C ATOM 160 CG PRO A 11 11.160 -17.035 -1.661 1.00 0.00 C ATOM 161 CD PRO A 11 11.519 -15.672 -2.185 1.00 0.00 C ATOM 0 HA PRO A 11 8.436 -15.943 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.276 -18.054 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.929 -17.835 -3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.120 -17.036 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.906 -17.774 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.101 -15.103 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.117 -15.736 -3.094 1.00 0.00 H new ATOM 169 N SER A 12 8.863 -15.512 0.008 1.00 0.00 N ATOM 170 CA SER A 12 8.137 -15.273 1.250 1.00 0.00 C ATOM 171 C SER A 12 7.836 -13.787 1.425 1.00 0.00 C ATOM 172 O SER A 12 6.907 -13.411 2.139 1.00 0.00 O ATOM 173 CB SER A 12 8.944 -15.785 2.444 1.00 0.00 C ATOM 174 OG SER A 12 10.337 -15.674 2.205 1.00 0.00 O ATOM 0 H SER A 12 9.878 -15.455 0.095 1.00 0.00 H new ATOM 0 HA SER A 12 7.192 -15.815 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.679 -15.218 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.688 -16.826 2.640 1.00 0.00 H new ATOM 0 HG SER A 12 10.830 -16.006 2.984 1.00 0.00 H new ATOM 180 N ASN A 13 8.629 -12.948 0.768 1.00 0.00 N ATOM 181 CA ASN A 13 8.449 -11.503 0.850 1.00 0.00 C ATOM 182 C ASN A 13 8.056 -10.925 -0.506 1.00 0.00 C ATOM 183 O ASN A 13 8.590 -9.901 -0.934 1.00 0.00 O ATOM 184 CB ASN A 13 9.732 -10.835 1.349 1.00 0.00 C ATOM 185 CG ASN A 13 9.464 -9.513 2.041 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.949 -8.465 1.611 1.00 0.00 O ATOM 187 ND2 ASN A 13 8.690 -9.555 3.119 1.00 0.00 N ATOM 0 H ASN A 13 9.403 -13.243 0.173 1.00 0.00 H new ATOM 0 HA ASN A 13 7.644 -11.303 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.243 -11.506 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.404 -10.671 0.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.476 -8.697 3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.310 -10.446 3.439 1.00 0.00 H new ATOM 194 N ASP A 14 7.120 -11.588 -1.177 1.00 0.00 N ATOM 195 CA ASP A 14 6.654 -11.140 -2.484 1.00 0.00 C ATOM 196 C ASP A 14 5.703 -9.956 -2.345 1.00 0.00 C ATOM 197 O ASP A 14 4.535 -10.038 -2.724 1.00 0.00 O ATOM 198 CB ASP A 14 5.959 -12.285 -3.221 1.00 0.00 C ATOM 199 CG ASP A 14 5.865 -12.041 -4.714 1.00 0.00 C ATOM 200 OD1 ASP A 14 6.640 -11.208 -5.228 1.00 0.00 O ATOM 201 OD2 ASP A 14 5.016 -12.682 -5.369 1.00 0.00 O ATOM 0 H ASP A 14 6.669 -12.438 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 14 7.521 -10.820 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.503 -13.212 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.957 -12.420 -2.814 1.00 0.00 H new ATOM 206 N GLN A 15 6.211 -8.856 -1.798 1.00 0.00 N ATOM 207 CA GLN A 15 5.405 -7.655 -1.608 1.00 0.00 C ATOM 208 C GLN A 15 4.948 -7.089 -2.948 1.00 0.00 C ATOM 209 O GLN A 15 4.034 -6.265 -3.006 1.00 0.00 O ATOM 210 CB GLN A 15 6.200 -6.599 -0.839 1.00 0.00 C ATOM 211 CG GLN A 15 6.456 -6.968 0.613 1.00 0.00 C ATOM 212 CD GLN A 15 7.175 -5.872 1.376 1.00 0.00 C ATOM 213 OE1 GLN A 15 6.695 -5.399 2.406 1.00 0.00 O ATOM 214 NE2 GLN A 15 8.333 -5.462 0.872 1.00 0.00 N ATOM 0 H GLN A 15 7.176 -8.771 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 15 4.522 -7.927 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.156 -6.440 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.661 -5.653 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.506 -7.183 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.049 -7.882 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.694 -5.882 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.862 -4.727 1.341 1.00 0.00 H new ATOM 223 N CYS A 16 5.588 -7.536 -4.023 1.00 0.00 N ATOM 224 CA CYS A 16 5.248 -7.074 -5.363 1.00 0.00 C ATOM 225 C CYS A 16 3.747 -7.190 -5.614 1.00 0.00 C ATOM 226 O CYS A 16 3.134 -8.215 -5.315 1.00 0.00 O ATOM 227 CB CYS A 16 6.015 -7.879 -6.414 1.00 0.00 C ATOM 228 SG CYS A 16 6.863 -6.857 -7.661 1.00 0.00 S ATOM 0 H CYS A 16 6.346 -8.218 -3.992 1.00 0.00 H new ATOM 0 HA CYS A 16 5.532 -6.025 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.752 -8.504 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.321 -8.549 -6.920 1.00 0.00 H new ATOM 233 N CYS A 17 3.161 -6.132 -6.166 1.00 0.00 N ATOM 234 CA CYS A 17 1.733 -6.114 -6.458 1.00 0.00 C ATOM 235 C CYS A 17 1.379 -7.162 -7.509 1.00 0.00 C ATOM 236 O CYS A 17 1.471 -6.910 -8.710 1.00 0.00 O ATOM 237 CB CYS A 17 1.308 -4.726 -6.943 1.00 0.00 C ATOM 238 SG CYS A 17 0.657 -3.647 -5.628 1.00 0.00 S ATOM 0 H CYS A 17 3.654 -5.276 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 17 1.197 -6.351 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.164 -4.238 -7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.547 -4.840 -7.715 1.00 0.00 H new ATOM 243 N LYS A 18 0.973 -8.341 -7.047 1.00 0.00 N ATOM 244 CA LYS A 18 0.604 -9.428 -7.945 1.00 0.00 C ATOM 245 C LYS A 18 -0.856 -9.309 -8.373 1.00 0.00 C ATOM 246 O LYS A 18 -1.365 -10.145 -9.119 1.00 0.00 O ATOM 247 CB LYS A 18 0.838 -10.780 -7.267 1.00 0.00 C ATOM 248 CG LYS A 18 1.412 -11.835 -8.195 1.00 0.00 C ATOM 249 CD LYS A 18 0.975 -13.233 -7.790 1.00 0.00 C ATOM 250 CE LYS A 18 -0.466 -13.505 -8.194 1.00 0.00 C ATOM 251 NZ LYS A 18 -1.413 -13.265 -7.070 1.00 0.00 N ATOM 0 H LYS A 18 0.892 -8.567 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 18 1.232 -9.360 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.516 -10.642 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.107 -11.141 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.091 -11.635 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.500 -11.776 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.630 -13.969 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.080 -13.350 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.733 -12.867 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.559 -14.537 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.156 -13.993 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.898 -13.308 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.847 -12.326 -7.177 1.00 0.00 H new ATOM 265 N SER A 19 -1.523 -8.262 -7.896 1.00 0.00 N ATOM 266 CA SER A 19 -2.925 -8.035 -8.228 1.00 0.00 C ATOM 267 C SER A 19 -3.056 -7.068 -9.400 1.00 0.00 C ATOM 268 O SER A 19 -4.143 -6.879 -9.945 1.00 0.00 O ATOM 269 CB SER A 19 -3.675 -7.486 -7.013 1.00 0.00 C ATOM 270 OG SER A 19 -5.027 -7.912 -7.012 1.00 0.00 O ATOM 0 H SER A 19 -1.116 -7.559 -7.279 1.00 0.00 H new ATOM 0 HA SER A 19 -3.364 -8.990 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.185 -7.819 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.634 -6.397 -7.018 1.00 0.00 H new ATOM 0 HG SER A 19 -5.484 -7.549 -6.225 1.00 0.00 H new ATOM 