USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 1 GLU N :NH3+ -120:sc= 0.119 (180deg=-0.0112) USER MOD Set 1.2: A 15 GLN : amide:sc= -6.71! C(o=-6.6!,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.22) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -155:sc= -1.91 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.134 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.545 -0.026 0.236 1.00 0.00 N ATOM 2 CA GLU A 1 2.187 0.055 -1.071 1.00 0.00 C ATOM 3 C GLU A 1 1.819 -1.148 -1.934 1.00 0.00 C ATOM 4 O GLU A 1 1.047 -2.012 -1.517 1.00 0.00 O ATOM 5 CB GLU A 1 3.707 0.138 -0.913 1.00 0.00 C ATOM 6 CG GLU A 1 4.183 1.433 -0.278 1.00 0.00 C ATOM 7 CD GLU A 1 3.694 2.662 -1.020 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.137 2.878 -2.167 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.868 3.407 -0.453 1.00 0.00 O ATOM 0 H1 GLU A 1 0.930 0.802 0.373 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.974 -0.894 0.289 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.272 -0.044 0.979 1.00 0.00 H new ATOM 0 HA GLU A 1 1.831 0.958 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.047 -0.701 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.172 0.031 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.837 1.475 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.273 1.440 -0.250 1.00 0.00 H new ATOM 16 N CYS A 2 2.377 -1.198 -3.139 1.00 0.00 N ATOM 17 CA CYS A 2 2.108 -2.294 -4.062 1.00 0.00 C ATOM 18 C CYS A 2 2.866 -3.552 -3.649 1.00 0.00 C ATOM 19 O CYS A 2 4.073 -3.511 -3.406 1.00 0.00 O ATOM 20 CB CYS A 2 2.497 -1.895 -5.487 1.00 0.00 C ATOM 21 SG CYS A 2 2.116 -0.163 -5.905 1.00 0.00 S ATOM 0 H CYS A 2 3.019 -0.492 -3.499 1.00 0.00 H new ATOM 0 HA CYS A 2 1.040 -2.509 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.566 -2.063 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.981 -2.549 -6.190 1.00 0.00 H new ATOM 26 N LEU A 3 2.151 -4.668 -3.571 1.00 0.00 N ATOM 27 CA LEU A 3 2.756 -5.939 -3.188 1.00 0.00 C ATOM 28 C LEU A 3 2.815 -6.894 -4.376 1.00 0.00 C ATOM 29 O LEU A 3 1.893 -7.678 -4.600 1.00 0.00 O ATOM 30 CB LEU A 3 1.966 -6.578 -2.044 1.00 0.00 C ATOM 31 CG LEU A 3 1.126 -5.624 -1.194 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.086 -6.344 -0.624 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.967 -5.025 -0.076 1.00 0.00 C ATOM 0 H LEU A 3 1.151 -4.719 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 3 3.774 -5.742 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.305 -7.336 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.667 -7.095 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 3 0.775 -4.813 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.672 -5.649 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.700 -6.724 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.244 -7.175 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.353 -4.349 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.348 -5.824 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.803 -4.473 -0.505 1.00 0.00 H new ATOM 45 N GLU A 4 3.906 -6.823 -5.132 1.00 0.00 N ATOM 46 CA GLU A 4 4.085 -7.683 -6.296 1.00 0.00 C ATOM 47 C GLU A 4 4.853 -8.949 -5.925 1.00 0.00 C ATOM 48 O GLU A 4 4.814 -9.945 -6.647 1.00 0.00 O ATOM 49 CB GLU A 4 4.824 -6.931 -7.405 1.00 0.00 C ATOM 50 CG GLU A 4 6.302 -6.725 -7.119 1.00 0.00 C ATOM 51 CD GLU A 4 6.920 -5.648 -7.989 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.290 -4.582 -8.151 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.034 -5.871 -8.507 1.00 0.00 O ATOM 0 H GLU A 4 4.678 -6.180 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 4 3.098 -7.971 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.717 -7.481 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.352 -5.960 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.431 -6.458 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.833 -7.664 -7.277 1.00 0.00 H new ATOM 60 N ILE A 5 5.550 -8.900 -4.795 1.00 0.00 N ATOM 61 CA ILE A 5 6.327 -10.041 -4.327 1.00 0.00 C ATOM 62 C ILE A 5 5.425 -11.104 -3.709 1.00 0.00 C ATOM 63 O ILE A 5 5.824 -12.258 -3.552 1.00 0.00 O ATOM 64 CB ILE A 5 