USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=5 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= -0.0117 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.382 (180deg=0.0229) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 44.331 17.675 -8.117 1.00 0.00 N ATOM 37 CA LEU A 3 43.039 18.168 -8.592 1.00 0.00 C ATOM 38 C LEU A 3 41.914 17.148 -8.384 1.00 0.00 C ATOM 39 O LEU A 3 40.749 17.527 -8.260 1.00 0.00 O ATOM 40 CB LEU A 3 43.146 18.518 -10.079 1.00 0.00 C ATOM 41 CG LEU A 3 41.854 19.189 -10.558 1.00 0.00 C ATOM 42 CD1 LEU A 3 41.713 20.564 -9.903 1.00 0.00 C ATOM 43 CD2 LEU A 3 41.906 19.357 -12.078 1.00 0.00 C ATOM 0 HA LEU A 3 42.788 19.053 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 3 43.993 19.184 -10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 3 43.333 17.615 -10.660 1.00 0.00 H new ATOM 0 HG LEU A 3 41.001 18.568 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 3 40.793 21.038 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 3 41.680 20.449 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 3 42.565 21.186 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 3 40.989 19.834 -12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 3 42.761 19.978 -12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 3 42.006 18.379 -12.549 1.00 0.00 H new ATOM 55 N LEU A 4 42.250 15.859 -8.356 1.00 0.00 N ATOM 56 CA LEU A 4 41.237 14.818 -8.175 1.00 0.00 C ATOM 57 C LEU A 4 40.451 15.008 -6.870 1.00 0.00 C ATOM 58 O LEU A 4 39.290 14.613 -6.774 1.00 0.00 O ATOM 59 CB LEU A 4 41.920 13.437 -8.185 1.00 0.00 C ATOM 60 CG LEU A 4 41.078 12.378 -8.918 1.00 0.00 C ATOM 61 CD1 LEU A 4 39.667 12.285 -8.328 1.00 0.00 C ATOM 62 CD2 LEU A 4 40.989 12.721 -10.408 1.00 0.00 C ATOM 0 H LEU A 4 43.204 15.512 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 4 40.525 14.888 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 4 42.895 13.519 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 4 42.096 13.113 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 4 41.568 11.412 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 4 39.096 11.529 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 39.730 12.010 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.169 13.250 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.391 11.967 -10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 4 40.521 13.698 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 4 41.991 12.743 -10.837 1.00 0.00 H new ATOM 74 N GLU A 5 41.079 15.628 -5.872 1.00 0.00 N ATOM 75 CA GLU A 5 40.420 15.880 -4.590 1.00 0.00 C ATOM 76 C GLU A 5 39.627 17.196 -4.583 1.00 0.00 C ATOM 77 O GLU A 5 38.739 17.380 -3.751 1.00 0.00 O ATOM 78 CB GLU A 5 41.481 15.909 -3.485 1.00 0.00 C ATOM 79 CG GLU A 5 40.813 15.932 -2.103 1.00 0.00 C ATOM 80 CD GLU A 5 41.842 16.030 -0.972 1.00 0.00 C ATOM 81 OE1 GLU A 5 43.032 16.109 -1.247 1.00 0.00 O ATOM 82 OE2 GLU A 5 41.419 16.024 0.172 1.00 0.00 O ATOM 0 H GLU A 5 42.040 15.964 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 5 39.704 15.076 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.127 15.035 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 5 42.115 16.787 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 5 40.128 16.778 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.216 15.029 -1.973 1.00 0.00 H new ATOM 89 N GLY A 6 39.912 18.095 -5.526 1.00 0.00 N ATOM 90 CA GLY A 6 39.219 19.380 -5.586 1.00 0.00 C ATOM 91 C GLY A 6 38.008 19.385 -6.527 1.00 0.00 C ATOM 92 O GLY A 6 37.397 20.437 -6.725 1.00 0.00 O ATOM 0 H GLY A 6 40.613 17.958 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 6 38.890 19.652 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 6 39.922 20.147 -5.910 1.00 0.00 H new ATOM 96 N GLU A 7 37.648 18.235 -7.105 1.00 0.00 N ATOM 97 CA GLU A 7 36.515 18.178 -8.023 1.00 0.00 C ATOM 98 C GLU A 7 35.225 17.949 -7.240 1.00 0.00 C ATOM 99 O GLU A 7 35.234 17.294 -6.198 1.00 0.00 O ATOM 100 CB GLU A 7 36.723 17.043 -9.030 1.00 0.00 C ATOM 101 CG GLU A 7 35.642 17.107 -10.117 1.00 0.00 C ATOM 102 CD GLU A 7 35.759 15.945 -11.110 1.00 0.00 C ATOM 103 OE1 GLU A 7 36.631 15.103 -10.948 1.00 0.00 O ATOM 104 OE2 GLU A 7 34.961 15.915 -12.032 1.00 0.00 O ATOM 0 H GLU A 7 