USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 284 hydrogens (8 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 NoAdj-H: A 34 GMA H2 : A 34 GMA N : A 33 ILE C :(H bumps) USER MOD NoAdj-H: A 34 GMA H : A 34 GMA N : A 33 ILE C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.0756 K(o=0.076,f=-2.9!) USER MOD Single : A 4 ASN : amide:sc= -0.0941 K(o=-0.094,f=-2!) USER MOD Single : A 6 THR OG1 : rot -148:sc= 0.624 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -170:sc=-0.00337 (180deg=-0.153) USER MOD Single : A 34 GMA OE2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.383 -22.977 -4.268 1.00 0.00 N ATOM 2 CA MET A 1 -1.681 -22.866 -4.920 1.00 0.00 C ATOM 3 C MET A 1 -2.696 -23.790 -4.220 1.00 0.00 C ATOM 4 O MET A 1 -2.673 -25.005 -4.418 1.00 0.00 O ATOM 5 CB MET A 1 -1.528 -23.179 -6.424 1.00 0.00 C ATOM 6 CG MET A 1 -2.846 -23.036 -7.204 1.00 0.00 C ATOM 7 SD MET A 1 -3.588 -21.380 -7.219 1.00 0.00 S ATOM 8 CE MET A 1 -5.122 -21.731 -8.105 1.00 0.00 C ATOM 0 H1 MET A 1 0.299 -22.352 -4.743 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.471 -22.698 -3.270 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.049 -23.960 -4.325 1.00 0.00 H new ATOM 0 HA MET A 1 -2.064 -21.849 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.783 -22.510 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.151 -24.195 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.670 -23.342 -8.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.571 -23.733 -6.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.703 -20.814 -8.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.889 -22.121 -9.096 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.701 -22.470 -7.551 1.00 0.00 H new ATOM 19 N ASN A 2 -3.594 -23.215 -3.405 1.00 0.00 N ATOM 20 CA ASN A 2 -4.614 -23.942 -2.640 1.00 0.00 C ATOM 21 C ASN A 2 -5.735 -22.986 -2.190 1.00 0.00 C ATOM 22 O ASN A 2 -5.495 -21.791 -2.015 1.00 0.00 O ATOM 23 CB ASN A 2 -3.947 -24.642 -1.435 1.00 0.00 C ATOM 24 CG ASN A 2 -4.889 -25.553 -0.641 1.00 0.00 C ATOM 25 OD1 ASN A 2 -5.922 -25.993 -1.135 1.00 0.00 O ATOM 26 ND2 ASN A 2 -4.549 -25.843 0.611 1.00 0.00 N ATOM 0 H ASN A 2 -3.630 -22.206 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.072 -24.703 -3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.104 -25.233 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.543 -23.883 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.151 -26.440 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.686 -25.468 1.005 1.00 0.00 H new ATOM 33 N LEU A 3 -6.947 -23.513 -1.948 1.00 0.00 N ATOM 34 CA LEU A 3 -8.135 -22.757 -1.518 1.00 0.00 C ATOM 35 C LEU A 3 -8.061 -22.404 -0.011 1.00 0.00 C ATOM 36 O LEU A 3 -8.967 -22.682 0.771 1.00 0.00 O ATOM 37 CB LEU A 3 -9.411 -23.535 -1.923 1.00 0.00 C ATOM 38 CG LEU A 3 -10.618 -22.638 -2.276 1.00 0.00 C ATOM 39 CD1 LEU A 3 -11.779 -23.514 -2.773 1.00 0.00 C ATOM 40 CD2 LEU A 3 -11.106 -21.767 -1.109 1.00 0.00 C ATOM 0 H LEU A 3 -7.133 -24.511 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.172 -21.795 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.180 -24.167 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.693 -24.198 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.277 -21.955 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.631 -22.882 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.465 -24.066 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.065 -24.217 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.955 -21.166 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.410 -22.406 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.300 -21.110 -0.783 1.00 0.00 H new ATOM 52 N ASN A 4 -6.940 -21.787 0.378 1.00 0.00 N ATOM 53 CA ASN A 4 -6.550 -21.338 1.705 1.00 0.00 C ATOM 54 C ASN A 4 -5.330 -20.412 1.532 1.00 0.00 C ATOM 55 O ASN A 4 -5.453 -19.195 1.641 1.00 0.00 O ATOM 56 CB ASN A 4 -6.258 -22.574 2.577 1.00 0.00 C ATOM 57 CG ASN A 4 -5.951 -22.245 4.039 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.757 -21.094 4.412 1.00 0.00 O ATOM 59 ND2 ASN A 4 -5.889 -23.264 4.891 