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 USER MOD Single : A 21 CYS SG : rot 62:sc= 0.0389 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.134) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 36.427 26.342 -12.494 1.00 0.00 N ATOM 37 CA LEU A 3 35.066 25.918 -12.815 1.00 0.00 C ATOM 38 C LEU A 3 34.782 24.484 -12.352 1.00 0.00 C ATOM 39 O LEU A 3 33.631 24.133 -12.096 1.00 0.00 O ATOM 40 CB LEU A 3 34.843 26.025 -14.325 1.00 0.00 C ATOM 41 CG LEU A 3 33.372 25.770 -14.661 1.00 0.00 C ATOM 42 CD1 LEU A 3 32.516 26.923 -14.134 1.00 0.00 C ATOM 43 CD2 LEU A 3 33.210 25.676 -16.180 1.00 0.00 C ATOM 0 HA LEU A 3 34.379 26.576 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.137 27.015 -14.674 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.473 25.303 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 3 33.051 24.838 -14.196 1.00 0.00 H new ATOM 0 HD11 LEU A 3 31.469 26.739 -14.375 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.632 26.998 -13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 3 32.836 27.856 -14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 3 32.163 25.494 -16.424 1.00 0.00 H new ATOM 0 HD22 LEU A 3 33.532 26.611 -16.639 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.819 24.856 -16.561 1.00 0.00 H new ATOM 55 N LEU A 4 35.819 23.653 -12.260 1.00 0.00 N ATOM 56 CA LEU A 4 35.640 22.263 -11.839 1.00 0.00 C ATOM 57 C LEU A 4 34.991 22.153 -10.456 1.00 0.00 C ATOM 58 O LEU A 4 34.335 21.156 -10.151 1.00 0.00 O ATOM 59 CB LEU A 4 36.988 21.541 -11.825 1.00 0.00 C ATOM 60 CG LEU A 4 37.435 21.262 -13.262 1.00 0.00 C ATOM 61 CD1 LEU A 4 38.108 22.507 -13.844 1.00 0.00 C ATOM 62 CD2 LEU A 4 38.428 20.098 -13.269 1.00 0.00 C ATOM 0 H LEU A 4 36.783 23.913 -12.469 1.00 0.00 H new ATOM 0 HA LEU A 4 34.970 21.794 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 4 37.733 22.150 -11.313 1.00 0.00 H new ATOM 0 HB3 LEU A 4 36.906 20.606 -11.271 1.00 0.00 H new ATOM 0 HG LEU A 4 36.565 21.005 -13.867 1.00 0.00 H new ATOM 0 HD11 LEU A 4 38.425 22.305 -14.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 37.402 23.338 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 4 38.977 22.767 -13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 4 38.747 19.898 -14.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 39.296 20.356 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 4 37.949 19.209 -12.858 1.00 0.00 H new ATOM 74 N GLU A 5 35.171 23.174 -9.622 1.00 0.00 N ATOM 75 CA GLU A 5 34.606 23.166 -8.271 1.00 0.00 C ATOM 76 C GLU A 5 33.167 23.698 -8.222 1.00 0.00 C ATOM 77 O GLU A 5 32.465 23.482 -7.233 1.00 0.00 O ATOM 78 CB GLU A 5 35.481 24.012 -7.344 1.00 0.00 C ATOM 79 CG GLU A 5 36.882 23.395 -7.254 1.00 0.00 C ATOM 80 CD GLU A 5 37.775 24.154 -6.266 1.00 0.00 C ATOM 81 OE1 GLU A 5 37.396 25.228 -5.821 1.00 0.00 O ATOM 82 OE2 GLU A 5 38.842 23.642 -5.967 1.00 0.00 O ATOM 0 H GLU A 5 35.700 24.014 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 5 34.583 22.126 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 5 35.546 25.033 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 5 35.032 24.066 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.801 22.353 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 5 37.345 23.400 -8.241 1.00 0.00 H new ATOM 89 N GLY A 6 32.723 24.384 -9.274 1.00 0.00 N ATOM 90 CA GLY A 6 31.374 24.947 -9.297 1.00 0.00 C ATOM 91 C GLY A 6 30.336 24.038 -9.967 1.00 0.00 C ATOM 92 O GLY A 6 29.179 24.441 -10.099 1.00 0.00 O ATOM 0 H GLY A 6 33.272 24.562 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 6 31.058 25.151 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 6 31.398 25.903 -9.820 1.00 0.00 H new ATOM 96 N GLU A 7 30.722 22.830 -10.388 1.00 0.00 N ATOM 97 CA GLU A 7 29.771 21.921 -11.022 1.00 0.00 C ATOM 98 C GLU A 7 29.056 21.098 -9.957 1.00 0.00 C ATOM 99 O GLU A 7 29.642 20.758 -8.930 1.00 0.00 O ATOM 100 CB GLU A 7 30.502 20.990 -11.992 1.00 0.00 C ATOM 101 CG GLU A 7 29.478 20.178 -12.793 1.00 0.00 C ATOM 102 CD GLU A 7 30.152 19.160 -13.722 1.00 0.00 C ATOM 103 OE1 GLU A 7 31.372 19.065 -13.724 1.00 0.00 O ATOM 104 OE2 GLU A 7 29.426 18.479 -14.427 1.00 0.00 O ATOM 0 H GLU A 7 31.671 22.466 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 