USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 285 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 1 MET CE :methyl -159:sc= -0.167 (180deg=-0.707) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0439 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.362 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 162:sc= -0.115 (180deg=-0.592) USER MOD Single : A 29 ASN : amide:sc= -0.554 K(o=-0.55,f=-1.6) USER MOD Single : A 32 ASN : amide:sc= -2.58! K(o=-2.6!,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0265 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.785 -0.320 3.428 1.00 0.00 N ATOM 2 CA MET A 1 -26.352 -0.032 3.159 1.00 0.00 C ATOM 3 C MET A 1 -26.075 -0.014 1.659 1.00 0.00 C ATOM 4 O MET A 1 -26.759 -0.683 0.883 1.00 0.00 O ATOM 5 CB MET A 1 -25.467 -1.079 3.841 1.00 0.00 C ATOM 6 CG MET A 1 -23.978 -0.810 3.692 1.00 0.00 C ATOM 7 SD MET A 1 -22.963 -2.006 4.583 1.00 0.00 S ATOM 8 CE MET A 1 -23.434 -1.657 6.275 1.00 0.00 C ATOM 0 H1 MET A 1 -28.263 0.552 3.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.236 -0.678 2.562 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.860 -1.036 4.178 1.00 0.00 H new ATOM 0 HA MET A 1 -26.119 0.952 3.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.716 -1.117 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.694 -2.060 3.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.713 -0.831 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.756 0.193 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.660 -2.022 6.951 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.552 -0.581 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.377 -2.155 6.500 1.00 0.00 H new ATOM 20 N THR A 2 -25.067 0.755 1.258 1.00 0.00 N ATOM 21 CA THR A 2 -24.699 0.864 -0.149 1.00 0.00 C ATOM 22 C THR A 2 -23.329 0.260 -0.414 1.00 0.00 C ATOM 23 O THR A 2 -22.343 0.616 0.232 1.00 0.00 O ATOM 24 CB THR A 2 -24.695 2.331 -0.614 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.572 3.200 0.517 1.00 0.00 O ATOM 26 CG2 THR A 2 -25.966 2.663 -1.381 1.00 0.00 C ATOM 0 H THR A 2 -24.490 1.312 1.888 1.00 0.00 H new ATOM 0 HA THR A 2 -25.450 0.309 -0.712 1.00 0.00 H new ATOM 0 HB THR A 2 -23.844 2.476 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.025 4.048 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 2 -25.938 3.705 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 2 -26.041 2.019 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 2 -26.831 2.503 -0.738 1.00 0.00 H new ATOM 34 N PHE A 3 -23.277 -0.655 -1.374 1.00 0.00 N ATOM 35 CA PHE A 3 -22.031 -1.312 -1.738 1.00 0.00 C ATOM 36 C PHE A 3 -21.033 -0.303 -2.294 1.00 0.00 C ATOM 37 O PHE A 3 -19.826 -0.441 -2.105 1.00 0.00 O ATOM 38 CB PHE A 3 -22.290 -2.414 -2.764 1.00 0.00 C ATOM 39 CG PHE A 3 -21.259 -3.501 -2.733 1.00 0.00 C ATOM 40 CD1 PHE A 3 -20.409 -3.706 -3.806 1.00 0.00 C ATOM 41 CD2 PHE A 3 -21.138 -4.314 -1.620 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.456 -4.706 -3.770 1.00 0.00 C ATOM 43 CE2 PHE A 3 -20.188 -5.315 -1.576 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.345 -5.512 -2.653 1.00 0.00 C ATOM 0 H PHE A 3 -24.087 -0.959 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.607 -1.760 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.273 -2.848 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.316 -1.975 -3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -20.491 -3.078 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -21.794 -4.164 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.799 -4.857 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -20.104 -5.943 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.601 -6.294 -2.622 1.00 0.00 H new ATOM 54 N ALA A 4 -21.548 0.711 -2.985 1.00 0.00 N ATOM 55 CA ALA A 4 -20.701 1.745 -3.566 1.00 0.00 C ATOM 56 C ALA A 4 -20.086 2.619 -2.480 1.00 0.00 C ATOM 57 O ALA A 4 -18.901 2.951 -2.534 1.00 0.00 O ATOM 58 CB ALA A 4 -21.500 2.596 -4.540 1.00 0.00 C ATOM 0 H ALA A 4 -22.546 0.837 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.891 1.257 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.855 3.364 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.890 1.965 