276 N SER A 20 -1.939 -6.458 -9.784 1.00 0.00 N ATOM 277 CA SER A 20 -1.928 -5.507 -10.889 1.00 0.00 C ATOM 278 C SER A 20 -1.194 -6.085 -12.095 1.00 0.00 C ATOM 279 O SER A 20 -1.809 -6.652 -12.998 1.00 0.00 O ATOM 280 CB SER A 20 -1.268 -4.196 -10.456 1.00 0.00 C ATOM 281 OG SER A 20 -2.239 -3.238 -10.072 1.00 0.00 O ATOM 0 H SER A 20 -1.030 -6.606 -9.346 1.00 0.00 H new ATOM 0 HA SER A 20 -2.961 -5.308 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.590 -4.384 -9.624 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.666 -3.801 -11.274 1.00 0.00 H new ATOM 0 HG SER A 20 -1.791 -2.410 -9.798 1.00 0.00 H new ATOM 287 N LYS A 21 0.126 -5.936 -12.103 1.00 0.00 N ATOM 288 CA LYS A 21 0.947 -6.443 -13.197 1.00 0.00 C ATOM 289 C LYS A 21 2.374 -6.707 -12.728 1.00 0.00 C ATOM 290 O LYS A 21 3.275 -6.922 -13.540 1.00 0.00 O ATOM 291 CB LYS A 21 0.956 -5.448 -14.359 1.00 0.00 C ATOM 292 CG LYS A 21 0.995 -3.996 -13.916 1.00 0.00 C ATOM 293 CD LYS A 21 -0.391 -3.372 -13.925 1.00 0.00 C ATOM 294 CE LYS A 21 -0.689 -2.693 -15.253 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.881 -1.806 -15.167 1.00 0.00 N ATOM 0 H LYS A 21 0.651 -5.468 -11.364 1.00 0.00 H new ATOM 0 HA LYS A 21 0.515 -7.384 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.820 -5.649 -14.992 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.068 -5.609 -14.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.417 -3.932 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.654 -3.431 -14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.139 -4.142 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.468 -2.644 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.177 -2.109 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.855 -3.450 -16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.051 -1.362 -16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.713 -2.368 -14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.713 -1.068 -14.454 1.00 0.00 H new ATOM 309 N LEU A 22 2.574 -6.690 -11.415 1.00 0.00 N ATOM 310 CA LEU A 22 3.893 -6.929 -10.838 1.00 0.00 C ATOM 311 C LEU A 22 3.990 -8.340 -10.268 1.00 0.00 C ATOM 312 O LEU A 22 3.459 -8.624 -9.194 1.00 0.00 O ATOM 313 CB LEU A 22 4.185 -5.902 -9.743 1.00 0.00 C ATOM 314 CG LEU A 22 3.590 -4.509 -9.952 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.115 -3.541 -8.904 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.899 -4.001 -11.353 1.00 0.00 C ATOM 0 H LEU A 22 1.840 -6.513 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 22 4.634 -6.826 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.814 -6.295 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.266 -5.802 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 22 2.508 -4.578 -9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.680 -2.555 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.841 -3.897 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.200 -3.476 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.468 -3.008 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.979 -3.948 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.472 -4.682 -12.089 1.00 0.00 H new ATOM 328 N VAL A 23 4.673 -9.220 -10.992 1.00 0.00 N ATOM 329 CA VAL A 23 4.843 -10.601 -10.557 1.00 0.00 C ATOM 330 C VAL A 23 6.312 -11.008 -10.581 1.00 0.00 C ATOM 331 O VAL A 23 7.020 -10.761 -11.557 1.00 0.00 O