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 -71:sc= 0.213 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 64:sc= 0.202 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 4.697 2.783 -8.739 1.00 0.00 N ATOM 37 CA LEU A 3 5.698 2.610 -7.677 1.00 0.00 C ATOM 38 C LEU A 3 6.597 3.844 -7.506 1.00 0.00 C ATOM 39 O LEU A 3 7.826 3.756 -7.542 1.00 0.00 O ATOM 40 CB LEU A 3 6.551 1.369 -7.972 1.00 0.00 C ATOM 41 CG LEU A 3 5.662 0.131 -8.133 1.00 0.00 C ATOM 42 CD1 LEU A 3 6.534 -1.073 -8.495 1.00 0.00 C ATOM 43 CD2 LEU A 3 4.932 -0.158 -6.819 1.00 0.00 C ATOM 0 HA LEU A 3 5.160 2.479 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.132 1.527 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.263 1.209 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 3 4.932 0.313 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.905 -1.956 -8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.057 -0.875 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.262 -1.247 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.302 -1.039 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.662 -0.339 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.312 0.698 -6.551 1.00 0.00 H new ATOM 55 N LEU A 4 5.968 5.003 -7.339 1.00 0.00 N ATOM 56 CA LEU A 4 6.714 6.242 -7.116 1.00 0.00 C ATOM 57 C LEU A 4 7.619 6.147 -5.884 1.00 0.00 C ATOM 58 O LEU A 4 8.642 6.828 -5.808 1.00 0.00 O ATOM 59 CB LEU A 4 5.728 7.405 -6.956 1.00 0.00 C ATOM 60 CG LEU A 4 6.458 8.758 -7.088 1.00 0.00 C ATOM 61 CD1 LEU A 4 5.548 9.783 -7.776 1.00 0.00 C ATOM 62 CD2 LEU A 4 6.843 9.297 -5.704 1.00 0.00 C ATOM 0 H LEU A 4 4.954 5.113 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 4 7.356 6.413 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.946 7.332 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.239 7.343 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 4 7.358 8.600 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.073 10.734 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.280 9.423 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.643 9.921 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.357 10.252 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.943 9.437 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.503 8.586 -5.207 1.00 0.00 H new ATOM 74 N GLU A 5 7.247 5.305 -4.919 1.00 0.00 N ATOM 75 CA GLU A 5 8.032 5.152 -3.693 1.00 0.00 C ATOM 76 C GLU A 5 9.156 4.113 -3.826 1.00 0.00 C ATOM 77 O GLU A 5 10.064 4.078 -2.996 1.00 0.00 O ATOM 78 CB GLU A 5 7.107 4.741 -2.546 1.00 0.00 C ATOM 79 CG GLU A 5 6.074 5.847 -2.299 1.00 0.00 C ATOM 80 CD GLU A 5 5.174 5.527 -1.100 1.00 0.00 C ATOM 81 OE1 GLU A 5 5.213 4.411 -0.604 1.00 0.00 O ATOM 82 OE2 GLU A 5 4.447 6.418 -0.691 1.00 0.00 O ATOM 0 H GLU A 5 6.412 4.721 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 5 8.501 6.115 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.603 3.806 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.689 4.564 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.588 6.792 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.460 5.977 -3.190 1.00 0.00 H new ATOM 89 N GLY A 6 9.102 3.273 -4.858 1.00 0.00 N ATOM 90 CA GLY A 6 10.098 2.220 -5.041 1.00 0.00 C ATOM 91 C GLY A 6 11.252 2.628 -5.967 1.00 0.00 C ATOM 92 O GLY A 6 12.047 1.775 -6.363 1.00 0.00 O ATOM 0 H GLY A 6 8.381 3.301 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.503 1.940 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.610 1.335 -5.449 1.00 0.00 H new ATOM 96 N GLU A 7 11.354 3.913 -6.313 1.00 0.00 N ATOM 97 CA GLU A 7 12.378 4.360 -7.252 1.00 0.00 C ATOM 98 C GLU A 7 13.682 4.679 -6.529 1.00 0.00 C ATOM 99 O GLU A 7 13.685 5.073 -5.362 1.00 0.00 O ATOM 100 CB GLU A 7 11.893 5.602 -8.002 1.00 0.00 C ATOM 101 CG GLU A 7 10.642 5.253 -8.816 1.00 0.00 C ATOM 102 CD GLU A 7 10.942 4.188 -9.875 1.00 0.00 C ATOM 103 OE1 GLU A 7 12.102 3.983 -10.198 1.00 0.00 O ATOM 104 OE2 GLU A 7 9.994 3.588 -10.353 1.00 0.00 O ATOM 0 H GLU A 7 10.747 4.653 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 7 12.563 3.553 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.669 6.402 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.678 