38.120 17.344 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 7 36.441 19.123 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 7 37.711 17.123 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 7 36.682 16.080 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 7 34.657 17.088 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 7 35.722 18.052 -10.654 1.00 0.00 H new ATOM 111 N ILE A 8 34.120 18.490 -7.747 1.00 0.00 N ATOM 112 CA ILE A 8 32.849 18.393 -7.028 1.00 0.00 C ATOM 113 C ILE A 8 32.208 17.009 -7.239 1.00 0.00 C ATOM 114 O ILE A 8 32.305 16.461 -8.339 1.00 0.00 O ATOM 115 CB ILE A 8 31.861 19.530 -7.401 1.00 0.00 C ATOM 116 CG1 ILE A 8 31.146 19.307 -8.751 1.00 0.00 C ATOM 117 CG2 ILE A 8 32.575 20.886 -7.428 1.00 0.00 C ATOM 118 CD1 ILE A 8 32.136 19.252 -9.917 1.00 0.00 C ATOM 0 H ILE A 8 34.076 18.991 -8.635 1.00 0.00 H new ATOM 0 HA ILE A 8 33.074 18.515 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 8 31.098 19.521 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 8 30.578 18.377 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 8 30.430 20.111 -8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 8 31.862 21.667 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 8 32.995 21.095 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 8 33.376 20.861 -8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 8 31.593 19.094 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 8 32.685 20.192 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 8 32.836 18.431 -9.761 1.00 0.00 H new ATOM 130 N PRO A 9 31.568 16.429 -6.242 1.00 0.00 N ATOM 131 CA PRO A 9 30.885 15.109 -6.412 1.00 0.00 C ATOM 132 C PRO A 9 29.698 15.204 -7.366 1.00 0.00 C ATOM 133 O PRO A 9 29.049 16.247 -7.455 1.00 0.00 O ATOM 134 CB PRO A 9 30.426 14.725 -5.003 1.00 0.00 C ATOM 135 CG PRO A 9 30.317 16.011 -4.263 1.00 0.00 C ATOM 136 CD PRO A 9 31.359 16.946 -4.873 1.00 0.00 C ATOM 0 HA PRO A 9 31.551 14.365 -6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 9 29.469 14.204 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.141 14.055 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 9 29.315 16.430 -4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.502 15.864 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 9 31.006 17.977 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 9 32.286 16.935 -4.299 1.00 0.00 H new ATOM 144 N PHE A 10 29.411 14.116 -8.079 1.00 0.00 N ATOM 145 CA PHE A 10 28.261 14.081 -8.984 1.00 0.00 C ATOM 146 C PHE A 10 26.982 14.437 -8.221 1.00 0.00 C ATOM 147 O PHE A 10 26.867 14.099 -7.041 1.00 0.00 O ATOM 148 CB PHE A 10 28.123 12.692 -9.609 1.00 0.00 C ATOM 149 CG PHE A 10 28.997 12.490 -10.826 1.00 0.00 C ATOM 150 CD1 PHE A 10 28.513 12.820 -12.098 1.00 0.00 C ATOM 151 CD2 PHE A 10 30.290 11.975 -10.683 1.00 0.00 C ATOM 152 CE1 PHE A 10 29.321 12.633 -13.226 1.00 0.00 C ATOM 153 CE2 PHE A 10 31.098 11.788 -11.811 1.00 0.00 C ATOM 154 CZ PHE A 10 30.614 12.118 -13.082 1.00 0.00 C ATOM 0 H PHE A 10 29.954 13.253 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 10 28.418 14.812 -9.778 1.00 0.00 H new ATOM 0 HB2 PHE A 10 28.374 11.939 -8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 10 27.082 12.529 -9.888 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.516 13.219 -12.209 1.00 0.00 H new ATOM 0 HD2 PHE A 10 30.665 11.722 -9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.946 12.886 -14.207 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.095 11.389 -11.700 1.00 0.00 H new ATOM 0 HZ PHE A 10 31.238 11.975 -13.952 1.00 0.00 H new ATOM 164 N PRO A 11 26.026 15.090 -8.843 1.00 0.00 N ATOM 165 CA PRO A 11 24.907 15.721 -8.077 1.00 0.00 C ATOM 166 C PRO A 11 24.146 14.777 -7.135 1.00 0.00 C ATOM 167 O PRO A 11 23.703 15.238 -6.080 1.00 0.00 O ATOM 168 CB PRO A 11 23.960 16.254 -9.159 1.00 0.00 C ATOM 169 CG PRO A 11 24.774 16.358 -10.402 1.00 0.00 C ATOM 170 CD PRO A 11 25.869 15.299 -10.296 1.00 0.00 C ATOM 0 HA PRO A 11 25.310 16.482 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 11 23.114 15.582 -9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 11 23.552 17.225 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 11 24.157 16.190 -11.285 1.00 0.00 H new ATOM 0 HG3 PRO A 11 25.206 