ATOM 332 CB VAL A 23 4.038 -11.572 -11.441 1.00 0.00 C ATOM 333 CG1 VAL A 23 4.458 -11.440 -12.898 1.00 0.00 C ATOM 334 CG2 VAL A 23 4.211 -13.003 -10.955 1.00 0.00 C ATOM 0 H VAL A 23 5.118 -9.001 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 23 4.470 -10.658 -9.535 1.00 0.00 H new ATOM 0 HB VAL A 23 2.982 -11.313 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.879 -12.133 -13.508 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.278 -10.420 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.519 -11.672 -12.993 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.635 -13.675 -11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.265 -13.277 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.857 -13.084 -9.927 1.00 0.00 H new ATOM 344 N CYS A 24 6.764 -11.634 -9.500 1.00 0.00 N ATOM 345 CA CYS A 24 8.150 -12.077 -9.395 1.00 0.00 C ATOM 346 C CYS A 24 8.545 -12.919 -10.605 1.00 0.00 C ATOM 347 O CYS A 24 8.164 -14.084 -10.714 1.00 0.00 O ATOM 348 CB CYS A 24 8.354 -12.882 -8.111 1.00 0.00 C ATOM 349 SG CYS A 24 10.102 -13.150 -7.671 1.00 0.00 S ATOM 0 H CYS A 24 6.191 -11.846 -8.683 1.00 0.00 H new ATOM 0 HA CYS A 24 8.787 -11.193 -9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.858 -12.366 -7.289 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.865 -13.850 -8.220 1.00 0.00 H new ATOM 354 N SER A 25 9.310 -12.319 -11.512 1.00 0.00 N ATOM 355 CA SER A 25 9.754 -13.012 -12.716 1.00 0.00 C ATOM 356 C SER A 25 10.372 -14.363 -12.368 1.00 0.00 C ATOM 357 O SER A 25 11.092 -14.493 -11.379 1.00 0.00 O ATOM 358 CB SER A 25 10.767 -12.156 -13.478 1.00 0.00 C ATOM 359 OG SER A 25 10.661 -12.363 -14.876 1.00 0.00 O ATOM 0 H SER A 25 9.635 -11.355 -11.436 1.00 0.00 H new ATOM 0 HA SER A 25 8.884 -13.182 -13.350 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.603 -11.103 -13.250 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.776 -12.400 -13.147 1.00 0.00 H new ATOM 0 HG SER A 25 11.318 -11.803 -15.340 1.00 0.00 H new ATOM 365 N ARG A 26 10.083 -15.367 -13.190 1.00 0.00 N ATOM 366 CA ARG A 26 10.608 -16.710 -12.970 1.00 0.00 C ATOM 367 C ARG A 26 12.066 -16.802 -13.413 1.00 0.00 C ATOM 368 O ARG A 26 12.931 -17.235 -12.651 1.00 0.00 O ATOM 369 CB ARG A 26 9.768 -17.740 -13.727 1.00 0.00 C ATOM 370 CG ARG A 26 8.422 -18.022 -13.079 1.00 0.00 C ATOM 371 CD ARG A 26 7.781 -19.277 -13.651 1.00 0.00 C ATOM 372 NE ARG A 26 8.517 -20.483 -13.282 1.00 0.00 N ATOM 373 CZ ARG A 26 8.138 -21.709 -13.627 1.00 0.00 C ATOM 374 NH1 ARG A 26 7.038 -21.889 -14.345 1.00 0.00 N ATOM 375 NH2 ARG A 26 8.860 -22.757 -13.254 1.00 0.00 N ATOM 0 H ARG A 26 9.489 -15.276 -14.014 1.00 0.00 H new ATOM 0 HA ARG A 26 10.556 -16.923 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.605 -17.386 -14.745 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.329 -18.672 -13.800 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.552 -18.136 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.758 -17.171 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.754 -19.355 -13.