5.971 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.860 4.893 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.259 6.151 -9.300 1.00 0.00 H new ATOM 111 N ILE A 8 14.790 4.501 -7.242 1.00 0.00 N ATOM 112 CA ILE A 8 16.119 4.706 -6.675 1.00 0.00 C ATOM 113 C ILE A 8 16.461 6.202 -6.641 1.00 0.00 C ATOM 114 O ILE A 8 16.084 6.925 -7.565 1.00 0.00 O ATOM 115 CB ILE A 8 17.171 3.962 -7.510 1.00 0.00 C ATOM 116 CG1 ILE A 8 16.808 2.478 -7.610 1.00 0.00 C ATOM 117 CG2 ILE A 8 18.546 4.091 -6.847 1.00 0.00 C ATOM 118 CD1 ILE A 8 17.745 1.790 -8.605 1.00 0.00 C ATOM 0 H ILE A 8 14.793 4.213 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 8 16.122 4.315 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 8 17.198 4.400 -8.508 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.890 2.006 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.773 2.367 -7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 8 19.289 3.561 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 18.820 5.144 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 8 18.509 3.660 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.487 0.733 -8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 8 17.641 2.256 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.775 1.890 -8.263 1.00 0.00 H new ATOM 130 N PRO A 9 17.145 6.694 -5.624 1.00 0.00 N ATOM 131 CA PRO A 9 17.591 8.122 -5.609 1.00 0.00 C ATOM 132 C PRO A 9 18.616 8.375 -6.713 1.00 0.00 C ATOM 133 O PRO A 9 19.376 7.478 -7.077 1.00 0.00 O ATOM 134 CB PRO A 9 18.206 8.339 -4.218 1.00 0.00 C ATOM 135 CG PRO A 9 17.831 7.146 -3.406 1.00 0.00 C ATOM 136 CD PRO A 9 17.572 6.008 -4.391 1.00 0.00 C ATOM 0 HA PRO A 9 16.767 8.812 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.289 8.441 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.827 9.254 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.630 6.883 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.943 7.349 -2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.469 5.411 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.801 5.330 -4.024 1.00 0.00 H new ATOM 144 N PHE A 10 18.636 9.594 -7.245 1.00 0.00 N ATOM 145 CA PHE A 10 19.416 9.873 -8.447 1.00 0.00 C ATOM 146 C PHE A 10 20.886 9.471 -8.259 1.00 0.00 C ATOM 147 O PHE A 10 21.418 9.619 -7.159 1.00 0.00 O ATOM 148 CB PHE A 10 19.333 11.362 -8.784 1.00 0.00 C ATOM 149 CG PHE A 10 17.916 11.866 -8.917 1.00 0.00 C ATOM 150 CD1 PHE A 10 17.181 11.592 -10.077 1.00 0.00 C ATOM 151 CD2 PHE A 10 17.335 12.605 -7.879 1.00 0.00 C ATOM 152 CE1 PHE A 10 15.866 12.057 -10.200 1.00 0.00 C ATOM 153 CE2 PHE A 10 16.021 13.071 -8.001 1.00 0.00 C ATOM 154 CZ PHE A 10 15.285 12.797 -9.162 1.00 0.00 C ATOM 0 H PHE A 10 18.128 10.395 -6.869 1.00 0.00 H new ATOM 0 HA PHE A 10 19.000 9.285 -9.265 1.00 0.00 H new ATOM 0 HB2 PHE A 10 19.843 11.932 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 10 19.866 11.547 -9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 10 17.629 11.022 -10.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 17.901 12.815 -6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.300 11.845 -11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.574 13.642 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.271 13.156 -9.256 1.00 0.00 H new ATOM 164 N PRO A 11 21.555 8.973 -9.283 1.00 0.00 N ATOM 165 CA PRO A 11 22.967 8.489 -9.130 1.00 0.00 C ATOM 166 C PRO A 11 24.013 9.487 -8.590 1.00 0.00 C ATOM 167 O PRO A 11 24.986 9.013 -7.998 1.00 0.00 O ATOM 168 CB PRO A 11 23.379 8.038 -10.538 1.00 0.00 C ATOM 169 CG PRO A 11 22.115 7.862 -11.302 1.00 0.00 C ATOM 170 CD PRO A 11 21.100 8.815 -10.681 1.00 0.00 C ATOM 0 HA PRO A 11 22.961 7.715 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 11 24.021 8.780 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 11 23.944 7.106 -10.499 1.00 0.00 H new ATOM 0 HG2 PRO A 11 22.265 8.088 -12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 11 21.766 6.831 -11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 11 21.081 9.771 -11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.091 8.406 -10.727 1.00 0.00 H new ATOM 178 N PRO A 12 23.915 10.797 -8.788 1.00 0.00 N ATOM 