17.354 -10.500 1.00 0.00 H new ATOM 0 HD2 PRO A 11 25.583 14.377 -10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 11 26.798 15.639 -10.753 1.00 0.00 H new ATOM 178 N PRO A 12 23.959 13.510 -7.453 1.00 0.00 N ATOM 179 CA PRO A 12 23.448 12.536 -6.438 1.00 0.00 C ATOM 180 C PRO A 12 24.401 12.421 -5.250 1.00 0.00 C ATOM 181 O PRO A 12 25.619 12.380 -5.427 1.00 0.00 O ATOM 182 CB PRO A 12 23.322 11.208 -7.189 1.00 0.00 C ATOM 183 CG PRO A 12 23.342 11.554 -8.641 1.00 0.00 C ATOM 184 CD PRO A 12 24.099 12.874 -8.775 1.00 0.00 C ATOM 0 HA PRO A 12 22.494 12.851 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.143 10.537 -6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.398 10.695 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 12 23.831 10.769 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.328 11.650 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 12 25.146 12.708 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.676 13.497 -9.563 1.00 0.00 H new ATOM 192 N THR A 13 23.848 12.369 -4.045 1.00 0.00 N ATOM 193 CA THR A 13 24.661 12.167 -2.847 1.00 0.00 C ATOM 194 C THR A 13 25.431 10.842 -2.878 1.00 0.00 C ATOM 195 O THR A 13 26.488 10.711 -2.252 1.00 0.00 O ATOM 196 CB THR A 13 23.766 12.206 -1.607 1.00 0.00 C ATOM 197 OG1 THR A 13 22.981 13.389 -1.631 1.00 0.00 O ATOM 198 CG2 THR A 13 24.633 12.193 -0.346 1.00 0.00 C ATOM 0 H THR A 13 22.848 12.463 -3.869 1.00 0.00 H new ATOM 0 HA THR A 13 25.395 12.972 -2.814 1.00 0.00 H new ATOM 0 HB THR A 13 23.112 11.334 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.405 13.416 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 13 23.993 12.221 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 13 25.236 11.285 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 13 25.289 13.064 -0.346 1.00 0.00 H new ATOM 206 N SER A 14 24.891 9.846 -3.580 1.00 0.00 N ATOM 207 CA SER A 14 25.434 8.497 -3.483 1.00 0.00 C ATOM 208 C SER A 14 26.900 8.453 -3.899 1.00 0.00 C ATOM 209 O SER A 14 27.690 7.719 -3.301 1.00 0.00 O ATOM 210 CB SER A 14 24.627 7.549 -4.370 1.00 0.00 C ATOM 211 OG SER A 14 24.843 7.887 -5.734 1.00 0.00 O ATOM 0 H SER A 14 24.094 9.946 -4.209 1.00 0.00 H new ATOM 0 HA SER A 14 25.365 8.184 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.927 6.517 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.566 7.621 -4.129 1.00 0.00 H new ATOM 0 HG SER A 14 24.329 7.280 -6.307 1.00 0.00 H new ATOM 217 N ILE A 15 27.271 9.256 -4.899 1.00 0.00 N ATOM 218 CA ILE A 15 28.668 9.269 -5.334 1.00 0.00 C ATOM 219 C ILE A 15 29.582 9.692 -4.179 1.00 0.00 C ATOM 220 O ILE A 15 30.696 9.177 -4.051 1.00 0.00 O ATOM 221 CB ILE A 15 28.840 10.183 -6.567 1.00 0.00 C ATOM 222 CG1 ILE A 15 28.031 9.612 -7.749 1.00 0.00 C ATOM 223 CG2 ILE A 15 30.321 10.276 -6.975 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.613 10.185 -7.749 1.00 0.00 C ATOM 0 H ILE A 15 26.649 9.885 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 15 28.958 8.261 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 15 28.480 11.179 -6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 15 28.528 9.853 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.991 8.525 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 30.419 10.925 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 15 30.901 10.688 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 30.694 9.282 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 15 26.054 9.773 -8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.114 9.921 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.659 11.270 -7.841 1.00 0.00 H new ATOM 236 N LEU A 16 29.108 10.598 -3.319 1.00 0.00 N ATOM 237 CA LEU A 16 29.897 10.983 -2.153 1.00 0.00 C ATOM 238 C LEU A 16 30.157 9.778 -1.251 1.00 0.00 C ATOM 239 O LEU A 16 31.253 9.619 -0.707 1.00 0.00 O ATOM 240 CB LEU A 16 29.149 12.061 -1.363 1.00 0.00 C ATOM 241 CG LEU A 16 30.051 12.620 -0.260 1.00 0.00 C ATOM 242 CD1 LEU A 16 30.983 13.683 -0.848 1.00 0.00 C ATOM 243 CD2 LEU A 16 29.184 13.249 0.834 1.00 0.00 C ATOM 0 H LEU A 16 28.206 11.066 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 16 30.856 11.372 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 16 28.838 12.864 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.243 