USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 298 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 66:sc= 0.00094 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 28.549 -2.463 -19.092 1.00 0.00 N ATOM 37 CA LEU A 3 27.557 -1.587 -19.715 1.00 0.00 C ATOM 38 C LEU A 3 26.650 -0.967 -18.640 1.00 0.00 C ATOM 39 O LEU A 3 26.984 0.089 -18.104 1.00 0.00 O ATOM 40 CB LEU A 3 26.763 -2.376 -20.771 1.00 0.00 C ATOM 41 CG LEU A 3 27.717 -2.945 -21.826 1.00 0.00 C ATOM 42 CD1 LEU A 3 26.930 -3.820 -22.803 1.00 0.00 C ATOM 43 CD2 LEU A 3 28.374 -1.800 -22.599 1.00 0.00 C ATOM 0 HA LEU A 3 28.055 -0.763 -20.226 1.00 0.00 H new ATOM 0 HB2 LEU A 3 26.211 -3.186 -20.293 1.00 0.00 H new ATOM 0 HB3 LEU A 3 26.028 -1.726 -21.246 1.00 0.00 H new ATOM 0 HG LEU A 3 28.485 -3.540 -21.332 1.00 0.00 H new ATOM 0 HD11 LEU A 3 27.607 -4.226 -23.555 1.00 0.00 H new ATOM 0 HD12 LEU A 3 26.458 -4.639 -22.259 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.163 -3.220 -23.292 1.00 0.00 H new ATOM 0 HD21 LEU A 3 29.052 -2.209 -23.348 1.00 0.00 H new ATOM 0 HD22 LEU A 3 27.605 -1.205 -23.091 1.00 0.00 H new ATOM 0 HD23 LEU A 3 28.934 -1.169 -21.909 1.00 0.00 H new ATOM 55 N LEU A 4 25.508 -1.588 -18.329 1.00 0.00 N ATOM 56 CA LEU A 4 24.626 -1.069 -17.282 1.00 0.00 C ATOM 57 C LEU A 4 25.335 -0.952 -15.927 1.00 0.00 C ATOM 58 O LEU A 4 24.916 -0.170 -15.073 1.00 0.00 O ATOM 59 CB LEU A 4 23.296 -1.856 -17.197 1.00 0.00 C ATOM 60 CG LEU A 4 23.377 -3.270 -16.575 1.00 0.00 C ATOM 61 CD1 LEU A 4 24.526 -4.102 -17.149 1.00 0.00 C ATOM 62 CD2 LEU A 4 23.499 -3.196 -15.050 1.00 0.00 C ATOM 0 H LEU A 4 25.176 -2.440 -18.781 1.00 0.00 H new ATOM 0 HA LEU A 4 24.360 -0.052 -17.571 1.00 0.00 H new ATOM 0 HB2 LEU A 4 22.586 -1.267 -16.617 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.887 -1.947 -18.203 1.00 0.00 H new ATOM 0 HG LEU A 4 22.445 -3.771 -16.837 1.00 0.00 H new ATOM 0 HD11 LEU A 4 24.535 -5.084 -16.677 1.00 0.00 H new ATOM 0 HD12 LEU A 4 24.390 -4.218 -18.224 1.00 0.00 H new ATOM 0 HD13 LEU A 4 25.473 -3.597 -16.955 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.554 -4.204 -14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 4 24.402 -2.646 -14.783 1.00 0.00 H new ATOM 0 HD23 LEU A 4 22.628 -2.685 -14.640 1.00 0.00 H new ATOM 74 N GLU A 5 26.400 -1.725 -15.728 1.00 0.00 N ATOM 75 CA GLU A 5 27.116 -1.735 -14.450 1.00 0.00 C ATOM 76 C GLU A 5 28.194 -0.641 -14.370 1.00 0.00 C ATOM 77 O GLU A 5 28.636 -0.284 -13.279 1.00 0.00 O ATOM 78 CB GLU A 5 27.758 -3.112 -14.254 1.00 0.00 C ATOM 79 CG GLU A 5 28.305 -3.250 -12.826 1.00 0.00 C ATOM 80 CD GLU A 5 29.016 -4.592 -12.614 1.00 0.00 C ATOM 81 OE1 GLU A 5 29.107 -5.377 -13.547 1.00 0.00 O ATOM 82 OE2 GLU A 5 29.467 -4.816 -11.503 1.00 0.00 O ATOM 0 H GLU A 5 26.788 -2.352 -16.433 1.00 0.00 H new ATOM 0 HA GLU A 5 26.395 -1.529 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.023 -3.894 -14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.565 -3.250 -14.974 1.00 0.00 H new ATOM 0 HG2 GLU A 5 29.000 -2.435 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.486 -3.156 -12.113 1.00 0.00 H new ATOM 89 N GLY A 6 28.583 -0.070 -15.510 1.00 0.00 N ATOM 90 CA GLY A 6 29.650 0.929 -15.538 1.00 0.00 C ATOM 91 C GLY A 6 29.133 2.372 -15.473 1.00 0.00 C ATOM 92 O GLY A 6 29.897 3.307 -15.714 1.00 0.00 O ATOM 0 H GLY A 6 28.177 -0.281 -16.422 1.00 0.00 H new ATOM 0 HA2 GLY A 6 30.324 0.754 -14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.234 0.801 -16.449 1.00 0.00 H new ATOM 96 N GLU A 7 27.852 2.564 -15.151 1.00 0.00 N ATOM 97 CA GLU A 7 27.280 3.906 -15.107 1.00 0.00 C ATOM 98 C GLU A 7 27.499 4.531 -13.731 1.00 0.00 C ATOM 99 O GLU A 7 27.529 3.834 -12.717 1.00 0.00 O ATOM 100 CB GLU A 7 25.783 3.838 -15.417 1.00 0.00 C ATOM 101 CG GLU A 7 25.215 5.254 -15.577 1.00 0.00 C ATOM 102 CD GLU A 7 23.700 5.241 -15.813 1.00 0.00 C ATOM 103 OE1 GLU A 7 23.103 4.174 -15.824 1.00 0.00 O ATOM 104 OE2 GLU A 7 23.150 6.318 -15.979 1.00 0.00 O ATOM 0 H GLU A 7 27.200 1.815 -14.920 1.00 0.00 H new ATOM 0 HA GLU A 7 27.775 4.526 -15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 7 25.618 3.266 -16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 7 25.261 