USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 298 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 33.532 12.304 -22.421 1.00 0.00 N ATOM 37 CA LEU A 3 32.576 13.125 -21.679 1.00 0.00 C ATOM 38 C LEU A 3 32.066 12.425 -20.416 1.00 0.00 C ATOM 39 O LEU A 3 31.625 13.089 -19.478 1.00 0.00 O ATOM 40 CB LEU A 3 31.386 13.476 -22.576 1.00 0.00 C ATOM 41 CG LEU A 3 31.868 14.196 -23.839 1.00 0.00 C ATOM 42 CD1 LEU A 3 30.676 14.455 -24.762 1.00 0.00 C ATOM 43 CD2 LEU A 3 32.509 15.535 -23.462 1.00 0.00 C ATOM 0 HA LEU A 3 33.100 14.030 -21.371 1.00 0.00 H new ATOM 0 HB2 LEU A 3 30.848 12.569 -22.849 1.00 0.00 H new ATOM 0 HB3 LEU A 3 30.686 14.110 -22.032 1.00 0.00 H new ATOM 0 HG LEU A 3 32.603 13.572 -24.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 31.017 14.967 -25.662 1.00 0.00 H new ATOM 0 HD12 LEU A 3 30.216 13.506 -25.037 1.00 0.00 H new ATOM 0 HD13 LEU A 3 29.944 15.076 -24.246 1.00 0.00 H new ATOM 0 HD21 LEU A 3 32.850 16.042 -24.365 1.00 0.00 H new ATOM 0 HD22 LEU A 3 31.776 16.158 -22.950 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.359 15.359 -22.802 1.00 0.00 H new ATOM 55 N LEU A 4 32.094 11.093 -20.396 1.00 0.00 N ATOM 56 CA LEU A 4 31.604 10.344 -19.239 1.00 0.00 C ATOM 57 C LEU A 4 32.337 10.728 -17.951 1.00 0.00 C ATOM 58 O LEU A 4 31.784 10.599 -16.859 1.00 0.00 O ATOM 59 CB LEU A 4 31.762 8.841 -19.485 1.00 0.00 C ATOM 60 CG LEU A 4 30.721 8.373 -20.506 1.00 0.00 C ATOM 61 CD1 LEU A 4 31.231 8.634 -21.925 1.00 0.00 C ATOM 62 CD2 LEU A 4 30.471 6.874 -20.327 1.00 0.00 C ATOM 0 H LEU A 4 32.447 10.515 -21.159 1.00 0.00 H new ATOM 0 HA LEU A 4 30.551 10.595 -19.112 1.00 0.00 H new ATOM 0 HB2 LEU A 4 32.766 8.626 -19.850 1.00 0.00 H new ATOM 0 HB3 LEU A 4 31.639 8.295 -18.550 1.00 0.00 H new ATOM 0 HG LEU A 4 29.793 8.923 -20.349 1.00 0.00 H new ATOM 0 HD11 LEU A 4 30.486 8.299 -22.647 1.00 0.00 H new ATOM 0 HD12 LEU A 4 31.410 9.701 -22.057 1.00 0.00 H new ATOM 0 HD13 LEU A 4 32.161 8.088 -22.084 1.00 0.00 H new ATOM 0 HD21 LEU A 4 29.730 6.539 -21.053 1.00 0.00 H new ATOM 0 HD22 LEU A 4 31.402 6.329 -20.481 1.00 0.00 H new ATOM 0 HD23 LEU A 4 30.102 6.684 -19.319 1.00 0.00 H new ATOM 74 N GLU A 5 33.577 11.199 -18.074 1.00 0.00 N ATOM 75 CA GLU A 5 34.353 11.608 -16.903 1.00 0.00 C ATOM 76 C GLU A 5 34.100 13.069 -16.503 1.00 0.00 C ATOM 77 O GLU A 5 34.407 13.463 -15.379 1.00 0.00 O ATOM 78 CB GLU A 5 35.845 11.412 -17.183 1.00 0.00 C ATOM 79 CG GLU A 5 36.128 9.923 -17.414 1.00 0.00 C ATOM 80 CD GLU A 5 37.623 9.649 -17.609 1.00 0.00 C ATOM 81 OE1 GLU A 5 38.391 10.591 -17.745 1.00 0.00 O ATOM 82 OE2 GLU A 5 37.983 8.483 -17.620 1.00 0.00 O ATOM 0 H GLU A 5 34.063 11.307 -18.964 1.00 0.00 H new ATOM 0 HA GLU A 5 34.031 10.982 -16.071 1.00 0.00 H new ATOM 0 HB2 GLU A 5 36.141 11.990 -18.058 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.435 11.780 -16.344 1.00 0.00 H new ATOM 0 HG2 GLU A 5 35.761 9.348 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 5 35.579 9.581 -18.291 1.00 0.00 H new ATOM 89 N GLY A 6 33.546 13.869 -17.412 1.00 0.00 N ATOM 90 CA GLY A 6 33.240 15.268 -17.115 1.00 0.00 C ATOM 91 C GLY A 6 31.797 15.490 -16.641 1.00 0.00 C ATOM 92 O GLY A 6 31.376 16.638 -16.488 1.00 0.00 O ATOM 0 H GLY A 6 33.300 13.574 -18.357 1.00 0.00 H new ATOM 0 HA2 GLY A 6 33.926 15.627 -16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 6 33.418 15.868 -18.007 1.00 0.00 H new ATOM 96 N GLU A 7 31.036 14.419 -16.407 1.00 0.00 N ATOM 97 CA GLU A 7 29.638 14.555 -16.014 1.00 0.00 C ATOM 98 C GLU A 7 29.531 14.699 -14.498 1.00 0.00 C ATOM 99 O GLU A 7 30.354 14.164 -13.756 1.00 0.00 O ATOM 100 CB GLU A 7 28.851 13.329 -16.485 1.00 0.00 C ATOM 101 CG GLU A 7 27.348 13.557 -16.278 1.00 0.00 C ATOM 102 CD GLU A 7 26.523 12.324 -16.669 1.00 0.00 C ATOM 103 OE1 GLU A 7 27.096 11.316 -17.056 1.00 0.00 O ATOM 104 OE2 GLU A 7 25.310 12.411 -16.574 1.00 0.00 O ATOM 0 H GLU A 7 31.364 13.456 -16.483 1.00 0.00 H new ATOM 0 HA GLU A 7 29.220 15.448 -16.479 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.056 13.138 -17.538 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.173 12.446 -15.932 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.159 13.804 -15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.026 14.413 -16.871 1.00 0.00 H new ATOM 111 N ILE A 8 28.511 15.422 -14.047 1.00 0.00 N ATOM 112 CA ILE A 8 28.358 15.704 -12.623 1.00 0.00 C ATOM 113 C ILE A 8 27.754 14.496 -11.896 1.00 0.00 C ATOM 114 O ILE A 8 26.910 13.806 -12.471 1.00 0.00 O ATOM 115 CB ILE A 8 27.470 16.937 -12.422 1.00 0.00 C ATOM 116 CG1 ILE A 8 26.060 16.687 -12.999 1.00 0.00 C ATOM 117 CG2 ILE A 8 28.120 18.134 -13.126 1.00 0.00 C ATOM 118 CD1 ILE A 8 25.112 16.178 -11.905 1.00 0.00 C ATOM 0 H ILE A 8 27.783 15.821 -14.641 1.00 0.00 H new ATOM 0 HA ILE A 8 29.344 15.904 -12.203 1.00 0.00 H new ATOM 0 HB ILE A 8 27.370 17.142 -11.356 1.00 0.00 H new ATOM 0 HG12 ILE A 8 25.668 17.609 -13.428 1.00 0.00 H new ATOM 0 HG13 ILE A 8 26.116 15.958 -13.808 1.00 0.00 H new ATOM 0 HG21 ILE A 8 27.497 19.018 -12.990 1.00 0.00 H new ATOM 0 HG22 ILE A 8 29.106 18.316 -12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 8 28.219 17.920 -14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 8 24.123 16.008 -12.331 1.00 0.00 H new ATOM 0 HD12 ILE A 8 25.497 15.244 -11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 8 25.042 16.921 -11.110 1.00 0.00 H new ATOM 130 N PRO A 9 28.167 14.198 -10.679 1.00 0.00 N ATOM 131 CA PRO A 9 27.599 13.036 -9.926 1.00 0.00 C ATOM 132 C PRO A 9 26.128 13.258 -9.587 1.00 0.00 C ATOM 133 O PRO A 9 25.696 14.392 -9.382 1.00 0.00 O ATOM 134 CB PRO A 9 28.447 12.945 -8.654 1.00 0.00 C ATOM 135 CG PRO A 9 29.006 14.312 -8.457 1.00 0.00 C ATOM 136 CD PRO A 9 29.161 14.914 -9.852 1.00 0.00 C ATOM 0 HA PRO A 9 27.632 12.117 -10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 27.843 12.640 -7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 9 29.242 12.207 -8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 9 28.342 14.919 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.966 14.270 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.971 15.987 -9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 9 30.172 14.772 -10.235 1.00 0.00 H new ATOM 144 N PHE A 10 25.361 12.172 -9.527 1.00 0.00 N ATOM 145 CA PHE A 10 23.928 12.278 -9.266 1.00 0.00 C ATOM 146 C PHE A 10 23.673 13.047 -7.963 1.00 0.00 C ATOM 147 O PHE A 10 24.455 12.926 -7.019 1.00 0.00 O ATOM 148 CB PHE A 10 23.307 10.883 -9.179 1.00 0.00 C ATOM 149 CG PHE A 10 23.097 10.239 -10.528 1.00 0.00 C ATOM 150 CD1 PHE A 10 24.167 9.617 -11.184 1.00 0.00 C ATOM 151 CD2 PHE A 10 21.831 10.264 -11.126 1.00 0.00 C ATOM 152 CE1 PHE A 10 23.970 9.022 -12.436 1.00 0.00 C ATOM 153 CE2 PHE A 10 21.634 9.670 -12.378 1.00 0.00 C ATOM 154 CZ PHE A 10 22.704 9.049 -13.033 1.00 0.00 C ATOM 0 H PHE A 10 25.702 11.219 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 10 23.466 12.824 -10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 10 23.950 10.243 -8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 10 22.349 10.951 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 10 25.144 9.596 -10.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.005 10.742 -10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 10 24.795 8.542 -12.941 1.00 0.00 H new ATOM 0 HE2 PHE A 10 20.657 9.691 -12.838 1.00 0.00 H new ATOM 0 HZ PHE A 10 22.553 8.591 -13.999 1.00 0.00 H new ATOM 164 N PRO A 11 22.612 13.823 -7.878 1.00 0.00 N ATOM 165 CA PRO A 11 22.434 14.769 -6.733 1.00 0.00 C ATOM 166 C PRO A 11 22.473 14.159 -5.317 1.00 0.00 C ATOM 167 O PRO A 11 22.884 14.880 -4.402 1.00 0.00 O ATOM 168 CB PRO A 11 21.087 15.462 -6.997 1.00 0.00 C ATOM 169 CG PRO A 11 20.394 14.664 -8.049 1.00 0.00 C ATOM 170 CD PRO A 11 21.466 13.888 -8.809 1.00 0.00 C ATOM 0 HA PRO A 11 23.290 15.444 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.489 15.505 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.239 16.490 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.671 13.982 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.840 15.317 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 11 21.117 12.891 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 11 21.737 14.392 -9.737 1.00 0.00 H new ATOM 178 N PRO A 12 22.083 12.915 -5.072 1.00 0.00 N ATOM 179 CA PRO A 12 22.201 12.335 -3.694 1.00 0.00 C ATOM 180 C PRO A 12 23.633 12.383 -3.169 1.00 0.00 C