11.641 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 16 30.647 11.813 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 16 31.624 14.080 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 16 31.600 13.235 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 16 30.389 14.492 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 29.824 13.648 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.588 14.056 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.522 12.492 1.254 1.00 0.00 H new ATOM 255 N LEU A 17 29.158 8.900 -1.131 1.00 0.00 N ATOM 256 CA LEU A 17 29.340 7.689 -0.335 1.00 0.00 C ATOM 257 C LEU A 17 30.465 6.828 -0.901 1.00 0.00 C ATOM 258 O LEU A 17 31.271 6.267 -0.154 1.00 0.00 O ATOM 259 CB LEU A 17 28.034 6.890 -0.312 1.00 0.00 C ATOM 260 CG LEU A 17 28.116 5.768 0.736 1.00 0.00 C ATOM 261 CD1 LEU A 17 26.715 5.462 1.275 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.701 4.502 0.098 1.00 0.00 C ATOM 0 H LEU A 17 28.239 9.001 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 17 29.611 7.979 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.199 7.551 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.842 6.464 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 17 28.759 6.092 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.777 4.666 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.299 6.358 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.071 5.144 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.757 3.710 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.062 4.180 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.701 4.714 -0.281 1.00 0.00 H new ATOM 274 N LEU A 18 30.554 6.774 -2.230 1.00 0.00 N ATOM 275 CA LEU A 18 31.643 6.038 -2.864 1.00 0.00 C ATOM 276 C LEU A 18 33.001 6.621 -2.488 1.00 0.00 C ATOM 277 O LEU A 18 33.970 5.880 -2.321 1.00 0.00 O ATOM 278 CB LEU A 18 31.478 6.043 -4.387 1.00 0.00 C ATOM 279 CG LEU A 18 30.489 4.950 -4.805 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.067 5.353 -4.413 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.560 4.756 -6.321 1.00 0.00 C ATOM 0 H LEU A 18 29.901 7.220 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 18 31.601 5.011 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.120 7.017 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.442 5.877 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 18 30.749 4.020 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.371 4.570 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.013 5.491 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.802 6.285 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.857 3.979 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.303 5.690 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.571 4.460 -6.603 1.00 0.00 H new ATOM 293 N LEU A 19 33.066 7.943 -2.331 1.00 0.00 N ATOM 294 CA LEU A 19 34.312 8.573 -1.901 1.00 0.00 C ATOM 295 C LEU A 19 34.750 8.062 -0.532 1.00 0.00 C ATOM 296 O LEU A 19 35.943 7.885 -0.279 1.00 0.00 O ATOM 297 CB LEU A 19 34.146 10.095 -1.848 1.00 0.00 C ATOM 298 CG LEU A 19 33.696 10.626 -3.213 1.00 0.00 C ATOM 299 CD1 LEU A 19 33.463 12.137 -3.119 1.00 0.00 C ATOM 300 CD2 LEU A 19 34.775 10.348 -4.264 1.00 0.00 C ATOM 0 H LEU A 19 32.290 8.585 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 19 35.081 8.314 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.413 10.362 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.089 10.561 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 19 32.772 10.126 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.143 12.517 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.691 12.341 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.389 12.630 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.447 10.729 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.702 10.844 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.945 9.274 -4.335 1.00 0.00 H new ATOM 312 N ALA A 20 33.779 7.769 0.333 1.00 0.00 N ATOM 313 CA ALA A 20 34.098 7.203 1.638 1.00 0.00 C ATOM 314 C ALA A 20 34.769 5.844 1.483 1.00 0.00 C ATOM 315 O ALA A 20 35.766 5.544 2.147 1.00 0.00 O ATOM 316 CB ALA A 20 32.821 7.053 2.467 1.00 0.00 C ATOM 