179 CA PRO A 12 25.008 11.719 -8.328 1.00 0.00 C ATOM 180 C PRO A 12 25.308 11.643 -6.831 1.00 0.00 C ATOM 181 O PRO A 12 26.447 11.874 -6.426 1.00 0.00 O ATOM 182 CB PRO A 12 24.510 13.120 -8.694 1.00 0.00 C ATOM 183 CG PRO A 12 23.526 12.912 -9.790 1.00 0.00 C ATOM 184 CD PRO A 12 22.880 11.556 -9.520 1.00 0.00 C ATOM 0 HA PRO A 12 25.949 11.443 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.047 13.609 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.332 13.757 -9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.779 13.706 -9.800 1.00 0.00 H new ATOM 0 HG3 PRO A 12 24.017 12.924 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.970 11.660 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.602 11.056 -10.448 1.00 0.00 H new ATOM 192 N THR A 13 24.298 11.381 -6.000 1.00 0.00 N ATOM 193 CA THR A 13 24.548 11.192 -4.571 1.00 0.00 C ATOM 194 C THR A 13 25.438 9.975 -4.303 1.00 0.00 C ATOM 195 O THR A 13 26.285 9.981 -3.402 1.00 0.00 O ATOM 196 CB THR A 13 23.220 11.023 -3.827 1.00 0.00 C ATOM 197 OG1 THR A 13 22.558 9.861 -4.303 1.00 0.00 O ATOM 198 CG2 THR A 13 22.338 12.250 -4.064 1.00 0.00 C ATOM 0 H THR A 13 23.322 11.296 -6.283 1.00 0.00 H new ATOM 0 HA THR A 13 25.070 12.078 -4.210 1.00 0.00 H new ATOM 0 HB THR A 13 23.412 10.920 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.236 10.019 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 13 21.394 12.127 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.847 13.141 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.143 12.358 -5.131 1.00 0.00 H new ATOM 206 N SER A 14 25.262 8.934 -5.114 1.00 0.00 N ATOM 207 CA SER A 14 25.953 7.677 -4.865 1.00 0.00 C ATOM 208 C SER A 14 27.465 7.838 -4.934 1.00 0.00 C ATOM 209 O SER A 14 28.188 7.270 -4.113 1.00 0.00 O ATOM 210 CB SER A 14 25.508 6.631 -5.888 1.00 0.00 C ATOM 211 OG SER A 14 26.036 5.364 -5.518 1.00 0.00 O ATOM 0 H SER A 14 24.657 8.937 -5.935 1.00 0.00 H new ATOM 0 HA SER A 14 25.694 7.352 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.420 6.587 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 14 25.856 6.907 -6.884 1.00 0.00 H new ATOM 0 HG SER A 14 25.753 4.689 -6.169 1.00 0.00 H new ATOM 217 N ILE A 15 27.942 8.623 -5.902 1.00 0.00 N ATOM 218 CA ILE A 15 29.388 8.770 -6.063 1.00 0.00 C ATOM 219 C ILE A 15 30.029 9.359 -4.811 1.00 0.00 C ATOM 220 O ILE A 15 31.161 9.006 -4.473 1.00 0.00 O ATOM 221 CB ILE A 15 29.748 9.619 -7.287 1.00 0.00 C ATOM 222 CG1 ILE A 15 28.972 10.938 -7.278 1.00 0.00 C ATOM 223 CG2 ILE A 15 29.412 8.841 -8.561 1.00 0.00 C ATOM 224 CD1 ILE A 15 29.733 11.988 -8.090 1.00 0.00 C ATOM 0 H ILE A 15 27.372 9.149 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 15 29.786 7.768 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 15 30.815 9.841 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.978 10.789 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.836 11.284 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 15 29.667 9.443 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 15 29.983 7.913 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.346 8.612 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 15 29.178 12.926 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 30.718 12.145 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 15 29.846 11.642 -9.117 1.00 0.00 H new ATOM 236 N LEU A 16 29.309 10.235 -4.104 1.00 0.00 N ATOM 237 CA LEU A 16 29.835 10.755 -2.845 1.00 0.00 C ATOM 238 C LEU A 16 30.057 9.624 -1.845 1.00 0.00 C ATOM 239 O LEU A 16 31.064 9.600 -1.127 1.00 0.00 O ATOM 240 CB LEU A 16 28.861 11.778 -2.253 1.00 0.00 C ATOM 241 CG LEU A 16 28.634 12.918 -3.249 1.00 0.00 C ATOM 242 CD1 LEU A 16 27.578 13.875 -2.693 1.00 0.00 C ATOM 243 CD2 LEU A 16 29.941 13.685 -3.468 1.00 0.00 C ATOM 0 H LEU A 16 28.390 10.588 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 16 30.791 11.238 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.913 11.296 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 16 29.259 12.174 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 16 28.295 12.502 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.415 14.688 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 