7 29.037 22.506 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 7 31.129 21.572 -12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 7 31.162 20.320 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.812 19.656 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.861 20.855 -13.384 1.00 0.00 H new ATOM 111 N ILE A 8 27.790 20.775 -10.209 1.00 0.00 N ATOM 112 CA ILE A 8 26.992 20.063 -9.217 1.00 0.00 C ATOM 113 C ILE A 8 27.320 18.561 -9.244 1.00 0.00 C ATOM 114 O ILE A 8 27.544 18.012 -10.323 1.00 0.00 O ATOM 115 CB ILE A 8 25.495 20.287 -9.494 1.00 0.00 C ATOM 116 CG1 ILE A 8 25.183 21.794 -9.490 1.00 0.00 C ATOM 117 CG2 ILE A 8 24.658 19.595 -8.411 1.00 0.00 C ATOM 118 CD1 ILE A 8 25.366 22.373 -10.895 1.00 0.00 C ATOM 0 H ILE A 8 27.301 20.991 -11.078 1.00 0.00 H new ATOM 0 HA ILE A 8 27.232 20.450 -8.227 1.00 0.00 H new ATOM 0 HB ILE A 8 25.249 19.867 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 8 24.161 21.961 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 8 25.840 22.307 -8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 8 23.599 19.756 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 8 24.869 18.526 -8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 8 24.910 20.010 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 8 25.143 23.440 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 8 26.396 22.222 -11.219 1.00 0.00 H new ATOM 0 HD13 ILE A 8 24.690 21.870 -11.587 1.00 0.00 H new ATOM 130 N PRO A 9 27.359 17.879 -8.116 1.00 0.00 N ATOM 131 CA PRO A 9 27.472 16.387 -8.105 1.00 0.00 C ATOM 132 C PRO A 9 26.222 15.727 -8.680 1.00 0.00 C ATOM 133 O PRO A 9 25.130 16.287 -8.588 1.00 0.00 O ATOM 134 CB PRO A 9 27.657 16.019 -6.630 1.00 0.00 C ATOM 135 CG PRO A 9 27.091 17.165 -5.868 1.00 0.00 C ATOM 136 CD PRO A 9 27.313 18.402 -6.734 1.00 0.00 C ATOM 0 HA PRO A 9 28.299 16.040 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 9 27.139 15.091 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 9 28.710 15.869 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 9 26.030 17.014 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 9 27.584 17.272 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 9 26.507 19.125 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.240 18.911 -6.470 1.00 0.00 H new ATOM 144 N PHE A 10 26.367 14.536 -9.265 1.00 0.00 N ATOM 145 CA PHE A 10 25.213 13.835 -9.836 1.00 0.00 C ATOM 146 C PHE A 10 24.120 13.673 -8.775 1.00 0.00 C ATOM 147 O PHE A 10 24.437 13.486 -7.599 1.00 0.00 O ATOM 148 CB PHE A 10 25.632 12.461 -10.363 1.00 0.00 C ATOM 149 CG PHE A 10 26.722 12.523 -11.406 1.00 0.00 C ATOM 150 CD1 PHE A 10 28.066 12.533 -11.015 1.00 0.00 C ATOM 151 CD2 PHE A 10 26.388 12.566 -12.765 1.00 0.00 C ATOM 152 CE1 PHE A 10 29.077 12.585 -11.982 1.00 0.00 C ATOM 153 CE2 PHE A 10 27.399 12.620 -13.732 1.00 0.00 C ATOM 154 CZ PHE A 10 28.743 12.629 -13.342 1.00 0.00 C ATOM 0 H PHE A 10 27.255 14.043 -9.356 1.00 0.00 H new ATOM 0 HA PHE A 10 24.823 14.426 -10.665 1.00 0.00 H new ATOM 0 HB2 PHE A 10 25.973 11.849 -9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 10 24.761 11.963 -10.788 1.00 0.00 H new ATOM 0 HD1 PHE A 10 28.323 12.501 -9.967 1.00 0.00 H new ATOM 0 HD2 PHE A 10 25.351 12.558 -13.067 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.114 12.591 -11.680 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.141 12.655 -14.780 1.00 0.00 H new ATOM 0 HZ PHE A 10 29.522 12.670 -14.089 1.00 0.00 H new ATOM 164 N PRO A 11 22.860 13.732 -9.142 1.00 0.00 N ATOM 165 CA PRO A 11 21.777 13.928 -8.127 1.00 0.00 C ATOM 166 C PRO A 11 21.744 12.914 -6.974 1.00 0.00 C ATOM 167 O PRO A 11 21.388 13.316 -5.862 1.00 0.00 O ATOM 168 CB PRO A 11 20.477 13.834 -8.937 1.00 0.00 C ATOM 169 CG PRO A 11 20.857 14.066 -10.359 1.00 0.00 C ATOM 170 CD PRO A 11 22.305 13.609 -10.505 1.00 0.00 C ATOM 0 HA PRO A 11 21.939 14.879 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.011 12.857 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.754 14.577 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.205 13.507 -11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.755 15.119 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 11 22.365 12.583 