0 H ALA A 20 32.785 7.912 0.157 1.00 0.00 H new ATOM 0 HA ALA A 20 34.785 7.878 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.067 6.630 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.358 8.031 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.126 6.392 1.949 1.00 0.00 H new ATOM 322 N CYS A 21 34.243 5.039 0.563 1.00 0.00 N ATOM 323 CA CYS A 21 34.821 3.722 0.322 1.00 0.00 C ATOM 324 C CYS A 21 36.264 3.846 -0.153 1.00 0.00 C ATOM 325 O CYS A 21 37.137 3.088 0.276 1.00 0.00 O ATOM 326 CB CYS A 21 33.998 2.977 -0.731 1.00 0.00 C ATOM 327 SG CYS A 21 32.326 2.692 -0.099 1.00 0.00 S ATOM 0 H CYS A 21 33.435 5.269 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 21 34.807 3.164 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 21 33.956 3.557 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.473 2.027 -0.974 1.00 0.00 H new ATOM 0 HG CYS A 21 31.625 2.061 -0.994 1.00 0.00 H new ATOM 333 N ILE A 22 36.517 4.819 -1.026 1.00 0.00 N ATOM 334 CA ILE A 22 37.875 5.034 -1.510 1.00 0.00 C ATOM 335 C ILE A 22 38.819 5.364 -0.352 1.00 0.00 C ATOM 336 O ILE A 22 39.984 4.967 -0.372 1.00 0.00 O ATOM 337 CB ILE A 22 37.893 6.157 -2.558 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.962 5.777 -3.716 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.313 6.344 -3.106 1.00 0.00 C ATOM 340 CD1 ILE A 22 36.758 6.970 -4.658 1.00 0.00 C ATOM 0 H ILE A 22 35.816 5.457 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 22 38.224 4.114 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 22 37.560 7.085 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.384 4.938 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.000 5.448 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.314 7.142 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 22 39.986 6.606 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.649 5.417 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.095 6.681 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.314 7.798 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 22 37.720 7.280 -5.066 1.00 0.00 H new ATOM 352 N PHE A 23 38.316 6.070 0.665 1.00 0.00 N ATOM 353 CA PHE A 23 39.144 6.351 1.834 1.00 0.00 C ATOM 354 C PHE A 23 39.596 5.055 2.501 1.00 0.00 C ATOM 355 O PHE A 23 40.741 4.940 2.948 1.00 0.00 O ATOM 356 CB PHE A 23 38.361 7.197 2.839 1.00 0.00 C ATOM 357 CG PHE A 23 39.191 7.647 4.019 1.00 0.00 C ATOM 358 CD1 PHE A 23 39.263 6.851 5.168 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.890 8.859 3.962 1.00 0.00 C ATOM 360 CE1 PHE A 23 40.034 7.267 6.261 1.00 0.00 C ATOM 361 CE2 PHE A 23 40.660 9.274 5.054 1.00 0.00 C ATOM 362 CZ PHE A 23 40.733 8.478 6.204 1.00 0.00 C ATOM 0 H PHE A 23 37.369 6.446 0.702 1.00 0.00 H new ATOM 0 HA PHE A 23 40.025 6.901 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.960 8.074 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.509 6.622 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 23 38.724 5.916 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.835 9.473 3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 23 40.089 6.653 7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 23 41.199 10.209 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 23 41.328 8.799 7.046 1.00 0.00 H new ATOM 372 N LEU A 24 38.707 4.058 2.525 1.00 0.00 N ATOM 373 CA LEU A 24 39.095 2.750 3.045 1.00 0.00 C ATOM 374 C LEU A 24 40.230 2.148 2.221 1.00 0.00 C ATOM 375 O LEU A 24 41.142 1.520 2.765 1.00 0.00 O ATOM 376 CB LEU A 24 37.895 1.800 3.035 1.00 0.00 C ATOM 377 CG LEU A 24 36.743 2.399 3.848 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.523 1.483 3.750 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.156 2.528 5.317 1.00 0.00 C ATOM 0 H LEU A 24 37.743 4.129 2.200 1.00 0.00 H new ATOM 0 HA LEU A 24 39.442 2.885 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.572 1.620 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.182 0.835 3.453 1.00 0.00 H new ATOM 0 HG LEU A 24 36.500 3.385 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.702 1.907 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.222 1.389 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.774 0.499 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 24 36.333 2.955 