1.00 0.00 N ATOM 0 H ASN A 4 -6.214 -21.571 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.335 -20.776 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.117 -23.244 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.413 -23.115 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.677 -23.095 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.054 -24.215 4.561 1.00 0.00 H new ATOM 66 N ALA A 5 -4.170 -20.992 1.182 1.00 0.00 N ATOM 67 CA ALA A 5 -2.910 -20.294 0.910 1.00 0.00 C ATOM 68 C ALA A 5 -3.030 -19.226 -0.189 1.00 0.00 C ATOM 69 O ALA A 5 -2.425 -18.163 -0.075 1.00 0.00 O ATOM 70 CB ALA A 5 -1.827 -21.323 0.561 1.00 0.00 C ATOM 0 H ALA A 5 -4.085 -22.003 1.077 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.633 -19.753 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.888 -20.808 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.692 -22.007 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.131 -21.886 -0.322 1.00 0.00 H new ATOM 76 N THR A 6 -3.819 -19.484 -1.241 1.00 0.00 N ATOM 77 CA THR A 6 -4.086 -18.508 -2.303 1.00 0.00 C ATOM 78 C THR A 6 -4.941 -17.324 -1.810 1.00 0.00 C ATOM 79 O THR A 6 -4.744 -16.203 -2.269 1.00 0.00 O ATOM 80 CB THR A 6 -4.732 -19.201 -3.523 1.00 0.00 C ATOM 81 OG1 THR A 6 -3.938 -20.298 -3.938 1.00 0.00 O ATOM 82 CG2 THR A 6 -4.886 -18.255 -4.722 1.00 0.00 C ATOM 0 H THR A 6 -4.291 -20.378 -1.378 1.00 0.00 H new ATOM 0 HA THR A 6 -3.128 -18.089 -2.611 1.00 0.00 H new ATOM 0 HB THR A 6 -5.721 -19.528 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.018 -20.411 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.345 -18.792 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.517 -17.412 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.905 -17.889 -5.025 1.00 0.00 H new ATOM 90 N ILE A 7 -5.874 -17.546 -0.870 1.00 0.00 N ATOM 91 CA ILE A 7 -6.796 -16.518 -0.364 1.00 0.00 C ATOM 92 C ILE A 7 -6.047 -15.657 0.665 1.00 0.00 C ATOM 93 O ILE A 7 -6.052 -14.429 0.593 1.00 0.00 O ATOM 94 CB ILE A 7 -8.075 -17.176 0.213 1.00 0.00 C ATOM 95 CG1 ILE A 7 -9.019 -17.723 -0.883 1.00 0.00 C ATOM 96 CG2 ILE A 7 -8.889 -16.181 1.063 1.00 0.00 C ATOM 97 CD1 ILE A 7 -8.402 -18.785 -1.800 1.00 0.00 C ATOM 0 H ILE A 7 -6.010 -18.458 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.130 -15.866 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.713 -18.003 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.901 -18.147 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.360 -16.889 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.779 -16.677 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.278 -15.828 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.186 -15.333 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.141 -19.106 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.538 -18.364 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.087 -19.642 -1.204 1.00 0.00 H new ATOM 109 N LEU A 8 -5.348 -16.327 1.585 1.00 0.00 N ATOM 110 CA LEU A 8 -4.308 -15.786 2.451 1.00 0.00 C ATOM 111 C LEU A 8 -3.324 -14.906 1.656 1.00 0.00 C ATOM 112 O LEU A 8 -3.148 -13.733 1.977 1.00 0.00 O ATOM 113 CB LEU A 8 -3.637 -16.991 3.136 1.00 0.00 C ATOM 114 CG LEU A 8 -2.682 -16.670 4.305 1.00 0.00 C ATOM 115 CD1 LEU A 8 -2.431 -17.953 5.113 1.00 0.00 C ATOM 116 CD2 LEU A 8 -1.327 -16.111 3.842 1.00 0.00 C ATOM 0 H LEU A 8 -5.506 -17.321 1.752 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.720 -15.121 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.420 -17.653 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.080 -17.546 2.382 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.164 -15.901 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.757 -17.735 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.377 -18.328 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.981 -18.707 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.702 -15.906 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.831 -16.842 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.486 -15.189 3.283 1.00 0.00 H new ATOM 128 N GLY A 9 -2.701 -15.445 