ATOM 181 O PRO A 12 24.587 12.129 -3.904 1.00 0.00 O ATOM 182 CB PRO A 12 21.729 10.888 -3.840 1.00 0.00 C ATOM 183 CG PRO A 12 20.857 10.882 -5.047 1.00 0.00 C ATOM 184 CD PRO A 12 21.411 11.959 -5.975 1.00 0.00 C ATOM 0 HA PRO A 12 21.610 12.902 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 12 22.573 10.209 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 12 21.181 10.562 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.869 9.906 -5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.821 11.092 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.109 11.539 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.615 12.441 -6.543 1.00 0.00 H new ATOM 192 N THR A 13 23.769 12.713 -1.888 1.00 0.00 N ATOM 193 CA THR A 13 25.070 12.693 -1.223 1.00 0.00 C ATOM 194 C THR A 13 25.718 11.305 -1.237 1.00 0.00 C ATOM 195 O THR A 13 26.940 11.184 -1.108 1.00 0.00 O ATOM 196 CB THR A 13 24.917 13.162 0.226 1.00 0.00 C ATOM 197 OG1 THR A 13 26.181 13.115 0.873 1.00 0.00 O ATOM 198 CG2 THR A 13 23.932 12.251 0.960 1.00 0.00 C ATOM 0 H THR A 13 22.994 12.998 -1.289 1.00 0.00 H new ATOM 0 HA THR A 13 25.723 13.367 -1.778 1.00 0.00 H new ATOM 0 HB THR A 13 24.539 14.184 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 13 26.085 13.416 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 13 23.825 12.587 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.962 12.289 0.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 24.306 11.227 0.949 1.00 0.00 H new ATOM 206 N SER A 14 24.907 10.253 -1.355 1.00 0.00 N ATOM 207 CA SER A 14 25.427 8.899 -1.197 1.00 0.00 C ATOM 208 C SER A 14 26.547 8.617 -2.193 1.00 0.00 C ATOM 209 O SER A 14 27.495 7.899 -1.867 1.00 0.00 O ATOM 210 CB SER A 14 24.301 7.884 -1.398 1.00 0.00 C ATOM 211 OG SER A 14 24.785 6.586 -1.079 1.00 0.00 O ATOM 0 H SER A 14 23.909 10.311 -1.555 1.00 0.00 H new ATOM 0 HA SER A 14 25.832 8.809 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.451 8.135 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.949 7.912 -2.429 1.00 0.00 H new ATOM 0 HG SER A 14 24.068 5.930 -1.204 1.00 0.00 H new ATOM 217 N ILE A 15 26.460 9.193 -3.394 1.00 0.00 N ATOM 218 CA ILE A 15 27.524 8.982 -4.376 1.00 0.00 C ATOM 219 C ILE A 15 28.865 9.473 -3.826 1.00 0.00 C ATOM 220 O ILE A 15 29.906 8.844 -4.040 1.00 0.00 O ATOM 221 CB ILE A 15 27.197 9.724 -5.678 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.811 9.312 -6.206 1.00 0.00 C ATOM 223 CG2 ILE A 15 28.255 9.406 -6.738 1.00 0.00 C ATOM 224 CD1 ILE A 15 25.711 7.795 -6.430 1.00 0.00 C ATOM 0 H ILE A 15 25.692 9.789 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 15 27.596 7.914 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 15 27.193 10.794 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 15 25.045 9.626 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.610 9.831 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 15 28.017 9.936 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 15 29.235 9.722 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.267 8.333 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 15 24.717 7.547 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.460 7.485 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.885 7.276 -5.488 1.00 0.00 H new ATOM 236 N LEU A 16 28.836 10.571 -3.067 1.00 0.00 N ATOM 237 CA LEU A 16 30.039 11.028 -2.382 1.00 0.00 C ATOM 238 C LEU A 16 30.544 9.973 -1.401 1.00 0.00 C ATOM 239 O LEU A 16 31.752 9.782 -1.248 1.00 0.00 O ATOM 240 CB LEU A 16 29.742 12.329 -1.631 1.00 0.00 C ATOM 241 CG LEU A 16 31.042 12.922 -1.082 1.00 0.00 C ATOM 242 CD1 LEU A 16 31.778 13.666 -2.199 1.00 0.00 C ATOM 243 CD2 LEU A 16 30.716 13.899 0.051 1.00 0.00 C ATOM 0 H LEU A 16 28.009 11.148 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 16 30.814 11.202 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 16 29.260 13.043 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 29.046 12.137 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 16 31.675 12.120 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 32.703 14.088 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 16 32.009 12.972 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 