16 26.644 13.336 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 27.922 14.285 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 16 29.773 14.495 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 30.283 14.099 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 16 30.698 13.008 -3.863 1.00 0.00 H new ATOM 255 N LEU A 17 29.144 8.650 -1.838 1.00 0.00 N ATOM 256 CA LEU A 17 29.339 7.472 -0.999 1.00 0.00 C ATOM 257 C LEU A 17 30.608 6.720 -1.392 1.00 0.00 C ATOM 258 O LEU A 17 31.325 6.197 -0.534 1.00 0.00 O ATOM 259 CB LEU A 17 28.131 6.540 -1.114 1.00 0.00 C ATOM 260 CG LEU A 17 28.265 5.399 -0.102 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.060 5.944 1.312 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.206 4.334 -0.392 1.00 0.00 C ATOM 0 H LEU A 17 28.285 8.653 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 17 29.443 7.807 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.211 7.096 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.064 6.137 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 17 29.259 4.958 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.155 5.132 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.812 6.705 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.066 6.385 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.301 3.521 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.213 4.777 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.348 3.944 -1.400 1.00 0.00 H new ATOM 274 N LEU A 18 30.901 6.689 -2.693 1.00 0.00 N ATOM 275 CA LEU A 18 32.130 6.049 -3.152 1.00 0.00 C ATOM 276 C LEU A 18 33.358 6.731 -2.559 1.00 0.00 C ATOM 277 O LEU A 18 34.330 6.066 -2.211 1.00 0.00 O ATOM 278 CB LEU A 18 32.211 6.082 -4.680 1.00 0.00 C ATOM 279 CG LEU A 18 33.412 5.259 -5.151 1.00 0.00 C ATOM 280 CD1 LEU A 18 33.138 3.772 -4.919 1.00 0.00 C ATOM 281 CD2 LEU A 18 33.644 5.505 -6.643 1.00 0.00 C ATOM 0 H LEU A 18 30.320 7.089 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 18 32.111 5.013 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.293 5.683 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.305 7.111 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 18 34.297 5.557 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.994 3.187 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.972 3.594 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.252 3.473 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.499 4.919 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.757 5.207 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.841 6.564 -6.811 1.00 0.00 H new ATOM 293 N LEU A 19 33.293 8.055 -2.403 1.00 0.00 N ATOM 294 CA LEU A 19 34.415 8.784 -1.819 1.00 0.00 C ATOM 295 C LEU A 19 34.716 8.300 -0.404 1.00 0.00 C ATOM 296 O LEU A 19 35.879 8.195 -0.006 1.00 0.00 O ATOM 297 CB LEU A 19 34.099 10.282 -1.795 1.00 0.00 C ATOM 298 CG LEU A 19 35.332 11.062 -1.336 1.00 0.00 C ATOM 299 CD1 LEU A 19 36.411 10.993 -2.418 1.00 0.00 C ATOM 300 CD2 LEU A 19 34.947 12.523 -1.093 1.00 0.00 C ATOM 0 H LEU A 19 32.494 8.631 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 19 35.296 8.601 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.795 10.615 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.263 10.476 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 19 35.715 10.627 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.290 11.549 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.684 9.952 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.029 11.429 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.824 13.081 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.565 12.957 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.177 12.573 -0.323 1.00 0.00 H new ATOM 312 N ALA A 20 33.666 7.944 0.335 1.00 0.00 N ATOM 313 CA ALA A 20 33.863 7.368 1.664 1.00 0.00 C ATOM 314 C ALA A 20 34.624 6.048 1.567 1.00 0.00 C ATOM 315 O ALA A 20 35.522 5.769 2.367 1.00 0.00 O ATOM 316 CB ALA A 20 32.514 7.144 2.350 1.00 0.00 C ATOM 0 H ALA A 20 32.693 8.041 0.045 1.00 0.00 H new ATOM 0 HA ALA A 20 34.450 8.068 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.675 6.715 