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= -0.846 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc=-0.00481 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 84:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 7.560 -0.509 8.077 1.00 0.00 N ATOM 37 CA LEU A 3 7.596 0.441 6.967 1.00 0.00 C ATOM 38 C LEU A 3 8.992 1.031 6.743 1.00 0.00 C ATOM 39 O LEU A 3 9.292 1.498 5.644 1.00 0.00 O ATOM 40 CB LEU A 3 6.592 1.577 7.229 1.00 0.00 C ATOM 41 CG LEU A 3 5.166 1.208 6.781 1.00 0.00 C ATOM 42 CD1 LEU A 3 5.113 1.071 5.257 1.00 0.00 C ATOM 43 CD2 LEU A 3 4.701 -0.102 7.430 1.00 0.00 C ATOM 0 HA LEU A 3 7.326 -0.105 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.586 1.816 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.916 2.474 6.702 1.00 0.00 H new ATOM 0 HG LEU A 3 4.497 2.007 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.100 0.810 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.399 2.017 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.802 0.289 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.691 -0.336 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.375 -0.909 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.707 0.007 8.515 1.00 0.00 H new ATOM 55 N LEU A 4 9.830 1.044 7.777 1.00 0.00 N ATOM 56 CA LEU A 4 11.165 1.631 7.658 1.00 0.00 C ATOM 57 C LEU A 4 11.986 0.977 6.542 1.00 0.00 C ATOM 58 O LEU A 4 12.890 1.604 5.989 1.00 0.00 O ATOM 59 CB LEU A 4 11.919 1.499 8.983 1.00 0.00 C ATOM 60 CG LEU A 4 11.337 2.478 10.006 1.00 0.00 C ATOM 61 CD1 LEU A 4 10.113 1.854 10.679 1.00 0.00 C ATOM 62 CD2 LEU A 4 12.394 2.795 11.067 1.00 0.00 C ATOM 0 H LEU A 4 9.613 0.660 8.697 1.00 0.00 H new ATOM 0 HA LEU A 4 11.031 2.683 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.841 0.478 9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.979 1.703 8.832 1.00 0.00 H new ATOM 0 HG LEU A 4 11.041 3.396 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.702 2.554 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.359 1.629 9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.406 0.934 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.980 3.492 11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.690 1.875 11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.265 3.244 10.590 1.00 0.00 H new ATOM 74 N GLU A 5 11.679 -0.276 6.212 1.00 0.00 N ATOM 75 CA GLU A 5 12.435 -0.994 5.185 1.00 0.00 C ATOM 76 C GLU A 5 11.904 -0.747 3.767 1.00 0.00 C ATOM 77 O GLU A 5 12.607 -1.013 2.792 1.00 0.00 O ATOM 78 CB GLU A 5 12.401 -2.495 5.479 1.00 0.00 C ATOM 79 CG GLU A 5 13.085 -2.770 6.823 1.00 0.00 C ATOM 80 CD GLU A 5 14.561 -2.362 6.794 1.00 0.00 C ATOM 81 OE1 GLU A 5 15.111 -2.204 5.714 1.00 0.00 O ATOM 82 OE2 GLU A 5 15.125 -2.214 7.866 1.00 0.00 O ATOM 0 H GLU A 5 10.921 -0.811 6.635 1.00 0.00 H new ATOM 0 HA GLU A 5 13.456 -0.614 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.370 -2.848 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.905 -3.043 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.570 -2.223 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.004 -3.830 7.064 1.00 0.00 H new ATOM 89 N GLY A 6 10.678 -0.243 3.643 1.00 0.00 N ATOM 90 CA GLY A 6 10.078 -0.021 2.329 1.00 0.00 C ATOM 91 C GLY A 6 10.268 1.403 1.791 1.00 0.00 C ATOM 92 O GLY A 6 9.735 1.722 0.727 1.00 0.00 O ATOM 0 H GLY A 6 10.084 0.018 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.509 -0.727 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.011 -0.238 2.386 1.00 0.00 H new ATOM 96 N GLU A 7 11.009 2.260 2.499 1.00 0.00 N ATOM 97 CA GLU A 7 11.165 3.648 2.068 1.00 0.00 C ATOM 98 C GLU A 7 12.332 3.787 1.093 1.00 0.00 C ATOM 99 O GLU A 7 13.343 3.098 1.217 1.00 0.00 O ATOM 100 CB GLU A 7 11.414 4.539 3.288 1.00 0.00 C ATOM 101 CG GLU A 7 11.421 6.014 2.865 1.00 0.00 C ATOM 102 CD GLU A 7 11.767 6.942 4.036 1.00 0.00 C ATOM 103 OE1 GLU A 7 12.015 6.458 5.132 1.00 0.00 O ATOM 104 OE2 GLU A 7 11.780 8.141 3.815 1.00 0.00 O ATOM 0 H GLU A 7 11.502 2.021 3.359 1.00 0.00 H new ATOM 0 HA GLU A 7 10.250 3.957 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.640 4.370 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.366 4.280 