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.329 3.070 -4.014 1.00 0.00 H new ATOM 64 N GLU A 5 -20.897 2.989 -1.492 1.00 0.00 N ATOM 65 CA GLU A 5 -20.423 3.817 -0.390 1.00 0.00 C ATOM 66 C GLU A 5 -19.392 3.060 0.436 1.00 0.00 C ATOM 67 O GLU A 5 -18.485 3.656 1.017 1.00 0.00 O ATOM 68 CB GLU A 5 -21.592 4.254 0.495 1.00 0.00 C ATOM 69 CG GLU A 5 -22.528 5.245 -0.178 1.00 0.00 C ATOM 70 CD GLU A 5 -21.829 6.533 -0.566 1.00 0.00 C ATOM 71 OE1 GLU A 5 -21.824 7.475 0.254 1.00 0.00 O ATOM 72 OE2 GLU A 5 -21.286 6.599 -1.689 1.00 0.00 O ATOM 0 H GLU A 5 -21.882 2.729 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.952 4.707 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.161 3.373 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.198 4.701 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.958 4.786 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.355 5.473 0.494 1.00 0.00 H new ATOM 79 N LEU A 6 -19.541 1.740 0.482 1.00 0.00 N ATOM 80 CA LEU A 6 -18.617 0.894 1.223 1.00 0.00 C ATOM 81 C LEU A 6 -17.489 0.431 0.312 1.00 0.00 C ATOM 82 O LEU A 6 -16.474 -0.081 0.776 1.00 0.00 O ATOM 83 CB LEU A 6 -19.349 -0.318 1.806 1.00 0.00 C ATOM 84 CG LEU A 6 -18.586 -1.082 2.891 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.530 -1.508 4.004 1.00 0.00 C ATOM 86 CD2 LEU A 6 -17.886 -2.297 2.298 1.00 0.00 C ATOM 0 H LEU A 6 -20.293 1.235 0.014 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.197 1.475 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.300 0.017 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.581 -1.007 0.994 1.00 0.00 H new ATOM 0 HG LEU A 6 -17.830 -0.418 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.972 -2.050 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.990 -0.625 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.306 -2.154 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.349 -2.827 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.626 -2.962 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.181 -1.973 1.532 1.00 0.00 H new ATOM 98 N GLY A 7 -17.674 0.628 -0.990 1.00 0.00 N ATOM 99 CA GLY A 7 -16.668 0.222 -1.953 1.00 0.00 C ATOM 100 C GLY A 7 -15.410 1.062 -1.872 1.00 0.00 C ATOM 101 O GLY A 7 -14.302 0.531 -1.897 1.00 0.00 O ATOM 0 H GLY A 7 -18.504 1.062 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.413 -0.825 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.083 0.293 -2.958 1.00 0.00 H new ATOM 105 N MET A 8 -15.581 2.376 -1.778 1.00 0.00 N ATOM 106 CA MET A 8 -14.447 3.289 -1.695 1.00 0.00 C ATOM 107 C MET A 8 -13.743 3.166 -0.348 1.00 0.00 C ATOM 108 O MET A 8 -12.515 3.175 -0.278 1.00 0.00 O ATOM 109 CB MET A 8 -14.908 4.730 -1.917 1.00 0.00 C ATOM 110 CG MET A 8 -15.462 4.981 -3.309 1.00 0.00 C ATOM 111 SD MET A 8 -14.231 4.723 -4.601 1.00 0.00 S ATOM 112 CE MET A 8 -15.210 5.040 -6.066 1.00 0.00 C ATOM 0 H MET A 8 -16.493 2.832 -1.757 1.00 0.00 H new ATOM 0 HA MET A 8 -13.738 3.018 -2.477 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.673 4.976 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.069 5.403 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.311 4.319 -3.483 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.837 6.003 -3.368 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.587 4.920 -6.953 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.041 4.336 -6.108 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.599 6.058 -6.031 1.00 0.00 H new ATOM 122 N ALA A 9 -14.524 3.056 0.720 1.00 0.00 N ATOM 123 CA ALA A 9 -13.968 2.928 2.061 1.00 0.00 C ATOM 124 C ALA A 9 -13.227 1.605 2.217 1.00 0.00 C ATOM 125 O ALA A 9 -12.141 1.553 2.795 1.00 0.00 O ATOM 126 CB ALA A 9 -15.068 3.048 3.105 1.00 0.00 C ATOM 0 H ALA A 9 -15.543 3.053 0.683 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.254 3.737 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.636 2.950 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.552 4.020 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.805 2.260 2.950 1.00 0.00 H new ATOM 132 N PHE A 10 -13.825 0.538 1.699 1.00 0.00 N ATOM 133 CA PHE A 10 -13.232 -0.793 1.774 1.00 0.00 C ATOM 134 C PHE A 10 -11.994 -0.897 0.884 1.00 0.00 C ATOM 135 O PHE A 10 -10.979 -1.462 1.289 1.00 