3.316 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.438 5.837 -14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.708 5.750 -16.413 1.00 0.00 H new ATOM 111 N ILE A 8 27.653 5.851 -13.709 1.00 0.00 N ATOM 112 CA ILE A 8 27.949 6.566 -12.472 1.00 0.00 C ATOM 113 C ILE A 8 26.678 6.771 -11.635 1.00 0.00 C ATOM 114 O ILE A 8 25.611 7.002 -12.209 1.00 0.00 O ATOM 115 CB ILE A 8 28.582 7.925 -12.787 1.00 0.00 C ATOM 116 CG1 ILE A 8 27.621 8.765 -13.636 1.00 0.00 C ATOM 117 CG2 ILE A 8 29.885 7.712 -13.560 1.00 0.00 C ATOM 118 CD1 ILE A 8 28.192 10.173 -13.815 1.00 0.00 C ATOM 0 H ILE A 8 27.578 6.447 -14.533 1.00 0.00 H new ATOM 0 HA ILE A 8 28.650 5.963 -11.895 1.00 0.00 H new ATOM 0 HB ILE A 8 28.788 8.448 -11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 8 27.473 8.295 -14.608 1.00 0.00 H new ATOM 0 HG13 ILE A 8 26.644 8.816 -13.155 1.00 0.00 H new ATOM 0 HG21 ILE A 8 30.337 8.678 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 8 30.574 7.121 -12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 8 29.674 7.185 -14.490 1.00 0.00 H new ATOM 0 HD11 ILE A 8 27.508 10.769 -14.419 1.00 0.00 H new ATOM 0 HD12 ILE A 8 28.317 10.642 -12.839 1.00 0.00 H new ATOM 0 HD13 ILE A 8 29.159 10.113 -14.315 1.00 0.00 H new ATOM 130 N PRO A 9 26.742 6.688 -10.319 1.00 0.00 N ATOM 131 CA PRO A 9 25.546 6.952 -9.465 1.00 0.00 C ATOM 132 C PRO A 9 25.123 8.415 -9.566 1.00 0.00 C ATOM 133 O PRO A 9 25.955 9.288 -9.815 1.00 0.00 O ATOM 134 CB PRO A 9 25.960 6.578 -8.034 1.00 0.00 C ATOM 135 CG PRO A 9 27.366 6.085 -8.099 1.00 0.00 C ATOM 136 CD PRO A 9 27.925 6.420 -9.481 1.00 0.00 C ATOM 0 HA PRO A 9 24.684 6.367 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 9 25.885 7.442 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 9 25.301 5.810 -7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 9 27.969 6.553 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 9 27.400 5.009 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.584 7.287 -9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.512 5.593 -9.880 1.00 0.00 H new ATOM 144 N PHE A 10 23.834 8.681 -9.383 1.00 0.00 N ATOM 145 CA PHE A 10 23.311 10.029 -9.581 1.00 0.00 C ATOM 146 C PHE A 10 24.078 11.049 -8.725 1.00 0.00 C ATOM 147 O PHE A 10 24.499 10.717 -7.616 1.00 0.00 O ATOM 148 CB PHE A 10 21.828 10.069 -9.209 1.00 0.00 C ATOM 149 CG PHE A 10 20.986 9.082 -9.981 1.00 0.00 C ATOM 150 CD1 PHE A 10 20.788 7.788 -9.482 1.00 0.00 C ATOM 151 CD2 PHE A 10 20.402 9.460 -11.196 1.00 0.00 C ATOM 152 CE1 PHE A 10 20.005 6.874 -10.197 1.00 0.00 C ATOM 153 CE2 PHE A 10 19.620 8.545 -11.912 1.00 0.00 C ATOM 154 CZ PHE A 10 19.422 7.253 -11.413 1.00 0.00 C ATOM 0 H PHE A 10 23.139 7.990 -9.101 1.00 0.00 H new ATOM 0 HA PHE A 10 23.437 10.291 -10.631 1.00 0.00 H new ATOM 0 HB2 PHE A 10 21.724 9.868 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 10 21.445 11.075 -9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 10 21.240 7.496 -8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 10 20.555 10.457 -11.581 1.00 0.00 H new ATOM 0 HE1 PHE A 10 19.850 5.877 -9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 10 19.170 8.837 -12.849 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.819 6.547 -11.966 1.00 0.00 H new ATOM 164 N PRO A 11 24.280 12.268 -9.191 1.00 0.00 N ATOM 165 CA PRO A 11 25.046 13.297 -8.407 1.00 0.00 C ATOM 166 C PRO A 11 24.553 13.669 -6.991 1.00 0.00 C ATOM 167 O PRO A 11 25.404 14.053 -6.184 1.00 0.00 O ATOM 168 CB PRO A 11 25.020 14.552 -9.290 1.00 0.00 C ATOM 169 CG PRO A 11 24.680 14.085 -10.660 1.00 0.00 C ATOM 170 CD PRO A 11 23.831 12.831 -10.483 1.00 0.00 C ATOM 0 HA PRO A 11 26.024 12.864 -8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 11 24.282 15.268 -8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 11 25.986 15.057 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 11 24.132 14.852 -11.208 1.00 0.00 H new ATOM 0 HG3 PRO A 11 25.582 13.867 -11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 11 22.768 13.069 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 11 23.986 12.126 -11.300 1.00 0.00 H new ATOM 178 N PRO A 12 23.282 13.572 -6.620 1.00 0.00 N ATOM 179 CA PRO A 12 22.805 14.234 -5.360 