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 24 37.402 1.543 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 24 38.027 3.178 5.394 1.00 0.00 H new ATOM 391 N ILE A 25 40.196 2.375 0.905 1.00 0.00 N ATOM 392 CA ILE A 25 41.286 1.905 0.054 1.00 0.00 C ATOM 393 C ILE A 25 42.609 2.553 0.462 1.00 0.00 C ATOM 394 O ILE A 25 43.660 1.913 0.412 1.00 0.00 O ATOM 395 CB ILE A 25 40.986 2.199 -1.422 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.644 1.569 -1.811 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.086 1.599 -2.304 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.262 2.004 -3.226 1.00 0.00 C ATOM 0 H ILE A 25 39.447 2.867 0.419 1.00 0.00 H new ATOM 0 HA ILE A 25 41.374 0.826 0.183 1.00 0.00 H new ATOM 0 HB ILE A 25 40.945 3.279 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.713 0.482 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.871 1.873 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 25 41.869 1.810 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.047 2.039 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.126 0.520 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.307 1.554 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.175 3.090 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.031 1.678 -3.927 1.00 0.00 H new ATOM 410 N LYS A 26 42.555 3.818 0.889 1.00 0.00 N ATOM 411 CA LYS A 26 43.766 4.482 1.360 1.00 0.00 C ATOM 412 C LYS A 26 44.366 3.740 2.552 1.00 0.00 C ATOM 413 O LYS A 26 45.588 3.648 2.682 1.00 0.00 O ATOM 414 CB LYS A 26 43.449 5.925 1.759 1.00 0.00 C ATOM 415 CG LYS A 26 44.747 6.661 2.102 1.00 0.00 C ATOM 416 CD LYS A 26 44.438 8.129 2.401 1.00 0.00 C ATOM 417 CE LYS A 26 43.638 8.231 3.701 1.00 0.00 C ATOM 418 NZ LYS A 26 43.837 9.579 4.304 1.00 0.00 N ATOM 0 H LYS A 26 41.709 4.387 0.917 1.00 0.00 H new ATOM 0 HA LYS A 26 44.494 4.480 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.935 6.434 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.776 5.936 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 26 45.224 6.196 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.449 6.588 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 26 45.365 8.696 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.872 8.567 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.579 8.062 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.959 7.458 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.986 9.850 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.655 9.555 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 44.009 10.275 3.550 1.00 0.00 H new ATOM 432 N ILE A 27 43.505 3.177 3.404 1.00 0.00 N ATOM 433 CA ILE A 27 43.997 2.350 4.503 1.00 0.00 C ATOM 434 C ILE A 27 44.761 1.138 3.966 1.00 0.00 C ATOM 435 O ILE A 27 45.779 0.733 4.534 1.00 0.00 O ATOM 436 CB ILE A 27 42.830 1.889 5.387 1.00 0.00 C ATOM 437 CG1 ILE A 27 42.065 3.112 5.903 1.00 0.00 C ATOM 438 CG2 ILE A 27 43.363 1.099 6.588 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.803 2.657 6.640 1.00 0.00 C ATOM 0 H ILE A 27 42.491 3.276 3.356 1.00 0.00 H new ATOM 0 HA ILE A 27 44.679 2.951 5.105 1.00 0.00 H new ATOM 0 HB ILE A 27 42.169 1.255 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.699 3.694 6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.797 3.763 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.528 0.776 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.912 0.226 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 27 44.028 1.733 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.261 3.529 7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 27 40.166 2.094 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 27 41.082 2.024 7.482 1.00 0.00 H new ATOM 451 N LEU A 28 44.293 0.583 2.846 1.00 0.00 N ATOM 452 CA LEU A 28 45.009 -0.525 2.217 1.00 0.00 C ATOM 453 C LEU A 28 46.424 -0.111 1.812 1.00 0.00 C ATOM 454 O LEU A 28 47.353 -0.916 1.866 1.00 0.00 O ATOM 455 CB LEU A 28 44.247 -1.025 0.988 1.00 0.00 C ATOM 456 CG LEU A 28 44.877 -2.326 0.490 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.563 -3.455 1.474 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.301 -2.676 -0.884 1.00 0.00 C ATOM 0 H LEU A 28 43.442 0.875 2.366 1.00 0.00 H new ATOM 0 