0.00 O ATOM 136 CB PHE A 10 -14.269 -1.851 1.382 1.00 0.00 C ATOM 137 CG PHE A 10 -13.694 -3.207 1.085 1.00 0.00 C ATOM 138 CD1 PHE A 10 -12.836 -3.829 1.978 1.00 0.00 C ATOM 139 CD2 PHE A 10 -14.018 -3.858 -0.093 1.00 0.00 C ATOM 140 CE1 PHE A 10 -12.311 -5.077 1.700 1.00 0.00 C ATOM 141 CE2 PHE A 10 -13.497 -5.105 -0.377 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.641 -5.715 0.520 1.00 0.00 C ATOM 0 H PHE A 10 -14.725 0.569 1.220 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.916 -0.971 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.995 -1.947 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.813 -1.501 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.575 -3.333 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.686 -3.385 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.644 -5.552 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.758 -5.603 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.231 -6.689 0.299 1.00 0.00 H new ATOM 152 N TRP A 11 -12.082 -0.355 -0.328 1.00 0.00 N ATOM 153 CA TRP A 11 -10.960 -0.399 -1.261 1.00 0.00 C ATOM 154 C TRP A 11 -9.785 0.419 -0.741 1.00 0.00 C ATOM 155 O TRP A 11 -8.636 -0.011 -0.822 1.00 0.00 O ATOM 156 CB TRP A 11 -11.379 0.107 -2.642 1.00 0.00 C ATOM 157 CG TRP A 11 -11.783 -0.992 -3.578 1.00 0.00 C ATOM 158 CD1 TRP A 11 -13.029 -1.223 -4.085 1.00 0.00 C ATOM 159 CD2 TRP A 11 -10.935 -2.013 -4.116 1.00 0.00 C ATOM 160 NE1 TRP A 11 -13.007 -2.321 -4.910 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.733 -2.824 -4.945 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.577 -2.318 -3.979 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.217 -3.920 -5.633 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -9.067 -3.407 -4.661 1.00 0.00 C ATOM 165 CH2 TRP A 11 -9.885 -4.195 -5.480 1.00 0.00 C ATOM 0 H TRP A 11 -12.913 0.117 -0.685 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.646 -1.439 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.210 0.803 -2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.553 0.665 -3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.905 -0.629 -3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.808 -2.700 -5.414 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.938 -1.714 -3.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.845 -4.531 -6.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.020 -3.654 -4.560 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.456 -5.037 -6.002 1.00 0.00 H new ATOM 176 N HIS A 12 -10.079 1.600 -0.210 1.00 0.00 N ATOM 177 CA HIS A 12 -9.044 2.474 0.329 1.00 0.00 C ATOM 178 C HIS A 12 -8.422 1.869 1.583 1.00 0.00 C ATOM 179 O HIS A 12 -7.210 1.948 1.788 1.00 0.00 O ATOM 180 CB HIS A 12 -9.623 3.856 0.643 1.00 0.00 C ATOM 181 CG HIS A 12 -9.926 4.668 -0.577 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.363 4.132 -1.767 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.848 6.009 -0.777 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.532 5.139 -2.635 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.233 6.299 -2.083 1.00 0.00 N ATOM 0 H HIS A 12 -11.025 1.974 -0.141 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.264 2.581 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.537 3.735 1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.917 4.403 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.537 6.735 -0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.869 5.017 -3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.275 7.219 -2.522 1.00 0.00 H new ATOM 193 N ASP A 13 -9.262 1.266 2.422 1.00 0.00 N ATOM 194 CA ASP A 13 -8.797 0.652 3.660 1.00 0.00 C ATOM 195 C ASP A 13 -7.900 -0.548 3.377 1.00 0.00 C ATOM 196 O ASP A 13 -6.869 -0.724 4.022 1.00 0.00 O ATOM 197 CB ASP A 13 -9.988 0.218 4.516 1.00 0.00 C ATOM 198 CG ASP A 13 -9.561 -0.371 5.846 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.423 -1.609 5.930 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.365 0.407 6.804 1.00 0.00 O ATOM 0 H ASP A 13 -10.267 1.190 2.266 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.214 1.396 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.636 1.076 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.576 -0.518 3.968 1.00 0.00 H new ATOM 205 N LEU A 14 -8.300 -1.375 2.415 1.00 0.00 N ATOM 206 CA LEU A 14 -7.515 -2.550 2.051 1.00 0.00 C ATOM 207 C LEU A 14 -6.270 -2.141 1.276 1.00 0.00 C ATOM 208 O LEU A 14 -5.239 -2.806 1.344 1.00 0.00 O ATOM 209 CB LEU A 14 -8.358 -3.544 1.243 1.00 0.00 C ATOM 210 CG LEU A 14 -8.574 -3.201 -0.231 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.442 -3.761 -1.077 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.914 -3.742 -0.707 1.00 0.00 C ATOM 0 H LEU A 14 -9.158 -1.254 1.876 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.200 -3.047 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.883 -4.523 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.334 -3.634 1.721 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.580 -2.116 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.611 -3.508 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.495 -3.332 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.407 -4.845 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.055 -3.491 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.932 -4.825 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.716 -3.298 -0.117 1.00 0.00 H new ATOM 224 N ALA A 15 -6.378 -1.042 0.538 1.00 0.00 N ATOM 225 CA ALA A 15 -5.268 -0.537 -0.260 1.00 0.00 C ATOM 226 C ALA A 15 -4.159 0.028 0.619 1.00 0.00 C ATOM 227 O ALA A 15 -2.984 -0.068 0.278 1.00 0.00 O ATOM 228 CB ALA A 15 -5.753 0.518 -1.239 1.00 0.00 C ATOM 0 H ALA A 15 -7.228 -0.481 0.476 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.856 -1.376 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.911 0.884 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.498 0.082 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.199 1.347 -0.689 1.00 0.00 H new ATOM 234 N ALA A 16 -4.538 0.633 1.742 1.00 0.00 N ATOM 235 CA ALA A 16 -3.566 1.225 2.657 1.00 0.00 C ATOM 236 C ALA A 16 -2.415 0.259 2.971 1.00 0.00 C ATOM 237 O ALA A 16 -1.251 0.603 2.766 1.00 0.00 O ATOM 238 CB ALA A 16 -4.250 1.700 3.934 1.00 0.00 C ATOM 0 H ALA A 16 -5.509 0.726 2.040 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.130 2.091 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.509 2.138 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.003 2.449 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.728 0.854 4.427 1.00 0.00 H new ATOM 244 N PRO A 17 -2.710 -0.963 3.471 1.00 0.00 N ATOM 245 CA PRO A 17 -1.669 -1.948 3.789 1.00 0.00 C ATOM 246 C PRO A 17 -1.043 -2.563 2.539 1.00 0.00 C ATOM 247 O PRO A 17 0.101 -3.016 2.568 1.00 0.00 O ATOM 248 CB PRO A 17 -2.425 -3.014 4.584 1.00 0.00 C ATOM 249 CG PRO A 17 -3.830 -2.923 4.105 1.00 0.00 C ATOM 250 CD PRO A 17 -4.061 -1.476 3.779 1.00 0.00 C ATOM 0 HA PRO A 17 -0.836 -1.498 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.011 -4.007 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.360 -2.828 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.985 -3.551 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.526 -3.267 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.736 -1.360 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.509 -0.944 4.618 1.00 0.00 H new ATOM 258 N VAL A 18 -1.799 -2.575 1.444 1.00 0.00 N ATOM 259 CA VAL A 18 -1.313 -3.136 0.187 1.00 0.00 C ATOM 260 C VAL A 18 -0.208 -2.266 -0.406 1.00 0.00 C ATOM 261 O VAL A 18 0.855 -2.760 -0.781 1.00 0.00 O ATOM 262 CB VAL A 18 -2.459 -3.280 -0.840 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.915 -3.627 -2.219 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.461 -4.330 -0.382 1.00 0.00 C ATOM 0 H VAL A 18 -2.748 -2.204 1.402 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.911 -4.125 0.407 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.971 -2.320 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.742 -3.723 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.243 -2.837 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.371 -4.570 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.260 -4.416 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.958 -5.292 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.883 -4.035 0.579 1.00 0.00 H new ATOM 274 N ILE A 19 -0.471 -0.967 -0.480 1.00 0.00 N ATOM 275 CA ILE A 19 0.487 -0.010 -1.018 1.00 0.00 C ATOM 276 C ILE A 19 1.669 0.169 -0.073 1.00 0.00 C ATOM 277 O ILE A 19 2.822 0.199 -0.502 1.00 0.00 O ATOM 278 CB ILE A 19 -0.180 1.358 -1.260 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.374 1.204 -2.205 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.827 2.351 -1.824 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.393 2.315 -2.077 1.00 0.00 C ATOM 0 H ILE A 19 -1.349 -0.550 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 19 0.846 -0.407 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.540 1.744 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.012 1.171 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.862 0.250 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.338 3.311 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.648 2.478 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.217 1.976 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.211 2.141 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.783 2.335 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.920 3.271 -2.303 1.00 0.00 H new ATOM 293 N ALA A 20 1.371 0.290 1.217 1.00 0.00 N ATOM 294 CA ALA A 20 2.404 0.470 2.229 1.00 0.00 C ATOM 295 C ALA A 20 3.305 -0.756 2.319 1.00 0.00 C ATOM 296 O ALA A 20 4.510 -0.636 2.542 1.00 0.00 O ATOM 297 CB ALA A 20 1.771 0.764 3.581 1.00 0.00 C ATOM 0 H ALA A 20 0.420 0.266 1.586 1.00 0.00 H new ATOM 0 HA ALA A 20 3.021 1.319 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.554 0.896 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.176 1.675 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.129 -0.068 3.871 1.00 0.00 H new ATOM 303 N GLY A 21 2.715 -1.935 2.142 1.00 0.00 N ATOM 304 CA GLY A 21 3.484 -3.166 2.206 1.00 0.00 C ATOM 305 C GLY A 21 4.464 -3.292 1.058 1.00 0.00 C ATOM 306 O GLY A 21 5.625 -3.650 1.259 1.00 0.00 O ATOM 0 H GLY A 21 1.720 -2.060 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.027 -3.204 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.804 -4.018 2.195 1.00 0.00 H new ATOM 310 N ILE A 22 3.993 -3.000 -0.150 1.00 0.00 N ATOM 311 CA ILE A 22 4.834 -3.072 -1.338 1.00 0.00 C ATOM 312 C ILE A 22 5.903 -1.983 -1.306 1.00 0.00 C ATOM 313 O ILE A 22 7.039 -2.198 -1.733 1.00 0.00 O ATOM 314 CB ILE A 22 3.997 -2.930 -2.626 1.00 0.00 C ATOM 315 CG1 ILE A 22 2.979 -4.070 -2.724 1.00 0.00 C ATOM 316 CG2 ILE A 22 4.901 -2.914 -3.851 1.00 0.00 C ATOM 317 CD1 ILE A 22 1.968 -3.888 -3.837 1.00 0.00 C ATOM 0 H ILE A 22 3.032 -2.711 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 22 5.314 -4.051 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 22 3.457 -1.984 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.511 -5.009 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.450 -4.156 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.293 -2.813 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.591 -2.073 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.467 -3.844 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.280 -4.733 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.409 -2.967 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.487 -3.833 -4.794 1.00 0.00 H new ATOM 329 N LEU A 23 5.529 -0.815 -0.793 1.00 0.00 N ATOM 330 CA LEU A 23 6.448 0.314 -0.697 1.00 0.00 C ATOM 331 C LEU A 23 7.585 0.006 0.270 1.00 0.00 C ATOM 332 O LEU A 23 8.719 0.438 0.068 1.00 0.00 O ATOM 333 CB LEU A 23 5.700 1.570 -0.238 1.00 0.00 C ATOM 334 CG LEU A 23 6.584 2.781 0.074 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.350 3.222 -1.165 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.745 3.927 0.617 1.00 0.00 C ATOM 0 H LEU A 23 4.592 -0.625 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 23 6.872 0.492 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.987 1.852 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.122 1.324 0.653 1.00 0.00 H new ATOM 0 HG LEU A 23 7.306 2.489 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.972 4.083 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.982 2.405 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.645 3.494 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.389 4.779 