7.385 -9.616 -3.292 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.170 -10.835 -2.803 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.724 -8.902 -2.123 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.764 -11.661 -3.923 1.00 0.00 C ATOM 0 H ILE A 5 5.593 -8.082 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 5 6.831 -10.458 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 5 8.081 -8.926 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.972 -10.500 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.511 -11.466 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.484 -8.608 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.205 -8.015 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.009 -9.571 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.306 -12.508 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.965 -12.026 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.449 -11.045 -4.506 1.00 0.00 H new ATOM 79 N PHE A 6 4.205 -10.707 -3.362 1.00 0.00 N ATOM 80 CA PHE A 6 3.245 -11.626 -2.761 1.00 0.00 C ATOM 81 C PHE A 6 3.059 -11.324 -1.277 1.00 0.00 C ATOM 82 O PHE A 6 2.794 -12.223 -0.477 1.00 0.00 O ATOM 83 CB PHE A 6 3.706 -13.073 -2.945 1.00 0.00 C ATOM 84 CG PHE A 6 4.504 -13.600 -1.787 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.412 -12.787 -1.127 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.345 -14.907 -1.356 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.148 -13.270 -0.062 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.077 -15.395 -0.291 1.00 0.00 C ATOM 89 CZ PHE A 6 5.979 -14.575 0.358 1.00 0.00 C ATOM 0 H PHE A 6 3.858 -9.756 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 6 2.288 -11.491 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.833 -13.708 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.307 -13.142 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.546 -11.765 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.640 -15.552 -1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.855 -12.628 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.944 -16.416 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.551 -14.953 1.192 1.00 0.00 H new ATOM 99 N LYS A 7 3.200 -10.054 -0.915 1.00 0.00 N ATOM 100 CA LYS A 7 3.048 -9.631 0.472 1.00 0.00 C ATOM 101 C LYS A 7 1.575 -9.563 0.862 1.00 0.00 C ATOM 102 O LYS A 7 0.736 -9.121 0.077 1.00 0.00 O ATOM 103 CB LYS A 7 3.707 -8.267 0.687 1.00 0.00 C ATOM 104 CG LYS A 7 4.799 -8.278 1.742 1.00 0.00 C ATOM 105 CD LYS A 7 5.892 -9.278 1.402 1.00 0.00 C ATOM 106 CE LYS A 7 7.255 -8.795 1.875 1.00 0.00 C ATOM 107 NZ LYS A 7 8.209 -9.924 2.059 1.00 0.00 N ATOM 0 H LYS A 7 3.420 -9.298 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 7 3.540 -10.369 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.130 -7.924 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.943 -7.545 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.231 -7.281 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.367 -8.525 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.665 -10.239 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.916 -9.440 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.662 -8.090 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.143 -8.257 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.126 -9.555 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.833 -10.584 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.335 -10.423 1.155 1.00 0.00 H new ATOM 121 N ALA A 8 1.268 -10.002 2.078 1.00 0.00 N ATOM 122 CA ALA A 8 -0.104 -9.987 2.572 1.00 0.00 C ATOM 123 C ALA A 8 -0.793 -8.668 2.239 1.00 0.00 C ATOM 124 O ALA A 8 -0.376 -7.605 2.699 1.00 0.00 O ATOM 125 CB ALA A 8 -0.126 -10.233 4.073 1.00 0.00 C ATOM 0 H ALA A 8 1.950 -10.372 2.739 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.652 -10.788 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.156 -10.219 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.320 -11.204 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.443 -9.452 4.578 1.00 0.00 H new ATOM 131 N CYS A 9 -1.849 -8.744 1.437 1.00 0.00 N ATOM 132 CA CYS A 9 -2.596 -7.556 