16 31.146 14.469 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 16 31.640 14.323 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 16 30.083 14.700 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 16 30.192 13.371 0.848 1.00 0.00 H new ATOM 255 N LEU A 17 29.616 9.260 -0.756 1.00 0.00 N ATOM 256 CA LEU A 17 30.019 8.187 0.150 1.00 0.00 C ATOM 257 C LEU A 17 30.813 7.115 -0.590 1.00 0.00 C ATOM 258 O LEU A 17 31.749 6.534 -0.036 1.00 0.00 O ATOM 259 CB LEU A 17 28.796 7.553 0.818 1.00 0.00 C ATOM 260 CG LEU A 17 29.257 6.637 1.952 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.766 7.487 3.119 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.083 5.777 2.423 1.00 0.00 C ATOM 0 H LEU A 17 28.609 9.402 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 17 30.655 8.626 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.137 8.329 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.222 6.984 0.087 1.00 0.00 H new ATOM 0 HG LEU A 17 30.059 5.992 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.095 6.835 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.603 8.100 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.963 8.132 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.412 5.124 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.280 6.422 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.719 5.172 1.593 1.00 0.00 H new ATOM 274 N LEU A 18 30.456 6.866 -1.853 1.00 0.00 N ATOM 275 CA LEU A 18 31.213 5.907 -2.653 1.00 0.00 C ATOM 276 C LEU A 18 32.667 6.347 -2.800 1.00 0.00 C ATOM 277 O LEU A 18 33.581 5.518 -2.772 1.00 0.00 O ATOM 278 CB LEU A 18 30.582 5.759 -4.040 1.00 0.00 C ATOM 279 CG LEU A 18 29.130 5.297 -3.902 1.00 0.00 C ATOM 280 CD1 LEU A 18 28.469 5.278 -5.281 1.00 0.00 C ATOM 281 CD2 LEU A 18 29.095 3.887 -3.310 1.00 0.00 C ATOM 0 H LEU A 18 29.668 7.303 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 18 31.188 4.946 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.622 6.710 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.148 5.039 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 18 28.594 5.983 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 18 27.434 4.949 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.493 6.280 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 18 29.008 4.592 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.060 3.559 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.632 3.203 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.568 3.893 -2.328 1.00 0.00 H new ATOM 293 N LEU A 19 32.887 7.659 -2.912 1.00 0.00 N ATOM 294 CA LEU A 19 34.256 8.175 -2.877 1.00 0.00 C ATOM 295 C LEU A 19 34.936 7.832 -1.551 1.00 0.00 C ATOM 296 O LEU A 19 36.139 7.568 -1.509 1.00 0.00 O ATOM 297 CB LEU A 19 34.271 9.694 -3.087 1.00 0.00 C ATOM 298 CG LEU A 19 33.556 10.049 -4.394 1.00 0.00 C ATOM 299 CD1 LEU A 19 33.497 11.571 -4.544 1.00 0.00 C ATOM 300 CD2 LEU A 19 34.323 9.456 -5.582 1.00 0.00 C ATOM 0 H LEU A 19 32.159 8.365 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 19 34.808 7.700 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.782 10.190 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.299 10.055 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 19 32.546 9.640 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.988 11.826 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.951 11.999 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.509 11.974 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.811 9.711 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.334 9.863 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.370 8.372 -5.480 1.00 0.00 H new ATOM 312 N ALA A 20 34.155 7.791 -0.472 1.00 0.00 N ATOM 313 CA ALA A 20 34.686 7.364 0.819 1.00 0.00 C ATOM 314 C ALA A 20 35.190 5.926 0.751 1.00 0.00 C ATOM 315 O ALA A 20 36.216 5.587 1.345 1.00 0.00 O ATOM 316 CB ALA A 20 33.602 7.477 1.893 1.00 0.00 C ATOM 0 H ALA A 20 33.167 8.044 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 20 35.523 8.014 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.006 7.157 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.269 8.512 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.757 