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.993 8.097 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.911 6.461 1.752 1.00 0.00 H new ATOM 322 N CYS A 21 34.290 5.252 0.552 1.00 0.00 N ATOM 323 CA CYS A 21 34.984 3.987 0.349 1.00 0.00 C ATOM 324 C CYS A 21 36.471 4.219 0.103 1.00 0.00 C ATOM 325 O CYS A 21 37.314 3.471 0.602 1.00 0.00 O ATOM 326 CB CYS A 21 34.379 3.239 -0.840 1.00 0.00 C ATOM 327 SG CYS A 21 32.607 2.991 -0.558 1.00 0.00 S ATOM 0 H CYS A 21 33.558 5.457 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 21 34.867 3.387 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.536 3.805 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.876 2.277 -0.969 1.00 0.00 H new ATOM 0 HG CYS A 21 32.010 4.145 -0.505 1.00 0.00 H new ATOM 333 N ILE A 22 36.795 5.272 -0.650 1.00 0.00 N ATOM 334 CA ILE A 22 38.198 5.585 -0.907 1.00 0.00 C ATOM 335 C ILE A 22 38.943 5.850 0.399 1.00 0.00 C ATOM 336 O ILE A 22 40.116 5.491 0.526 1.00 0.00 O ATOM 337 CB ILE A 22 38.315 6.806 -1.832 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.530 6.582 -3.135 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.785 7.069 -2.174 1.00 0.00 C ATOM 340 CD1 ILE A 22 38.012 5.327 -3.874 1.00 0.00 C ATOM 0 H ILE A 22 36.123 5.907 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 22 38.651 4.724 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 22 37.898 7.666 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.468 6.487 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 22 37.642 7.452 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.856 7.937 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.343 7.260 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.203 6.198 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 22 37.435 5.200 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.068 5.434 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 22 37.876 4.454 -3.236 1.00 0.00 H new ATOM 352 N PHE A 23 38.264 6.454 1.377 1.00 0.00 N ATOM 353 CA PHE A 23 38.894 6.659 2.678 1.00 0.00 C ATOM 354 C PHE A 23 39.292 5.324 3.300 1.00 0.00 C ATOM 355 O PHE A 23 40.368 5.195 3.893 1.00 0.00 O ATOM 356 CB PHE A 23 37.933 7.392 3.614 1.00 0.00 C ATOM 357 CG PHE A 23 38.538 7.721 4.959 1.00 0.00 C ATOM 358 CD1 PHE A 23 39.284 8.894 5.125 1.00 0.00 C ATOM 359 CD2 PHE A 23 38.352 6.851 6.040 1.00 0.00 C ATOM 360 CE1 PHE A 23 39.844 9.196 6.372 1.00 0.00 C ATOM 361 CE2 PHE A 23 38.912 7.153 7.287 1.00 0.00 C ATOM 362 CZ PHE A 23 39.658 8.327 7.454 1.00 0.00 C ATOM 0 H PHE A 23 37.308 6.799 1.297 1.00 0.00 H new ATOM 0 HA PHE A 23 39.791 7.261 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.605 8.315 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.045 6.778 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 23 39.427 9.566 4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 23 37.776 5.946 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 23 40.420 10.100 6.500 1.00 0.00 H new ATOM 0 HE2 PHE A 23 38.769 6.481 8.120 1.00 0.00 H new ATOM 0 HZ PHE A 23 40.089 8.561 8.416 1.00 0.00 H new ATOM 372 N LEU A 24 38.446 4.308 3.114 1.00 0.00 N ATOM 373 CA LEU A 24 38.801 2.970 3.576 1.00 0.00 C ATOM 374 C LEU A 24 40.063 2.467 2.878 1.00 0.00 C ATOM 375 O LEU A 24 40.911 1.816 3.494 1.00 0.00 O ATOM 376 CB LEU A 24 37.647 1.999 3.313 1.00 0.00 C ATOM 377 CG LEU A 24 37.963 0.642 3.946 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.899 0.761 5.470 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.936 -0.390 3.475 1.00 0.00 C ATOM 0 H LEU A 24 37.536 4.384 2.660 1.00 0.00 H new ATOM 0 HA LEU A 24 38.995 3.023 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.721 2.398 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.493 1.884 2.240 1.00 0.00 H new ATOM 0 HG LEU A 24 38.963 0.327 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.124 -0.206 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.628 1.497 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.899 1.076 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.160 -1.357 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.937 -0.072 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.979 -0.476 2.389 1.00 0.00 H new ATOM 391 N ILE