1.041 1.00 0.00 C ATOM 133 C CYS A 9 -3.751 -7.294 2.004 1.00 0.00 C ATOM 134 O CYS A 9 -4.307 -8.222 2.589 1.00 0.00 O ATOM 135 CB CYS A 9 -3.132 -7.716 -0.383 1.00 0.00 C ATOM 136 SG CYS A 9 -4.943 -7.878 -0.483 1.00 0.00 S ATOM 0 H CYS A 9 -2.207 -9.616 1.048 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.918 -6.703 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.822 -6.855 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.674 -8.596 -0.835 1.00 0.00 H new ATOM 141 N ASN A 10 -4.105 -6.023 2.161 1.00 0.00 N ATOM 142 CA ASN A 10 -5.193 -5.637 3.053 1.00 0.00 C ATOM 143 C ASN A 10 -6.522 -5.602 2.305 1.00 0.00 C ATOM 144 O ASN A 10 -6.581 -5.335 1.105 1.00 0.00 O ATOM 145 CB ASN A 10 -4.909 -4.269 3.676 1.00 0.00 C ATOM 146 CG ASN A 10 -4.115 -4.374 4.963 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.230 -5.220 5.093 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.428 -3.511 5.923 1.00 0.00 N ATOM 0 H ASN A 10 -3.655 -5.243 1.683 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.262 -6.382 3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.360 -3.655 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.852 -3.760 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.927 -3.533 6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.169 -2.826 5.772 1.00 0.00 H new ATOM 155 N PRO A 11 -7.617 -5.878 3.031 1.00 0.00 N ATOM 156 CA PRO A 11 -8.966 -5.884 2.457 1.00 0.00 C ATOM 157 C PRO A 11 -9.444 -4.484 2.087 1.00 0.00 C ATOM 158 O PRO A 11 -10.017 -4.276 1.018 1.00 0.00 O ATOM 159 CB PRO A 11 -9.827 -6.464 3.582 1.00 0.00 C ATOM 160 CG PRO A 11 -9.078 -6.151 4.832 1.00 0.00 C ATOM 161 CD PRO A 11 -7.621 -6.206 4.466 1.00 0.00 C ATOM 0 HA PRO A 11 -9.012 -6.454 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.820 -6.015 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.965 -7.539 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.348 -5.166 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.311 -6.871 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.034 -5.491 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.196 -7.192 4.654 1.00 0.00 H new ATOM 169 N SER A 12 -9.204 -3.527 2.978 1.00 0.00 N ATOM 170 CA SER A 12 -9.614 -2.147 2.747 1.00 0.00 C ATOM 171 C SER A 12 -8.427 -1.294 2.309 1.00 0.00 C ATOM 172 O SER A 12 -8.532 -0.498 1.377 1.00 0.00 O ATOM 173 CB SER A 12 -10.239 -1.559 4.013 1.00 0.00 C ATOM 174 OG SER A 12 -11.530 -2.096 4.242 1.00 0.00 O ATOM 0 H SER A 12 -8.728 -3.682 3.866 1.00 0.00 H new ATOM 0 HA SER A 12 -10.356 -2.144 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.598 -1.768 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.304 -0.475 3.920 1.00 0.00 H new ATOM 0 HG SER A 12 -11.907 -1.705 5.058 1.00 0.00 H new ATOM 180 N ASN A 13 -7.299 -1.468 2.989 1.00 0.00 N ATOM 181 CA ASN A 13 -6.091 -0.715 2.671 1.00 0.00 C ATOM 182 C ASN A 13 -5.531 -1.131 1.314 1.00 0.00 C ATOM 183 O ASN A 13 -4.733 -2.063 1.220 1.00 0.00 O ATOM 184 CB ASN A 13 -5.034 -0.924 3.757 1.00 0.00 C ATOM 185 CG ASN A 13 -4.190 0.315 3.989 1.00 0.00 C ATOM 186 OD1 ASN A 13 -3.389 0.702 3.138 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.366 0.942 5.146 1.00 0.00 N ATOM 0 H ASN A 13 -7.196 -2.124 3.764 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.353 0.342 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.525 -1.205 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.386 -1.754 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.826 1.781 5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.041 0.585 5.822 1.00 0.00 H new ATOM 194 N ASP A 14 -5.955 -0.433 0.267 1.00 0.00 N ATOM 195 CA ASP A 14 -5.495 -0.728 -1.085 1.00 0.00 C ATOM 196 C ASP A 14 -3.971 -0.731 -1.153 1.00 0.00 C ATOM 197 O ASP A 14 -3.340 0.325 -1.172 1.00 0.00 O ATOM 198 CB ASP A 14 -6.060 0.294 -2.073 1.00 0.00 C ATOM 199 CG ASP A 14 -7.572 0.387 -2.010 1.00 0.00 C ATOM 200 OD1 ASP A 14 -8.226 -0.668 -1.873 1.00 0.00 O ATOM 201 OD2 ASP A 14 -8.101 1.514 -2.097 1.00 0.00 O ATOM 0 H ASP A 14 -6.616 0.341 0.328 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.854 -1.721 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.630 1.273 