6.843 1.625 1.00 0.00 H new ATOM 322 N CYS A 21 34.484 5.082 0.000 1.00 0.00 N ATOM 323 CA CYS A 21 34.936 3.708 -0.183 1.00 0.00 C ATOM 324 C CYS A 21 36.315 3.689 -0.837 1.00 0.00 C ATOM 325 O CYS A 21 37.187 2.902 -0.456 1.00 0.00 O ATOM 326 CB CYS A 21 33.932 2.941 -1.053 1.00 0.00 C ATOM 327 SG CYS A 21 33.868 1.209 -0.529 1.00 0.00 S ATOM 0 H CYS A 21 33.616 5.320 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 21 35.004 3.226 0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 21 32.944 3.393 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.223 3.003 -2.102 1.00 0.00 H new ATOM 0 HG CYS A 21 33.015 0.564 -1.267 1.00 0.00 H new ATOM 333 N ILE A 22 36.527 4.584 -1.802 1.00 0.00 N ATOM 334 CA ILE A 22 37.844 4.696 -2.422 1.00 0.00 C ATOM 335 C ILE A 22 38.904 5.046 -1.376 1.00 0.00 C ATOM 336 O ILE A 22 40.036 4.562 -1.443 1.00 0.00 O ATOM 337 CB ILE A 22 37.825 5.772 -3.516 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.701 5.503 -4.531 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.170 5.794 -4.245 1.00 0.00 C ATOM 340 CD1 ILE A 22 36.859 4.124 -5.186 1.00 0.00 C ATOM 0 H ILE A 22 35.822 5.227 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 22 38.094 3.733 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 22 37.645 6.737 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 22 35.734 5.562 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.709 6.276 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.151 6.560 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 22 39.966 6.017 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.353 4.821 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.049 3.964 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.815 4.076 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.825 3.351 -4.419 1.00 0.00 H new ATOM 352 N PHE A 23 38.530 5.863 -0.387 1.00 0.00 N ATOM 353 CA PHE A 23 39.455 6.161 0.705 1.00 0.00 C ATOM 354 C PHE A 23 39.846 4.887 1.451 1.00 0.00 C ATOM 355 O PHE A 23 40.984 4.750 1.903 1.00 0.00 O ATOM 356 CB PHE A 23 38.835 7.160 1.684 1.00 0.00 C ATOM 357 CG PHE A 23 39.827 7.714 2.679 1.00 0.00 C ATOM 358 CD1 PHE A 23 40.608 8.825 2.342 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.965 7.117 3.938 1.00 0.00 C ATOM 360 CE1 PHE A 23 41.527 9.340 3.264 1.00 0.00 C ATOM 361 CE2 PHE A 23 40.884 7.632 4.859 1.00 0.00 C ATOM 362 CZ PHE A 23 41.666 8.743 4.522 1.00 0.00 C ATOM 0 H PHE A 23 37.619 6.318 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 23 40.351 6.602 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 23 38.396 7.984 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 23 38.023 6.673 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 23 40.502 9.285 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.362 6.259 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.129 10.198 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 23 40.990 7.172 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 23 42.376 9.139 5.233 1.00 0.00 H new ATOM 372 N LEU A 24 38.911 3.939 1.560 1.00 0.00 N ATOM 373 CA LEU A 24 39.238 2.659 2.186 1.00 0.00 C ATOM 374 C LEU A 24 40.359 1.957 1.424 1.00 0.00 C ATOM 375 O LEU A 24 41.236 1.331 2.026 1.00 0.00 O ATOM 376 CB LEU A 24 38.001 1.756 2.217 1.00 0.00 C ATOM 377 CG LEU A 24 38.281 0.529 3.086 1.00 0.00 C ATOM 378 CD1 LEU A 24 38.087 0.891 4.561 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.318 -0.597 2.703 1.00 0.00 C ATOM 0 H LEU A 24 37.949 4.029 1.233 1.00 0.00 H new ATOM 0 HA LEU A 24 39.571 2.854 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.147 2.306 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.740 1.445 1.205 1.00 0.00 H new ATOM 0 HG LEU A 24 39.307 0.198 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.287 0.016 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.775 1.692 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 24 37.061 1.223 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.517 -1.472 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.291 -0.267 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.459 -0.855 1.653 1.00 0.00 H new ATOM 391 N ILE A 25 40.358 2.096 0.096 1.00 0.00 N ATOM 