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 11 22.850 14.231 -11.215 1.00 0.00 H new ATOM 178 N PRO A 12 22.077 11.651 -7.165 1.00 0.00 N ATOM 179 CA PRO A 12 22.187 10.706 -6.008 1.00 0.00 C ATOM 180 C PRO A 12 23.255 11.141 -5.006 1.00 0.00 C ATOM 181 O PRO A 12 24.365 11.506 -5.394 1.00 0.00 O ATOM 182 CB PRO A 12 22.551 9.360 -6.644 1.00 0.00 C ATOM 183 CG PRO A 12 22.142 9.469 -8.072 1.00 0.00 C ATOM 184 CD PRO A 12 22.278 10.944 -8.443 1.00 0.00 C ATOM 0 HA PRO A 12 21.259 10.666 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.619 9.161 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.032 8.539 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.775 8.848 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.117 9.126 -8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 12 23.258 11.160 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.536 11.240 -9.184 1.00 0.00 H new ATOM 192 N THR A 13 22.918 11.102 -3.722 1.00 0.00 N ATOM 193 CA THR A 13 23.923 11.218 -2.665 1.00 0.00 C ATOM 194 C THR A 13 24.941 10.071 -2.700 1.00 0.00 C ATOM 195 O THR A 13 26.081 10.211 -2.240 1.00 0.00 O ATOM 196 CB THR A 13 23.233 11.240 -1.298 1.00 0.00 C ATOM 197 OG1 THR A 13 24.216 11.324 -0.276 1.00 0.00 O ATOM 198 CG2 THR A 13 22.412 9.962 -1.115 1.00 0.00 C ATOM 0 H THR A 13 21.961 10.991 -3.386 1.00 0.00 H new ATOM 0 HA THR A 13 24.465 12.148 -2.834 1.00 0.00 H new ATOM 0 HB THR A 13 22.571 12.104 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 23.777 11.340 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 13 21.922 9.980 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.658 9.899 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 13 23.070 9.095 -1.174 1.00 0.00 H new ATOM 206 N SER A 14 24.527 8.920 -3.230 1.00 0.00 N ATOM 207 CA SER A 14 25.325 7.711 -3.092 1.00 0.00 C ATOM 208 C SER A 14 26.720 7.893 -3.675 1.00 0.00 C ATOM 209 O SER A 14 27.686 7.346 -3.137 1.00 0.00 O ATOM 210 CB SER A 14 24.628 6.548 -3.798 1.00 0.00 C ATOM 211 OG SER A 14 23.309 6.415 -3.286 1.00 0.00 O ATOM 0 H SER A 14 23.657 8.804 -3.750 1.00 0.00 H new ATOM 0 HA SER A 14 25.425 7.496 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.598 6.725 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 14 25.186 5.625 -3.642 1.00 0.00 H new ATOM 0 HG SER A 14 22.857 5.672 -3.737 1.00 0.00 H new ATOM 217 N ILE A 15 26.837 8.676 -4.750 1.00 0.00 N ATOM 218 CA ILE A 15 28.148 8.846 -5.375 1.00 0.00 C ATOM 219 C ILE A 15 29.152 9.435 -4.383 1.00 0.00 C ATOM 220 O ILE A 15 30.329 9.065 -4.391 1.00 0.00 O ATOM 221 CB ILE A 15 28.046 9.719 -6.634 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.614 11.148 -6.270 1.00 0.00 C ATOM 223 CG2 ILE A 15 27.022 9.107 -7.595 1.00 0.00 C ATOM 224 CD1 ILE A 15 27.623 12.066 -7.504 1.00 0.00 C ATOM 0 H ILE A 15 26.071 9.184 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 15 28.508 7.862 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 15 29.025 9.761 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 15 26.614 11.129 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.284 11.550 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.948 9.725 -8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.340 8.102 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 15 26.049 9.058 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.313 13.070 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.629 12.104 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.934 11.676 -8.253 1.00 0.00 H new ATOM 236 N LEU A 16 28.682 10.309 -3.487 1.00 0.00 N ATOM 237 CA LEU A 16 29.545 10.805 -2.420 1.00 0.00 C ATOM 238 C LEU A 16 30.016 9.659 -1.528 1.00 0.00 C ATOM 239 O LEU A 16 31.173 9.620 -1.102 1.00 0.00 O ATOM 240 CB LEU A 16 28.786 11.837 -1.581 1.00 0.00 C ATOM 241 CG LEU A 16 29.716 12.453 -0.532 1.00 0.00 C ATOM 242 CD1 LEU A 16 30.743 13.357 -1.219 1.00 0.00 C ATOM 243 CD2 LEU A 16 28.884 13.278 0.454 1.00 0.00 C ATOM 0 H LEU A 16 27.731 10.678 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 16 30.420 11.273 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 16 28.386 12.619 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 16 27.936 11.363 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 