USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 281 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 ASP N :NH3+ 164:sc= -0.073 (180deg=-0.513) USER MOD Single : A 4 SER OG : rot -87:sc= 1.09 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.067) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.78 K(o=0.78,f=-6.8!) USER MOD Single : A 21 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.32) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.52) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -111:sc= 1.1 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -13.127 -26.089 4.218 1.00 0.00 N ATOM 2 CA ASP A 1 -12.403 -24.841 4.056 1.00 0.00 C ATOM 3 C ASP A 1 -13.322 -23.803 3.406 1.00 0.00 C ATOM 4 O ASP A 1 -12.850 -22.872 2.757 1.00 0.00 O ATOM 5 CB ASP A 1 -11.183 -25.025 3.151 1.00 0.00 C ATOM 6 CG ASP A 1 -9.899 -25.438 3.871 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.934 -24.664 3.950 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.913 -26.627 4.372 1.00 0.00 O ATOM 0 H1 ASP A 1 -12.453 -26.860 4.399 1.00 0.00 H new ATOM 0 H2 ASP A 1 -13.784 -26.008 5.020 1.00 0.00 H new ATOM 0 H3 ASP A 1 -13.663 -26.294 3.351 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.074 -24.512 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -11.418 -25.778 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.999 -24.091 2.620 1.00 0.00 H new ATOM 14 N ALA A 2 -14.616 -23.999 3.605 1.00 0.00 N ATOM 15 CA ALA A 2 -15.606 -23.093 3.048 1.00 0.00 C ATOM 16 C ALA A 2 -15.423 -21.705 3.665 1.00 0.00 C ATOM 17 O ALA A 2 -15.886 -20.709 3.111 1.00 0.00 O ATOM 18 CB ALA A 2 -17.007 -23.657 3.286 1.00 0.00 C ATOM 0 H ALA A 2 -15.003 -24.773 4.145 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.474 -22.996 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.749 -22.977 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.094 -24.630 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.178 -23.767 4.357 1.00 0.00 H new ATOM 24 N ASP A 3 -14.749 -21.683 4.806 1.00 0.00 N ATOM 25 CA ASP A 3 -14.502 -20.434 5.505 1.00 0.00 C ATOM 26 C ASP A 3 -13.408 -19.653 4.773 1.00 0.00 C ATOM 27 O ASP A 3 -13.232 -18.458 5.004 1.00 0.00 O ATOM 28 CB ASP A 3 -14.024 -20.689 6.936 1.00 0.00 C ATOM 29 CG ASP A 3 -15.031 -21.406 7.836 1.00 0.00 C ATOM 30 OD1 ASP A 3 -14.744 -22.478 8.390 1.00 0.00 O ATOM 31 OD2 ASP A 3 -16.170 -20.814 7.961 1.00 0.00 O ATOM 0 H ASP A 3 -14.367 -22.511 5.263 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.435 -19.872 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.109 -21.280 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.767 -19.733 7.393 1.00 0.00 H new ATOM 37 N SER A 4 -12.700 -20.362 3.906 1.00 0.00 N ATOM 38 CA SER A 4 -11.627 -19.751 3.139 1.00 0.00 C ATOM 39 C SER A 4 -12.166 -18.562 2.341 1.00 0.00 C ATOM 40 O SER A 4 -11.405 -17.685 1.935 1.00 0.00 O ATOM 41 CB SER A 4 -10.974 -20.767 2.200 1.00 0.00 C ATOM 42 OG SER A 4 -11.813 -21.090 1.095 1.00 0.00 O ATOM 0 H SER A 4 -12.848 -21.353 3.718 1.00 0.00 H new ATOM 0 HA SER A 4 -10.866 -19.399 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.029 -20.366 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.740 -21.675 2.755 1.00 0.00 H new ATOM 0 HG SER A 4 -12.414 -21.823 1.344 1.00 0.00 H new ATOM 48 N SER A 5 -13.477 -18.570 2.140 1.00 0.00 N ATOM 49 CA SER A 5 -14.126 -17.504 1.398 1.00 0.00 C ATOM 50 C SER A 5 -14.008 -16.185 2.165 1.00 0.00 C ATOM 51 O SER A 5 -14.173 -15.110 1.590 1.00 0.00 O ATOM 52 CB SER A 5 -15.596 -17.834 1.132 1.00 0.00 C ATOM 53 OG SER A 5 -15.799 -18.347 -0.182 1.00 0.00 O ATOM 0 H SER A 5 -14.106 -19.298 2.479 1.00 0.00 H new ATOM 0 HA SER A 5 -13.625 -17.403 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.942 -18.564 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.199 -16.936 1.268 1.00 0.00 H new ATOM 0 HG SER A 5 -16.750 -18.547 -0.312 1.00 0.00 H new ATOM 59 N ILE A 6 -13.724 -16.310 3.453 1.00 0.00 N ATOM 60 CA ILE A 6 -13.582 -15.142 4.306 1.00 0.00 C ATOM 61 C ILE A 6 -12.258 -14.444 3.990 1.00 0.00 C ATOM 62 O ILE A 6 -12.097 -13.256 4.265 1.00 0.00 O ATOM 63 CB ILE A 6 -13.737 -15.531 5.778 1.00 0.00 C ATOM 64 CG1 ILE A 6 -12.451 -16.159 6.318 1.00 0.00 C ATOM 65 CG2 ILE A 6 -14.949 -16.443 5.979 1.00 0.00 C ATOM 66 CD1 ILE A 6 -11.512 -15.089 6.879 1.00 0.00 C ATOM 0 H ILE A 6 -13.588 -17.203 3.927 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.377 -14.424 4.105 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.918 -14.623 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.694 -16.880 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.948 -16.708 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.037 -16.705 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -15.852 -15.924 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.823 -17.351 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.605 -15.562 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.252 -14.383 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.009 -14.558 7.691 1.00 0.00 H new ATOM 78 N GLU A 7 -11.342 -15.212 3.418 1.00 0.00 N ATOM 79 CA GLU A 7 -10.037 -14.682 3.062 1.00 0.00 C ATOM 80 C GLU A 7 -10.169 -13.661 1.929 1.00 0.00 C ATOM 81 O GLU A 7 -9.213 -12.956 1.609 1.00 0.00 O ATOM 82 CB GLU A 7 -9.074 -15.807 2.678 1.00 0.00 C ATOM 83 CG GLU A 7 -8.642 -16.604 3.910 1.00 0.00 C ATOM 84 CD GLU A 7 -7.610 -17.671 3.539 1.00 0.00 C ATOM 85 OE1 GLU A 7 -6.465 -17.334 3.204 1.00 0.00 O ATOM 86 OE2 GLU A 7 -8.034 -18.887 3.608 1.00 0.00 O ATOM 0 H GLU A 7 -11.478 -16.197 3.192 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.622 -14.176 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.554 -16.472 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.197 -15.387 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.221 -15.929 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.512 -17.077 4.365 1.00 0.00 H new ATOM 94 N LYS A 8 -11.362 -13.616 1.352 1.00 0.00 N ATOM 95 CA LYS A 8 -11.630 -12.695 0.262 1.00 0.00 C ATOM 96 C LYS A 8 -11.338 -11.265 0.724 1.00 0.00 C ATOM 97 O LYS A 8 -11.122 -10.377 -0.098 1.00 0.00 O ATOM 98 CB LYS A 8 -13.053 -12.892 -0.268 1.00 0.00 C ATOM 99 CG LYS A 8 -13.154 -12.476 -1.737 1.00 0.00 C ATOM 100 CD LYS A 8 -13.528 -13.668 -2.620 1.00 0.00 C ATOM 101 CE LYS A 8 -12.322 -14.584 -2.842 1.00 0.00 C ATOM 102 NZ LYS A 8 -11.565 -14.160 -4.041 1.00 0.00 N ATOM 0 H LYS A 8 -12.152 -14.202 1.619 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.969 -12.899 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.343 -13.937 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.751 -12.305 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.901 -11.690 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.202 -12.059 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.336 -14.231 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.900 -13.311 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.673 -14.559 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.657 -15.614 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.750 -14.791 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.183 -14.206 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.229 -13.184 -3.912 1.00 0.00 H new ATOM 115 N GLN A 9 -11.341 -11.090 2.037 1.00 0.00 N ATOM 116 CA GLN A 9 -11.079 -9.785 2.617 1.00 0.00 C ATOM 117 C GLN A 9 -9.589 -9.451 2.522 1.00 0.00 C ATOM 118 O GLN A 9 -9.209 -8.281 2.549 1.00 0.00 O ATOM 119 CB GLN A 9 -11.565 -9.722 4.067 1.00 0.00 C ATOM 120 CG GLN A 9 -13.090 -9.812 4.140 1.00 0.00 C ATOM 121 CD GLN A 9 -13.737 -8.490 3.724 1.00 0.00 C ATOM 122 OE1 GLN A 9 -13.811 -7.538 4.484 1.00 0.00 O ATOM 123 NE2 GLN A 9 -14.201 -8.483 2.477 1.00 0.00 N ATOM 0 H GLN A 9 -11.521 -11.830 2.715 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.635 -9.038 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.122 -10.537 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.230 -8.792 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.442 -10.614 3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.395 -10.067 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.107 -9.314 1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -14.651 -7.647 2.105 1.00 0.00 H new ATOM 132 N VAL A 10 -8.787 -10.499 2.414 1.00 0.00 N ATOM 133 CA VAL A 10 -7.347 -10.331 2.314 1.00 0.00 C ATOM 134 C VAL A 10 -7.007 -9.648 0.988 1.00 0.00 C ATOM 135 O VAL A 10 -5.962 -9.013 0.864 1.00 0.00 O ATOM 136 CB VAL A 10 -6.650 -11.682 2.487 1.00 0.00 C ATOM 137 CG1 VAL A 10 -5.130 -11.531 2.398 1.00 0.00 C ATOM 138 CG2 VAL A 10 -7.058 -12.346 3.803 1.00 0.00 C ATOM 0 H VAL A 10 -9.106 -11.468 2.393 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.982 -9.686 3.113 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.971 -12.330 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.659 -12.506 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.861 -11.122 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.785 -10.857 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.548 -13.304 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.781 -11.701 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.136 -12.506 3.811 1.00 0.00 H new ATOM 148 N ALA A 11 -7.910 -9.803 0.031 1.00 0.00 N ATOM 149 CA ALA A 11 -7.720 -9.210 -1.282 1.00 0.00 C ATOM 150 C ALA A 11 -7.979 -7.705 -1.198 1.00 0.00 C ATOM 151 O ALA A 11 -7.475 -6.938 -2.016 1.00 0.00 O ATOM 152 CB ALA A 11 -8.632 -9.904 -2.294 1.00 0.00 C ATOM 0 H ALA A 11 -8.776 -10.331 0.139 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.694 -9.350 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.489 -9.458 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.387 -10.965 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.672 -9.784 -1.989 1.00 0.00 H new ATOM 158 N LEU A 12 -8.768 -7.327 -0.203 1.00 0.00 N ATOM 159 CA LEU A 12 -9.102 -5.927 -0.001 1.00 0.00 C ATOM 160 C LEU A 12 -7.896 -5.200 0.599 1.00 0.00 C ATOM 161 O LEU A 12 -7.761 -3.988 0.449 1.00 0.00 O ATOM 162 CB LEU A 12 -10.377 -5.794 0.832 1.00 0.00 C ATOM 163 CG LEU A 12 -10.954 -4.383 0.956 1.00 0.00 C ATOM 164 CD1 LEU A 12 -11.952 -4.098 -0.168 1.00 0.00 C ATOM 165 CD2 LEU A 12 -11.570 -4.162 2.339 1.00 0.00 C ATOM 0 H LEU A 12 -9.186 -7.966 0.473 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.322 -5.447 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.140 -6.440 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.173 -6.171 1.834 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.137 -3.669 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.347 -3.088 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.450 -4.187 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.771 -4.816 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.973 -3.151 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.372 -4.883 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.805 -4.295 3.104 1.00 0.00 H new ATOM 177 N LEU A 13 -7.051 -5.974 1.266 1.00 0.00 N ATOM 178 CA LEU A 13 -5.862 -5.419 1.889 1.00 0.00 C ATOM 179 C LEU A 13 -4.822 -5.112 0.810 1.00 0.00 C ATOM 180 O LEU A 13 -3.952 -4.264 1.004 1.00 0.00 O ATOM 181 CB LEU A 13 -5.349 -6.351 2.989 1.00 0.00 C ATOM 182 CG LEU A 13 -5.601 -5.893 4.427 1.00 0.00 C ATOM 183 CD1 LEU A 13 -4.895 -4.567 4.711 1.00 0.00 C ATOM 184 CD2 LEU A 13 -7.099 -5.819 4.725 1.00 0.00 C ATOM 0 H LEU A 13 -7.167 -6.980 1.388 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.096 -4.477 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.811 -7.329 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.276 -6.484 2.854 