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.999 4.215 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.244 3.610 1.532 1.00 0.00 H new ATOM 348 N ALA A 24 7.272 -0.743 1.323 1.00 0.00 N ATOM 349 CA ALA A 24 8.267 -1.108 2.324 1.00 0.00 C ATOM 350 C ALA A 24 9.422 -1.880 1.695 1.00 0.00 C ATOM 351 O ALA A 24 10.589 -1.590 1.955 1.00 0.00 O ATOM 352 CB ALA A 24 7.621 -1.926 3.432 1.00 0.00 C ATOM 0 H ALA A 24 6.337 -1.109 1.505 1.00 0.00 H new ATOM 0 HA ALA A 24 8.671 -0.191 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.374 -2.193 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.836 -1.338 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.190 -2.834 3.010 1.00 0.00 H new ATOM 358 N SER A 25 9.088 -2.861 0.862 1.00 0.00 N ATOM 359 CA SER A 25 10.097 -3.677 0.195 1.00 0.00 C ATOM 360 C SER A 25 10.972 -2.823 -0.717 1.00 0.00 C ATOM 361 O SER A 25 12.179 -3.040 -0.814 1.00 0.00 O ATOM 362 CB SER A 25 9.430 -4.790 -0.616 1.00 0.00 C ATOM 363 OG SER A 25 8.681 -5.654 0.221 1.00 0.00 O ATOM 0 H SER A 25 8.126 -3.110 0.633 1.00 0.00 H new ATOM 0 HA SER A 25 10.730 -4.125 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.776 -4.352 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.190 -5.363 -1.147 1.00 0.00 H new ATOM 0 HG SER A 25 8.264 -6.355 -0.322 1.00 0.00 H new ATOM 369 N MET A 26 10.356 -1.850 -1.382 1.00 0.00 N ATOM 370 CA MET A 26 11.080 -0.963 -2.287 1.00 0.00 C ATOM 371 C MET A 26 12.092 -0.111 -1.528 1.00 0.00 C ATOM 372 O MET A 26 13.253 -0.009 -1.923 1.00 0.00 O ATOM 373 CB MET A 26 10.100 -0.057 -3.035 1.00 0.00 C ATOM 374 CG MET A 26 9.159 -0.810 -3.961 1.00 0.00 C ATOM 375 SD MET A 26 7.924 0.262 -4.724 1.00 0.00 S ATOM 376 CE MET A 26 8.974 1.433 -5.581 1.00 0.00 C ATOM 0 H MET A 26 9.357 -1.656 -1.311 1.00 0.00 H new ATOM 0 HA MET A 26 11.619 -1.582 -3.004 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.511 0.503 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.664 0.671 -3.618 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.740 -1.300 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.654 -1.595 -3.398 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.393 1.953 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.368 2.157 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.800 0.902 -6.054 1.00 0.00 H new ATOM 386 N ILE A 27 11.640 0.498 -0.437 1.00 0.00 N ATOM 387 CA ILE A 27 12.500 1.345 0.380 1.00 0.00 C ATOM 388 C ILE A 27 13.685 0.560 0.934 1.00 0.00 C ATOM 389 O ILE A 27 14.817 1.043 0.921 1.00 0.00 O ATOM 390 CB ILE A 27 11.716 1.976 1.548 1.00 0.00 C ATOM 391 CG1 ILE A 27 10.563 2.826 1.007 1.00 0.00 C ATOM 392 CG2 ILE A 27 12.641 2.816 2.420 1.00 0.00 C ATOM 393 CD1 ILE A 27 9.648 3.370 2.084 1.00 0.00 C ATOM 0 H ILE A 27 10.681 0.420 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 27 12.872 2.139 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 27 11.301 1.178 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.974 3.659 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.975 2.225 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.071 3.254 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.432 2.185 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.083 3.612 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.856 3.961 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.207 2.542 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.221 3.999 2.765 1.00 0.00 H new ATOM 405 N VAL A 28 13.421 -0.651 1.420 1.00 0.00 N ATOM 406 CA VAL A 28 14.477 -1.494 1.970 1.00 0.00 C ATOM 407 C VAL A 28 15.479 -1.885 0.888 1.00 0.00 C ATOM 408 O VAL A 28 16.689 -1.856 1.111 1.00 0.00 O ATOM 409 CB VAL A 28 13.905 -2.771 2.617 1.00 0.00 C ATOM 410 CG1 VAL A 28 15.028 -3.679 3.100 1.00 0.00 C ATOM 411 CG2 VAL A 28 12.974 -2.414 3.765 1.00 0.00 C ATOM 0 H VAL A 28 12.490 -1.068 1.444 1.00 0.00 H new ATOM 0 HA VAL A 28 14.982 -0.909 2.739 1.00 0.00 H new ATOM 0 HB VAL A 28 13.332 -3.310 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.603 -4.574 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.655 -3.963 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.631 -3.150 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.579 -3.327 