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.143 6.158 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.443 6.282 2.466 1.00 0.00 H new ATOM 111 N ILE A 8 12.180 4.686 0.122 1.00 0.00 N ATOM 112 CA ILE A 8 13.228 4.917 -0.870 1.00 0.00 C ATOM 113 C ILE A 8 14.326 5.824 -0.293 1.00 0.00 C ATOM 114 O ILE A 8 14.009 6.746 0.460 1.00 0.00 O ATOM 115 CB ILE A 8 12.640 5.578 -2.124 1.00 0.00 C ATOM 116 CG1 ILE A 8 11.468 4.750 -2.665 1.00 0.00 C ATOM 117 CG2 ILE A 8 13.719 5.672 -3.205 1.00 0.00 C ATOM 118 CD1 ILE A 8 10.761 5.503 -3.798 1.00 0.00 C ATOM 0 H ILE A 8 11.347 5.263 0.001 1.00 0.00 H new ATOM 0 HA ILE A 8 13.659 3.952 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 8 12.285 6.574 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.831 3.789 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.761 4.540 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.302 6.141 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.552 6.270 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.073 4.672 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.932 4.903 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 8 10.381 6.453 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.467 5.690 -4.607 1.00 0.00 H new ATOM 130 N PRO A 9 15.589 5.604 -0.601 1.00 0.00 N ATOM 131 CA PRO A 9 16.662 6.587 -0.246 1.00 0.00 C ATOM 132 C PRO A 9 16.503 7.897 -1.019 1.00 0.00 C ATOM 133 O PRO A 9 16.049 7.893 -2.163 1.00 0.00 O ATOM 134 CB PRO A 9 17.979 5.884 -0.609 1.00 0.00 C ATOM 135 CG PRO A 9 17.631 4.451 -0.831 1.00 0.00 C ATOM 136 CD PRO A 9 16.172 4.432 -1.276 1.00 0.00 C ATOM 0 HA PRO A 9 16.622 6.864 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.421 6.322 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.711 5.988 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.275 4.007 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.767 3.871 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.082 4.508 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.674 3.509 -0.979 1.00 0.00 H new ATOM 144 N PHE A 10 16.872 9.016 -0.397 1.00 0.00 N ATOM 145 CA PHE A 10 16.843 10.306 -1.088 1.00 0.00 C ATOM 146 C PHE A 10 17.698 10.243 -2.359 1.00 0.00 C ATOM 147 O PHE A 10 18.721 9.553 -2.360 1.00 0.00 O ATOM 148 CB PHE A 10 17.367 11.412 -0.170 1.00 0.00 C ATOM 149 CG PHE A 10 16.469 11.689 1.013 1.00 0.00 C ATOM 150 CD1 PHE A 10 16.618 10.951 2.192 1.00 0.00 C ATOM 151 CD2 PHE A 10 15.488 12.684 0.929 1.00 0.00 C ATOM 152 CE1 PHE A 10 15.787 11.207 3.288 1.00 0.00 C ATOM 153 CE2 PHE A 10 14.656 12.940 2.025 1.00 0.00 C ATOM 154 CZ PHE A 10 14.805 12.202 3.205 1.00 0.00 C ATOM 0 H PHE A 10 17.191 9.057 0.571 1.00 0.00 H new ATOM 0 HA PHE A 10 15.812 10.530 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 10 18.357 11.134 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 10 17.485 12.328 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 10 17.375 10.183 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.373 13.254 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.903 10.637 4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.899 13.707 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.163 12.400 4.051 1.00 0.00 H new ATOM 164 N PRO A 11 17.330 10.927 -3.425 1.00 0.00 N ATOM 165 CA PRO A 11 18.065 10.781 -4.723 1.00 0.00 C ATOM 166 C PRO A 11 19.572 11.066 -4.635 1.00 0.00 C ATOM 167 O PRO A 11 20.343 10.407 -5.335 1.00 0.00 O ATOM 168 CB PRO A 11 17.388 11.784 -5.666 1.00 0.00 C ATOM 169 CG PRO A 11 16.072 12.115 -5.047 1.00 0.00 C ATOM 170 CD PRO A 11 16.222 11.895 -3.544 1.00 0.00 C ATOM 0 HA PRO A 11 18.011 9.747 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.998 12.679 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.254 11.355 -6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.793 13.147 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.284 11.481 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.451 12.827 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.304 11.504 -3.106 1.00 0.00 H new ATOM 178 N PRO A 12 20.024 12.000 -3.824 1.00 0.00 N ATOM 179 CA PRO A 12 21.479 12.098 -3.494 1.00 0.00 C ATOM 180 C PRO A 12 21.977 10.819 -2.831 1.00 