1.00 0.00 C ATOM 180 C PRO A 12 23.589 13.847 -4.105 1.00 0.00 C ATOM 181 O PRO A 12 23.665 14.652 -3.176 1.00 0.00 O ATOM 182 CB PRO A 12 21.345 13.799 -5.220 1.00 0.00 C ATOM 183 CG PRO A 12 20.907 13.456 -6.600 1.00 0.00 C ATOM 184 CD PRO A 12 22.147 12.923 -7.310 1.00 0.00 C ATOM 0 HA PRO A 12 22.942 15.312 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.251 12.942 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.734 14.598 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.114 12.708 -6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.509 14.332 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.208 11.837 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.134 13.172 -8.371 1.00 0.00 H new ATOM 192 N THR A 13 24.192 12.655 -4.077 1.00 0.00 N ATOM 193 CA THR A 13 24.955 12.244 -2.896 1.00 0.00 C ATOM 194 C THR A 13 25.636 10.890 -3.067 1.00 0.00 C ATOM 195 O THR A 13 26.705 10.656 -2.494 1.00 0.00 O ATOM 196 CB THR A 13 24.039 12.171 -1.669 1.00 0.00 C ATOM 197 OG1 THR A 13 24.783 11.686 -0.560 1.00 0.00 O ATOM 198 CG2 THR A 13 22.869 11.224 -1.946 1.00 0.00 C ATOM 0 H THR A 13 24.169 11.974 -4.836 1.00 0.00 H new ATOM 0 HA THR A 13 25.730 12.999 -2.760 1.00 0.00 H new ATOM 0 HB THR A 13 23.650 13.165 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 13 24.202 11.639 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.223 11.178 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.298 11.591 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 13 23.252 10.228 -2.168 1.00 0.00 H new ATOM 206 N SER A 14 25.011 9.979 -3.808 1.00 0.00 N ATOM 207 CA SER A 14 25.496 8.602 -3.837 1.00 0.00 C ATOM 208 C SER A 14 26.949 8.540 -4.300 1.00 0.00 C ATOM 209 O SER A 14 27.733 7.735 -3.788 1.00 0.00 O ATOM 210 CB SER A 14 24.624 7.766 -4.772 1.00 0.00 C ATOM 211 OG SER A 14 25.022 6.405 -4.689 1.00 0.00 O ATOM 0 H SER A 14 24.188 10.161 -4.383 1.00 0.00 H new ATOM 0 HA SER A 14 25.441 8.201 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.574 7.868 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.722 8.124 -5.797 1.00 0.00 H new ATOM 0 HG SER A 14 24.464 5.864 -5.286 1.00 0.00 H new ATOM 217 N ILE A 15 27.321 9.406 -5.245 1.00 0.00 N ATOM 218 CA ILE A 15 28.708 9.426 -5.709 1.00 0.00 C ATOM 219 C ILE A 15 29.660 9.741 -4.552 1.00 0.00 C ATOM 220 O ILE A 15 30.750 9.169 -4.458 1.00 0.00 O ATOM 221 CB ILE A 15 28.876 10.471 -6.822 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.908 10.160 -7.968 1.00 0.00 C ATOM 223 CG2 ILE A 15 30.311 10.441 -7.361 1.00 0.00 C ATOM 224 CD1 ILE A 15 27.955 11.285 -9.007 1.00 0.00 C ATOM 0 H ILE A 15 26.703 10.083 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 15 28.953 8.440 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 15 28.663 11.458 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 15 28.174 9.211 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 15 26.895 10.052 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 15 30.419 11.186 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 15 31.008 10.664 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 15 30.528 9.452 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.265 11.059 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 15 27.667 12.226 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 15 28.967 11.372 -9.404 1.00 0.00 H new ATOM 236 N LEU A 16 29.229 10.619 -3.645 1.00 0.00 N ATOM 237 CA LEU A 16 30.036 10.918 -2.466 1.00 0.00 C ATOM 238 C LEU A 16 30.267 9.668 -1.623 1.00 0.00 C ATOM 239 O LEU A 16 31.352 9.470 -1.072 1.00 0.00 O ATOM 240 CB LEU A 16 29.330 11.986 -1.624 1.00 0.00 C ATOM 241 CG LEU A 16 30.217 12.402 -0.448 1.00 0.00 C ATOM 242 CD1 LEU A 16 31.430 13.177 -0.967 1.00 0.00 C ATOM 243 CD2 LEU A 16 29.412 13.291 0.502 1.00 0.00 C ATOM 0 H LEU A 16 28.345 11.125 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 16 31.007 11.287 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 29.101 12.854 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.380 11.599 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 16 30.558 11.513 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 16 32.060 13.472 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 