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.525 -1.851 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.150 -1.807 3.390 1.00 0.00 H new ATOM 421 N ASN A 29 14.964 -2.248 -0.283 1.00 0.00 N ATOM 422 CA ASN A 29 15.813 -2.640 -1.403 1.00 0.00 C ATOM 423 C ASN A 29 16.754 -1.504 -1.789 1.00 0.00 C ATOM 424 O ASN A 29 17.925 -1.730 -2.096 1.00 0.00 O ATOM 425 CB ASN A 29 14.956 -3.042 -2.605 1.00 0.00 C ATOM 426 CG ASN A 29 14.242 -4.362 -2.390 1.00 0.00 C ATOM 427 OD1 ASN A 29 14.723 -5.231 -1.663 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.088 -4.520 -3.027 1.00 0.00 N ATOM 0 H ASN A 29 13.964 -2.279 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 29 16.412 -3.497 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.220 -2.262 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.588 -3.114 -3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.563 -5.388 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.726 -3.773 -3.620 1.00 0.00 H new ATOM 435 N TRP A 30 16.230 -0.283 -1.768 1.00 0.00 N ATOM 436 CA TRP A 30 17.016 0.898 -2.104 1.00 0.00 C ATOM 437 C TRP A 30 18.138 1.101 -1.089 1.00 0.00 C ATOM 438 O TRP A 30 19.289 1.331 -1.460 1.00 0.00 O ATOM 439 CB TRP A 30 16.104 2.130 -2.163 1.00 0.00 C ATOM 440 CG TRP A 30 16.808 3.431 -1.914 1.00 0.00 C ATOM 441 CD1 TRP A 30 17.792 3.997 -2.673 1.00 0.00 C ATOM 442 CD2 TRP A 30 16.571 4.332 -0.827 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.185 5.192 -2.120 1.00 0.00 N ATOM 444 CE2 TRP A 30 17.448 5.420 -0.987 1.00 0.00 C ATOM 445 CE3 TRP A 30 15.700 4.322 0.266 1.00 0.00 C ATOM 446 CZ2 TRP A 30 17.480 6.488 -0.093 1.00 0.00 C ATOM 447 CZ3 TRP A 30 15.732 5.381 1.153 1.00 0.00 C ATOM 448 CH2 TRP A 30 16.616 6.452 0.969 1.00 0.00 C ATOM 0 H TRP A 30 15.260 -0.085 -1.521 1.00 0.00 H new ATOM 0 HA TRP A 30 17.472 0.754 -3.084 1.00 0.00 H new ATOM 0 HB2 TRP A 30 15.629 2.169 -3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.308 2.014 -1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.201 3.568 -3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.907 5.809 -2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.014 3.501 0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 18.161 7.314 -0.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.065 5.383 2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.616 7.266 1.679 1.00 0.00 H new ATOM 459 N LEU A 31 17.794 1.014 0.192 1.00 0.00 N ATOM 460 CA LEU A 31 18.771 1.185 1.262 1.00 0.00 C ATOM 461 C LEU A 31 19.838 0.094 1.215 1.00 0.00 C ATOM 462 O LEU A 31 20.986 0.320 1.597 1.00 0.00 O ATOM 463 CB LEU A 31 18.076 1.187 2.620 1.00 0.00 C ATOM 464 CG LEU A 31 17.354 2.488 2.963 1.00 0.00 C ATOM 465 CD1 LEU A 31 16.305 2.247 4.032 1.00 0.00 C ATOM 466 CD2 LEU A 31 18.350 3.543 3.422 1.00 0.00 C ATOM 0 H LEU A 31 16.845 0.826 0.515 1.00 0.00 H new ATOM 0 HA LEU A 31 19.264 2.146 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.356 0.369 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.817 0.983 3.393 1.00 0.00 H new ATOM 0 HG LEU A 31 16.854 2.853 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.800 3.185 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.576 1.522 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 16.784 1.860 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 31 17.819 4.464 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.876 3.186 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.069 3.736 2.626 1.00 0.00 H new ATOM 478 N ASN A 32 19.451 -1.091 0.746 1.00 0.00 N ATOM 479 CA ASN A 32 20.381 -2.212 0.647 1.00 0.00 C ATOM 480 C ASN A 32 21.444 -1.929 -0.407 1.00 0.00 C ATOM 481 O ASN A 32 22.529 -2.510 -0.384 1.00 0.00 O ATOM 482 CB ASN A 32 19.635 -3.502 0.301 1.00 0.00 C ATOM 483 CG ASN A 32 18.704 -3.950 1.410 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.963 -3.710 2.589 1.00 0.00 O ATOM 485 ND2 ASN A 32 17.613 -4.608 1.036 1.00 0.00 N ATOM 0 H ASN A 32 18.504 -1.298 0.430 1.00 0.00 H new ATOM 0 HA ASN A 32 20.867 -2.338 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.060 -3.351 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.358 -4.292 0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.950 -4.937 