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.758 0.023 -3.084 1.00 0.00 H new ATOM 206 N GLN A 15 -3.388 -1.925 -1.187 1.00 0.00 N ATOM 207 CA GLN A 15 -1.938 -2.065 -1.250 1.00 0.00 C ATOM 208 C GLN A 15 -1.471 -2.244 -2.691 1.00 0.00 C ATOM 209 O GLN A 15 -0.776 -1.388 -3.240 1.00 0.00 O ATOM 210 CB GLN A 15 -1.482 -3.254 -0.402 1.00 0.00 C ATOM 211 CG GLN A 15 -1.503 -2.978 1.093 1.00 0.00 C ATOM 212 CD GLN A 15 -0.469 -3.788 1.850 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.692 -3.393 1.954 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.887 -4.930 2.385 1.00 0.00 N ATOM 0 H GLN A 15 -3.897 -2.809 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.492 -1.153 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.124 -4.109 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.471 -3.534 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.325 -1.917 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.494 -3.203 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.859 -5.219 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.236 -5.517 2.906 1.00 0.00 H new ATOM 223 N CYS A 16 -1.855 -3.361 -3.298 1.00 0.00 N ATOM 224 CA CYS A 16 -1.475 -3.654 -4.675 1.00 0.00 C ATOM 225 C CYS A 16 -1.549 -2.397 -5.538 1.00 0.00 C ATOM 226 O CYS A 16 -2.356 -1.502 -5.283 1.00 0.00 O ATOM 227 CB CYS A 16 -2.382 -4.740 -5.256 1.00 0.00 C ATOM 228 SG CYS A 16 -2.843 -6.040 -4.066 1.00 0.00 S ATOM 0 H CYS A 16 -2.430 -4.079 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.446 -4.013 -4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.290 -4.274 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.879 -5.202 -6.106 1.00 0.00 H new ATOM 233 N CYS A 17 -0.702 -2.338 -6.560 1.00 0.00 N ATOM 234 CA CYS A 17 -0.670 -1.193 -7.462 1.00 0.00 C ATOM 235 C CYS A 17 -1.919 -1.155 -8.338 1.00 0.00 C ATOM 236 O CYS A 17 -2.841 -1.952 -8.160 1.00 0.00 O ATOM 237 CB CYS A 17 0.581 -1.244 -8.341 1.00 0.00 C ATOM 238 SG CYS A 17 1.861 -0.032 -7.883 1.00 0.00 S ATOM 0 H CYS A 17 -0.028 -3.070 -6.784 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.644 -0.287 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.008 -2.245 -8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.291 -1.075 -9.378 1.00 0.00 H new ATOM 243 N LYS A 18 -1.943 -0.224 -9.285 1.00 0.00 N ATOM 244 CA LYS A 18 -3.077 -0.081 -10.191 1.00 0.00 C ATOM 245 C LYS A 18 -2.821 -0.817 -11.502 1.00 0.00 C ATOM 246 O LYS A 18 -3.327 -1.919 -11.715 1.00 0.00 O ATOM 247 CB LYS A 18 -3.351 1.398 -10.469 1.00 0.00 C ATOM 248 CG LYS A 18 -4.514 1.962 -9.672 1.00 0.00 C ATOM 249 CD LYS A 18 -4.283 1.828 -8.176 1.00 0.00 C ATOM 250 CE LYS A 18 -5.286 0.878 -7.539 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.508 1.189 -6.100 1.00 0.00 N ATOM 0 H LYS A 18 -1.189 0.444 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.951 -0.522 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.454 1.974 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.553 1.528 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.655 3.012 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.431 1.441 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.271 1.466 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.360 2.808 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.234 0.938 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.929 -0.147 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.198 0.520 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.609 1.107 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.873 2.158 -6.007 1.00 0.00 H new ATOM 265 N SER A 19 -2.032 -0.201 -12.377 1.00 0.00 N ATOM 266 CA SER A 19 -1.711 -0.798 -13.668 1.00 0.00 C ATOM 267 C SER A 19 -1.031 -2.151 -13.488 1.00 0.00 C ATOM 268 O SER A 19 -1.021 -2.980 -14.399 1.00 0.00 O ATOM 269 CB SER A 19 -0.808 0.137 -14.475 1.00 0.00 C ATOM 270 OG SER A 19 -1.569 1.111 -15.167 1.00 0.00 O ATOM 0 H SER A 19 -1.604 0.711 -12.215 1.00 0.00 H new ATOM 0 HA SER A 19 -2.643 -0.950 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.101 0.630 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.222 -0.444 -15.187 1.00 0.00 H new ATOM 0 HG