0.597 1.00 0.00 N ATOM 129 CA GLY A 9 -1.739 -14.713 -0.223 1.00 0.00 C ATOM 130 C GLY A 9 -2.358 -13.567 -1.053 1.00 0.00 C ATOM 131 O GLY A 9 -1.711 -12.545 -1.272 1.00 0.00 O ATOM 0 H GLY A 9 -2.855 -16.405 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.966 -14.301 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.248 -15.413 -0.900 1.00 0.00 H new ATOM 135 N GLN A 10 -3.623 -13.688 -1.483 1.00 0.00 N ATOM 136 CA GLN A 10 -4.404 -12.572 -2.021 1.00 0.00 C ATOM 137 C GLN A 10 -4.594 -11.460 -0.965 1.00 0.00 C ATOM 138 O GLN A 10 -4.396 -10.282 -1.260 1.00 0.00 O ATOM 139 CB GLN A 10 -5.740 -13.111 -2.556 1.00 0.00 C ATOM 140 CG GLN A 10 -5.579 -13.741 -3.954 1.00 0.00 C ATOM 141 CD GLN A 10 -6.786 -14.571 -4.402 1.00 0.00 C ATOM 142 OE1 GLN A 10 -7.737 -14.790 -3.659 1.00 0.00 O ATOM 143 NE2 GLN A 10 -6.761 -15.053 -5.642 1.00 0.00 N ATOM 0 H GLN A 10 -4.133 -14.571 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.864 -12.110 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.136 -13.855 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.467 -12.300 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.405 -12.948 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.693 -14.376 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.963 -14.862 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.540 -15.614 -5.987 1.00 0.00 H new ATOM 152 N ALA A 11 -4.924 -11.826 0.283 1.00 0.00 N ATOM 153 CA ALA A 11 -4.956 -10.893 1.409 1.00 0.00 C ATOM 154 C ALA A 11 -3.570 -10.300 1.733 1.00 0.00 C ATOM 155 O ALA A 11 -3.491 -9.138 2.120 1.00 0.00 O ATOM 156 CB ALA A 11 -5.606 -11.555 2.633 1.00 0.00 C ATOM 0 H ALA A 11 -5.176 -12.781 0.536 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.573 -10.044 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.623 -10.848 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.626 -11.851 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.031 -12.436 2.918 1.00 0.00 H new ATOM 162 N ILE A 12 -2.473 -11.046 1.526 1.00 0.00 N ATOM 163 CA ILE A 12 -1.101 -10.526 1.603 1.00 0.00 C ATOM 164 C ILE A 12 -0.875 -9.447 0.543 1.00 0.00 C ATOM 165 O ILE A 12 -0.421 -8.355 0.872 1.00 0.00 O ATOM 166 CB ILE A 12 -0.066 -11.670 1.478 1.00 0.00 C ATOM 167 CG1 ILE A 12 -0.016 -12.520 2.759 1.00 0.00 C ATOM 168 CG2 ILE A 12 1.345 -11.197 1.087 1.00 0.00 C ATOM 169 CD1 ILE A 12 0.759 -11.820 3.876 1.00 0.00 C ATOM 0 H ILE A 12 -2.516 -12.039 1.298 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.962 -10.067 2.582 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.418 -12.289 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.031 -12.728 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.450 -13.480 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.011 -12.057 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.305 -10.693 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.719 -10.506 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.771 -12.453 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.782 -11.635 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.277 -10.872 4.114 1.00 0.00 H new ATOM 181 N ALA A 13 -1.210 -9.739 -0.721 1.00 0.00 N ATOM 182 CA ALA A 13 -1.141 -8.785 -1.822 1.00 0.00 C ATOM 183 C ALA A 13 -1.888 -7.484 -1.476 1.00 0.00 C ATOM 184 O ALA A 13 -1.340 -6.395 -1.640 1.00 0.00 O ATOM 185 CB ALA A 13 -1.674 -9.447 -3.099 1.00 0.00 C ATOM 0 H ALA A 13 -1.541 -10.661 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.103 -8.501 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.624 -8.737 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.068 -10.322 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.709 -9.753 -2.945 1.00 0.00 H new ATOM 191 N PHE A 14 -3.109 -7.605 -0.931 1.00 0.00 N ATOM 192 CA PHE A 14 -3.900 -6.471 -0.450 1.00 0.00 C ATOM 193 C PHE A 14 -3.209 -5.705 0.700 1.00 0.00 C ATOM 194 O PHE A 14 -2.956 -4.508 0.581 1.00 0.00 O ATOM 195 CB PHE A 14 -5.307 -6.956 -0.057 1.00 0.00 C ATOM 196 CG PHE A 14 -6.236 -5.849 0.417 1.00 0.00 C ATOM 197 CD1 PHE A 14 -6.761 -4.923 -0.514 1.00 0.00 C ATOM 198 CD2 PHE A 14 -6.529 -5.700 1.792 1.00 0.00 C ATOM 199 CE1 PHE A 14 -7.589 -3.869 -0.075 1.00 0.00 C ATOM 200 CE2 PHE A 14 -7.362 -4.648 2.230 1.00 0.00 C ATOM 201 CZ PHE A 14 -7.894 -3.734 1.297 1.00 0.00 C ATOM 0 H PHE A 14 -3.576 -8.504 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.989 -5.751 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.760 -7.454 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.215 -7.701 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.527 -5.023 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.114 -6.393 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.990 -3.165 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.592 -4.543 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.534 -2.931 1.632 1.00 0.00 H new ATOM 211 N VAL A 15 -2.901 -6.381 1.816 1.00 0.00 N ATOM 212 CA VAL A 15 -2.357 -5.771 3.034 1.00 0.00 C ATOM 213 C VAL A 15 -0.982 -5.138 2.776 1.00 0.00 C ATOM 214 O VAL A 15 -0.778 -3.975 3.118 1.00 0.00 O ATOM 215 CB VAL A 15 -2.338 -6.792 4.195 1.00 0.00 C ATOM 216 CG1 VAL A 15 -1.568 -6.267 5.420 1.00 0.00 C ATOM 217 CG2 VAL A 15 -3.771 -7.130 4.643 1.00 0.00 C ATOM 0 H VAL A 15 -3.027 -7.390 1.897 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.015 -4.957 3.337 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.835 -7.680 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.583 -7.019 6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.536 -6.056 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.039 -5.353 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.736 -7.850 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.271 -6.222 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.322 -7.558 3.806 1.00 0.00 H new ATOM 227 N LEU A 16 -0.049 -5.873 2.153 1.00 0.00 N ATOM 228 CA LEU A 16 1.240 -5.317 1.723 1.00 0.00 C ATOM 229 C LEU A 16 1.078 -4.016 0.908 1.00 0.00 C ATOM 230 O LEU A 16 1.753 -3.031 1.205 1.00 0.00 O ATOM 231 CB LEU A 16 2.086 -6.351 0.961 1.00 0.00 C ATOM 232 CG LEU A 16 2.621 -7.505 1.836 1.00 0.00 C ATOM 233 CD1 LEU A 16 3.389 -8.475 0.924 1.00 0.00 C ATOM 234 CD2 LEU A 16 3.571 -7.028 2.948 1.00 0.00 C ATOM 0 H LEU A 16 -0.166 -6.862 1.935 1.00 0.00 H new ATOM 0 HA LEU A 16 1.780 -5.057 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.485 -6.771 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.930 -5.841 0.497 1.00 0.00 H new ATOM 0 HG LEU A 16 1.767 -7.978 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.779 -9.302 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.717 -8.863 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.216 -7.949 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.912 -7.886 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.430 -6.526 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.045 -6.334 3.603 1.00 0.00 H new ATOM 246 N PHE A 17 0.163 -3.981 -0.077 1.00 0.00 N ATOM 247 CA PHE A 17 -0.167 -2.770 -0.844 1.00 0.00 C ATOM 248 C PHE A 17 -0.609 -1.620 0.070 1.00 0.00 C ATOM 249 O PHE A 17 -0.010 -0.546 0.085 1.00 0.00 O ATOM 250 CB PHE A 17 -1.287 -3.060 -1.856 1.00 0.00 C ATOM 251 CG PHE A 17 -1.398 -2.026 -2.964 1.00 0.00 C ATOM 252 CD1 PHE A 17 -0.604 -2.146 -4.127 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.221 -0.890 -2.793 1.00 0.00 C ATOM 254 CE1 PHE A 17 -0.648 -1.147 -5.121 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.263 0.112 -3.786 1.00 0.00 C ATOM 256 CZ PHE A 17 -1.477 -0.017 -4.951 1.00 0.00 C ATOM 0 H PHE A 17 -0.372 -4.801 -0.364 1.00 0.00 H new ATOM 0 HA PHE A 17 0.740 -2.470 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.115 -4.040 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.238 -3.113 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.038 -3.005 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.820 -0.788 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.047 -1.246 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.896 0.977 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.510 0.748 -5.712 1.00 0.00 H new ATOM 266 N VAL A 18 -1.683 -1.874 0.823 1.00 0.00 N ATOM 267 CA VAL A 18 -2.291 -0.924 1.764 