HA LEU A 28 45.081 -1.330 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.199 -1.189 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.272 -0.272 0.200 1.00 0.00 H new ATOM 0 HG LEU A 28 45.957 -2.200 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.012 -4.383 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.970 -3.207 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.483 -3.581 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.749 -3.603 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.221 -2.802 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.522 -1.872 -1.587 1.00 0.00 H new ATOM 470 N ALA A 29 46.579 1.149 1.407 1.00 0.00 N ATOM 471 CA ALA A 29 47.904 1.691 1.126 1.00 0.00 C ATOM 472 C ALA A 29 48.771 1.717 2.381 1.00 0.00 C ATOM 473 O ALA A 29 49.973 1.440 2.331 1.00 0.00 O ATOM 474 CB ALA A 29 47.775 3.110 0.567 1.00 0.00 C ATOM 0 H ALA A 29 45.811 1.806 1.268 1.00 0.00 H new ATOM 0 HA ALA A 29 48.383 1.044 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.767 3.511 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.192 3.087 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.274 3.745 1.298 1.00 0.00 H new ATOM 480 N ALA A 30 48.152 2.032 3.516 1.00 0.00 N ATOM 481 CA ALA A 30 48.880 2.050 4.780 1.00 0.00 C ATOM 482 C ALA A 30 49.473 0.678 5.088 1.00 0.00 C ATOM 483 O ALA A 30 50.576 0.578 5.624 1.00 0.00 O ATOM 484 CB ALA A 30 47.944 2.469 5.915 1.00 0.00 C ATOM 0 H ALA A 30 47.164 2.275 3.586 1.00 0.00 H new ATOM 0 HA ALA A 30 49.695 2.769 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.495 2.480 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.551 3.465 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.119 1.761 5.986 1.00 0.00 H new ATOM 490 N SER A 31 48.752 -0.380 4.721 1.00 0.00 N ATOM 491 CA SER A 31 49.267 -1.731 4.913 1.00 0.00 C ATOM 492 C SER A 31 50.576 -1.931 4.151 1.00 0.00 C ATOM 493 O SER A 31 51.494 -2.595 4.640 1.00 0.00 O ATOM 494 CB SER A 31 48.237 -2.754 4.433 1.00 0.00 C ATOM 495 OG SER A 31 47.009 -2.533 5.113 1.00 0.00 O ATOM 0 H SER A 31 47.826 -0.329 4.297 1.00 0.00 H new ATOM 0 HA SER A 31 49.458 -1.873 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 48.092 -2.664 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.595 -3.766 4.623 1.00 0.00 H new ATOM 0 HG SER A 31 46.344 -3.185 4.808 1.00 0.00 H new ATOM 501 N ALA A 32 50.684 -1.317 2.971 1.00 0.00 N ATOM 502 CA ALA A 32 51.918 -1.420 2.201 1.00 0.00 C ATOM 503 C ALA A 32 53.074 -0.804 2.981 1.00 0.00 C ATOM 504 O ALA A 32 54.164 -1.378 3.073 1.00 0.00 O ATOM 505 CB ALA A 32 51.760 -0.700 0.861 1.00 0.00 C ATOM 0 H ALA A 32 49.949 -0.757 2.538 1.00 0.00 H new ATOM 0 HA ALA A 32 52.131 -2.473 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.686 -0.782 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.946 -1.156 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.534 0.352 1.037 1.00 0.00 H new ATOM 511 N LEU A 33 52.817 0.359 3.578 1.00 0.00 N ATOM 512 CA LEU A 33 53.829 0.996 4.412 1.00 0.00 C ATOM 513 C LEU A 33 54.226 0.092 5.577 1.00 0.00 C ATOM 514 O LEU A 33 55.395 0.049 5.962 1.00 0.00 O ATOM 515 CB LEU A 33 53.289 2.330 4.938 1.00 0.00 C ATOM 516 CG LEU A 33 54.421 3.151 5.579 1.00 0.00 C ATOM 517 CD1 LEU A 33 54.142 4.647 5.400 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.516 2.835 7.077 1.00 0.00 C ATOM 0 H LEU A 33 51.937 0.868 3.502 1.00 0.00 H new ATOM 0 HA LEU A 33 54.719 1.175 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.839 2.895 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.503 2.148 5.671 1.00 0.00 H new ATOM 0 HG LEU A 33 55.361 2.891 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 33 54.947 5.224 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 33 54.084 4.882 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 53.197 4.901 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.320 3.421 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 53.573 3.086 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.723 1.773 7.213 1.00 0.00 H new ATOM 530 N TRP A 34 53.266 -0.670 6.107 1.00 0.00 N ATOM 531 CA TRP A 34 53.576 -1.609 7.184 1.00 0.00 C ATOM 532 C TRP A 34 54.620 -2.635 6.750 1.00 0.00 C ATOM 533 O TRP A 34 55.441 -3.070 7.557 1.00 0.00 O