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.175 -6.636 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.090 -4.264 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.821 -4.688 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.269 -3.802 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.250 -5.491 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.571 -5.109 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.546 -6.804 4.589 1.00 0.00 H new ATOM 196 N LYS A 14 -4.946 -5.818 -0.304 1.00 0.00 N ATOM 197 CA LYS A 14 -4.028 -5.631 -1.415 1.00 0.00 C ATOM 198 C LYS A 14 -4.364 -4.324 -2.135 1.00 0.00 C ATOM 199 O LYS A 14 -3.508 -3.736 -2.794 1.00 0.00 O ATOM 200 CB LYS A 14 -4.037 -6.857 -2.329 1.00 0.00 C ATOM 201 CG LYS A 14 -3.406 -8.065 -1.634 1.00 0.00 C ATOM 202 CD LYS A 14 -3.595 -9.337 -2.464 1.00 0.00 C ATOM 203 CE LYS A 14 -2.258 -10.041 -2.700 1.00 0.00 C ATOM 204 NZ LYS A 14 -2.055 -11.117 -1.704 1.00 0.00 N ATOM 0 H LYS A 14 -5.668 -6.521 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.004 -5.540 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.062 -7.093 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.492 -6.635 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.343 -7.884 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.856 -8.199 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.280 -10.012 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.052 -9.086 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.233 -10.460 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.444 -9.319 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.143 -11.584 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.057 -10.709 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.822 -11.814 -1.785 1.00 0.00 H new ATOM 217 N ALA A 15 -5.613 -3.907 -1.984 1.00 0.00 N ATOM 218 CA ALA A 15 -6.073 -2.680 -2.612 1.00 0.00 C ATOM 219 C ALA A 15 -5.516 -1.480 -1.845 1.00 0.00 C ATOM 220 O ALA A 15 -5.381 -0.390 -2.402 1.00 0.00 O ATOM 221 CB ALA A 15 -7.602 -2.678 -2.668 1.00 0.00 C ATOM 0 H ALA A 15 -6.320 -4.397 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.709 -2.613 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.948 -1.758 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.946 -3.534 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.003 -2.741 -1.656 1.00 0.00 H new ATOM 227 N LEU A 16 -5.207 -1.719 -0.578 1.00 0.00 N ATOM 228 CA LEU A 16 -4.667 -0.670 0.271 1.00 0.00 C ATOM 229 C LEU A 16 -3.204 -0.421 -0.100 1.00 0.00 C ATOM 230 O LEU A 16 -2.683 0.671 0.115 1.00 0.00 O ATOM 231 CB LEU A 16 -4.877 -1.016 1.746 1.00 0.00 C ATOM 232 CG LEU A 16 -6.066 -0.338 2.432 1.00 0.00 C ATOM 233 CD1 LEU A 16 -6.080 1.165 2.145 1.00 0.00 C ATOM 234 CD2 LEU A 16 -7.383 -1.010 2.035 1.00 0.00 C ATOM 0 H LEU A 16 -5.320 -2.623 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.201 0.266 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.001 -2.096 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.971 -0.755 2.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.954 -0.459 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.934 1.623 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.159 1.615 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.156 1.329 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.212 -0.510 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.516 -0.941 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.360 -2.059 2.331 1.00 0.00 H new ATOM 246 N TYR A 17 -2.583 -1.453 -0.653 1.00 0.00 N ATOM 247 CA TYR A 17 -1.191 -1.360 -1.056 1.00 0.00 C ATOM 248 C TYR A 17 -1.046 -0.542 -2.342 1.00 0.00 C ATOM 249 O TYR A 17 0.028 -0.014 -2.627 1.00 0.00 O ATOM 250 CB TYR A 17 -0.732 -2.795 -1.324 1.00 0.00 C ATOM 251 CG TYR A 17 -0.068 -3.470 -0.122 1.00 0.00 C ATOM 252 CD1 TYR A 17 -0.771 -3.627 1.056 1.00 0.00 