1.00 0.00 C ATOM 268 C VAL A 18 -1.259 -0.322 2.736 1.00 0.00 C ATOM 269 O VAL A 18 -1.217 0.895 2.909 1.00 0.00 O ATOM 270 CB VAL A 18 -3.483 -1.582 2.499 1.00 0.00 C ATOM 271 CG1 VAL A 18 -4.009 -0.719 3.661 1.00 0.00 C ATOM 272 CG2 VAL A 18 -4.650 -1.829 1.526 1.00 0.00 C ATOM 0 H VAL A 18 -2.168 -2.771 0.795 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.678 -0.083 1.189 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.108 -2.523 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.845 -1.227 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.212 -0.563 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.343 0.245 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.479 -2.292 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.977 -0.880 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.321 -2.490 0.724 1.00 0.00 H new ATOM 282 N LEU A 19 -0.412 -1.145 3.366 1.00 0.00 N ATOM 283 CA LEU A 19 0.620 -0.655 4.280 1.00 0.00 C ATOM 284 C LEU A 19 1.809 0.005 3.564 1.00 0.00 C ATOM 285 O LEU A 19 2.388 0.954 4.093 1.00 0.00 O ATOM 286 CB LEU A 19 1.144 -1.753 5.194 1.00 0.00 C ATOM 287 CG LEU A 19 0.110 -2.465 6.065 1.00 0.00 C ATOM 288 CD1 LEU A 19 0.765 -3.624 6.829 1.00 0.00 C ATOM 289 CD2 LEU A 19 -0.616 -1.521 7.038 1.00 0.00 C ATOM 0 H LEU A 19 -0.424 -2.159 3.257 1.00 0.00 H new ATOM 0 HA LEU A 19 0.118 0.107 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.644 -2.500 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.901 -1.320 5.848 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.651 -2.856 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.017 -4.122 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.184 -4.337 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.560 -3.237 7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.336 -2.089 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.111 -1.056 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.138 -0.748 6.474 1.00 0.00 H new ATOM 301 N PHE A 20 2.179 -0.465 2.364 1.00 0.00 N ATOM 302 CA PHE A 20 3.123 0.251 1.507 1.00 0.00 C ATOM 303 C PHE A 20 2.611 1.679 1.239 1.00 0.00 C ATOM 304 O PHE A 20 3.365 2.636 1.391 1.00 0.00 O ATOM 305 CB PHE A 20 3.391 -0.544 0.217 1.00 0.00 C ATOM 306 CG PHE A 20 4.430 0.071 -0.709 1.00 0.00 C ATOM 307 CD1 PHE A 20 4.066 1.111 -1.594 1.00 0.00 C ATOM 308 CD2 PHE A 20 5.764 -0.401 -0.698 1.00 0.00 C ATOM 309 CE1 PHE A 20 5.033 1.696 -2.439 1.00 0.00 C ATOM 310 CE2 PHE A 20 6.728 0.178 -1.551 1.00 0.00 C ATOM 311 CZ PHE A 20 6.365 1.232 -2.415 1.00 0.00 C ATOM 0 H PHE A 20 1.836 -1.340 1.968 1.00 0.00 H new ATOM 0 HA PHE A 20 4.082 0.346 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.716 -1.549 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.454 -0.648 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.044 1.459 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.045 -1.206 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.753 2.499 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.745 -0.186 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.106 1.684 -3.058 1.00 0.00 H new ATOM 321 N CYS A 21 1.311 1.843 0.944 1.00 0.00 N ATOM 322 CA CYS A 21 0.662 3.153 0.963 1.00 0.00 C ATOM 323 C CYS A 21 0.721 3.806 2.363 1.00 0.00 C ATOM 324 O CYS A 21 0.953 5.011 2.453 1.00 0.00 O ATOM 325 CB CYS A 21 -0.769 3.057 0.407 1.00 0.00 C ATOM 326 SG CYS A 21 -1.447 4.715 0.114 1.00 0.00 S ATOM 0 H CYS A 21 0.690 1.075 0.689 1.00 0.00 H new ATOM 0 HA CYS A 21 1.219 3.819 0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.767 2.488 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.403 2.517 1.110 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.654 4.613 -0.357 1.00 0.00 H new ATOM 332 N MET A 22 0.556 3.042 3.461 1.00 0.00 N ATOM 333 CA MET A 22 0.640 3.587 4.817 1.00 0.00 C ATOM 334 C MET A 22 2.041 4.123 5.183 1.00 0.00 C ATOM 335 O MET A 22 2.152 4.861 6.160 1.00 0.00 O ATOM 336 CB MET A 22 0.122 2.561 5.842 1.00 0.00 C ATOM 337 CG MET A 22 -0.247 3.180 7.200 1.00 0.00 C ATOM 338 SD MET A 22 -1.019 2.060 8.400 1.00 0.00 S ATOM 339 CE MET A 22 -2.670 