SER A 19 -0.968 1.697 -15.673 1.00 0.00 H new ATOM 276 N SER A 20 -0.463 -2.368 -12.306 1.00 0.00 N ATOM 277 CA SER A 20 0.224 -3.619 -12.006 1.00 0.00 C ATOM 278 C SER A 20 -0.744 -4.797 -12.064 1.00 0.00 C ATOM 279 O SER A 20 -1.938 -4.649 -11.804 1.00 0.00 O ATOM 280 CB SER A 20 0.877 -3.548 -10.625 1.00 0.00 C ATOM 281 OG SER A 20 1.733 -2.423 -10.522 1.00 0.00 O ATOM 0 H SER A 20 -0.465 -1.694 -11.541 1.00 0.00 H new ATOM 0 HA SER A 20 0.998 -3.770 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.105 -3.493 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.446 -4.460 -10.441 1.00 0.00 H new ATOM 0 HG SER A 20 2.416 -2.593 -9.840 1.00 0.00 H new ATOM 287 N LYS A 21 -0.220 -5.969 -12.407 1.00 0.00 N ATOM 288 CA LYS A 21 -1.034 -7.175 -12.499 1.00 0.00 C ATOM 289 C LYS A 21 -1.131 -7.870 -11.145 1.00 0.00 C ATOM 290 O LYS A 21 -2.037 -8.671 -10.910 1.00 0.00 O ATOM 291 CB LYS A 21 -0.447 -8.134 -13.536 1.00 0.00 C ATOM 292 CG LYS A 21 1.005 -8.498 -13.275 1.00 0.00 C ATOM 293 CD LYS A 21 1.442 -9.684 -14.118 1.00 0.00 C ATOM 294 CE LYS A 21 1.343 -9.379 -15.605 1.00 0.00 C ATOM 295 NZ LYS A 21 2.084 -10.376 -16.426 1.00 0.00 N ATOM 0 H LYS A 21 0.766 -6.109 -12.626 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.037 -6.883 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.044 -9.046 -13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.527 -7.681 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.641 -7.640 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.138 -8.732 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.469 -9.950 -13.868 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.822 -10.548 -13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.295 -9.369 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.740 -8.382 -15.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.992 -10.133 -17.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.089 -10.368 -16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.689 -11.324 -16.261 1.00 0.00 H new ATOM 309 N LEU A 22 -0.193 -7.558 -10.257 1.00 0.00 N ATOM 310 CA LEU A 22 -0.174 -8.153 -8.924 1.00 0.00 C ATOM 311 C LEU A 22 -1.587 -8.280 -8.364 1.00 0.00 C ATOM 312 O LEU A 22 -2.208 -7.287 -7.986 1.00 0.00 O ATOM 313 CB LEU A 22 0.687 -7.310 -7.981 1.00 0.00 C ATOM 314 CG LEU A 22 1.222 -5.997 -8.554 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.451 -4.984 -7.443 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.507 -6.238 -9.332 1.00 0.00 C ATOM 0 H LEU A 22 0.564 -6.897 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 22 0.256 -9.151 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.100 -7.082 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.535 -7.914 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 22 0.477 -5.592 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.832 -4.056 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.510 -4.788 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.176 -5.381 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.873 -5.292 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.259 -6.667 -8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.311 -6.928 -10.153 1.00 0.00 H new ATOM 328 N VAL A 23 -2.088 -9.510 -8.312 1.00 0.00 N ATOM 329 CA VAL A 23 -3.427 -9.769 -7.795 1.00 0.00 C ATOM 330 C VAL A 23 -3.371 -10.303 -6.368 1.00 0.00 C ATOM 331 O VAL A 23 -2.443 -11.023 -5.999 1.00 0.00 O ATOM 332 CB VAL A 23 -4.186 -10.776 -8.679 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.458 -12.111 -8.712 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.614 -10.949 -8.184 1.00 0.00 C ATOM 0 H VAL A 23 -1.587 -10.343 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.959 -8.818 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.224 -10.385 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.009 -12.810 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.456 -11.969 -9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.387 -12.512 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.136 -11.664 -8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.601 -11.318 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.130 -9.989 -8.218 1.00 0.00 H new ATOM 344 N CYS A 24 -4.371 -9.946 -5.569 1.00 0.00 N ATOM 345 CA CYS A 24 -4.437 -10.389 -4.182 1.00 0.00 C ATOM 346 C CYS A 24 -5.712 -11.188 -3.926 1.00 0.00 C ATOM 347 O CYS A 24 -5.738 -12.081 -3.079 1.00 0.00 O ATOM 348 CB CYS A 24 -4.377 -9.187 -3.237 1.00 0.00 C ATOM 349 SG CYS A 24 -5.384 -9.375 -1.730 1.00 0.00 S ATOM 0 H CYS A 24 -5.147 -9.351 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.580 -11.035 -3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.340 -9.016 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.709 -8.299 -3.775 1.00 0.00 H new ATOM 354 N SER A 25 -6.767 -10.860 -4.665 1.00 0.00 N ATOM 355 CA SER A 25 -8.046 -11.544 -4.516 1.00 0.00 C ATOM 356 C SER A 25 -7.986 -12.945 -5.117 1.00 0.00 C ATOM 357 O SER A 25 -8.247 -13.937 -4.435 1.00 0.00 O ATOM 358 CB SER A 25 -9.161 -10.738 -5.185 1.00 0.00 C ATOM 359 OG SER A 25 -8.872 -10.506 -6.553 1.00 0.00 O ATOM 0 H SER A 25 -6.761 -10.125 -5.372 1.00 0.00 H new ATOM 0 HA SER A 25 -8.260 -11.633 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.106 -11.274 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.285 -9.786 -4.670 1.00 0.00 H new ATOM 0 HG SER A 25 -9.600 -9.991 -6.958 1.00 0.00 H new ATOM 365 N ARG A 26 -7.641 -13.019 -6.398 1.00 0.00 N ATOM 366 CA ARG A 26 -7.547 -14.297 -7.092 1.00 0.00 C ATOM 367 C ARG A 26 -6.760 -15.309 -6.265 1.00 0.00 C ATOM 368 O ARG A 26 -7.249 -16.399 -5.967 1.00 0.00 O ATOM 369 CB ARG A 26 -6.883 -14.112 -8.458 1.00 0.00 C ATOM 370 CG ARG A 26 -7.787 -13.459 -9.491 1.00 0.00 C ATOM 371 CD ARG A 26 -7.097 -13.344 -10.842 1.00 0.00 C ATOM 372 NE ARG A 26 -7.800 -12.431 -11.739 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.625 -12.415 -13.056 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.775 -13.259 -13.625 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.301 -11.555 -13.806 1.00 0.00 N ATOM 0 H ARG A 26 -7.422 -12.208 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.558 -14.679 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.986 -13.505 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.562 -15.085 -8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.701 -14.043 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.080 -12.468 -9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.074 -12.995 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.036 -14.330 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.461 -11.770 -11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.254 -13.922 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.642 -13.245 -14.636 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.956 -10.905 -13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.166 -11.544 -14.817 1.00 0.00 H new ATOM 389 N LYS A 27 -5.537 -14.941 -5.897 1.00 0.00 N ATOM 390 CA LYS A 27 -4.681 -15.815 -5.103 1.00 0.00 C ATOM 391 C LYS A 27 -4.857 -15.542 -3.613 1.00 0.00 C ATOM 392 O LYS A 27 -5.785 -14.842 -3.204 1.00 0.00 O ATOM 393 CB LYS A 27 -3.215 -15.621 -5.498 1.00 0.00 C ATOM 394 CG LYS A 27 -2.965 -15.747 -6.991 1.00 0.00 C ATOM 395 CD LYS A 27 -2.895 -17.201 -7.424 1.00 0.00 C ATOM 396 CE LYS A 27 -4.264 -17.731 -7.823 1.00 0.00 C ATOM 397 NZ LYS A 27 -4.167 -18.799 -8.855 1.00 0.00 N ATOM 0 H LYS A 27 -5.116 -14.043 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.972 -16.846 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.885 -14.637 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.606 -16.356 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.761 -15.242 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.033 -15.245 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.207 -17.299 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.493 -17.805 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.772 -18.123 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.873 -16.912 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.121 -19.133 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.705 -18.419 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.607 -19.592 -8.482 1.00 0.00 H new ATOM 411 N THR A 28 -3.961 -16.098 -2.804 1.00 