32.003 12.545 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 31.093 14.067 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 16 30.040 13.589 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.072 14.179 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.549 12.739 0.874 1.00 0.00 H new ATOM 255 N LEU A 17 29.254 8.802 -1.557 1.00 0.00 N ATOM 256 CA LEU A 17 29.397 7.566 -0.798 1.00 0.00 C ATOM 257 C LEU A 17 30.528 6.712 -1.363 1.00 0.00 C ATOM 258 O LEU A 17 31.293 6.102 -0.611 1.00 0.00 O ATOM 259 CB LEU A 17 28.077 6.780 -0.852 1.00 0.00 C ATOM 260 CG LEU A 17 27.851 5.930 0.412 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.037 4.996 0.674 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.641 6.843 1.623 1.00 0.00 C ATOM 0 H LEU A 17 28.349 8.931 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 17 29.637 7.815 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.247 7.476 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.079 6.131 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 17 26.962 5.319 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.847 4.410 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.167 4.326 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.942 5.587 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.482 6.235 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.522 7.469 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.769 7.476 1.455 1.00 0.00 H new ATOM 274 N LEU A 18 30.668 6.708 -2.692 1.00 0.00 N ATOM 275 CA LEU A 18 31.772 5.976 -3.305 1.00 0.00 C ATOM 276 C LEU A 18 33.118 6.523 -2.850 1.00 0.00 C ATOM 277 O LEU A 18 34.061 5.761 -2.626 1.00 0.00 O ATOM 278 CB LEU A 18 31.692 6.054 -4.832 1.00 0.00 C ATOM 279 CG LEU A 18 30.370 5.471 -5.341 1.00 0.00 C ATOM 280 CD1 LEU A 18 30.328 5.598 -6.865 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.262 3.990 -4.966 1.00 0.00 C ATOM 0 H LEU A 18 30.049 7.189 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 18 31.686 4.937 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.784 7.092 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.527 5.510 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 18 29.542 6.016 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.391 5.186 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 18 30.399 6.649 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.164 5.050 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.318 3.589 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.089 3.440 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.302 3.885 -3.882 1.00 0.00 H new ATOM 293 N LEU A 19 33.200 7.844 -2.686 1.00 0.00 N ATOM 294 CA LEU A 19 34.440 8.448 -2.202 1.00 0.00 C ATOM 295 C LEU A 19 34.804 7.942 -0.810 1.00 0.00 C ATOM 296 O LEU A 19 35.982 7.744 -0.503 1.00 0.00 O ATOM 297 CB LEU A 19 34.318 9.975 -2.183 1.00 0.00 C ATOM 298 CG LEU A 19 34.050 10.506 -3.597 1.00 0.00 C ATOM 299 CD1 LEU A 19 33.834 12.021 -3.539 1.00 0.00 C ATOM 300 CD2 LEU A 19 35.249 10.212 -4.503 1.00 0.00 C ATOM 0 H LEU A 19 32.443 8.501 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 19 35.236 8.157 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.509 10.274 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.235 10.415 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 19 33.162 10.016 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.643 12.400 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.980 12.242 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.725 12.500 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.050 10.592 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.137 10.698 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.414 9.136 -4.550 1.00 0.00 H new ATOM 312 N ALA A 20 33.791 7.680 0.016 1.00 0.00 N ATOM 313 CA ALA A 20 34.048 7.151 1.352 1.00 0.00 C ATOM 314 C ALA A 20 34.700 5.776 1.270 1.00 0.00 C ATOM 315 O ALA A 20 35.655 5.481 1.996 1.00 0.00 O ATOM 316 CB ALA A 20 32.743 7.060 2.147 1.00 0.00 C ATOM 0 H ALA A 20 32.807 7.822 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 20 34.730 7.831 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.950 6.664 