1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.438 -4.785 0.047 1.00 0.00 H new ATOM 492 N LYS A 33 21.118 -1.031 -1.331 1.00 0.00 N ATOM 493 CA LYS A 33 22.037 -0.658 -2.398 1.00 0.00 C ATOM 494 C LYS A 33 23.031 0.391 -1.908 1.00 0.00 C ATOM 495 O LYS A 33 24.140 0.503 -2.432 1.00 0.00 O ATOM 496 CB LYS A 33 21.251 -0.129 -3.605 1.00 0.00 C ATOM 497 CG LYS A 33 22.124 0.445 -4.712 1.00 0.00 C ATOM 498 CD LYS A 33 22.332 1.942 -4.538 1.00 0.00 C ATOM 499 CE LYS A 33 23.443 2.462 -5.434 1.00 0.00 C ATOM 500 NZ LYS A 33 23.835 3.853 -5.075 1.00 0.00 N ATOM 0 H LYS A 33 20.221 -0.547 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 33 22.597 -1.542 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.648 -0.939 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.560 0.642 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.090 -0.060 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.661 0.251 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.405 2.467 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.573 2.158 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.311 1.807 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.116 2.433 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.595 4.174 -5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.013 4.482 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.171 3.876 -4.091 1.00 0.00 H new ATOM 514 N ARG A 34 22.626 1.159 -0.901 1.00 0.00 N ATOM 515 CA ARG A 34 23.481 2.202 -0.346 1.00 0.00 C ATOM 516 C ARG A 34 24.624 1.602 0.468 1.00 0.00 C ATOM 517 O ARG A 34 25.626 2.268 0.728 1.00 0.00 O ATOM 518 CB ARG A 34 22.667 3.153 0.535 1.00 0.00 C ATOM 519 CG ARG A 34 21.333 3.567 -0.065 1.00 0.00 C ATOM 520 CD ARG A 34 20.846 4.881 0.526 1.00 0.00 C ATOM 521 NE ARG A 34 20.875 4.865 1.986 1.00 0.00 N ATOM 522 CZ ARG A 34 21.075 5.948 2.732 1.00 0.00 C ATOM 523 NH1 ARG A 34 21.260 7.128 2.155 1.00 0.00 N ATOM 524 NH2 ARG A 34 21.091 5.851 4.055 1.00 0.00 N ATOM 0 H ARG A 34 21.713 1.079 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 34 23.904 2.760 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 34 22.487 2.675 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 34 23.259 4.047 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.433 3.667 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.593 2.788 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.469 5.697 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 34 19.830 5.078 0.185 1.00 0.00 H new ATOM 0 HE ARG A 34 20.734 3.973 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.249 7.206 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.413 7.958 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 34 20.950 4.945 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 34 21.245 6.682 4.626 1.00 0.00 H new ATOM 538 N LYS A 35 24.465 0.341 0.868 1.00 0.00 N ATOM 539 CA LYS A 35 25.480 -0.351 1.660 1.00 0.00 C ATOM 540 C LYS A 35 25.771 0.402 2.955 1.00 0.00 C ATOM 541 O LYS A 35 26.699 1.238 2.959 1.00 0.00 O ATOM 542 CB LYS A 35 26.771 -0.523 0.852 1.00 0.00 C ATOM 543 CG LYS A 35 26.787 -1.771 -0.018 1.00 0.00 C ATOM 544 CD LYS A 35 25.751 -1.696 -1.128 1.00 0.00 C ATOM 545 CE LYS A 35 25.735 -2.969 -1.959 1.00 0.00 C ATOM 546 NZ LYS A 35 27.053 -3.227 -2.603 1.00 0.00 N ATOM 547 OXT LYS A 35 25.068 0.148 3.955 1.00 0.00 O ATOM 0 H LYS A 35 23.642 -0.223 0.656 1.00 0.00 H new ATOM 0 HA LYS A 35 25.090 -1.336 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.912 0.353 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 35 27.617 -0.559 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 35 27.778 -1.898 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.595 -2.648 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.764 -1.529 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.966 -0.843 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 35 25.469 -3.814 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 24.965 -2.892 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 26.950 -3.978 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 27.391 -2.358 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 27.740 -3.525 -1.881 1.00 0.00 H new TER 561 LYS A 35