0.00 C ATOM 181 O PRO A 12 21.271 10.244 -2.005 1.00 0.00 O ATOM 182 CB PRO A 12 21.579 13.288 -2.535 1.00 0.00 C ATOM 183 CG PRO A 12 20.358 14.104 -2.789 1.00 0.00 C ATOM 184 CD PRO A 12 19.273 13.126 -3.236 1.00 0.00 C ATOM 0 HA PRO A 12 22.094 12.233 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.620 12.955 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.484 13.867 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.053 14.638 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.545 14.855 -3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.659 12.800 -2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.602 13.581 -3.964 1.00 0.00 H new ATOM 192 N THR A 13 23.195 10.394 -3.161 1.00 0.00 N ATOM 193 CA THR A 13 23.780 9.213 -2.520 1.00 0.00 C ATOM 194 C THR A 13 25.136 8.877 -3.144 1.00 0.00 C ATOM 195 O THR A 13 26.106 8.595 -2.435 1.00 0.00 O ATOM 196 CB THR A 13 22.839 7.977 -2.625 1.00 0.00 C ATOM 197 OG1 THR A 13 21.830 8.200 -3.601 1.00 0.00 O ATOM 198 CG2 THR A 13 22.161 7.663 -1.283 1.00 0.00 C ATOM 0 H THR A 13 23.791 10.841 -3.858 1.00 0.00 H new ATOM 0 HA THR A 13 23.916 9.453 -1.465 1.00 0.00 H new ATOM 0 HB THR A 13 23.460 7.129 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.248 7.414 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 13 21.513 6.794 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.922 7.452 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.567 8.520 -0.966 1.00 0.00 H new ATOM 206 N SER A 14 25.192 8.874 -4.474 1.00 0.00 N ATOM 207 CA SER A 14 26.345 8.297 -5.153 1.00 0.00 C ATOM 208 C SER A 14 27.637 8.989 -4.736 1.00 0.00 C ATOM 209 O SER A 14 28.664 8.326 -4.553 1.00 0.00 O ATOM 210 CB SER A 14 26.172 8.420 -6.667 1.00 0.00 C ATOM 211 OG SER A 14 24.940 7.822 -7.047 1.00 0.00 O ATOM 0 H SER A 14 24.472 9.254 -5.088 1.00 0.00 H new ATOM 0 HA SER A 14 26.409 7.246 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.187 9.469 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.000 7.932 -7.181 1.00 0.00 H new ATOM 0 HG SER A 14 24.824 7.900 -8.017 1.00 0.00 H new ATOM 217 N ILE A 15 27.587 10.312 -4.561 1.00 0.00 N ATOM 218 CA ILE A 15 28.790 11.027 -4.143 1.00 0.00 C ATOM 219 C ILE A 15 29.285 10.538 -2.785 1.00 0.00 C ATOM 220 O ILE A 15 30.494 10.452 -2.555 1.00 0.00 O ATOM 221 CB ILE A 15 28.544 12.539 -4.110 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.348 12.869 -3.211 1.00 0.00 C ATOM 223 CG2 ILE A 15 28.268 13.039 -5.530 1.00 0.00 C ATOM 224 CD1 ILE A 15 27.229 14.388 -3.061 1.00 0.00 C ATOM 0 H ILE A 15 26.758 10.890 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 15 29.567 10.819 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 15 29.430 13.031 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 26.433 12.462 -3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.475 12.405 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 15 28.093 14.115 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 15 29.127 12.824 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 27.387 12.535 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 15 26.379 14.625 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.141 14.782 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.083 14.840 -4.042 1.00 0.00 H new ATOM 236 N LEU A 16 28.355 10.177 -1.897 1.00 0.00 N ATOM 237 CA LEU A 16 28.750 9.643 -0.598 1.00 0.00 C ATOM 238 C LEU A 16 29.544 8.352 -0.751 1.00 0.00 C ATOM 239 O LEU A 16 30.515 8.122 -0.025 1.00 0.00 O ATOM 240 CB LEU A 16 27.505 9.376 0.253 1.00 0.00 C ATOM 241 CG LEU A 16 26.703 10.669 0.425 1.00 0.00 C ATOM 242 CD1 LEU A 16 25.404 10.370 1.176 1.00 0.00 C ATOM 243 CD2 LEU A 16 27.523 11.682 1.229 1.00 0.00 C ATOM 0 H LEU A 16 27.349 10.243 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 16 29.384 10.382 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.886 8.615 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 16 27.797 8.987 1.228 1.00 0.00 H new ATOM 0 HG LEU A 16 26.474 11.081 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 24.834 11.291 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 16 24.814 9.650 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.638 9.956 