16 30.239 11.660 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 31.403 13.793 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 16 31.332 12.769 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 16 30.226 14.153 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 16 29.541 13.719 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.363 14.070 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.156 12.632 0.945 1.00 0.00 H new ATOM 255 N LEU A 17 29.121 8.699 -1.279 1.00 0.00 N ATOM 256 CA LEU A 17 29.496 7.542 -0.473 1.00 0.00 C ATOM 257 C LEU A 17 30.631 6.759 -1.125 1.00 0.00 C ATOM 258 O LEU A 17 31.517 6.245 -0.436 1.00 0.00 O ATOM 259 CB LEU A 17 28.288 6.624 -0.270 1.00 0.00 C ATOM 260 CG LEU A 17 28.632 5.551 0.764 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.720 6.189 2.152 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.539 4.479 0.765 1.00 0.00 C ATOM 0 H LEU A 17 28.158 8.700 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 17 29.841 7.907 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.428 7.205 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.009 6.158 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 17 29.590 5.096 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.965 5.424 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.496 6.955 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.762 6.643 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.782 3.713 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.582 4.935 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.474 4.025 -0.224 1.00 0.00 H new ATOM 274 N LEU A 18 30.622 6.688 -2.458 1.00 0.00 N ATOM 275 CA LEU A 18 31.702 6.003 -3.163 1.00 0.00 C ATOM 276 C LEU A 18 33.047 6.669 -2.886 1.00 0.00 C ATOM 277 O LEU A 18 34.066 5.991 -2.746 1.00 0.00 O ATOM 278 CB LEU A 18 31.432 5.992 -4.678 1.00 0.00 C ATOM 279 CG LEU A 18 30.523 4.822 -5.097 1.00 0.00 C ATOM 280 CD1 LEU A 18 31.240 3.486 -4.881 1.00 0.00 C ATOM 281 CD2 LEU A 18 29.209 4.833 -4.307 1.00 0.00 C ATOM 0 H LEU A 18 29.898 7.086 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 18 31.741 4.977 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.967 6.934 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.379 5.925 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 18 30.293 4.942 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.585 2.669 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.150 3.461 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.496 3.377 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.587 3.996 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.424 4.743 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 28.681 5.768 -4.493 1.00 0.00 H new ATOM 293 N LEU A 19 33.042 7.998 -2.771 1.00 0.00 N ATOM 294 CA LEU A 19 34.261 8.705 -2.382 1.00 0.00 C ATOM 295 C LEU A 19 34.744 8.260 -1.001 1.00 0.00 C ATOM 296 O LEU A 19 35.949 8.168 -0.753 1.00 0.00 O ATOM 297 CB LEU A 19 34.018 10.216 -2.397 1.00 0.00 C ATOM 298 CG LEU A 19 33.591 10.658 -3.802 1.00 0.00 C ATOM 299 CD1 LEU A 19 33.206 12.140 -3.779 1.00 0.00 C ATOM 300 CD2 LEU A 19 34.752 10.453 -4.779 1.00 0.00 C ATOM 0 H LEU A 19 32.230 8.593 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 19 35.040 8.460 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.246 10.477 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.925 10.743 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 19 32.735 10.063 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.903 12.453 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.379 12.290 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.062 12.733 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.447 10.767 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.608 11.046 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.029 9.399 -4.799 1.00 0.00 H new ATOM 312 N ALA A 20 33.802 7.931 -0.117 1.00 0.00 N ATOM 313 CA ALA A 20 34.167 7.396 1.190 1.00 0.00 C ATOM 314 C ALA A 20 34.920 6.078 1.042 1.00 0.00 C ATOM 315 O ALA A 20 35.908 5.827 1.737 1.00 0.00 O ATOM 316 CB ALA A 20 32.910 7.175 2.034 1.00 0.00 C ATOM 0 H ALA A 20 32.799 8.024 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 20 