A 25 40.202 2.800 1.594 1.00 0.00 N ATOM 392 CA ILE A 25 41.398 2.406 0.856 1.00 0.00 C ATOM 393 C ILE A 25 42.651 3.018 1.481 1.00 0.00 C ATOM 394 O ILE A 25 43.710 2.390 1.496 1.00 0.00 O ATOM 395 CB ILE A 25 41.284 2.818 -0.619 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.016 2.208 -1.225 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.501 2.305 -1.398 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.811 2.742 -2.643 1.00 0.00 C ATOM 0 H ILE A 25 39.517 3.330 1.055 1.00 0.00 H new ATOM 0 HA ILE A 25 41.483 1.321 0.909 1.00 0.00 H new ATOM 0 HB ILE A 25 41.240 3.905 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.098 1.121 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.152 2.452 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.415 2.600 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.410 2.732 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.544 1.218 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.908 2.305 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.710 3.827 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.669 2.475 -3.260 1.00 0.00 H new ATOM 410 N LYS A 26 42.531 4.241 2.005 1.00 0.00 N ATOM 411 CA LYS A 26 43.667 4.856 2.683 1.00 0.00 C ATOM 412 C LYS A 26 44.115 4.015 3.874 1.00 0.00 C ATOM 413 O LYS A 26 45.312 3.908 4.152 1.00 0.00 O ATOM 414 CB LYS A 26 43.299 6.263 3.158 1.00 0.00 C ATOM 415 CG LYS A 26 42.991 7.144 1.946 1.00 0.00 C ATOM 416 CD LYS A 26 42.727 8.579 2.408 1.00 0.00 C ATOM 417 CE LYS A 26 42.296 9.430 1.213 1.00 0.00 C ATOM 418 NZ LYS A 26 42.197 10.857 1.629 1.00 0.00 N ATOM 0 H LYS A 26 41.684 4.808 1.974 1.00 0.00 H new ATOM 0 HA LYS A 26 44.491 4.916 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.434 6.221 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 26 44.120 6.691 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.828 7.124 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 26 42.122 6.757 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 26 41.951 8.589 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.626 8.998 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.015 9.326 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.335 9.083 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 41.904 11.436 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 41.495 10.949 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 43.123 11.184 1.971 1.00 0.00 H new ATOM 432 N ILE A 27 43.156 3.381 4.556 1.00 0.00 N ATOM 433 CA ILE A 27 43.510 2.483 5.652 1.00 0.00 C ATOM 434 C ILE A 27 44.362 1.322 5.147 1.00 0.00 C ATOM 435 O ILE A 27 45.342 0.927 5.785 1.00 0.00 O ATOM 436 CB ILE A 27 42.240 1.934 6.319 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.302 3.077 6.744 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.619 1.109 7.551 1.00 0.00 C ATOM 439 CD1 ILE A 27 42.003 4.041 7.711 1.00 0.00 C ATOM 0 H ILE A 27 42.156 3.470 4.374 1.00 0.00 H new ATOM 0 HA ILE A 27 44.087 3.051 6.382 1.00 0.00 H new ATOM 0 HB ILE A 27 41.720 1.306 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.967 3.623 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.413 2.663 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.715 0.721 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.257 0.278 7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.155 1.740 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 27 41.315 4.838 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 27 42.315 3.498 8.603 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.878 4.473 7.224 1.00 0.00 H new ATOM 451 N LEU A 28 44.013 0.808 3.968 1.00 0.00 N ATOM 452 CA LEU A 28 44.833 -0.231 3.344 1.00 0.00 C ATOM 453 C LEU A 28 46.246 0.273 3.053 1.00 0.00 C ATOM 454 O LEU A 28 47.208 -0.492 3.111 1.00 0.00 O ATOM 455 CB LEU A 28 44.184 -0.735 2.044 1.00 0.00 C ATOM 456 CG LEU A 28 43.108 -1.804 2.303 1.00 0.00 C ATOM 457 CD1 LEU A 28 43.748 -3.077 2.864 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.044 -1.291 3.281 1.00 0.00 C ATOM 0 H LEU A 28 43.188 1.085 3.436 1.00 0.00 H new ATOM 0 HA LEU A 28 44.900 -1.058 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.737 0.106 