1.887 7.681 1.00 0.00 C ATOM 0 H MET A 22 0.363 2.041 3.427 1.00 0.00 H new ATOM 0 HA MET A 22 -0.010 4.462 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.754 2.060 5.431 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.884 1.797 5.995 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.658 3.592 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.925 4.015 7.024 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.293 1.283 8.341 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.119 2.873 7.560 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.594 1.401 6.708 1.00 0.00 H new ATOM 349 N LYS A 23 3.101 3.759 4.432 1.00 0.00 N ATOM 350 CA LYS A 23 4.490 4.098 4.769 1.00 0.00 C ATOM 351 C LYS A 23 5.315 4.799 3.676 1.00 0.00 C ATOM 352 O LYS A 23 5.987 5.790 3.958 1.00 0.00 O ATOM 353 CB LYS A 23 5.200 2.811 5.236 1.00 0.00 C ATOM 354 CG LYS A 23 6.473 3.117 6.039 1.00 0.00 C ATOM 355 CD LYS A 23 7.159 1.817 6.487 1.00 0.00 C ATOM 356 CE LYS A 23 8.430 2.124 7.290 1.00 0.00 C ATOM 357 NZ LYS A 23 9.104 0.888 7.736 1.00 0.00 N ATOM 0 H LYS A 23 3.012 3.219 3.571 1.00 0.00 H new ATOM 0 HA LYS A 23 4.427 4.850 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.517 2.222 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.456 2.202 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.160 3.705 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.222 3.721 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.472 1.228 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.411 1.213 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.114 2.712 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.175 2.733 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.959 1.134 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.459 0.340 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.370 0.319 6.907 1.00 0.00 H new ATOM 371 N TYR A 24 5.328 4.277 2.448 1.00 0.00 N ATOM 372 CA TYR A 24 6.061 4.860 1.319 1.00 0.00 C ATOM 373 C TYR A 24 5.349 6.091 0.720 1.00 0.00 C ATOM 374 O TYR A 24 5.989 6.873 0.017 1.00 0.00 O ATOM 375 CB TYR A 24 6.323 3.784 0.249 1.00 0.00 C ATOM 376 CG TYR A 24 7.294 2.689 0.674 1.00 0.00 C ATOM 377 CD1 TYR A 24 6.875 1.672 1.562 1.00 0.00 C ATOM 378 CD2 TYR A 24 8.619 2.680 0.182 1.00 0.00 C ATOM 379 CE1 TYR A 24 7.766 0.644 1.939 1.00 0.00 C ATOM 380 CE2 TYR A 24 9.509 1.651 0.557 1.00 0.00 C ATOM 381 CZ TYR A 24 9.079 0.629 1.428 1.00 0.00 C ATOM 382 OH TYR A 24 9.936 -0.371 1.775 1.00 0.00 O ATOM 0 H TYR A 24 4.823 3.425 2.205 1.00 0.00 H new ATOM 0 HA TYR A 24 7.017 5.221 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.374 3.323 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.712 4.268 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.869 1.682 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.951 3.463 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.442 -0.130 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.520 1.646 0.177 1.00 0.00 H new ATOM 0 HH TYR A 24 10.799 -0.230 1.334 1.00 0.00 H new ATOM 392 N VAL A 25 4.045 6.266 0.988 1.00 0.00 N ATOM 393 CA VAL A 25 3.212 7.342 0.430 1.00 0.00 C ATOM 394 C VAL A 25 2.801 8.355 1.513 1.00 0.00 C ATOM 395 O VAL A 25 2.858 9.559 1.269 1.00 0.00 O ATOM 396 CB VAL A 25 1.998 6.757 -0.326 1.00 0.00 C ATOM 397 CG1 VAL A 25 1.129 7.865 -0.949 1.00 0.00 C ATOM 398 CG2 VAL A 25 2.442 5.791 -1.440 1.00 0.00 C ATOM 0 H VAL A 25 3.529 5.648 1.614 1.00 0.00 H new ATOM 0 HA VAL A 25 3.807 7.895 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 25 1.409 6.213 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.285 7.415 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.759 8.523 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.727 8.443 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.564 5.398 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.070 6.323 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.007 4.967 -1.004 1.00 0.00 H new ATOM 408 N TRP A 26 2.400 7.893 2.707 1.00 0.00 N ATOM 409 CA TRP A 26 1.932 8.739 3.811 1.00 0.00 C ATOM 410 C TRP A 26 2.858 9.935 4.143 1.00 0.00 C