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.735 -19.198 -14.737 1.00 0.00 H new ATOM 0 HE ARG A 26 9.368 -20.379 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.480 -21.085 -14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.749 -22.831 -14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.707 -22.622 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.568 -23.698 -13.519 1.00 0.00 H new ATOM 389 N LYS A 27 12.330 -16.394 -14.649 1.00 0.00 N ATOM 390 CA LYS A 27 13.682 -16.430 -15.195 1.00 0.00 C ATOM 391 C LYS A 27 14.630 -15.580 -14.355 1.00 0.00 C ATOM 392 O LYS A 27 15.628 -16.077 -13.831 1.00 0.00 O ATOM 393 CB LYS A 27 13.683 -15.934 -16.643 1.00 0.00 C ATOM 394 CG LYS A 27 15.051 -15.980 -17.301 1.00 0.00 C ATOM 395 CD LYS A 27 15.511 -17.410 -17.530 1.00 0.00 C ATOM 396 CE LYS A 27 14.971 -17.967 -18.838 1.00 0.00 C ATOM 397 NZ LYS A 27 13.619 -18.568 -18.669 1.00 0.00 N ATOM 0 H LYS A 27 11.625 -16.034 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 27 14.030 -17.463 -15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.988 -16.539 -17.226 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.312 -14.910 -16.667 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.016 -15.451 -18.253 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.775 -15.460 -16.674 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.600 -17.446 -17.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.180 -18.037 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.924 -17.170 -19.580 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.658 -18.721 -19.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.571 -19.467 -19.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.441 -18.743 -17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.900 -17.914 -19.039 1.00 0.00 H new ATOM 411 N THR A 28 14.312 -14.295 -14.228 1.00 0.00 N ATOM 412 CA THR A 28 15.135 -13.377 -13.451 1.00 0.00 C ATOM 413 C THR A 28 14.722 -13.375 -11.984 1.00 0.00 C ATOM 414 O THR A 28 13.706 -13.964 -11.615 1.00 0.00 O ATOM 415 CB THR A 28 15.045 -11.941 -14.000 1.00 0.00 C ATOM 416 OG1 THR A 28 13.730 -11.416 -13.786 1.00 0.00 O ATOM 417 CG2 THR A 28 15.375 -11.907 -15.485 1.00 0.00 C ATOM 0 H THR A 28 13.490 -13.867 -14.654 1.00 0.00 H new ATOM 0 HA THR A 28 16.164 -13.727 -13.535 1.00 0.00 H new ATOM 0 HB THR A 28 15.772 -11.327 -13.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.670 -10.517 -14.172 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.305 -10.882 -15.850 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.387 -12.279 -15.641 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.670 -12.535 -16.029 1.00 0.00 H new ATOM 425 N ARG A 29 15.516 -12.710 -11.152 1.00 0.00 N ATOM 426 CA ARG A 29 15.232 -12.632 -9.724 1.00 0.00 C ATOM 427 C ARG A 29 14.497 -11.339 -9.385 1.00 0.00 C ATOM 428 O ARG A 29 14.094 -11.124 -8.242 1.00 0.00 O ATOM 429 CB ARG A 29 16.530 -12.719 -8.919 1.00 0.00 C ATOM 430 CG ARG A 29 17.109 -14.123 -8.846 1.00 0.00 C ATOM 431 CD ARG A 29 18.233 -14.210 -7.826 1.00 0.00 C ATOM 432 NE ARG A 29 19.283 -13.228 -8.083 1.00 0.00 N ATOM 433 CZ ARG A 29 20.164 -13.336 -9.071 1.00 0.00 C ATOM 434 NH1 ARG A 29 20.121 -14.376 -9.891 1.00 0.00 N ATOM 435 NH2 ARG A 29 21.090 -12.400 -9.240 1.00 0.00 N ATOM 0 H ARG A 29 16.361 -12.217 -11.442 1.00 0.00 H new ATOM 0 HA ARG A 29 14.591 -13.473 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.269 -12.053 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.345 -12.358 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.322 -14.829 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.483 -14.415 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.828 -14.054 