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 26.949 12.601 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 16 27.753 11.267 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.451 11.900 0.700 1.00 0.00 H new ATOM 255 N LEU A 17 29.154 7.525 -1.723 1.00 0.00 N ATOM 256 CA LEU A 17 29.879 6.282 -1.957 1.00 0.00 C ATOM 257 C LEU A 17 31.327 6.555 -2.339 1.00 0.00 C ATOM 258 O LEU A 17 32.241 5.871 -1.874 1.00 0.00 O ATOM 259 CB LEU A 17 29.192 5.488 -3.075 1.00 0.00 C ATOM 260 CG LEU A 17 29.824 4.093 -3.202 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.783 3.097 -3.724 1.00 0.00 C ATOM 262 CD2 LEU A 17 31.006 4.144 -4.179 1.00 0.00 C ATOM 0 H LEU A 17 28.362 7.689 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 17 29.872 5.703 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.127 5.395 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.283 6.024 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 17 30.175 3.774 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.236 2.110 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.944 3.050 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.427 3.422 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.450 3.152 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 17 30.655 4.471 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 31.754 4.845 -3.809 1.00 0.00 H new ATOM 274 N LEU A 18 31.536 7.592 -3.151 1.00 0.00 N ATOM 275 CA LEU A 18 32.892 7.924 -3.574 1.00 0.00 C ATOM 276 C LEU A 18 33.768 8.299 -2.387 1.00 0.00 C ATOM 277 O LEU A 18 34.936 7.907 -2.320 1.00 0.00 O ATOM 278 CB LEU A 18 32.862 9.079 -4.581 1.00 0.00 C ATOM 279 CG LEU A 18 31.995 8.708 -5.790 1.00 0.00 C ATOM 280 CD1 LEU A 18 31.927 9.894 -6.754 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.601 7.508 -6.525 1.00 0.00 C ATOM 0 H LEU A 18 30.805 8.200 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 18 33.320 7.040 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.468 9.976 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.875 9.311 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 18 30.995 8.453 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.311 9.630 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 31.490 10.753 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.932 10.146 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 31.977 7.253 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.604 7.761 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.653 6.655 -5.848 1.00 0.00 H new ATOM 293 N LEU A 19 33.189 9.023 -1.430 1.00 0.00 N ATOM 294 CA LEU A 19 33.938 9.376 -0.225 1.00 0.00 C ATOM 295 C LEU A 19 34.367 8.131 0.547 1.00 0.00 C ATOM 296 O LEU A 19 35.477 8.070 1.081 1.00 0.00 O ATOM 297 CB LEU A 19 33.095 10.278 0.679 1.00 0.00 C ATOM 298 CG LEU A 19 33.952 10.782 1.843 1.00 0.00 C ATOM 299 CD1 LEU A 19 34.992 11.775 1.321 1.00 0.00 C ATOM 300 CD2 LEU A 19 33.057 11.477 2.870 1.00 0.00 C ATOM 0 H LEU A 19 32.230 9.369 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 19 34.834 9.912 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.707 11.121 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.235 9.727 1.059 1.00 0.00 H new ATOM 0 HG LEU A 19 34.459 9.938 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.602 12.133 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.630 11.282 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.486 12.619 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.666 11.836 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.550 12.320 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.316 10.771 3.244 1.00 0.00 H new ATOM 312 N ALA A 20 33.505 7.116 0.550 1.00 0.00 N ATOM 313 CA ALA A 20 33.833 5.867 1.223 1.00 0.00 C ATOM 314 C ALA A 20 35.039 5.203 0.576 1.00 0.00 C ATOM 315 O ALA A 20 35.940 4.717 1.263 1.00 0.00 O ATOM 316 CB ALA A 20 32.638 4.914 1.159 1.00 0.00 C ATOM 0 H ALA A 20 32.589 7.135 0.101 1.00 0.00 H new ATOM 0 HA ALA A 20 34.072 6.093 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.889 3.981 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.780 5.373 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.392 4.708 