C ATOM 253 CD2 TYR A 17 1.231 -3.923 -0.216 1.00 0.00 C ATOM 254 CE1 TYR A 17 -0.146 -4.264 2.186 1.00 0.00 C ATOM 255 CE2 TYR A 17 1.857 -4.559 0.915 1.00 0.00 C ATOM 256 CZ TYR A 17 1.137 -4.698 2.061 1.00 0.00 C ATOM 257 OH TYR A 17 1.726 -5.299 3.128 1.00 0.00 O ATOM 0 H TYR A 17 -3.019 -2.358 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.600 -0.870 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.592 -3.389 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.031 -2.792 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.788 -3.272 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.780 -3.801 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.684 -4.394 3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.874 -4.917 0.855 1.00 0.00 H new ATOM 0 HH TYR A 17 2.642 -5.558 2.893 1.00 0.00 H new ATOM 267 N GLY A 18 -2.141 -0.465 -3.082 1.00 0.00 N ATOM 268 CA GLY A 18 -2.150 0.279 -4.329 1.00 0.00 C ATOM 269 C GLY A 18 -1.839 1.758 -4.089 1.00 0.00 C ATOM 270 O GLY A 18 -1.487 2.482 -5.019 1.00 0.00 O ATOM 0 H GLY A 18 -3.029 -0.906 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.415 -0.144 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.125 0.182 -4.807 1.00 0.00 H new ATOM 274 N HIS A 19 -1.980 2.163 -2.834 1.00 0.00 N ATOM 275 CA HIS A 19 -1.719 3.542 -2.459 1.00 0.00 C ATOM 276 C HIS A 19 -0.212 3.803 -2.480 1.00 0.00 C ATOM 277 O HIS A 19 0.223 4.953 -2.526 1.00 0.00 O ATOM 278 CB HIS A 19 -2.359 3.869 -1.109 1.00 0.00 C ATOM 279 CG HIS A 19 -1.408 3.777 0.060 1.00 0.00 C ATOM 280 ND1 HIS A 19 -1.252 2.625 0.811 1.00 0.00 N ATOM 281 CD2 HIS A 19 -0.564 4.704 0.598 1.00 0.00 C ATOM 282 CE1 HIS A 19 -0.354 2.860 1.757 1.00 0.00 C ATOM 283 NE2 HIS A 19 0.071 4.148 1.623 1.00 0.00 N ATOM 0 H HIS A 19 -2.272 1.560 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.179 4.213 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.773 4.877 -1.149 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.193 3.188 -0.940 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -1.745 1.744 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.434 5.718 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.018 2.155 2.503 1.00 0.00 H new ATOM 291 N GLY A 20 0.545 2.716 -2.443 1.00 0.00 N ATOM 292 CA GLY A 20 1.995 2.812 -2.456 1.00 0.00 C ATOM 293 C GLY A 20 2.524 2.930 -3.887 1.00 0.00 C ATOM 294 O GLY A 20 3.708 3.189 -4.096 1.00 0.00 O ATOM 0 H GLY A 20 0.181 1.764 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.311 3.679 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.426 1.933 -1.977 1.00 0.00 H new ATOM 298 N GLN A 21 1.620 2.731 -4.836 1.00 0.00 N ATOM 299 CA GLN A 21 1.980 2.811 -6.241 1.00 0.00 C ATOM 300 C GLN A 21 2.160 4.272 -6.660 1.00 0.00 C ATOM 301 O GLN A 21 2.754 4.553 -7.699 1.00 0.00 O ATOM 302 CB GLN A 21 0.936 2.113 -7.115 1.00 0.00 C ATOM 303 CG GLN A 21 1.482 0.800 -7.677 1.00 0.00 C ATOM 304 CD GLN A 21 1.640 -0.247 -6.572 1.00 0.00 C ATOM 305 OE1 GLN A 21 0.702 -0.924 -6.184 1.00 0.00 O ATOM 306 NE2 GLN A 21 2.876 -0.342 -6.089 1.00 0.00 N ATOM 0 H GLN A 21 0.639 2.515 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 21 2.929 2.293 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.038 1.917 -6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.644 2.770 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.809 0.422 -8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.445 0.978 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.615 0.255 -6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.084 -1.012 -5.349 1.00 0.00 H new ATOM 315 N ILE A 22 1.635 5.161 -5.831 1.00 0.00 N ATOM 316 CA ILE A 22 1.729 6.585 -6.104 1.00 0.00 C ATOM 317 C ILE A 22 3.139 7.073 -5.763 1.00 0.00 C ATOM 318 O ILE A 22 3.554 8.141 -6.207 1.00 0.00 O ATOM 319 CB ILE A 22 0.622 7.345 -5.372 1.00 0.00 C ATOM 320 CG1 ILE A 22 0.916 7.434 -3.873 1.00 