34.816 8.117 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.192 6.775 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.390 8.124 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.252 6.468 1.528 1.00 0.00 H new ATOM 322 N CYS A 21 34.476 5.250 0.099 1.00 0.00 N ATOM 323 CA CYS A 21 35.160 3.987 -0.156 1.00 0.00 C ATOM 324 C CYS A 21 36.606 4.232 -0.581 1.00 0.00 C ATOM 325 O CYS A 21 37.513 3.498 -0.185 1.00 0.00 O ATOM 326 CB CYS A 21 34.431 3.210 -1.253 1.00 0.00 C ATOM 327 SG CYS A 21 32.725 2.890 -0.736 1.00 0.00 S ATOM 0 H CYS A 21 33.662 5.426 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 21 35.158 3.405 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.440 3.779 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.945 2.269 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 21 32.103 4.019 -0.568 1.00 0.00 H new ATOM 333 N ILE A 22 36.821 5.280 -1.379 1.00 0.00 N ATOM 334 CA ILE A 22 38.177 5.620 -1.796 1.00 0.00 C ATOM 335 C ILE A 22 39.057 5.922 -0.581 1.00 0.00 C ATOM 336 O ILE A 22 40.250 5.608 -0.576 1.00 0.00 O ATOM 337 CB ILE A 22 38.144 6.833 -2.739 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.257 6.517 -3.948 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.558 7.154 -3.237 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.075 7.778 -4.796 1.00 0.00 C ATOM 0 H ILE A 22 36.091 5.893 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 22 38.603 4.767 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 22 37.746 7.689 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.709 5.726 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.287 6.148 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.522 8.015 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.201 7.381 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.958 6.295 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.444 7.551 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.604 8.556 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.048 8.127 -5.143 1.00 0.00 H new ATOM 352 N PHE A 23 38.474 6.527 0.455 1.00 0.00 N ATOM 353 CA PHE A 23 39.220 6.712 1.698 1.00 0.00 C ATOM 354 C PHE A 23 39.642 5.366 2.285 1.00 0.00 C ATOM 355 O PHE A 23 40.749 5.226 2.813 1.00 0.00 O ATOM 356 CB PHE A 23 38.369 7.472 2.718 1.00 0.00 C ATOM 357 CG PHE A 23 39.132 7.870 3.959 1.00 0.00 C ATOM 358 CD1 PHE A 23 39.886 9.051 3.967 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.087 7.061 5.100 1.00 0.00 C ATOM 360 CE1 PHE A 23 40.593 9.422 5.117 1.00 0.00 C ATOM 361 CE2 PHE A 23 39.794 7.432 6.250 1.00 0.00 C ATOM 362 CZ PHE A 23 40.548 8.613 6.258 1.00 0.00 C ATOM 0 H PHE A 23 37.519 6.886 0.461 1.00 0.00 H new ATOM 0 HA PHE A 23 40.115 7.291 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.964 8.368 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.520 6.852 3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 23 39.922 9.675 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 23 38.507 6.150 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 23 41.173 10.333 5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 23 39.758 6.808 7.131 1.00 0.00 H new ATOM 0 HZ PHE A 23 41.094 8.899 7.145 1.00 0.00 H new ATOM 372 N LEU A 24 38.772 4.361 2.155 1.00 0.00 N ATOM 373 CA LEU A 24 39.073 3.055 2.729 1.00 0.00 C ATOM 374 C LEU A 24 40.316 2.438 2.101 1.00 0.00 C ATOM 375 O LEU A 24 41.169 1.890 2.808 1.00 0.00 O ATOM 376 CB LEU A 24 37.878 2.118 2.531 1.00 0.00 C ATOM 377 CG LEU A 24 38.100 0.807 3.292 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.770 1.008 4.774 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.184 -0.275 2.716 1.00 0.00 C ATOM 0 H LEU A 24 37.877 4.426 1.670 1.00 0.00 H new ATOM 0 HA LEU A 24 39.267 3.193 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.966 2.601 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.741 1.912 1.470 1.00 0.00 H new ATOM 0 HG LEU A 24 39.142 0.503 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.929 0.074 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.417 1.781 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.729 1.313 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.340 -1.209 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.144 