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.301 8.053 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.048 6.399 1.630 1.00 0.00 H new ATOM 322 N CYS A 21 34.209 4.949 0.350 1.00 0.00 N ATOM 323 CA CYS A 21 34.779 3.618 0.181 1.00 0.00 C ATOM 324 C CYS A 21 36.246 3.710 -0.218 1.00 0.00 C ATOM 325 O CYS A 21 37.089 2.962 0.284 1.00 0.00 O ATOM 326 CB CYS A 21 34.003 2.849 -0.889 1.00 0.00 C ATOM 327 SG CYS A 21 32.290 2.623 -0.348 1.00 0.00 S ATOM 0 H CYS A 21 33.435 5.171 -0.276 1.00 0.00 H new ATOM 0 HA CYS A 21 34.706 3.089 1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.029 3.393 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.470 1.880 -1.066 1.00 0.00 H new ATOM 0 HG CYS A 21 31.698 3.779 -0.288 1.00 0.00 H new ATOM 333 N ILE A 22 36.557 4.653 -1.109 1.00 0.00 N ATOM 334 CA ILE A 22 37.943 4.839 -1.525 1.00 0.00 C ATOM 335 C ILE A 22 38.824 5.194 -0.325 1.00 0.00 C ATOM 336 O ILE A 22 39.982 4.776 -0.261 1.00 0.00 O ATOM 337 CB ILE A 22 38.029 5.932 -2.601 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.151 5.536 -3.794 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.479 6.082 -3.079 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.016 6.702 -4.779 1.00 0.00 C ATOM 0 H ILE A 22 35.885 5.284 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 22 38.308 3.903 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 22 37.686 6.877 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.585 4.674 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.164 5.235 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.532 6.859 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.113 6.357 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.823 5.137 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.389 6.399 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.560 7.554 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.003 6.984 -5.147 1.00 0.00 H new ATOM 352 N PHE A 23 38.276 5.942 0.635 1.00 0.00 N ATOM 353 CA PHE A 23 39.037 6.256 1.840 1.00 0.00 C ATOM 354 C PHE A 23 39.431 4.983 2.584 1.00 0.00 C ATOM 355 O PHE A 23 40.540 4.881 3.116 1.00 0.00 O ATOM 356 CB PHE A 23 38.210 7.153 2.762 1.00 0.00 C ATOM 357 CG PHE A 23 38.976 7.646 3.966 1.00 0.00 C ATOM 358 CD1 PHE A 23 38.971 6.900 5.152 1.00 0.00 C ATOM 359 CD2 PHE A 23 39.692 8.846 3.897 1.00 0.00 C ATOM 360 CE1 PHE A 23 39.683 7.357 6.267 1.00 0.00 C ATOM 361 CE2 PHE A 23 40.405 9.302 5.013 1.00 0.00 C ATOM 362 CZ PHE A 23 40.399 8.557 6.198 1.00 0.00 C ATOM 0 H PHE A 23 37.334 6.331 0.603 1.00 0.00 H new ATOM 0 HA PHE A 23 39.945 6.779 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.849 8.011 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.332 6.603 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 23 38.418 5.974 5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.695 9.421 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 23 39.680 6.783 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 23 40.959 10.228 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 23 40.947 8.909 7.059 1.00 0.00 H new ATOM 372 N LEU A 24 38.538 3.992 2.582 1.00 0.00 N ATOM 373 CA LEU A 24 38.873 2.706 3.188 1.00 0.00 C ATOM 374 C LEU A 24 40.071 2.069 2.488 1.00 0.00 C ATOM 375 O LEU A 24 40.936 1.468 3.133 1.00 0.00 O ATOM 376 CB LEU A 24 37.673 1.758 3.111 1.00 0.00 C ATOM 377 CG LEU A 24 36.461 2.394 3.797 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.238 1.491 3.617 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.746 2.561 5.292 1.00 0.00 C ATOM 0 H LEU A 24 37.603 4.052 2.179 1.00 0.00 H new ATOM 0 HA LEU A 24 39.131 2.882 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.438 1.538 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.917 0.810 3.590 1.00 0.00 H new ATOM 0 HG LEU A 24 36.266 3.369 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.376 1.945 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.030 1.368 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.437 0.516 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.882 3.014 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.943 1.585 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.616 3.203 5.427 1.00 