0.00 C ATOM 321 CG2 ILE A 22 -0.748 6.723 -5.651 1.00 0.00 C ATOM 322 CD1 ILE A 22 1.615 8.751 -3.528 1.00 0.00 C ATOM 0 H ILE A 22 1.143 4.923 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 22 1.571 6.781 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 22 0.597 8.365 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.015 7.354 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.544 6.595 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.517 7.283 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.951 6.756 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.753 5.687 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.812 8.788 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.557 8.817 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.974 9.587 -3.808 1.00 0.00 H new ATOM 334 N SER A 23 3.835 6.265 -4.975 1.00 0.00 N ATOM 335 CA SER A 23 5.189 6.601 -4.569 1.00 0.00 C ATOM 336 C SER A 23 6.176 6.224 -5.676 1.00 0.00 C ATOM 337 O SER A 23 7.300 6.722 -5.706 1.00 0.00 O ATOM 338 CB SER A 23 5.563 5.898 -3.264 1.00 0.00 C ATOM 339 OG SER A 23 6.426 6.694 -2.456 1.00 0.00 O ATOM 0 H SER A 23 3.486 5.380 -4.608 1.00 0.00 H new ATOM 0 HA SER A 23 5.237 7.676 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.657 5.665 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.051 4.950 -3.490 1.00 0.00 H new ATOM 0 HG SER A 23 6.640 6.210 -1.631 1.00 0.00 H new ATOM 345 N HIS A 24 5.720 5.348 -6.559 1.00 0.00 N ATOM 346 CA HIS A 24 6.548 4.899 -7.664 1.00 0.00 C ATOM 347 C HIS A 24 6.461 5.905 -8.814 1.00 0.00 C ATOM 348 O HIS A 24 7.291 5.891 -9.721 1.00 0.00 O ATOM 349 CB HIS A 24 6.165 3.479 -8.089 1.00 0.00 C ATOM 350 CG HIS A 24 7.314 2.499 -8.061 1.00 0.00 C ATOM 351 ND1 HIS A 24 8.185 2.335 -9.124 1.00 0.00 N ATOM 352 CD2 HIS A 24 7.724 1.635 -7.089 1.00 0.00 C ATOM 353 CE1 HIS A 24 9.075 1.410 -8.795 1.00 0.00 C ATOM 354 NE2 HIS A 24 8.788 0.977 -7.534 1.00 0.00 N ATOM 0 H HIS A 24 4.787 4.937 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 24 7.589 4.853 -7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.374 3.115 -7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.753 3.511 -9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.262 1.508 -6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.886 1.060 -9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.305 0.265 -7.018 1.00 0.00 H new ATOM 362 N LYS A 25 5.447 6.754 -8.738 1.00 0.00 N ATOM 363 CA LYS A 25 5.240 7.766 -9.761 1.00 0.00 C ATOM 364 C LYS A 25 6.336 8.827 -9.651 1.00 0.00 C ATOM 365 O LYS A 25 6.577 9.575 -10.597 1.00 0.00 O ATOM 366 CB LYS A 25 3.822 8.334 -9.672 1.00 0.00 C ATOM 367 CG LYS A 25 2.861 7.554 -10.571 1.00 0.00 C ATOM 368 CD LYS A 25 2.985 8.005 -12.028 1.00 0.00 C ATOM 369 CE LYS A 25 2.019 7.230 -12.926 1.00 0.00 C ATOM 370 NZ LYS A 25 2.761 6.304 -13.809 1.00 0.00 N ATOM 0 H LYS A 25 4.760 6.762 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 25 5.321 7.326 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.474 8.293 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.828 9.384 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.073 6.487 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.837 7.700 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.778 9.073 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.008 7.855 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.313 6.670 -12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.435 7.926 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.090 5.786 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.417 6.846 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.299 5.628 -13.230 1.00 0.00 H new ATOM 383 N ARG A 26 6.971 8.859 -8.488 1.00 0.00 N ATOM 384 CA ARG A 26 8.036 9.816 -8.244 1.00 0.00 C ATOM 385 C ARG A 26 9.242 9.509 -9.135 1.00 0.00 C ATOM 386 O ARG A 26 10.102 10.364 -9.337 1.00 0.00 O ATOM 387 CB ARG A 26 8.475 9.789 -6.778 1.00 0.00 C ATOM 388 CG ARG A 26 7.407 10.409 -5.875 1.00 0.00 C ATOM 389 CD ARG A 26 7.431 11.937 -5.965 1.00 0.00 C ATOM 390 NE ARG A 26 7.421 12.523 -4.607 1.00 0.00 N ATOM 391 CZ ARG A 26 8.500 12.574 -3.796 1.00 0.00 C ATOM 392 NH1 ARG A 26 9.686 12.070 -4.201 1.00 0.00 N ATOM 393 NH2 ARG A 26 8.377 13.122 -2.601 1.00 0.00 N ATOM 0 H ARG A 26 6.768 8.238 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 26 7.650 10.808 -8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.664 8.761 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.413 10.333 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.423 10.040 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.574 10.099 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.320 12.264 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.568 12.290 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 26 6.544 12.913 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.772 11.647 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.496 12.112 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.477 13.499 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.182 13.169 -1.976 1.00 0.00 H new ATOM 406 N HIS A 27 9.265 8.285 -9.644 1.00 0.00 N ATOM 407 CA HIS A 27 10.349 7.856 -10.508 1.00 0.00 C ATOM 408 C HIS A 27 10.223 8.540 -11.871 1.00 0.00 C ATOM 409 O HIS A 27 11.179 8.573 -12.645 1.00 0.00 O ATOM 410 CB HIS A 27 10.388 6.330 -10.614 1.00 0.00 C ATOM 411 CG HIS A 27 11.316 5.811 -11.687 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.915 5.625 -12.998 1.00 0.00 N ATOM 413 CD2 HIS A 27 12.628 5.442 -11.629 1.00 0.00 C ATOM 414 CE1 HIS A 27 11.947 5.164 -13.689 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.007 5.050 -12.839 1.00 0.00 N ATOM 0 H HIS A 27 8.550 7.578 -9.474 1.00 0.00 H new ATOM 0 HA HIS A 27 11.303 8.158 -10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.694 5.917 -9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.380 5.964 -10.812 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.252 5.465 -10.748 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.948 4.921 -14.741 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.938 4.718 -13.091 1.00 0.00 H new ATOM 423 N LYS A 28 9.034 9.071 -12.122 1.00 0.00 N ATOM 424 CA LYS A 28 8.770 9.753 -13.378 1.00 0.00 C ATOM 425 C LYS A 28 9.525 11.084 -13.399 1.00 0.00 C ATOM 426 O LYS A 28 9.811 11.623 -14.466 1.00 0.00 O ATOM 427 CB LYS A 28 7.264 9.897 -13.603 1.00 0.00 C ATOM 428 CG LYS A 28 6.945 10.054 -15.091 1.00 0.00 C ATOM 429 CD LYS A 28 5.495 10.497 -15.296 1.00 0.00 C ATOM 430 CE LYS A 28 5.157 10.594 -16.785 1.00 0.00 C ATOM 431 NZ LYS A 28 4.217 11.710 -17.032 1.00 0.00 N ATOM 0 H LYS A 28 8.244 9.043 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 28 9.139 9.163 -14.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.748 9.022 -13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.892 10.762 -13.054 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.619 10.786 -15.536 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.117 9.108 -15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.823 9.789 -14.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.336 11.464 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.069 10.745 -17.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.716 9.657 -17.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.998 11.761 -18.