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.954 -1.149 1.393 1.00 0.00 H new ATOM 0 HG LEU A 28 42.626 -2.029 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 28 42.975 -3.825 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.471 -3.467 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 28 44.254 -2.847 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.297 -2.067 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.515 -1.034 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.563 -0.406 2.864 1.00 0.00 H new ATOM 470 N ALA A 29 46.368 1.563 2.739 1.00 0.00 N ATOM 471 CA ALA A 29 47.675 2.153 2.484 1.00 0.00 C ATOM 472 C ALA A 29 48.560 2.091 3.722 1.00 0.00 C ATOM 473 O ALA A 29 49.760 1.830 3.622 1.00 0.00 O ATOM 474 CB ALA A 29 47.510 3.610 2.049 1.00 0.00 C ATOM 0 H ALA A 29 45.584 2.211 2.657 1.00 0.00 H new ATOM 0 HA ALA A 29 48.154 1.581 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.491 4.046 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 46.912 3.652 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.010 4.171 2.838 1.00 0.00 H new ATOM 480 N ALA A 30 47.960 2.309 4.890 1.00 0.00 N ATOM 481 CA ALA A 30 48.723 2.239 6.132 1.00 0.00 C ATOM 482 C ALA A 30 49.311 0.845 6.316 1.00 0.00 C ATOM 483 O ALA A 30 50.476 0.690 6.690 1.00 0.00 O ATOM 484 CB ALA A 30 47.820 2.577 7.321 1.00 0.00 C ATOM 0 H ALA A 30 46.971 2.531 5.002 1.00 0.00 H new ATOM 0 HA ALA A 30 49.537 2.962 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.398 2.522 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.422 3.585 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.996 1.865 7.366 1.00 0.00 H new ATOM 490 N SER A 31 48.513 -0.172 5.996 1.00 0.00 N ATOM 491 CA SER A 31 49.013 -1.541 6.035 1.00 0.00 C ATOM 492 C SER A 31 50.184 -1.723 5.072 1.00 0.00 C ATOM 493 O SER A 31 51.156 -2.418 5.381 1.00 0.00 O ATOM 494 CB SER A 31 47.892 -2.515 5.666 1.00 0.00 C ATOM 495 OG SER A 31 48.336 -3.846 5.895 1.00 0.00 O ATOM 0 H SER A 31 47.538 -0.077 5.713 1.00 0.00 H new ATOM 0 HA SER A 31 49.361 -1.747 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.003 -2.308 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 31 47.612 -2.387 4.620 1.00 0.00 H new ATOM 0 HG SER A 31 47.621 -4.474 5.662 1.00 0.00 H new ATOM 501 N ALA A 32 50.116 -1.055 3.919 1.00 0.00 N ATOM 502 CA ALA A 32 51.182 -1.172 2.934 1.00 0.00 C ATOM 503 C ALA A 32 52.499 -0.656 3.501 1.00 0.00 C ATOM 504 O ALA A 32 53.553 -1.260 3.297 1.00 0.00 O ATOM 505 CB ALA A 32 50.820 -0.378 1.678 1.00 0.00 C ATOM 0 H ALA A 32 49.348 -0.440 3.651 1.00 0.00 H new ATOM 0 HA ALA A 32 51.299 -2.225 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.622 -0.470 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.895 -0.769 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 32 50.685 0.672 1.938 1.00 0.00 H new ATOM 511 N LEU A 33 52.433 0.456 4.234 1.00 0.00 N ATOM 512 CA LEU A 33 53.639 1.006 4.841 1.00 0.00 C ATOM 513 C LEU A 33 54.276 0.000 5.794 1.00 0.00 C ATOM 514 O LEU A 33 55.503 -0.116 5.848 1.00 0.00 O ATOM 515 CB LEU A 33 53.287 2.293 5.595 1.00 0.00 C ATOM 516 CG LEU A 33 54.568 3.012 6.050 1.00 0.00 C ATOM 517 CD1 LEU A 33 54.324 4.523 6.100 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.975 2.522 7.445 1.00 0.00 C ATOM 0 H LEU A 33 51.578 0.981 4.417 1.00 0.00 H new ATOM 0 HA LEU A 33 54.358 1.228 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.701 2.950 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.667 2.058 6.460 1.00 0.00 H new ATOM 0 HG LEU A 33 55.366 2.793 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 55.234 5.028 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 33 54.043 4.879 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 53.520 4.739 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.883 3.036 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.174 2.734 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.158 1.448 7.414 1.00 0.00 H new ATOM 530 N TRP A 34 53.445 -0.770 6.499 1.00 0.00 N ATOM 531 CA TRP A 34 53.974 -1.840 7.343 1.00 0.00 C ATOM 532 C TRP A 34 54.772 -2.850 6.519 1.00 0.00 C ATOM 533 O TRP A 34 55.783 -3.384 6.978 1.00 0.00 O ATOM 534 CB TRP A 34 52.826 -2.554 8.057 