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.662 -15.212 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 29 19.343 -12.415 -7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.410 -15.096 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.799 -14.456 -10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.125 -11.598 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 29 21.767 -12.483 -9.999 1.00 0.00 H new ATOM 449 N TRP A 30 14.327 -10.482 -10.385 1.00 0.00 N ATOM 450 CA TRP A 30 13.641 -9.210 -10.193 1.00 0.00 C ATOM 451 C TRP A 30 12.206 -9.282 -10.704 1.00 0.00 C ATOM 452 O TRP A 30 11.912 -10.003 -11.658 1.00 0.00 O ATOM 453 CB TRP A 30 14.394 -8.087 -10.909 1.00 0.00 C ATOM 454 CG TRP A 30 14.682 -8.389 -12.349 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.768 -8.560 -13.349 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.971 -8.558 -12.947 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.412 -8.825 -14.534 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.764 -8.828 -14.314 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.281 -8.505 -12.463 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.818 -9.045 -15.198 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.326 -8.721 -13.341 1.00 0.00 C ATOM 462 CH2 TRP A 30 18.089 -8.987 -14.696 1.00 0.00 C ATOM 0 H TRP A 30 14.655 -10.645 -11.337 1.00 0.00 H new ATOM 0 HA TRP A 30 13.616 -8.998 -9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.808 -7.170 -10.848 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.334 -7.900 -10.389 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.697 -8.496 -13.227 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.957 -8.992 -15.431 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.473 -8.299 -11.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.638 -9.252 -16.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.342 -8.684 -12.977 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.927 -9.150 -15.358 1.00 0.00 H new ATOM 473 N CYS A 31 11.316 -8.531 -10.064 1.00 0.00 N ATOM 474 CA CYS A 31 9.911 -8.511 -10.454 1.00 0.00 C ATOM 475 C CYS A 31 9.752 -8.017 -11.889 1.00 0.00 C ATOM 476 O CYS A 31 10.466 -7.117 -12.329 1.00 0.00 O ATOM 477 CB CYS A 31 9.110 -7.618 -9.504 1.00 0.00 C ATOM 478 SG CYS A 31 7.437 -8.238 -9.135 1.00 0.00 S ATOM 0 H CYS A 31 11.543 -7.928 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 31 9.528 -9.530 -10.395 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.661 -7.513 -8.570 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.029 -6.622 -9.940 1.00 0.00 H new ATOM 483 N ALA A 32 8.809 -8.612 -12.612 1.00 0.00 N ATOM 484 CA ALA A 32 8.554 -8.232 -13.996 1.00 0.00 C ATOM 485 C ALA A 32 7.064 -8.286 -14.315 1.00 0.00 C ATOM 486 O ALA A 32 6.245 -8.590 -13.447 1.00 0.00 O ATOM 487 CB ALA A 32 9.332 -9.134 -14.943 1.00 0.00 C ATOM 0 H ALA A 32 8.209 -9.359 -12.262 1.00 0.00 H new ATOM 0 HA ALA A 32 8.891 -7.204 -14.132 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.132 -8.839 -15.973 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.399 -9.041 -14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.023 -10.169 -14.796 1.00 0.00 H new ATOM 493 N TYR A 33 6.719 -7.990 -15.563 1.00 0.00 N ATOM 494 CA TYR A 33 5.327 -8.002 -15.995 1.00 0.00 C ATOM 495 C TYR A 33 4.877 -9.417 -16.343 1.00 0.00 C ATOM 496 O TYR