392 CA ILE A 25 41.456 1.544 -0.695 1.00 0.00 C ATOM 393 C ILE A 25 42.784 2.186 -0.291 1.00 0.00 C ATOM 394 O ILE A 25 43.818 1.513 -0.232 1.00 0.00 O ATOM 395 CB ILE A 25 41.203 1.767 -2.193 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.854 1.157 -2.584 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.306 1.090 -3.013 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.519 1.536 -4.028 1.00 0.00 C ATOM 0 H ILE A 25 39.632 2.571 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 25 41.510 0.473 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 25 41.199 2.838 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.890 0.072 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.073 1.515 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.121 1.252 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.273 1.516 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.310 0.020 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.559 1.101 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.465 2.621 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.295 1.156 -4.693 1.00 0.00 H new ATOM 410 N LYS A 26 42.751 3.485 0.024 1.00 0.00 N ATOM 411 CA LYS A 26 43.963 4.153 0.497 1.00 0.00 C ATOM 412 C LYS A 26 44.479 3.508 1.780 1.00 0.00 C ATOM 413 O LYS A 26 45.690 3.412 1.991 1.00 0.00 O ATOM 414 CB LYS A 26 43.698 5.642 0.735 1.00 0.00 C ATOM 415 CG LYS A 26 45.010 6.365 1.056 1.00 0.00 C ATOM 416 CD LYS A 26 45.835 6.544 -0.220 1.00 0.00 C ATOM 417 CE LYS A 26 47.094 7.354 0.096 1.00 0.00 C ATOM 418 NZ LYS A 26 47.774 7.732 -1.175 1.00 0.00 N ATOM 0 H LYS A 26 41.924 4.078 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 26 44.725 4.046 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.237 6.083 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.994 5.767 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 26 44.799 7.337 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.579 5.794 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 46.109 5.571 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 26 45.243 7.054 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 26 46.831 8.249 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 26 47.768 6.769 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 48.630 8.283 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 48.037 6.872 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 47.130 8.306 -1.756 1.00 0.00 H new ATOM 432 N ILE A 27 43.562 3.034 2.628 1.00 0.00 N ATOM 433 CA ILE A 27 43.978 2.290 3.817 1.00 0.00 C ATOM 434 C ILE A 27 44.754 1.031 3.422 1.00 0.00 C ATOM 435 O ILE A 27 45.699 0.635 4.108 1.00 0.00 O ATOM 436 CB ILE A 27 42.767 1.911 4.679 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.973 3.175 5.032 1.00 0.00 C ATOM 438 CG2 ILE A 27 43.244 1.246 5.975 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.691 2.805 5.786 1.00 0.00 C ATOM 0 H ILE A 27 42.554 3.148 2.518 1.00 0.00 H new ATOM 0 HA ILE A 27 44.631 2.936 4.403 1.00 0.00 H new ATOM 0 HB ILE A 27 42.135 1.220 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.585 3.838 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.723 3.722 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.382 0.978 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.812 0.347 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.878 1.939 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.138 3.712 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 27 40.074 2.161 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.949 2.279 6.705 1.00 0.00 H new ATOM 451 N LEU A 28 44.379 0.424 2.295 1.00 0.00 N ATOM 452 CA LEU A 28 45.151 -0.699 1.769 1.00 0.00 C ATOM 453 C LEU A 28 46.596 -0.271 1.489 1.00 0.00 C ATOM 454 O LEU A 28 47.530 -1.051 1.671 1.00 0.00 O ATOM 455 CB LEU A 28 44.495 -1.205 0.474 1.00 0.00 C ATOM 456 CG LEU A 28 44.670 -2.722 0.284 1.00 0.00 C ATOM 457 CD1 LEU A 28 46.148 -3.121 0.337 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.896 -3.476 1.370 1.00 0.00 C ATOM 0 H LEU A 28 43.564 0.685 1.740 1.00 0.00 H new ATOM 0 HA LEU A 28 45.165 -1.499 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.432 -0.963 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.928 -0.682 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 28 44.278 -2.986 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 28 46.239 -4.198 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 28 46.692 -2.607 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 28 46.566 -2.842 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.024 -4.549 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 28 44.275 -3.191 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.837 -3.225 1.303 1.00 0.00 H new ATOM 470 N ALA A 29 46.775 0.982 1.072 1.00 0.00 N ATOM 471 CA ALA A 29 48.112 1.561 0.965 1.00 0.00 C ATOM 472 C ALA A 29 48.798 1.632 2.329 1.00 0.00 C ATOM 473 O ALA A 29 50.008 1.425 2.446 1.00 0.00 O ATOM 474 CB ALA A 29 48.023 2.966 0.366 1.00 0.00 C ATOM 0 H ALA A 29 46.017 1.611 0.805 1.00 0.00 H new ATOM 0 HA ALA A 29 48.706 0.918 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 29 49.023 3.393 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.574 2.911 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.408 3.597 1.008 1.00 0.00 H new ATOM 480 N ALA A 30 48.013 1.908 3.371 1.00 0.00 N ATOM 481 CA ALA A 30 48.561 1.951 4.724 1.00 0.00 C ATOM 482 C ALA A 30 49.180 0.608 5.103 1.00 0.00 C ATOM 483 O ALA A 30 50.199 0.558 5.795 1.00 0.00 O ATOM 484 CB ALA A 30 47.454 2.302 5.720 1.00 0.00 C ATOM 0 H ALA A 30 47.014 2.102 3.306 1.00 0.00 H new ATOM 0 HA ALA A 30 49.339 2.714 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.868 2.333 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.035 3.277 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.669 1.547 5.673 1.00 0.00 H new ATOM 490 N SER A 31 48.584 -0.481 4.623 1.00 0.00 N ATOM 491 CA SER A 31 49.165 -1.801 4.838 1.00 0.00 C ATOM 492 C SER A 31 50.573 -1.876 4.247 1.00 0.00 C ATOM 493 O SER A 31 51.462 -2.512 4.818 1.00 0.00 O ATOM 494 CB SER A 31 48.283 -2.871 4.193 1.00 0.00 C ATOM 495 OG SER A 31 46.961 -2.753 4.701 1.00 0.00 O ATOM 0 H SER A 31 47.714 -0.476 4.091 1.00 0.00 H new ATOM 0 HA SER A 31 49.226 -1.977 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 31 48.281 -2.754 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.680 -3.864 4.405 1.00 0.00 H new ATOM 0 HG SER A 31 46.390 -3.435 4.290 1.00 0.00 H new ATOM 501 N ALA A 32 50.791 -1.192 3.122 1.00 0.00 N ATOM 502 CA ALA A 32 52.125 -1.148 2.536 1.00 0.00 C ATOM 503 C ALA A 32 53.108 -0.501 3.509 1.00 0.00 C ATOM 504 O ALA A 32 54.237 -0.971 3.679 1.00 0.00 O ATOM 505 CB ALA A 32 52.098 -0.353 1.230 1.00 0.00 C ATOM 0 H ALA A 32 50.077 -0.673 2.611 1.00 0.00 H new ATOM 0 HA ALA A 32 52.448 -2.168 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 32 53.099 -0.326 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.414 -0.830 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.761 0.664 1.430 1.00 0.00 H new ATOM 511 N LEU A 33 52.664 0.567 4.175 1.00 0.00 N ATOM 512 CA LEU A 33 53.512 1.216 5.169 1.00 0.00 C ATOM 513 C LEU A 33 53.890 0.244 6.286 1.00 0.00 C ATOM 514 O LEU A 33 55.010 0.283 6.800 1.00 0.00 O ATOM 515 CB LEU A 33 52.785 2.422 5.772 1.00 0.00 C ATOM 516 CG LEU A 33 52.367 3.398 4.666 1.00 0.00 C ATOM 517 CD1 LEU A 33 51.580 4.556 5.283 1.00 0.00 C ATOM 518 CD2 LEU A 33 53.610 3.955 3.966 1.00 0.00 C ATOM 0 H LEU A 33 51.745 0.990 4.047 1.00 0.00 H new ATOM 0 HA LEU A 33 54.423 1.547 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 51.906 2.087 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 53.435 2.928 6.486 1.00 0.00 H new ATOM 0 HG LEU A 33 51.747 2.872 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 33 51.281 5.252 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 33 50.692 4.168 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 52.206 5.075 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 33 53.306 4.648 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.232 4.479 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.178 3.135 3.526 1.00 0.00 H new ATOM 530 N TRP A 34 52.965 -0.653 6.641 1.00 0.00 N ATOM 531 CA TRP A 34 53.289 -1.699 7.609 1.00 0.00 C ATOM 532 C TRP A 34 54.444 -2.572 7.117 1.00 0.00 C ATOM 533 O TRP A 34 55.256 -3.047 7.911 1.00 0.00 O ATOM 534 CB TRP A 34 52.064 -2.574 7.879 