1.00 0.00 C ATOM 535 CG TRP A 34 53.280 -3.466 9.152 1.00 0.00 C ATOM 536 CD1 TRP A 34 53.549 -3.080 10.420 1.00 0.00 C ATOM 537 CD2 TRP A 34 53.520 -4.903 9.103 1.00 0.00 C ATOM 538 NE1 TRP A 34 53.941 -4.185 11.152 1.00 0.00 N ATOM 539 CE2 TRP A 34 53.938 -5.333 10.386 1.00 0.00 C ATOM 540 CE3 TRP A 34 53.418 -5.864 8.082 1.00 0.00 C ATOM 541 CZ2 TRP A 34 54.244 -6.671 10.644 1.00 0.00 C ATOM 542 CZ3 TRP A 34 53.724 -7.209 8.338 1.00 0.00 C ATOM 543 CH2 TRP A 34 54.135 -7.613 9.616 1.00 0.00 C ATOM 0 H TRP A 34 52.429 -0.677 6.504 1.00 0.00 H new ATOM 0 HA TRP A 34 54.642 -1.392 8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 34 52.148 -1.809 8.473 1.00 0.00 H new ATOM 0 HB3 TRP A 34 52.257 -3.130 7.327 1.00 0.00 H new ATOM 0 HD1 TRP A 34 53.470 -2.072 10.799 1.00 0.00 H new ATOM 0 HE1 TRP A 34 54.201 -4.156 12.138 1.00 0.00 H new ATOM 0 HE3 TRP A 34 53.102 -5.565 7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 54.562 -6.976 11.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 53.642 -7.938 7.545 1.00 0.00 H new ATOM 0 HH2 TRP A 34 54.367 -8.650 9.806 1.00 0.00 H new ATOM 554 N ALA A 35 54.346 -3.071 5.274 1.00 0.00 N ATOM 555 CA ALA A 35 55.106 -3.925 4.365 1.00 0.00 C ATOM 556 C ALA A 35 56.479 -3.330 4.069 1.00 0.00 C ATOM 557 O ALA A 35 57.486 -4.041 4.021 1.00 0.00 O ATOM 558 CB ALA A 35 54.335 -4.104 3.056 1.00 0.00 C ATOM 0 H ALA A 35 53.492 -2.677 4.878 1.00 0.00 H new ATOM 0 HA ALA A 35 55.246 -4.892 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 35 54.906 -4.742 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 35 53.370 -4.567 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.179 -3.131 2.590 1.00 0.00 H new ATOM 564 N ALA A 36 56.521 -2.009 3.912 1.00 0.00 N ATOM 565 CA ALA A 36 57.781 -1.341 3.611 1.00 0.00 C ATOM 566 C ALA A 36 58.795 -1.571 4.723 1.00 0.00 C ATOM 567 O ALA A 36 59.983 -1.752 4.457 1.00 0.00 O ATOM 568 CB ALA A 36 57.544 0.161 3.435 1.00 0.00 C ATOM 0 H ALA A 36 55.713 -1.391 3.987 1.00 0.00 H new ATOM 0 HA ALA A 36 58.178 -1.759 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 36 58.489 0.655 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 56.845 0.325 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.129 0.574 4.354 1.00 0.00 H new ATOM 574 N ALA A 37 58.325 -1.563 5.968 1.00 0.00 N ATOM 575 CA ALA A 37 59.201 -1.853 7.099 1.00 0.00 C ATOM 576 C ALA A 37 59.744 -3.278 7.042 1.00 0.00 C ATOM 577 O ALA A 37 60.908 -3.518 7.387 1.00 0.00 O ATOM 578 CB ALA A 37 58.441 -1.649 8.410 1.00 0.00 C ATOM 0 H ALA A 37 57.357 -1.362 6.217 1.00 0.00 H new ATOM 0 HA ALA A 37 60.046 -1.167 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 37 59.100 -1.867 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 37 58.099 -0.616 8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 37 57.581 -2.318 8.440 1.00 0.00 H new ATOM 584 N TRP A 38 58.884 -4.211 6.623 1.00 0.00 N ATOM 585 CA TRP A 38 59.280 -5.610 6.476 1.00 0.00 C ATOM 586 C TRP A 38 60.450 -5.786 5.510 1.00 0.00 C ATOM 587 O TRP A 38 61.229 -6.732 5.646 1.00 0.00 O ATOM 588 CB TRP A 38 58.090 -6.438 5.988 1.00 0.00 C ATOM 589 CG TRP A 38 58.367 -7.908 5.945 1.00 0.00 C ATOM 590 CD1 TRP A 38 58.466 -8.645 4.815 1.00 0.00 C ATOM 591 CD2 TRP A 38 58.586 -8.827 7.055 1.00 0.00 C ATOM 592 NE1 TRP A 38 58.728 -9.958 5.160 1.00 0.00 N ATOM 593 CE2 TRP A 38 58.812 -10.121 6.528 1.00 0.00 C ATOM 594 CE3 TRP A 38 58.610 -8.666 8.451 1.00 0.00 C ATOM 595 CZ2 TRP A 38 59.053 -11.218 7.360 1.00 0.00 C ATOM 596 CZ3 TRP A 38 58.851 -9.764 9.290 1.00 0.00 C ATOM 597 CH2 TRP A 38 59.072 -11.037 8.747 1.00 0.00 C ATOM 0 H TRP A 38 57.912 -4.021 6.381 1.00 0.00 H new ATOM 0 HA TRP A 38 59.606 -5.957 7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 38 57.237 -6.255 6.642 1.00 0.00 H new ATOM 0 HB3 TRP A 38 57.806 -6.100 4.991 1.00 0.00 H new ATOM 0 HD1 TRP A 38 58.358 -8.269 3.808 1.00 0.00 H new ATOM 0 HE1 TRP A 38 58.845 -10.714 4.486 1.00 0.00 H new ATOM 0 HE3 TRP A 38 58.442 -7.690 8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 59.223 -12.197 6.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 58.866 -9.628 10.361 1.00 0.00 H new ATOM 0 HH2 TRP A 38 59.257 -11.878 9.399 1.00 0.00 H new