A 33 5.623 -10.379 -16.161 1.00 0.00 O ATOM 497 CB TYR A 33 5.138 -7.083 -17.203 1.00 0.00 C ATOM 498 CG TYR A 33 5.372 -5.621 -16.894 1.00 0.00 C ATOM 499 CD1 TYR A 33 4.622 -4.967 -15.925 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.344 -4.895 -17.572 1.00 0.00 C ATOM 501 CE1 TYR A 33 4.832 -3.631 -15.640 1.00 0.00 C ATOM 502 CE2 TYR A 33 6.562 -3.560 -17.293 1.00 0.00 C ATOM 503 CZ TYR A 33 5.804 -2.932 -16.326 1.00 0.00 C ATOM 504 OH TYR A 33 6.017 -1.602 -16.046 1.00 0.00 O ATOM 0 H TYR A 33 7.385 -7.739 -16.294 1.00 0.00 H new ATOM 0 HA TYR A 33 4.714 -7.638 -15.171 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.821 -7.392 -17.995 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.126 -7.207 -17.588 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.862 -5.512 -15.385 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.939 -5.383 -18.330 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.239 -3.137 -14.885 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.322 -3.010 -17.829 1.00 0.00 H new ATOM 0 HH TYR A 33 6.737 -1.259 -16.616 1.00 0.00 H new ATOM 514 N GLN A 34 3.652 -9.535 -16.846 1.00 0.00 N ATOM 515 CA GLN A 34 3.102 -10.832 -17.220 1.00 0.00 C ATOM 516 C GLN A 34 1.745 -10.673 -17.898 1.00 0.00 C ATOM 517 O GLN A 34 1.029 -9.701 -17.655 1.00 0.00 O ATOM 518 CB GLN A 34 2.967 -11.728 -15.987 1.00 0.00 C ATOM 519 CG GLN A 34 2.575 -13.159 -16.315 1.00 0.00 C ATOM 520 CD GLN A 34 2.548 -14.052 -15.090 1.00 0.00 C ATOM 521 OE1 GLN A 34 1.656 -13.943 -14.248 1.00 0.00 O ATOM 522 NE2 GLN A 34 3.527 -14.942 -14.984 1.00 0.00 N ATOM 0 H GLN A 34 3.022 -8.748 -17.004 1.00 0.00 H new ATOM 0 HA GLN A 34 3.788 -11.299 -17.926 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.914 -11.734 -15.447 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.221 -11.300 -15.317 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.592 -13.164 -16.785 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.278 -13.567 -17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.246 -14.998 -15.705 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.560 -15.570 -14.181 1.00 0.00 H new ATOM 531 N ILE A 35 1.398 -11.633 -18.748 1.00 0.00 N ATOM 532 CA ILE A 35 0.126 -11.599 -19.460 1.00 0.00 C ATOM 533 C ILE A 35 -0.966 -12.309 -18.669 1.00 0.00 C ATOM 534 O ILE A 35 -0.692 -12.969 -17.666 1.00 0.00 O ATOM 535 CB ILE A 35 0.243 -12.250 -20.851 1.00 0.00 C ATOM 536 CG1 ILE A 35 1.342 -11.567 -21.668 1.00 0.00 C ATOM 537 CG2 ILE A 35 -1.090 -12.178 -21.583 1.00 0.00 C ATOM 538 CD1 ILE A 35 2.712 -12.172 -21.461 1.00 0.00 C ATOM 0 H ILE A 35 1.979 -12.444 -18.961 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.141 -10.549 -19.580 1.00 0.00 H new ATOM 0 HB ILE A 35 0.510 -13.299 -20.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.085 -11.623 -22.726 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.377 -10.510 -21.404 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.992 -12.642 -22.564 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.850 -12.705 -21.007 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.384 -11.135 -21.703 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.441 -11.639 -22.071 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.990 -12.092 -20.410 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.694 -13.222 -21.753 1.00 0.00 H new TER 550 ILE A 35