0.00 N ATOM 412 CA THR A 28 -4.018 -15.915 -1.359 1.00 0.00 C ATOM 413 C THR A 28 -4.131 -14.439 -0.996 1.00 0.00 C ATOM 414 O THR A 28 -4.011 -13.567 -1.858 1.00 0.00 O ATOM 415 CB THR A 28 -2.776 -16.508 -0.668 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.107 -17.412 -1.555 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.163 -17.237 0.609 1.00 0.00 C ATOM 0 H THR A 28 -3.187 -16.679 -3.125 1.00 0.00 H new ATOM 0 HA THR A 28 -4.906 -16.442 -1.009 1.00 0.00 H new ATOM 0 HB THR A 28 -2.105 -15.688 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.317 -17.784 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.269 -17.647 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.646 -16.540 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.852 -18.047 0.371 1.00 0.00 H new ATOM 425 N ARG A 29 -4.361 -14.164 0.284 1.00 0.00 N ATOM 426 CA ARG A 29 -4.491 -12.793 0.760 1.00 0.00 C ATOM 427 C ARG A 29 -3.317 -11.940 0.286 1.00 0.00 C ATOM 428 O ARG A 29 -3.414 -10.715 0.221 1.00 0.00 O ATOM 429 CB ARG A 29 -4.570 -12.766 2.287 1.00 0.00 C ATOM 430 CG ARG A 29 -5.961 -13.053 2.830 1.00 0.00 C ATOM 431 CD ARG A 29 -6.393 -14.479 2.528 1.00 0.00 C ATOM 432 NE ARG A 29 -7.361 -14.976 3.502 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.605 -14.520 3.601 1.00 0.00 C ATOM 434 NH1 ARG A 29 -9.029 -13.562 2.788 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.427 -15.022 4.513 1.00 0.00 N ATOM 0 H ARG A 29 -4.461 -14.873 1.010 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.411 -12.377 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.873 -13.500 2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.245 -11.788 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.973 -12.888 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.675 -12.355 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.829 -14.522 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.518 -15.129 2.522 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.066 -15.714 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.400 -13.174 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.984 -13.213 2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.104 -15.759 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.382 -14.671 4.588 1.00 0.00 H new ATOM 449 N ALA A 30 -2.210 -12.596 -0.043 1.00 0.00 N ATOM 450 CA ALA A 30 -1.019 -11.899 -0.512 1.00 0.00 C ATOM 451 C ALA A 30 -1.174 -11.464 -1.965 1.00 0.00 C ATOM 452 O ALA A 30 -1.814 -12.148 -2.764 1.00 0.00 O ATOM 453 CB ALA A 30 0.208 -12.784 -0.352 1.00 0.00 C ATOM 0 H ALA A 30 -2.113 -13.610 0.007 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.889 -11.004 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.090 -12.251 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.337 -13.040 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.077 -13.696 -0.934 1.00 0.00 H new ATOM 459 N CYS A 31 -0.586 -10.321 -2.301 1.00 0.00 N ATOM 460 CA CYS A 31 -0.659 -9.793 -3.658 1.00 0.00 C ATOM 461 C CYS A 31 0.623 -10.094 -4.429 1.00 0.00 C ATOM 462 O CYS A 31 1.711 -9.672 -4.036 1.00 0.00 O ATOM 463 CB CYS A 31 -0.907 -8.284 -3.628 1.00 0.00 C ATOM 464 SG CYS A 31 -2.087 -7.698 -4.886 1.00 0.00 S ATOM 0 H CYS A 31 -0.053 -9.742 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.491 -10.281 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.278 -8.007 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.043 -7.768 -3.768 1.00 0.00 H new ATOM 469 N LYS A 32 0.487 -10.825 -5.530 1.00 0.00 N ATOM 470 CA LYS A 32 1.633 -11.182 -6.358 1.00 0.00 C ATOM 471 C LYS A 32 1.259 -11.175 -7.837 1.00 0.00 C ATOM 472 O LYS A 32 0.112 -11.439 -8.198 1.00 0.00 O ATOM 473 CB LYS A 32 2.164 -12.562 -5.963 1.00 0.00 C ATOM 474 CG LYS A 32 1.408 -13.712 -6.604 1.00 0.00 C ATOM 475 CD LYS A 32 1.412 -14.946 -5.717 1.00 0.00 C ATOM 476 CE LYS A 32 2.588 -15.857 -6.036 1.00 0.00 C ATOM 477 NZ LYS A 32 2.482 -17.164 -5.330 1.00 0.00 N ATOM 0 H LYS A 32 -0.406 -11.182 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 32 2.413 -10.438 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.216 -12.630 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.113 -12.665 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.380 -13.408 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.859 -13.953 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.458 -14.643 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.479 -15.494 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.634 -16.028 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.517 -15.364 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.301 -17.757 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.463 -17.003 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.608 -17.646 -5.621 1.00 0.00 H new ATOM 491 N TYR A 33 2.233 -10.873 -8.688 1.00 0.00 N ATOM 492 CA TYR A 33 2.005 -10.830 -10.127 1.00 0.00 C ATOM 493 C TYR A 33 1.308 -12.100 -10.606 1.00 0.00 C ATOM 494 O TYR A 33 1.554 -13.189 -10.087 1.00 0.00 O ATOM 495 CB TYR A 33 3.331 -10.652 -10.869 1.00 0.00 C ATOM 496 CG TYR A 33 4.203 -11.888 -10.857 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.084 -12.129 -9.810 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.144 -12.814 -11.890 1.00 0.00 C ATOM 499 CE1 TYR A 33 5.883 -13.256 -9.795 1.00 0.00 C ATOM 500 CE2 TYR A 33 4.938 -13.944 -11.883 1.00 0.00 C ATOM 501 CZ TYR A 33 5.806 -14.161 -10.833 1.00 0.00 C ATOM 502 OH TYR A 33 6.600 -15.285 -10.821 1.00 0.00 O ATOM 0 H TYR A 33 3.188 -10.654 -8.406 1.00 0.00 H new ATOM 0 HA TYR A 33 1.359 -9.979 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.125 -10.373 -11.902 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.881 -9.825 -10.419 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.145 -11.424 -8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.465 -12.648 -12.713 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.564 -13.427 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.880 -14.654 -12.695 1.00 0.00 H new ATOM 0 HH TYR A 33 6.423 -15.819 -11.623 1.00 0.00 H new ATOM 512 N GLN A 34 0.437 -11.951 -11.599 1.00 0.00 N ATOM 513 CA GLN A 34 -0.296 -13.085 -12.149 1.00 0.00 C ATOM 514 C GLN A 34 0.590 -13.907 -13.079 1.00 0.00 C ATOM 515 O GLN A 34 1.058 -13.411 -14.104 1.00 0.00 O ATOM 516 CB GLN A 34 -1.536 -12.600 -12.902 1.00 0.00 C ATOM 517 CG GLN A 34 -2.405 -13.729 -13.432 1.00 0.00 C ATOM 518 CD GLN A 34 -3.162 -13.343 -14.687 1.00 0.00 C ATOM 519 OE1 GLN A 34 -3.155 -14.072 -15.679 1.00 0.00 O ATOM 520 NE2 GLN A 34 -3.821 -12.191 -14.651 1.00 0.00 N ATOM 0 H GLN A 34 0.222 -11.056 -12.039 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.608 -13.720 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.133 -11.974 -12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.222 -11.972 -13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.779 -14.596 -13.642 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.115 -14.028 -12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.800 -11.618 -13.808 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.348 -11.879 -15.467 1.00 0.00 H new ATOM 529 N ILE A 35 0.816 -15.164 -12.714 1.00 0.00 N ATOM 530 CA ILE A 35 1.645 -16.055 -13.516 1.00 0.00 C ATOM 531 C ILE A 35 1.177 -16.083 -14.967 1.00 0.00 C ATOM 532 O ILE A 35 1.988 -16.133 -15.892 1.00 0.00 O ATOM 533 CB ILE A 35 1.635 -17.490 -12.957 1.00 0.00 C ATOM 534 CG1 ILE A 35 2.691 -18.343 -13.663 1.00 0.00 C ATOM 535 CG2 ILE A 35 0.254 -18.110 -13.115 1.00 0.00 C ATOM 536 CD1 ILE A 35 4.080 -18.183 -13.086 1.00 0.00 C ATOM 0 H ILE A 35 0.437 -15.589 -11.868 1.00 0.00 H new ATOM 0 HA ILE A 35 2.662 -15.665 -13.472 1.00 0.00 H new ATOM 0 HB ILE A 35 1.876 -17.452 -11.895 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.400 -19.392 -13.602 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.713 -18.079 -14.720 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.263 -19.124 -12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.478 -17.512 -12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.013 -18.138 -14.171 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.777 -18.816 -13.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.392 -17.142 -13.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.074 -18.475 -12.036 1.00 0.00 H new TER 548 ILE A 35