1.00 0.00 C ATOM 535 CG TRP A 34 52.245 -3.513 9.030 1.00 0.00 C ATOM 536 CD1 TRP A 34 52.453 -4.846 8.918 1.00 0.00 C ATOM 537 CD2 TRP A 34 52.237 -3.218 10.458 1.00 0.00 C ATOM 538 NE1 TRP A 34 52.573 -5.387 10.184 1.00 0.00 N ATOM 539 CE2 TRP A 34 52.447 -4.426 11.167 1.00 0.00 C ATOM 540 CE3 TRP A 34 52.068 -2.036 11.198 1.00 0.00 C ATOM 541 CZ2 TRP A 34 52.490 -4.456 12.564 1.00 0.00 C ATOM 542 CZ3 TRP A 34 52.111 -2.062 12.600 1.00 0.00 C ATOM 543 CH2 TRP A 34 52.320 -3.268 13.282 1.00 0.00 C ATOM 0 H TRP A 34 52.010 -0.676 6.282 1.00 0.00 H new ATOM 0 HA TRP A 34 53.595 -1.210 8.534 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.205 -1.932 8.075 1.00 0.00 H new ATOM 0 HB3 TRP A 34 51.834 -3.150 6.983 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.515 -5.397 7.991 1.00 0.00 H new ATOM 0 HE1 TRP A 34 52.735 -6.377 10.370 1.00 0.00 H new ATOM 0 HE3 TRP A 34 51.904 -1.100 10.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 52.653 -5.388 13.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 51.982 -1.146 13.158 1.00 0.00 H new ATOM 0 HH2 TRP A 34 52.350 -3.280 14.362 1.00 0.00 H new ATOM 554 N ALA A 35 54.539 -2.753 5.799 1.00 0.00 N ATOM 555 CA ALA A 35 55.675 -3.467 5.223 1.00 0.00 C ATOM 556 C ALA A 35 56.984 -2.738 5.515 1.00 0.00 C ATOM 557 O ALA A 35 58.006 -3.359 5.816 1.00 0.00 O ATOM 558 CB ALA A 35 55.491 -3.603 3.710 1.00 0.00 C ATOM 0 H ALA A 35 53.854 -2.420 5.121 1.00 0.00 H new ATOM 0 HA ALA A 35 55.721 -4.457 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 35 56.342 -4.137 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 35 54.576 -4.157 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 35 55.424 -2.612 3.261 1.00 0.00 H new ATOM 564 N ALA A 36 56.939 -1.408 5.466 1.00 0.00 N ATOM 565 CA ALA A 36 58.127 -0.619 5.775 1.00 0.00 C ATOM 566 C ALA A 36 58.597 -0.893 7.200 1.00 0.00 C ATOM 567 O ALA A 36 59.797 -0.969 7.462 1.00 0.00 O ATOM 568 CB ALA A 36 57.821 0.871 5.613 1.00 0.00 C ATOM 0 H ALA A 36 56.111 -0.865 5.221 1.00 0.00 H new ATOM 0 HA ALA A 36 58.919 -0.904 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 36 58.713 1.453 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.515 1.070 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.016 1.153 6.292 1.00 0.00 H new ATOM 574 N ALA A 37 57.644 -1.043 8.118 1.00 0.00 N ATOM 575 CA ALA A 37 57.972 -1.410 9.492 1.00 0.00 C ATOM 576 C ALA A 37 58.616 -2.792 9.573 1.00 0.00 C ATOM 577 O ALA A 37 59.512 -3.017 10.395 1.00 0.00 O ATOM 578 CB ALA A 37 56.706 -1.391 10.350 1.00 0.00 C ATOM 0 H ALA A 37 56.648 -0.917 7.937 1.00 0.00 H new ATOM 0 HA ALA A 37 58.690 -0.680 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 56.957 -1.666 11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 37 56.273 -0.391 10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 37 55.984 -2.103 9.950 1.00 0.00 H new ATOM 584 N TRP A 38 58.133 -3.712 8.735 1.00 0.00 N ATOM 585 CA TRP A 38 58.682 -5.067 8.685 1.00 0.00 C ATOM 586 C TRP A 38 60.174 -5.076 8.359 1.00 0.00 C ATOM 587 O TRP A 38 60.889 -5.993 8.765 1.00 0.00 O ATOM 588 CB TRP A 38 57.931 -5.904 7.648 1.00 0.00 C ATOM 589 CG TRP A 38 58.327 -7.347 7.651 1.00 0.00 C ATOM 590 CD1 TRP A 38 59.090 -7.943 6.707 1.00 0.00 C ATOM 591 CD2 TRP A 38 57.995 -8.381 8.623 1.00 0.00 C ATOM 592 NE1 TRP A 38 59.249 -9.276 7.035 1.00 0.00 N ATOM 593 CE2 TRP A 38 58.593 -9.596 8.207 1.00 0.00 C ATOM 594 CE3 TRP A 38 57.242 -8.386 9.809 1.00 0.00 C ATOM 595 CZ2 TRP A 38 58.450 -10.774 8.947 1.00 0.00 C ATOM 596 CZ3 TRP A 38 57.096 -9.565 10.554 1.00 0.00 C ATOM 597 CH2 TRP A 38 57.697 -10.756 10.125 1.00 0.00 C ATOM 0 H TRP A 38 57.366 -3.543 8.084 1.00 0.00 H new ATOM 0 HA TRP A 38 58.554 -5.499 9.677 1.00 0.00 H new ATOM 0 HB2 TRP A 38 56.860 -5.828 7.837 1.00 0.00 H new ATOM 0 HB3 TRP A 38 58.110 -5.488 6.657 1.00 0.00 H new ATOM 0 HD1 TRP A 38 59.507 -7.456 5.838 1.00 0.00 H new ATOM 0 HE1 TRP A 38 59.785 -9.942 6.479 1.00 0.00 H new ATOM 0 HE3 TRP A 38 56.772 -7.475 10.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 58.917 -11.689 8.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 56.516 -9.555 11.465 1.00 0.00 H new ATOM 0 HH2 TRP A 38 57.579 -11.660 10.704 1.00 0.00 H new