0.117 1.00 0.00 H new ATOM 322 N CYS A 21 35.076 5.231 -0.754 1.00 0.00 N ATOM 323 CA CYS A 21 36.146 4.557 -1.469 1.00 0.00 C ATOM 324 C CYS A 21 37.496 5.156 -1.111 1.00 0.00 C ATOM 325 O CYS A 21 38.447 4.419 -0.849 1.00 0.00 O ATOM 326 CB CYS A 21 35.921 4.668 -2.979 1.00 0.00 C ATOM 327 SG CYS A 21 34.455 3.712 -3.442 1.00 0.00 S ATOM 0 H CYS A 21 34.391 5.703 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 21 36.141 3.507 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 21 35.792 5.713 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 21 36.794 4.298 -3.516 1.00 0.00 H new ATOM 0 HG CYS A 21 34.262 3.808 -4.724 1.00 0.00 H new ATOM 333 N ILE A 22 37.567 6.488 -1.067 1.00 0.00 N ATOM 334 CA ILE A 22 38.843 7.130 -0.769 1.00 0.00 C ATOM 335 C ILE A 22 39.338 6.715 0.612 1.00 0.00 C ATOM 336 O ILE A 22 40.507 6.360 0.780 1.00 0.00 O ATOM 337 CB ILE A 22 38.694 8.658 -0.822 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.094 9.106 -2.164 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.063 9.320 -0.635 1.00 0.00 C ATOM 340 CD1 ILE A 22 38.961 8.647 -3.343 1.00 0.00 C ATOM 0 H ILE A 22 36.784 7.122 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 22 39.569 6.813 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 22 38.022 8.962 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.088 8.699 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.001 10.192 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.951 10.404 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.478 9.032 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.735 8.996 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.510 8.980 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.959 9.075 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 22 39.032 7.559 -3.341 1.00 0.00 H new ATOM 352 N PHE A 23 38.419 6.658 1.575 1.00 0.00 N ATOM 353 CA PHE A 23 38.773 6.185 2.912 1.00 0.00 C ATOM 354 C PHE A 23 39.275 4.744 2.901 1.00 0.00 C ATOM 355 O PHE A 23 40.212 4.392 3.621 1.00 0.00 O ATOM 356 CB PHE A 23 37.572 6.302 3.851 1.00 0.00 C ATOM 357 CG PHE A 23 37.347 7.704 4.365 1.00 0.00 C ATOM 358 CD1 PHE A 23 38.249 8.264 5.278 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.237 8.442 3.937 1.00 0.00 C ATOM 360 CE1 PHE A 23 38.042 9.561 5.762 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.030 9.740 4.421 1.00 0.00 C ATOM 362 CZ PHE A 23 36.932 10.300 5.334 1.00 0.00 C ATOM 0 H PHE A 23 37.442 6.928 1.459 1.00 0.00 H new ATOM 0 HA PHE A 23 39.585 6.818 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 23 36.677 5.967 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.716 5.631 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 23 39.105 7.695 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.540 8.010 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 23 38.739 9.992 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.174 10.309 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 23 36.772 11.301 5.708 1.00 0.00 H new ATOM 372 N LEU A 24 38.738 3.939 1.989 1.00 0.00 N ATOM 373 CA LEU A 24 38.985 2.508 2.039 1.00 0.00 C ATOM 374 C LEU A 24 40.376 2.185 1.527 1.00 0.00 C ATOM 375 O LEU A 24 41.209 1.667 2.274 1.00 0.00 O ATOM 376 CB LEU A 24 37.936 1.780 1.193 1.00 0.00 C ATOM 377 CG LEU A 24 38.102 0.267 1.344 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.729 -0.152 2.767 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.181 -0.443 0.349 1.00 0.00 C ATOM 0 H LEU A 24 38.141 4.248 1.222 1.00 0.00 H new ATOM 0 HA LEU A 24 38.915 2.176 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.935 2.077 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.041 2.063 0.146 1.00 0.00 H new ATOM 0 HG LEU A 24 39.139 -0.006 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.848 -1.230 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.380 0.356 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.692 0.120 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.296 -1.522 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.146 -0.167 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.444 -0.146 -0.666 1.00 0.00 H new ATOM 391 N ILE A 25 40.629 2.501 0.260 1.00 