ATOM 411 O TRP A 26 2.415 11.073 4.012 1.00 0.00 O ATOM 412 CB TRP A 26 1.608 7.858 5.034 1.00 0.00 C ATOM 413 CG TRP A 26 0.209 7.306 5.113 1.00 0.00 C ATOM 414 CD1 TRP A 26 -0.627 7.091 4.069 1.00 0.00 C ATOM 415 CD2 TRP A 26 -0.548 6.928 6.304 1.00 0.00 C ATOM 416 NE1 TRP A 26 -1.841 6.618 4.520 1.00 0.00 N ATOM 417 CE2 TRP A 26 -1.854 6.506 5.894 1.00 0.00 C ATOM 418 CE3 TRP A 26 -0.269 6.902 7.694 1.00 0.00 C ATOM 419 CZ2 TRP A 26 -2.833 6.088 6.815 1.00 0.00 C ATOM 420 CZ3 TRP A 26 -1.244 6.483 8.626 1.00 0.00 C ATOM 421 CH2 TRP A 26 -2.524 6.081 8.190 1.00 0.00 C ATOM 0 H TRP A 26 2.393 6.899 2.935 1.00 0.00 H new ATOM 0 HA TRP A 26 1.015 9.226 3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.306 7.021 5.046 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.795 8.442 5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -0.378 7.265 3.033 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -2.628 6.382 3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.705 7.208 8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.809 5.777 6.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -1.008 6.470 9.680 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.266 5.768 8.909 1.00 0.00 H new ATOM 432 N PRO A 27 4.123 9.734 4.561 1.00 0.00 N ATOM 433 CA PRO A 27 5.064 10.816 4.855 1.00 0.00 C ATOM 434 C PRO A 27 5.243 11.864 3.731 1.00 0.00 C ATOM 435 O PRO A 27 5.050 13.047 4.007 1.00 0.00 O ATOM 436 CB PRO A 27 6.374 10.156 5.318 1.00 0.00 C ATOM 437 CG PRO A 27 6.214 8.680 4.955 1.00 0.00 C ATOM 438 CD PRO A 27 4.705 8.451 4.907 1.00 0.00 C ATOM 0 HA PRO A 27 4.652 11.439 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.237 10.595 4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.526 10.286 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.679 8.456 3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.688 8.037 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.448 7.692 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.332 8.099 5.869 1.00 0.00 H new ATOM 446 N PRO A 28 5.595 11.509 2.476 1.00 0.00 N ATOM 447 CA PRO A 28 5.736 12.497 1.405 1.00 0.00 C ATOM 448 C PRO A 28 4.402 13.169 1.029 1.00 0.00 C ATOM 449 O PRO A 28 4.382 14.376 0.788 1.00 0.00 O ATOM 450 CB PRO A 28 6.399 11.766 0.230 1.00 0.00 C ATOM 451 CG PRO A 28 6.000 10.310 0.456 1.00 0.00 C ATOM 452 CD PRO A 28 5.978 10.194 1.982 1.00 0.00 C ATOM 0 HA PRO A 28 6.356 13.333 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.040 12.138 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.482 11.893 0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.027 10.086 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.716 9.621 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.268 9.433 2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.955 9.902 2.366 1.00 0.00 H new ATOM 460 N LEU A 29 3.282 12.426 1.029 1.00 0.00 N ATOM 461 CA LEU A 29 1.934 12.996 0.913 1.00 0.00 C ATOM 462 C LEU A 29 1.694 14.076 1.981 1.00 0.00 C ATOM 463 O LEU A 29 1.276 15.187 1.667 1.00 0.00 O ATOM 464 CB LEU A 29 0.880 11.885 1.019 1.00 0.00 C ATOM 465 CG LEU A 29 -0.567 12.362 0.777 1.00 0.00 C ATOM 466 CD1 LEU A 29 -0.768 12.976 -0.618 1.00 0.00 C ATOM 467 CD2 LEU A 29 -1.510 11.164 0.944 1.00 0.00 C ATOM 0 H LEU A 29 3.289 11.409 1.110 1.00 0.00 H new ATOM 0 HA LEU A 29 1.846 13.471 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.118 11.103 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.941 11.434 2.010 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.785 13.145 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.805 13.293 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.110 13.837 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.531 12.233 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.538 11.484 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.248 10.391 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.415 10.764 1.953 1.00 0.00 H new ATOM 479 N MET A 30 1.989 13.744 3.243 1.00 0.00 N ATOM 480 CA MET A 30 1.881 14.647 4.390 1.00 0.00 C ATOM 481 C MET A 30 2.742 15.906 4.198 1.00 0.00 C