0.035 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.414 -0.423 1.661 1.00 0.00 H new ATOM 391 N ILE A 25 40.441 2.559 0.776 1.00 0.00 N ATOM 392 CA ILE A 25 41.638 2.031 0.122 1.00 0.00 C ATOM 393 C ILE A 25 42.896 2.752 0.598 1.00 0.00 C ATOM 394 O ILE A 25 43.962 2.139 0.693 1.00 0.00 O ATOM 395 CB ILE A 25 41.537 2.027 -1.409 1.00 0.00 C ATOM 396 CG1 ILE A 25 41.406 3.445 -1.963 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.316 1.207 -1.832 1.00 0.00 C ATOM 398 CD1 ILE A 25 41.863 3.465 -3.423 1.00 0.00 C ATOM 0 H ILE A 25 39.759 2.999 0.158 1.00 0.00 H new ATOM 0 HA ILE A 25 41.713 0.986 0.422 1.00 0.00 H new ATOM 0 HB ILE A 25 42.450 1.586 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.372 3.782 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 25 42.009 4.135 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.240 1.202 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.422 0.184 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.415 1.651 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 25 41.770 4.476 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 25 42.904 3.146 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 25 41.241 2.787 -4.008 1.00 0.00 H new ATOM 410 N LYS A 26 42.776 4.042 0.929 1.00 0.00 N ATOM 411 CA LYS A 26 43.921 4.760 1.482 1.00 0.00 C ATOM 412 C LYS A 26 44.399 4.106 2.777 1.00 0.00 C ATOM 413 O LYS A 26 45.603 4.047 3.045 1.00 0.00 O ATOM 414 CB LYS A 26 43.540 6.219 1.751 1.00 0.00 C ATOM 415 CG LYS A 26 44.770 7.015 2.192 1.00 0.00 C ATOM 416 CD LYS A 26 45.671 7.292 0.986 1.00 0.00 C ATOM 417 CE LYS A 26 46.848 8.166 1.419 1.00 0.00 C ATOM 418 NZ LYS A 26 47.780 7.362 2.259 1.00 0.00 N ATOM 0 H LYS A 26 41.924 4.594 0.827 1.00 0.00 H new ATOM 0 HA LYS A 26 44.733 4.723 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.114 6.663 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.772 6.265 2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 26 44.461 7.955 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.322 6.458 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 26 46.036 6.354 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 26 45.103 7.791 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 26 47.371 8.551 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.488 9.028 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 48.671 7.883 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 47.347 7.187 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 47.973 6.454 1.791 1.00 0.00 H new ATOM 432 N ILE A 27 43.460 3.574 3.565 1.00 0.00 N ATOM 433 CA ILE A 27 43.844 2.821 4.758 1.00 0.00 C ATOM 434 C ILE A 27 44.684 1.601 4.377 1.00 0.00 C ATOM 435 O ILE A 27 45.637 1.247 5.074 1.00 0.00 O ATOM 436 CB ILE A 27 42.598 2.377 5.538 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.747 3.602 5.887 1.00 0.00 C ATOM 438 CG2 ILE A 27 43.017 1.680 6.837 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.424 3.147 6.508 1.00 0.00 C ATOM 0 H ILE A 27 42.456 3.648 3.404 1.00 0.00 H new ATOM 0 HA ILE A 27 44.443 3.473 5.394 1.00 0.00 H new ATOM 0 HB ILE A 27 42.022 1.687 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.285 4.245 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.556 4.192 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.128 1.368 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.624 0.806 6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.597 2.370 7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.819 4.019 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.884 2.522 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.625 2.575 7.414 1.00 0.00 H new ATOM 451 N LEU A 28 44.351 0.979 3.243 1.00 0.00 N ATOM 452 CA LEU A 28 45.159 -0.131 2.744 1.00 0.00 C ATOM 453 C LEU A 28 46.596 0.313 2.469 1.00 0.00 C ATOM 454 O LEU A 28 47.540 -0.446 2.686 1.00 0.00 O ATOM 455 CB LEU A 28 44.529 -0.696 1.466 1.00 0.00 C ATOM 456 CG LEU A 28 45.109 -2.086 1.153 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.053 -2.937 0.435 1.00 0.00 C ATOM 458 CD2 LEU A 28 46.347 -1.951 0.255 1.00 0.00 C ATOM 0 H LEU A 28 43.545 1.220 2.666 1.00 0.00 H new ATOM 0 HA LEU A 28 45.187 -0.907 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.448 -0.764 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.716 -0.020 0.631 1.00 0.00 H new ATOM 0 HG LEU A 28 45.394 -2.567 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 28 44.467 -3.921 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 28 43.178 -3.047 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.763 -2.449 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 46.750 -2.941 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 46.068 -1.462 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 28 47.103 -1.355 0.765 1.00 0.00 H new ATOM 470 N ALA A 29 46.760 1.562 2.031 1.00 0.00 N ATOM 471 CA ALA A 29 48.094 2.107 1.806 1.00 0.00 C ATOM 472 C ALA A 29 48.894 2.164 3.103 1.00 0.00 C ATOM 473 O ALA A 29 50.092 1.872 3.121 1.00 0.00 O ATOM 474 CB ALA A 29 47.987 3.513 1.212 1.00 0.00 C ATOM 0 H ALA A 29 45.995 2.206 1.828 1.00 0.00 H new ATOM 0 HA ALA A 29 48.614 1.449 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.987 3.915 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.452 3.467 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.446 4.160 1.903 1.00 0.00 H new ATOM 480 N ALA A 30 48.218 2.511 4.197 1.00 0.00 N ATOM 481 CA ALA A 30 48.885 2.541 5.496 1.00 0.00 C ATOM 482 C ALA A 30 49.424 1.159 5.852 1.00 0.00 C ATOM 483 O ALA A 30 50.536 1.023 6.372 1.00 0.00 O ATOM 484 CB ALA A 30 47.905 3.004 6.576 1.00 0.00 C ATOM 0 H ALA A 30 47.231 2.770 4.212 1.00 0.00 H new ATOM 0 HA ALA A 30 49.719 3.241 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.410 3.024 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.544 4.004 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.062 2.315 6.622 1.00 0.00 H new ATOM 490 N SER A 31 48.654 0.125 5.520 1.00 0.00 N ATOM 491 CA SER A 31 49.130 -1.242 5.703 1.00 0.00 C ATOM 492 C SER A 31 50.401 -1.491 4.891 1.00 0.00 C ATOM 493 O SER A 31 51.297 -2.211 5.335 1.00 0.00 O ATOM 494 CB SER A 31 48.047 -2.232 5.273 1.00 0.00 C ATOM 495 OG SER A 31 46.844 -1.943 5.974 1.00 0.00 O ATOM 0 H SER A 31 47.715 0.205 5.130 1.00 0.00 H new ATOM 0 HA SER A 31 49.359 -1.385 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.881 -2.163 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.367 -3.253 5.482 1.00 0.00 H new ATOM 0 HG SER A 31 46.146 -2.574 5.700 1.00 0.00 H new ATOM 501 N ALA A 32 50.497 -0.866 3.716 1.00 0.00 N ATOM 502 CA ALA A 32 51.676 -1.048 2.879 1.00 0.00 C ATOM 503 C ALA A 32 52.924 -0.558 3.602 1.00 0.00 C ATOM 504 O ALA A 32 53.972 -1.209 3.566 1.00 0.00 O ATOM 505 CB ALA A 32 51.509 -0.278 1.567 1.00 0.00 C ATOM 0 H ALA A 32 49.787 -0.243 3.332 1.00 0.00 H new ATOM 0 HA ALA A 32 51.787 -2.111 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.394 -0.419 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.632 -0.649 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.382 0.783 1.782 1.00 0.00 H new ATOM 511 N LEU A 33 52.804 0.582 4.285 1.00 0.00 N ATOM 512 CA LEU A 33 53.940 1.101 5.041 1.00 0.00 C ATOM 513 C LEU A 33 54.389 0.104 6.106 1.00 0.00 C ATOM 514 O LEU A 33 55.588 -0.053 6.356 1.00 0.00 O ATOM 515 CB LEU A 33 53.558 2.423 5.713 1.00 0.00 C ATOM 516 CG LEU A 33 53.107 3.435 4.658 1.00 0.00 C ATOM 517 CD1 LEU A 33 52.623 4.710 5.351 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.280 3.779 3.737 1.00 0.00 C ATOM 0 H LEU A 33 51.957 1.148 4.330 1.00 0.00 H new ATOM 0 HA LEU A 33 54.764 1.264 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.758 2.256 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 54.409 2.818 6.267 1.00 0.00 H new ATOM 0 HG LEU A 33 52.297 3.004 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 52.301 5.432 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 33 51.786 4.472 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 53.436 5.136 5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 53.955 4.500 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.091 4.208 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.631 2.874 3.242 1.00 0.00 H new ATOM 530 N TRP A 34 53.429 -0.603 6.708 1.00 0.00 N ATOM 531 CA TRP A 34 53.781 -1.671 7.642 1.00 0.00 C ATOM 532 C TRP A 34 54.622 -2.751 6.960 1.00 0.00 C ATOM 533 O TRP A 34 55.514 -3.338 7.574 1.00 0.00 O ATOM 534 CB TRP A 34 52.516 -2.305 8.225 