0.00 H new ATOM 391 N ILE A 25 40.145 2.239 1.166 1.00 0.00 N ATOM 392 CA ILE A 25 41.304 1.744 0.428 1.00 0.00 C ATOM 393 C ILE A 25 42.585 2.421 0.917 1.00 0.00 C ATOM 394 O ILE A 25 43.640 1.788 0.988 1.00 0.00 O ATOM 395 CB ILE A 25 41.125 1.978 -1.079 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.822 1.321 -1.549 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.296 1.357 -1.845 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.553 1.698 -3.008 1.00 0.00 C ATOM 0 H ILE A 25 39.436 2.703 0.599 1.00 0.00 H new ATOM 0 HA ILE A 25 41.387 0.672 0.607 1.00 0.00 H new ATOM 0 HB ILE A 25 41.091 3.051 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.893 0.238 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.992 1.645 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.163 1.527 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.229 1.816 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.331 0.285 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.626 1.230 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.463 2.781 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.378 1.352 -3.631 1.00 0.00 H new ATOM 410 N LYS A 26 42.490 3.703 1.280 1.00 0.00 N ATOM 411 CA LYS A 26 43.653 4.396 1.827 1.00 0.00 C ATOM 412 C LYS A 26 44.148 3.718 3.103 1.00 0.00 C ATOM 413 O LYS A 26 45.353 3.658 3.353 1.00 0.00 O ATOM 414 CB LYS A 26 43.307 5.857 2.123 1.00 0.00 C ATOM 415 CG LYS A 26 44.576 6.611 2.525 1.00 0.00 C ATOM 416 CD LYS A 26 44.221 8.051 2.900 1.00 0.00 C ATOM 417 CE LYS A 26 45.505 8.845 3.148 1.00 0.00 C ATOM 418 NZ LYS A 26 45.187 10.300 3.206 1.00 0.00 N ATOM 0 H LYS A 26 41.643 4.267 1.207 1.00 0.00 H new ATOM 0 HA LYS A 26 44.448 4.355 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.859 6.321 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.570 5.912 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 45.055 6.113 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.291 6.605 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 26 43.643 8.514 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.596 8.062 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 26 45.968 8.526 4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.225 8.651 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 46.060 10.840 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.764 10.599 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 44.515 10.478 3.980 1.00 0.00 H new ATOM 432 N ILE A 27 43.218 3.176 3.895 1.00 0.00 N ATOM 433 CA ILE A 27 43.618 2.433 5.090 1.00 0.00 C ATOM 434 C ILE A 27 44.476 1.227 4.709 1.00 0.00 C ATOM 435 O ILE A 27 45.452 0.906 5.392 1.00 0.00 O ATOM 436 CB ILE A 27 42.376 1.970 5.865 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.505 3.179 6.217 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.799 1.273 7.162 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.184 2.701 6.823 1.00 0.00 C ATOM 0 H ILE A 27 42.212 3.235 3.737 1.00 0.00 H new ATOM 0 HA ILE A 27 44.208 3.093 5.726 1.00 0.00 H new ATOM 0 HB ILE A 27 41.813 1.276 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.028 3.824 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.313 3.774 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.912 0.948 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.417 0.407 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.369 1.968 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.565 3.563 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.659 2.074 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.385 2.125 7.726 1.00 0.00 H new ATOM 451 N LEU A 28 44.133 0.582 3.593 1.00 0.00 N ATOM 452 CA LEU A 28 44.978 -0.497 3.079 1.00 0.00 C ATOM 453 C LEU A 28 46.380 0.007 2.740 1.00 0.00 C ATOM 454 O LEU A 28 47.360 -0.725 2.875 1.00 0.00 O ATOM 455 CB LEU A 28 44.344 -1.136 1.839 1.00 0.00 C ATOM 456 CG LEU A 28 42.932 -1.628 2.169 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.273 -2.172 0.899 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.003 -2.745 3.214 1.00 0.00 C ATOM 0 H LEU A 28 43.299 0.780 3.040 1.00 0.00 H new ATOM 0 HA LEU A 28 45.063 -1.248 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 28 