0.00 N ATOM 392 CA ILE A 25 41.926 2.181 -0.320 1.00 0.00 C ATOM 393 C ILE A 25 43.050 2.873 0.457 1.00 0.00 C ATOM 394 O ILE A 25 44.130 2.297 0.594 1.00 0.00 O ATOM 395 CB ILE A 25 41.960 2.563 -1.814 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.883 1.765 -2.580 1.00 0.00 C ATOM 397 CG2 ILE A 25 43.341 2.248 -2.414 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.576 2.558 -2.647 1.00 0.00 C ATOM 0 H ILE A 25 39.973 2.965 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 25 42.084 1.105 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 25 41.764 3.631 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 25 41.234 1.544 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.710 0.809 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 25 43.351 2.523 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 25 44.106 2.816 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 25 43.546 1.182 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.828 1.981 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.218 2.756 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.750 3.503 -3.162 1.00 0.00 H new ATOM 410 N LYS A 26 42.799 4.076 0.989 1.00 0.00 N ATOM 411 CA LYS A 26 43.855 4.783 1.708 1.00 0.00 C ATOM 412 C LYS A 26 44.345 3.978 2.908 1.00 0.00 C ATOM 413 O LYS A 26 45.548 3.914 3.170 1.00 0.00 O ATOM 414 CB LYS A 26 43.330 6.141 2.185 1.00 0.00 C ATOM 415 CG LYS A 26 44.468 6.950 2.812 1.00 0.00 C ATOM 416 CD LYS A 26 43.911 8.258 3.375 1.00 0.00 C ATOM 417 CE LYS A 26 45.063 9.136 3.867 1.00 0.00 C ATOM 418 NZ LYS A 26 44.517 10.401 4.433 1.00 0.00 N ATOM 0 H LYS A 26 41.904 4.563 0.937 1.00 0.00 H new ATOM 0 HA LYS A 26 44.694 4.924 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.902 6.690 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.531 5.996 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 26 44.945 6.374 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.234 7.160 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.342 8.783 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.223 8.049 4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 26 45.641 8.606 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 26 45.743 9.357 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 45.300 10.998 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.984 10.909 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 43.885 10.181 5.229 1.00 0.00 H new ATOM 432 N ILE A 27 43.423 3.288 3.579 1.00 0.00 N ATOM 433 CA ILE A 27 43.803 2.452 4.714 1.00 0.00 C ATOM 434 C ILE A 27 44.543 1.198 4.256 1.00 0.00 C ATOM 435 O ILE A 27 45.667 0.934 4.684 1.00 0.00 O ATOM 436 CB ILE A 27 42.556 2.088 5.534 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.895 3.373 6.038 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.940 1.235 6.749 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.493 3.058 6.563 1.00 0.00 C ATOM 0 H ILE A 27 42.427 3.291 3.361 1.00 0.00 H new ATOM 0 HA ILE A 27 44.487 3.018 5.347 1.00 0.00 H new ATOM 0 HB ILE A 27 41.874 1.525 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.499 3.818 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.836 4.104 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.044 0.987 7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.421 0.317 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.629 1.794 7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.024 3.974 6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.891 2.632 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.563 2.342 7.382 1.00 0.00 H new ATOM 451 N LEU A 28 43.916 0.452 3.352 1.00 0.00 N ATOM 452 CA LEU A 28 44.461 -0.835 2.933 1.00 0.00 C ATOM 453 C LEU A 28 45.861 -0.707 2.337 1.00 0.00 C ATOM 454 O LEU A 28 46.660 -1.641 2.425 1.00 0.00 O ATOM 455 CB LEU A 28 43.534 -1.485 1.903 1.00 0.00 C ATOM 456 CG LEU A 28 42.344 -2.137 2.613 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.256 -1.094 2.882 1.00 0.00 C ATOM 458 CD2 LEU A 28 41.768 -3.244 1.728 1.00 0.00 C ATOM 0 H LEU A 28 43.040 0.712 2.900 1.00 0.00 H new ATOM 0 HA LEU A 28 44.533 -1.457 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.180 -0.736 