ATOM 482 O MET A 30 2.246 17.021 4.346 1.00 0.00 O ATOM 483 CB MET A 30 2.252 13.886 5.675 1.00 0.00 C ATOM 484 CG MET A 30 1.931 14.689 6.947 1.00 0.00 C ATOM 485 SD MET A 30 2.384 13.898 8.517 1.00 0.00 S ATOM 486 CE MET A 30 1.327 12.431 8.479 1.00 0.00 C ATOM 0 H MET A 30 2.318 12.813 3.500 1.00 0.00 H new ATOM 0 HA MET A 30 0.850 14.991 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.713 12.939 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.315 13.647 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.442 15.650 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.861 14.897 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.356 11.936 9.450 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.302 12.727 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.684 11.745 7.711 1.00 0.00 H new ATOM 496 N ALA A 31 4.019 15.732 3.830 1.00 0.00 N ATOM 497 CA ALA A 31 4.949 16.824 3.535 1.00 0.00 C ATOM 498 C ALA A 31 4.406 17.760 2.439 1.00 0.00 C ATOM 499 O ALA A 31 4.421 18.977 2.606 1.00 0.00 O ATOM 500 CB ALA A 31 6.319 16.245 3.156 1.00 0.00 C ATOM 0 H ALA A 31 4.440 14.809 3.728 1.00 0.00 H new ATOM 0 HA ALA A 31 5.062 17.434 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.010 17.059 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.706 15.654 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.215 15.610 2.276 1.00 0.00 H new ATOM 506 N ALA A 32 3.899 17.187 1.338 1.00 0.00 N ATOM 507 CA ALA A 32 3.294 17.912 0.222 1.00 0.00 C ATOM 508 C ALA A 32 2.033 18.704 0.630 1.00 0.00 C ATOM 509 O ALA A 32 1.941 19.900 0.360 1.00 0.00 O ATOM 510 CB ALA A 32 2.997 16.931 -0.922 1.00 0.00 C ATOM 0 H ALA A 32 3.901 16.176 1.200 1.00 0.00 H new ATOM 0 HA ALA A 32 4.011 18.659 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.546 17.470 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.925 16.465 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.309 16.162 -0.572 1.00 0.00 H new ATOM 516 N ILE A 33 1.059 18.035 1.263 1.00 0.00 N ATOM 517 CA ILE A 33 -0.243 18.596 1.646 1.00 0.00 C ATOM 518 C ILE A 33 -0.135 19.624 2.792 1.00 0.00 C ATOM 519 O ILE A 33 -0.771 20.675 2.726 1.00 0.00 O ATOM 520 CB ILE A 33 -1.228 17.447 1.982 1.00 0.00 C ATOM 521 CG1 ILE A 33 -1.524 16.541 0.764 1.00 0.00 C ATOM 522 CG2 ILE A 33 -2.547 17.962 2.590 1.00 0.00 C ATOM 523 CD1 ILE A 33 -2.357 17.192 -0.351 1.00 0.00 C ATOM 0 H ILE A 33 1.160 17.056 1.531 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.634 19.153 0.795 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.720 16.843 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.576 16.209 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.047 15.650 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.202 17.118 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.336 18.504 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.038 18.629 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.509 16.475 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.324 17.498 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.830 18.065 -0.736 1.00 0.00 H new HETATM 535 N GMA A 34 0.644 19.326 3.842 1.00 0.00 N HETATM 536 CA GMA A 34 0.828 20.184 5.015 1.00 0.00 C HETATM 537 C GMA A 34 1.883 21.260 4.716 1.00 0.00 C HETATM 538 O GMA A 34 1.689 22.443 4.976 1.00 0.00 O HETATM 539 CB GMA A 34 1.224 19.309 6.222 1.00 0.00 C HETATM 540 CG GMA A 34 1.219 20.077 7.556 1.00 0.00 C HETATM 541 CD GMA A 34 -0.183 20.505 7.998 1.00 0.00 C HETATM 542 OE1 GMA A 34 -0.438 21.728 7.999 1.00 0.00 O HETATM 543 OE2 GMA A 34 -0.973 19.596 8.334 1.00 0.00 O HETATM 544 N2 GMA A 34 3.015 20.858 4.138 1.00 0.00 N HETATM 0 HN2A GMA A 34 3.151 19.872 3.914 1.00 0.00 H new HETATM 0 HN1 GMA A 34 3.745 21.536 3.920 1.00 0.00 H new HETATM 0 HG3 GMA A 34 1.662 19.451 8.330 1.00 0.00 H new HETATM 0 HG2 GMA A 34 1.849 20.961 7.462 1.00 0.00 H new HETATM 0 HE2 GMA A 34 -1.829 19.990 8.602 1.00 0.00 H new HETATM 0 HB3 GMA A 34 0.536 18.466 6.293 1.00 0.00 H new HETATM 0 HB2 GMA A 34 2.218 18.896 6.052 1.00 0.00 H new HETATM 0 HA GMA A 34 -0.102 20.699 5.257 1.00 0.00 H new TER 553 GMA A 34