44.305 -0.411 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.957 -1.969 1.495 1.00 0.00 H new ATOM 0 HG LEU A 28 42.347 -0.797 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.268 -2.523 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 28 42.217 -1.381 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.864 -3.000 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.996 -3.091 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.591 -3.574 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.473 -2.365 4.121 1.00 0.00 H new ATOM 470 N ALA A 29 46.472 1.263 2.297 1.00 0.00 N ATOM 471 CA ALA A 29 47.769 1.867 2.016 1.00 0.00 C ATOM 472 C ALA A 29 48.621 1.960 3.275 1.00 0.00 C ATOM 473 O ALA A 29 49.832 1.733 3.236 1.00 0.00 O ATOM 474 CB ALA A 29 47.573 3.267 1.430 1.00 0.00 C ATOM 0 H ALA A 29 45.672 1.873 2.128 1.00 0.00 H new ATOM 0 HA ALA A 29 48.287 1.232 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.545 3.714 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.000 3.197 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.034 3.888 2.145 1.00 0.00 H new ATOM 480 N ALA A 30 47.980 2.270 4.401 1.00 0.00 N ATOM 481 CA ALA A 30 48.706 2.332 5.668 1.00 0.00 C ATOM 482 C ALA A 30 49.326 0.976 5.991 1.00 0.00 C ATOM 483 O ALA A 30 50.465 0.895 6.460 1.00 0.00 O ATOM 484 CB ALA A 30 47.761 2.750 6.796 1.00 0.00 C ATOM 0 H ALA A 30 46.983 2.478 4.463 1.00 0.00 H new ATOM 0 HA ALA A 30 49.502 3.071 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.312 2.793 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.343 3.732 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.953 2.023 6.882 1.00 0.00 H new ATOM 490 N SER A 31 48.593 -0.094 5.690 1.00 0.00 N ATOM 491 CA SER A 31 49.151 -1.435 5.830 1.00 0.00 C ATOM 492 C SER A 31 50.387 -1.603 4.946 1.00 0.00 C ATOM 493 O SER A 31 51.351 -2.268 5.331 1.00 0.00 O ATOM 494 CB SER A 31 48.102 -2.479 5.446 1.00 0.00 C ATOM 495 OG SER A 31 46.928 -2.266 6.218 1.00 0.00 O ATOM 0 H SER A 31 47.630 -0.061 5.354 1.00 0.00 H new ATOM 0 HA SER A 31 49.443 -1.577 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.871 -2.407 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.489 -3.483 5.620 1.00 0.00 H new ATOM 0 HG SER A 31 46.251 -2.932 5.975 1.00 0.00 H new ATOM 501 N ALA A 32 50.378 -0.966 3.773 1.00 0.00 N ATOM 502 CA ALA A 32 51.525 -1.053 2.877 1.00 0.00 C ATOM 503 C ALA A 32 52.768 -0.472 3.542 1.00 0.00 C ATOM 504 O ALA A 32 53.862 -1.031 3.431 1.00 0.00 O ATOM 505 CB ALA A 32 51.235 -0.294 1.581 1.00 0.00 C ATOM 0 H ALA A 32 49.605 -0.396 3.429 1.00 0.00 H new ATOM 0 HA ALA A 32 51.706 -2.103 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.097 -0.364 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.364 -0.729 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.037 0.753 1.809 1.00 0.00 H new ATOM 511 N LEU A 33 52.595 0.642 4.255 1.00 0.00 N ATOM 512 CA LEU A 33 53.717 1.226 4.982 1.00 0.00 C ATOM 513 C LEU A 33 54.276 0.238 6.003 1.00 0.00 C ATOM 514 O LEU A 33 55.490 0.177 6.220 1.00 0.00 O ATOM 515 CB LEU A 33 53.265 2.500 5.702 1.00 0.00 C ATOM 516 CG LEU A 33 52.700 3.499 4.690 1.00 0.00 C ATOM 517 CD1 LEU A 33 52.150 4.719 5.431 1.00 0.00 C ATOM 518 CD2 LEU A 33 53.810 3.952 3.737 1.00 0.00 C ATOM 0 H LEU A 33 51.712 1.145 4.343 1.00 0.00 H new ATOM 0 HA LEU A 33 54.500 1.468 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.508 2.257 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 54.106 2.945 6.234 1.00 0.00 H new ATOM 0 HG LEU A 33 51.902 3.021 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 33 51.747 5.431 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 51.359 4.405 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 33 52.951 5.191 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 33 53.404 4.663 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.608 4.428 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.209 3.088 3.207 1.00 0.00 H new ATOM 530 N TRP A 34 53.397 -0.565 6.607 1.00 0.00 N ATOM 531 CA TRP A 34 53.863 -1.639 7.482 1.00 0.00 C ATOM 532 C TRP A 34 54.763 -2.616 6.723 1.00 0.00 C ATOM 533 O TRP A 34 55.714 -3.163 7.282 1.00 0.00 O ATOM 534 CB TRP A 34 52.666 -2.388 8.070 