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.081 -2.233 1.329 1.00 0.00 H new ATOM 0 HG LEU A 28 42.683 -2.556 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.414 -1.568 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.659 -0.302 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 40.919 -0.668 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.921 -3.709 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 41.437 -2.818 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.535 -3.995 1.539 1.00 0.00 H new ATOM 470 N ALA A 29 46.156 0.440 1.732 1.00 0.00 N ATOM 471 CA ALA A 29 47.452 0.635 1.094 1.00 0.00 C ATOM 472 C ALA A 29 48.529 1.048 2.091 1.00 0.00 C ATOM 473 O ALA A 29 49.593 0.427 2.149 1.00 0.00 O ATOM 474 CB ALA A 29 47.333 1.702 0.006 1.00 0.00 C ATOM 0 H ALA A 29 45.524 1.238 1.671 1.00 0.00 H new ATOM 0 HA ALA A 29 47.750 -0.319 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.303 1.846 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 29 46.607 1.381 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.004 2.641 0.452 1.00 0.00 H new ATOM 480 N ALA A 30 48.256 2.089 2.880 1.00 0.00 N ATOM 481 CA ALA A 30 49.282 2.625 3.766 1.00 0.00 C ATOM 482 C ALA A 30 49.741 1.584 4.778 1.00 0.00 C ATOM 483 O ALA A 30 50.938 1.446 5.032 1.00 0.00 O ATOM 484 CB ALA A 30 48.738 3.847 4.508 1.00 0.00 C ATOM 0 H ALA A 30 47.355 2.566 2.922 1.00 0.00 H new ATOM 0 HA ALA A 30 50.138 2.910 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 30 49.508 4.244 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.449 4.612 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.868 3.557 5.098 1.00 0.00 H new ATOM 490 N SER A 31 48.793 0.822 5.322 1.00 0.00 N ATOM 491 CA SER A 31 49.140 -0.190 6.314 1.00 0.00 C ATOM 492 C SER A 31 50.072 -1.247 5.728 1.00 0.00 C ATOM 493 O SER A 31 51.033 -1.672 6.375 1.00 0.00 O ATOM 494 CB SER A 31 47.872 -0.865 6.838 1.00 0.00 C ATOM 495 OG SER A 31 46.971 0.129 7.309 1.00 0.00 O ATOM 0 H SER A 31 47.800 0.884 5.098 1.00 0.00 H new ATOM 0 HA SER A 31 49.658 0.310 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.404 -1.451 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.121 -1.557 7.642 1.00 0.00 H new ATOM 0 HG SER A 31 46.453 0.484 6.557 1.00 0.00 H new ATOM 501 N ALA A 32 49.838 -1.609 4.467 1.00 0.00 N ATOM 502 CA ALA A 32 50.598 -2.695 3.864 1.00 0.00 C ATOM 503 C ALA A 32 52.058 -2.303 3.688 1.00 0.00 C ATOM 504 O ALA A 32 52.961 -3.023 4.122 1.00 0.00 O ATOM 505 CB ALA A 32 49.992 -3.062 2.507 1.00 0.00 C ATOM 0 H ALA A 32 49.144 -1.176 3.858 1.00 0.00 H new ATOM 0 HA ALA A 32 50.551 -3.558 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 32 50.565 -3.875 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 32 48.958 -3.379 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 32 50.021 -2.194 1.849 1.00 0.00 H new ATOM 511 N LEU A 33 52.284 -1.154 3.052 1.00 0.00 N ATOM 512 CA LEU A 33 53.650 -0.697 2.833 1.00 0.00 C ATOM 513 C LEU A 33 54.379 -0.490 4.157 1.00 0.00 C ATOM 514 O LEU A 33 55.546 -0.861 4.292 1.00 0.00 O ATOM 515 CB LEU A 33 53.615 0.619 2.051 1.00 0.00 C ATOM 516 CG LEU A 33 55.013 0.952 1.512 1.00 0.00 C ATOM 517 CD1 LEU A 33 54.884 1.796 0.239 1.00 0.00 C ATOM 518 CD2 LEU A 33 55.802 1.738 2.566 1.00 0.00 C ATOM 0 H LEU A 33 51.557 -0.538 2.688 1.00 0.00 H new ATOM 0 HA LEU A 33 54.188 -1.457 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.908 0.541 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 53.264 1.425 2.696 1.00 0.00 H new ATOM 0 HG LEU A 33 55.539 0.025 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 33 55.877 2.032 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 33 54.329 1.236 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.354 2.721 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.794 1.972 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.276 2.664 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.898 1.138 3.471 1.00 0.00 H new ATOM 530 N TRP A 34 53.664 0.023 5.159 1.00 0.00 N ATOM 531 CA TRP A 34 54.271 0.240 6.470 1.00 0.00 C ATOM 532 C TRP A 34 54.787 -1.056 7.089 1.00 0.00 C ATOM 533 O TRP A 34 55.807 -1.055 7.777 1.00 0.00 O ATOM 534 CB TRP A 34 53.277 