1.00 0.00 C ATOM 535 CG TRP A 34 52.792 -3.256 9.345 1.00 0.00 C ATOM 536 CD1 TRP A 34 52.691 -4.603 9.262 1.00 0.00 C ATOM 537 CD2 TRP A 34 53.210 -2.960 10.710 1.00 0.00 C ATOM 538 NE1 TRP A 34 53.021 -5.153 10.488 1.00 0.00 N ATOM 539 CE2 TRP A 34 53.348 -4.182 11.413 1.00 0.00 C ATOM 540 CE3 TRP A 34 53.481 -1.765 11.398 1.00 0.00 C ATOM 541 CZ2 TRP A 34 53.741 -4.214 12.753 1.00 0.00 C ATOM 542 CZ3 TRP A 34 53.875 -1.794 12.744 1.00 0.00 C ATOM 543 CH2 TRP A 34 54.005 -3.014 13.421 1.00 0.00 C ATOM 0 H TRP A 34 52.429 -0.460 6.570 1.00 0.00 H new ATOM 0 HA TRP A 34 54.371 -1.227 8.444 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.854 -1.516 8.583 1.00 0.00 H new ATOM 0 HB3 TRP A 34 51.984 -2.832 7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.400 -5.158 8.382 1.00 0.00 H new ATOM 0 HE1 TRP A 34 53.022 -6.154 10.684 1.00 0.00 H new ATOM 0 HE3 TRP A 34 53.385 -0.818 10.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 53.840 -5.158 13.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 54.080 -0.869 13.262 1.00 0.00 H new ATOM 0 HH2 TRP A 34 54.309 -3.028 14.457 1.00 0.00 H new ATOM 554 N ALA A 35 54.368 -2.981 5.673 1.00 0.00 N ATOM 555 CA ALA A 35 55.173 -3.927 4.908 1.00 0.00 C ATOM 556 C ALA A 35 56.625 -3.470 4.817 1.00 0.00 C ATOM 557 O ALA A 35 57.552 -4.277 4.921 1.00 0.00 O ATOM 558 CB ALA A 35 54.597 -4.078 3.498 1.00 0.00 C ATOM 0 H ALA A 35 53.621 -2.531 5.145 1.00 0.00 H new ATOM 0 HA ALA A 35 55.146 -4.887 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 35 55.202 -4.786 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 53.573 -4.446 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.605 -3.110 2.996 1.00 0.00 H new ATOM 564 N ALA A 36 56.819 -2.161 4.664 1.00 0.00 N ATOM 565 CA ALA A 36 58.171 -1.626 4.560 1.00 0.00 C ATOM 566 C ALA A 36 58.970 -1.941 5.819 1.00 0.00 C ATOM 567 O ALA A 36 60.152 -2.275 5.745 1.00 0.00 O ATOM 568 CB ALA A 36 58.119 -0.111 4.352 1.00 0.00 C ATOM 0 H ALA A 36 56.074 -1.466 4.610 1.00 0.00 H new ATOM 0 HA ALA A 36 58.661 -2.093 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.133 0.281 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.574 0.112 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.613 0.355 5.197 1.00 0.00 H new ATOM 574 N ALA A 37 58.317 -1.840 6.974 1.00 0.00 N ATOM 575 CA ALA A 37 58.962 -2.212 8.230 1.00 0.00 C ATOM 576 C ALA A 37 59.316 -3.698 8.266 1.00 0.00 C ATOM 577 O ALA A 37 60.370 -4.078 8.788 1.00 0.00 O ATOM 578 CB ALA A 37 58.037 -1.882 9.403 1.00 0.00 C ATOM 0 H ALA A 37 57.357 -1.509 7.067 1.00 0.00 H new ATOM 0 HA ALA A 37 59.888 -1.642 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 37 58.522 -2.161 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 37 57.825 -0.813 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 37 57.104 -2.437 9.298 1.00 0.00 H new ATOM 584 N TRP A 38 58.412 -4.522 7.727 1.00 0.00 N ATOM 585 CA TRP A 38 58.623 -5.968 7.673 1.00 0.00 C ATOM 586 C TRP A 38 59.896 -6.348 6.919 1.00 0.00 C ATOM 587 O TRP A 38 60.498 -7.383 7.203 1.00 0.00 O ATOM 588 CB TRP A 38 57.424 -6.644 7.007 1.00 0.00 C ATOM 589 CG TRP A 38 57.494 -8.137 7.041 1.00 0.00 C ATOM 590 CD1 TRP A 38 57.908 -8.916 6.016 1.00 0.00 C ATOM 591 CD2 TRP A 38 57.151 -9.042 8.131 1.00 0.00 C ATOM 592 NE1 TRP A 38 57.843 -10.241 6.407 1.00 0.00 N ATOM 593 CE2 TRP A 38 57.382 -10.371 7.701 1.00 0.00 C ATOM 594 CE3 TRP A 38 56.667 -8.842 9.436 1.00 0.00 C ATOM 595 CZ2 TRP A 38 57.140 -11.463 8.538 1.00 0.00 C ATOM 596 CZ3 TRP A 38 56.424 -9.936 10.279 1.00 0.00 C ATOM 597 CH2 TRP A 38 56.659 -11.243 9.833 1.00 0.00 C ATOM 0 H TRP A 38 57.529 -4.211 7.323 1.00 0.00 H new ATOM 0 HA TRP A 38 58.733 -6.312 8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 38 56.510 -6.318 7.504 1.00 0.00 H new ATOM 0 HB3 TRP A 38 57.359 -6.314 5.970 1.00 0.00 H new ATOM 0 HD1 TRP A 38 58.236 -8.561 5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 38 58.104 -11.027 5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 38 56.481 -7.839 9.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 57.323 -12.468 8.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 56.053 -9.770 11.280 1.00 0.00 H new ATOM 0 HH2 TRP A 38 56.469 -12.080 10.488 1.00 0.00 H new