1.00 0.00 C ATOM 535 CG TRP A 34 53.013 -3.210 9.270 1.00 0.00 C ATOM 536 CD1 TRP A 34 53.035 -4.562 9.308 1.00 0.00 C ATOM 537 CD2 TRP A 34 53.386 -2.759 10.605 1.00 0.00 C ATOM 538 NE1 TRP A 34 53.399 -4.969 10.578 1.00 0.00 N ATOM 539 CE2 TRP A 34 53.625 -3.895 11.414 1.00 0.00 C ATOM 540 CE3 TRP A 34 53.539 -1.487 11.186 1.00 0.00 C ATOM 541 CZ2 TRP A 34 54.003 -3.772 12.754 1.00 0.00 C ATOM 542 CZ3 TRP A 34 53.918 -1.360 12.531 1.00 0.00 C ATOM 543 CH2 TRP A 34 54.150 -2.499 13.314 1.00 0.00 C ATOM 0 H TRP A 34 52.384 -0.495 6.510 1.00 0.00 H new ATOM 0 HA TRP A 34 54.445 -1.193 8.288 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.894 -1.668 8.342 1.00 0.00 H new ATOM 0 HB3 TRP A 34 52.241 -3.037 7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.805 -5.217 8.481 1.00 0.00 H new ATOM 0 HE1 TRP A 34 53.489 -5.944 10.862 1.00 0.00 H new ATOM 0 HE3 TRP A 34 53.363 -0.602 10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 54.180 -4.653 13.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 54.032 -0.378 12.966 1.00 0.00 H new ATOM 0 HH2 TRP A 34 54.442 -2.394 14.348 1.00 0.00 H new ATOM 554 N ALA A 35 54.487 -2.805 5.432 1.00 0.00 N ATOM 555 CA ALA A 35 55.364 -3.608 4.586 1.00 0.00 C ATOM 556 C ALA A 35 56.755 -2.986 4.485 1.00 0.00 C ATOM 557 O ALA A 35 57.767 -3.689 4.476 1.00 0.00 O ATOM 558 CB ALA A 35 54.762 -3.740 3.186 1.00 0.00 C ATOM 0 H ALA A 35 53.673 -2.417 4.956 1.00 0.00 H new ATOM 0 HA ALA A 35 55.459 -4.594 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 35 55.423 -4.341 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 35 53.787 -4.223 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.646 -2.750 2.745 1.00 0.00 H new ATOM 564 N ALA A 36 56.802 -1.656 4.437 1.00 0.00 N ATOM 565 CA ALA A 36 58.085 -0.965 4.387 1.00 0.00 C ATOM 566 C ALA A 36 58.920 -1.293 5.622 1.00 0.00 C ATOM 567 O ALA A 36 60.136 -1.452 5.531 1.00 0.00 O ATOM 568 CB ALA A 36 57.862 0.546 4.306 1.00 0.00 C ATOM 0 H ALA A 36 55.984 -1.047 4.432 1.00 0.00 H new ATOM 0 HA ALA A 36 58.622 -1.301 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 58.825 1.055 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.292 0.782 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.309 0.880 5.184 1.00 0.00 H new ATOM 574 N ALA A 37 58.260 -1.394 6.775 1.00 0.00 N ATOM 575 CA ALA A 37 58.947 -1.793 7.999 1.00 0.00 C ATOM 576 C ALA A 37 59.499 -3.214 7.903 1.00 0.00 C ATOM 577 O ALA A 37 60.594 -3.494 8.404 1.00 0.00 O ATOM 578 CB ALA A 37 57.985 -1.703 9.185 1.00 0.00 C ATOM 0 H ALA A 37 57.263 -1.207 6.886 1.00 0.00 H new ATOM 0 HA ALA A 37 59.787 -1.113 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 37 58.502 -2.002 10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 37 57.630 -0.678 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 37 57.136 -2.365 9.016 1.00 0.00 H new ATOM 584 N TRP A 38 58.720 -4.103 7.281 1.00 0.00 N ATOM 585 CA TRP A 38 59.151 -5.488 7.086 1.00 0.00 C ATOM 586 C TRP A 38 60.455 -5.584 6.297 1.00 0.00 C ATOM 587 O TRP A 38 61.210 -6.543 6.470 1.00 0.00 O ATOM 588 CB TRP A 38 58.060 -6.294 6.375 1.00 0.00 C ATOM 589 CG TRP A 38 56.966 -6.755 7.284 1.00 0.00 C ATOM 590 CD1 TRP A 38 55.743 -6.185 7.382 1.00 0.00 C ATOM 591 CD2 TRP A 38 56.972 -7.873 8.220 1.00 0.00 C ATOM 592 NE1 TRP A 38 54.998 -6.882 8.315 1.00 0.00 N ATOM 593 CE2 TRP A 38 55.710 -7.930 8.861 1.00 0.00 C ATOM 594 CE3 TRP A 38 57.937 -8.832 8.571 1.00 0.00 C ATOM 595 CZ2 TRP A 38 55.420 -8.907 9.817 1.00 0.00 C ATOM 596 CZ3 TRP A 38 57.649 -9.815 9.530 1.00 0.00 C ATOM 597 CH2 TRP A 38 56.394 -9.853 10.152 1.00 0.00 C ATOM 0 H TRP A 38 57.795 -3.890 6.907 1.00 0.00 H new ATOM 0 HA TRP A 38 59.330 -5.906 8.077 1.00 0.00 H new ATOM 0 HB2 TRP A 38 57.628 -5.684 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 38 58.514 -7.162 5.898 1.00 0.00 H new ATOM 0 HD1 TRP A 38 55.404 -5.326 6.823 1.00 0.00 H new ATOM 0 HE1 TRP A 38 54.038 -6.649 8.569 1.00 0.00 H new ATOM 0 HE3 TRP A 38 58.908 -8.812 8.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 54.451 -8.931 10.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 58.399 -10.547 9.790 1.00 0.00 H new ATOM 0 HH2 TRP A 38 56.179 -10.612 10.889 1.00 0.00 H new