0.904 7.423 1.00 0.00 C ATOM 535 CG TRP A 34 53.956 1.651 8.528 1.00 0.00 C ATOM 536 CD1 TRP A 34 54.607 2.826 8.376 1.00 0.00 C ATOM 537 CD2 TRP A 34 54.076 1.295 9.937 1.00 0.00 C ATOM 538 NE1 TRP A 34 55.119 3.217 9.599 1.00 0.00 N ATOM 539 CE2 TRP A 34 54.818 2.308 10.594 1.00 0.00 C ATOM 540 CE3 TRP A 34 53.619 0.208 10.702 1.00 0.00 C ATOM 541 CZ2 TRP A 34 55.095 2.241 11.962 1.00 0.00 C ATOM 542 CZ3 TRP A 34 53.895 0.138 12.075 1.00 0.00 C ATOM 543 CH2 TRP A 34 54.631 1.151 12.705 1.00 0.00 C ATOM 0 H TRP A 34 52.682 0.291 5.090 1.00 0.00 H new ATOM 0 HA TRP A 34 55.124 0.901 6.316 1.00 0.00 H new ATOM 0 HB2 TRP A 34 52.642 1.590 6.861 1.00 0.00 H new ATOM 0 HB3 TRP A 34 52.624 0.143 7.850 1.00 0.00 H new ATOM 0 HD1 TRP A 34 54.710 3.371 7.449 1.00 0.00 H new ATOM 0 HE1 TRP A 34 55.654 4.073 9.748 1.00 0.00 H new ATOM 0 HE3 TRP A 34 53.051 -0.579 10.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 55.663 3.025 12.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 53.538 -0.703 12.651 1.00 0.00 H new ATOM 0 HH2 TRP A 34 54.839 1.090 13.763 1.00 0.00 H new ATOM 554 N ALA A 35 54.143 -2.173 6.762 1.00 0.00 N ATOM 555 CA ALA A 35 54.511 -3.446 7.361 1.00 0.00 C ATOM 556 C ALA A 35 55.798 -3.976 6.753 1.00 0.00 C ATOM 557 O ALA A 35 56.809 -4.121 7.443 1.00 0.00 O ATOM 558 CB ALA A 35 53.387 -4.462 7.152 1.00 0.00 C ATOM 0 H ALA A 35 53.374 -2.220 6.094 1.00 0.00 H new ATOM 0 HA ALA A 35 54.669 -3.291 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 53.668 -5.414 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 35 52.473 -4.095 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 35 53.217 -4.602 6.084 1.00 0.00 H new ATOM 564 N ALA A 36 55.772 -4.216 5.446 1.00 0.00 N ATOM 565 CA ALA A 36 56.907 -4.865 4.801 1.00 0.00 C ATOM 566 C ALA A 36 58.188 -4.063 5.012 1.00 0.00 C ATOM 567 O ALA A 36 59.256 -4.642 5.214 1.00 0.00 O ATOM 568 CB ALA A 36 56.637 -5.012 3.302 1.00 0.00 C ATOM 0 H ALA A 36 54.998 -3.978 4.826 1.00 0.00 H new ATOM 0 HA ALA A 36 57.037 -5.850 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 36 57.488 -5.498 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 36 55.743 -5.617 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 56.487 -4.027 2.861 1.00 0.00 H new ATOM 574 N ALA A 37 58.076 -2.735 4.997 1.00 0.00 N ATOM 575 CA ALA A 37 59.237 -1.887 5.254 1.00 0.00 C ATOM 576 C ALA A 37 59.732 -2.006 6.694 1.00 0.00 C ATOM 577 O ALA A 37 60.942 -2.101 6.928 1.00 0.00 O ATOM 578 CB ALA A 37 58.891 -0.427 4.957 1.00 0.00 C ATOM 0 H ALA A 37 57.209 -2.231 4.813 1.00 0.00 H new ATOM 0 HA ALA A 37 60.037 -2.227 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 37 59.761 0.200 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 37 58.598 -0.328 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 37 58.067 -0.111 5.596 1.00 0.00 H new ATOM 584 N TRP A 38 58.790 -1.971 7.641 1.00 0.00 N ATOM 585 CA TRP A 38 59.125 -2.019 9.062 1.00 0.00 C ATOM 586 C TRP A 38 59.908 -3.272 9.441 1.00 0.00 C ATOM 587 O TRP A 38 60.687 -3.242 10.395 1.00 0.00 O ATOM 588 CB TRP A 38 57.847 -1.939 9.898 1.00 0.00 C ATOM 589 CG TRP A 38 58.104 -1.770 11.361 1.00 0.00 C ATOM 590 CD1 TRP A 38 57.835 -2.694 12.311 1.00 0.00 C ATOM 591 CD2 TRP A 38 58.675 -0.622 12.054 1.00 0.00 C ATOM 592 NE1 TRP A 38 58.206 -2.189 13.544 1.00 0.00 N ATOM 593 CE2 TRP A 38 58.729 -0.915 13.439 1.00 0.00 C ATOM 594 CE3 TRP A 38 59.146 0.629 11.622 1.00 0.00 C ATOM 595 CZ2 TRP A 38 59.236 0.005 14.361 1.00 0.00 C ATOM 596 CZ3 TRP A 38 59.655 1.555 12.545 1.00 0.00 C ATOM 597 CH2 TRP A 38 59.700 1.245 13.911 1.00 0.00 C ATOM 0 H TRP A 38 57.791 -1.910 7.447 1.00 0.00 H new ATOM 0 HA TRP A 38 59.767 -1.163 9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 38 57.242 -1.104 9.544 1.00 0.00 H new ATOM 0 HB3 TRP A 38 57.262 -2.845 9.742 1.00 0.00 H new ATOM 0 HD1 TRP A 38 57.401 -3.667 12.136 1.00 0.00 H new ATOM 0 HE1 TRP A 38 58.106 -2.696 14.424 1.00 0.00 H new ATOM 0 HE3 TRP A 38 59.116 0.880 10.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 59.269 -0.240 15.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 60.015 2.513 12.200 1.00 0.00 H new ATOM 0 HH2 TRP A 38 60.093 1.963 14.616 1.00 0.00 H new