ATOM 534 CB TRP A 34 52.308 -2.334 7.639 1.00 0.00 C ATOM 535 CG TRP A 34 52.499 -3.132 8.889 1.00 0.00 C ATOM 536 CD1 TRP A 34 52.622 -4.478 8.939 1.00 0.00 C ATOM 537 CD2 TRP A 34 52.589 -2.661 10.266 1.00 0.00 C ATOM 538 NE1 TRP A 34 52.784 -4.864 10.256 1.00 0.00 N ATOM 539 CE2 TRP A 34 52.771 -3.782 11.112 1.00 0.00 C ATOM 540 CE3 TRP A 34 52.533 -1.387 10.855 1.00 0.00 C ATOM 541 CZ2 TRP A 34 52.891 -3.640 12.497 1.00 0.00 C ATOM 542 CZ3 TRP A 34 52.654 -1.241 12.245 1.00 0.00 C ATOM 543 CH2 TRP A 34 52.833 -2.363 13.065 1.00 0.00 C ATOM 0 H TRP A 34 52.289 -0.656 5.815 1.00 0.00 H new ATOM 0 HA TRP A 34 53.985 -1.032 8.013 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.517 -1.601 7.801 1.00 0.00 H new ATOM 0 HB3 TRP A 34 51.970 -2.996 6.842 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.598 -5.143 8.088 1.00 0.00 H new ATOM 0 HE1 TRP A 34 52.899 -5.831 10.558 1.00 0.00 H new ATOM 0 HE3 TRP A 34 52.396 -0.514 10.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 53.027 -4.509 13.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 52.609 -0.256 12.686 1.00 0.00 H new ATOM 0 HH2 TRP A 34 52.926 -2.242 14.134 1.00 0.00 H new ATOM 554 N ALA A 35 54.613 -2.994 5.465 1.00 0.00 N ATOM 555 CA ALA A 35 55.642 -3.890 4.941 1.00 0.00 C ATOM 556 C ALA A 35 57.020 -3.249 5.061 1.00 0.00 C ATOM 557 O ALA A 35 57.990 -3.883 5.491 1.00 0.00 O ATOM 558 CB ALA A 35 55.354 -4.212 3.473 1.00 0.00 C ATOM 0 H ALA A 35 53.922 -2.685 4.782 1.00 0.00 H new ATOM 0 HA ALA A 35 55.629 -4.810 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 35 56.125 -4.880 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 35 54.381 -4.696 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 55.351 -3.290 2.892 1.00 0.00 H new ATOM 564 N ALA A 36 57.084 -1.959 4.743 1.00 0.00 N ATOM 565 CA ALA A 36 58.338 -1.228 4.889 1.00 0.00 C ATOM 566 C ALA A 36 58.806 -1.249 6.343 1.00 0.00 C ATOM 567 O ALA A 36 60.003 -1.333 6.617 1.00 0.00 O ATOM 568 CB ALA A 36 58.159 0.220 4.429 1.00 0.00 C ATOM 0 H ALA A 36 56.301 -1.409 4.390 1.00 0.00 H new ATOM 0 HA ALA A 36 59.092 -1.714 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.101 0.757 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.857 0.234 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.392 0.702 5.035 1.00 0.00 H new ATOM 574 N ALA A 37 57.855 -1.164 7.272 1.00 0.00 N ATOM 575 CA ALA A 37 58.172 -1.271 8.692 1.00 0.00 C ATOM 576 C ALA A 37 58.745 -2.638 9.056 1.00 0.00 C ATOM 577 O ALA A 37 59.587 -2.738 9.956 1.00 0.00 O ATOM 578 CB ALA A 37 56.919 -1.003 9.527 1.00 0.00 C ATOM 0 H ALA A 37 56.866 -1.022 7.067 1.00 0.00 H new ATOM 0 HA ALA A 37 58.935 -0.524 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 37 57.163 -1.085 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 37 56.549 0.000 9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 37 56.150 -1.734 9.275 1.00 0.00 H new ATOM 584 N TRP A 38 58.257 -3.678 8.376 1.00 0.00 N ATOM 585 CA TRP A 38 58.763 -5.033 8.589 1.00 0.00 C ATOM 586 C TRP A 38 60.267 -5.125 8.338 1.00 0.00 C ATOM 587 O TRP A 38 60.940 -5.971 8.928 1.00 0.00 O ATOM 588 CB TRP A 38 58.033 -6.009 7.666 1.00 0.00 C ATOM 589 CG TRP A 38 58.244 -7.443 8.037 1.00 0.00 C ATOM 590 CD1 TRP A 38 59.030 -8.313 7.362 1.00 0.00 C ATOM 591 CD2 TRP A 38 57.679 -8.185 9.155 1.00 0.00 C ATOM 592 NE1 TRP A 38 58.983 -9.541 7.995 1.00 0.00 N ATOM 593 CE2 TRP A 38 58.164 -9.515 9.105 1.00 0.00 C ATOM 594 CE3 TRP A 38 56.802 -7.838 10.198 1.00 0.00 C ATOM 595 CZ2 TRP A 38 57.789 -10.466 10.057 1.00 0.00 C ATOM 596 CZ3 TRP A 38 56.424 -8.791 11.156 1.00 0.00 C ATOM 597 CH2 TRP A 38 56.915 -10.101 11.087 1.00 0.00 C ATOM 0 H TRP A 38 57.517 -3.608 7.678 1.00 0.00 H new ATOM 0 HA TRP A 38 58.579 -5.293 9.631 1.00 0.00 H new ATOM 0 HB2 TRP A 38 56.966 -5.789 7.686 1.00 0.00 H new ATOM 0 HB3 TRP A 38 58.371 -5.852 6.642 1.00 0.00 H new ATOM 0 HD1 TRP A 38 59.601 -8.085 6.474 1.00 0.00 H new ATOM 0 HE1 TRP A 38 59.492 -10.367 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 38 56.417 -6.831 10.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 58.171 -11.475 9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 55.750 -8.512 11.952 1.00 0.00 H new ATOM 0 HH2 TRP A 38 56.619 -10.829 11.828 1.00 0.00 H new