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.340 11.550 -16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.651 12.604 -16.726 1.00 0.00 H new ATOM 444 N THR A 29 9.826 11.575 -12.205 1.00 0.00 N ATOM 445 CA THR A 29 10.542 12.833 -12.073 1.00 0.00 C ATOM 446 C THR A 29 12.021 12.644 -12.418 1.00 0.00 C ATOM 447 O THR A 29 12.686 13.585 -12.849 1.00 0.00 O ATOM 448 CB THR A 29 10.311 13.361 -10.656 1.00 0.00 C ATOM 449 OG1 THR A 29 11.138 12.536 -9.839 1.00 0.00 O ATOM 450 CG2 THR A 29 8.894 13.085 -10.151 1.00 0.00 C ATOM 0 H THR A 29 9.587 11.125 -11.321 1.00 0.00 H new ATOM 0 HA THR A 29 10.169 13.577 -12.778 1.00 0.00 H new ATOM 0 HB THR A 29 10.501 14.434 -10.634 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.575 11.954 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.784 13.480 -9.141 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.172 13.568 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.714 12.010 -10.141 1.00 0.00 H new ATOM 458 N ASP A 30 12.490 11.422 -12.215 1.00 0.00 N ATOM 459 CA ASP A 30 13.878 11.098 -12.499 1.00 0.00 C ATOM 460 C ASP A 30 14.072 10.985 -14.013 1.00 0.00 C ATOM 461 O ASP A 30 15.192 11.096 -14.509 1.00 0.00 O ATOM 462 CB ASP A 30 14.271 9.758 -11.872 1.00 0.00 C ATOM 463 CG ASP A 30 14.918 9.857 -10.490 1.00 0.00 C ATOM 464 OD1 ASP A 30 16.148 9.958 -10.366 1.00 0.00 O ATOM 465 OD2 ASP A 30 14.095 9.826 -9.498 1.00 0.00 O ATOM 0 H ASP A 30 11.934 10.645 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 30 14.500 11.889 -12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.380 9.134 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.961 9.248 -12.544 1.00 0.00 H new ATOM 471 N SER A 31 12.963 10.768 -14.705 1.00 0.00 N ATOM 472 CA SER A 31 12.996 10.640 -16.152 1.00 0.00 C ATOM 473 C SER A 31 13.514 11.935 -16.780 1.00 0.00 C ATOM 474 O SER A 31 13.985 11.933 -17.916 1.00 0.00 O ATOM 475 CB SER A 31 11.612 10.297 -16.706 1.00 0.00 C ATOM 476 OG SER A 31 11.658 9.202 -17.617 1.00 0.00 O ATOM 0 H SER A 31 12.036 10.678 -14.290 1.00 0.00 H new ATOM 0 HA SER A 31 13.672 9.824 -16.408 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.941 10.055 -15.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.196 11.170 -17.209 1.00 0.00 H new ATOM 0 HG SER A 31 10.755 9.013 -17.947 1.00 0.00 H new ATOM 482 N PHE A 32 13.409 13.010 -16.012 1.00 0.00 N ATOM 483 CA PHE A 32 13.861 14.310 -16.479 1.00 0.00 C ATOM 484 C PHE A 32 15.389 14.388 -16.493 1.00 0.00 C ATOM 485 O PHE A 32 15.960 15.388 -16.925 1.00 0.00 O ATOM 486 CB PHE A 32 13.318 15.351 -15.499 1.00 0.00 C ATOM 487 CG PHE A 32 11.915 15.857 -15.843 1.00 0.00 C ATOM 488 CD1 PHE A 32 10.822 15.167 -15.421 1.00 0.00 C ATOM 489 CD2 PHE A 32 11.762 16.996 -16.570 1.00 0.00 C ATOM 490 CE1 PHE A 32 9.519 15.636 -15.740 1.00 0.00 C ATOM 491 CE2 PHE A 32 10.459 17.465 -16.889 1.00 0.00 C ATOM 492 CZ PHE A 32 9.366 16.775 -16.467 1.00 0.00 C ATOM 0 H PHE A 32 13.018 13.007 -15.070 1.00 0.00 H new ATOM 0 HA PHE A 32 13.506 14.484 -17.495 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.302 14.919 -14.498 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.002 16.199 -15.470 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.944 14.263 -14.843 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.630 17.544 -16.905 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.651 15.088 -15.405 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.337 18.369 -17.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.376 17.132 -16.709 1.00 0.00 H new ATOM 502 N VAL A 33 16.008 13.318 -16.014 1.00 0.00 N ATOM 503 CA VAL A 33 17.458 13.252 -15.964 1.00 0.00 C ATOM 504 C VAL A 33 18.020 13.424 -17.377 1.00 0.00 C ATOM 505 O VAL A 33 19.197 13.741 -17.547 1.00 0.00 O ATOM 506 CB VAL A 33 17.901 11.948 -15.299 1.00 0.00 C ATOM 507 CG1 VAL A 33 17.582 10.743 -16.187 1.00 0.00 C ATOM 508 CG2 VAL A 33 19.389 11.990 -14.944 1.00 0.00 C ATOM 0 H VAL A 33 15.531 12.490 -15.657 1.00 0.00 H new ATOM 0 HA VAL A 33 17.856 14.063 -15.354 1.00 0.00 H new ATOM 0 HB VAL A 33 17.339 11.838 -14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.907 9.829 -15.690 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.508 10.697 -16.365 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.104 10.844 -17.139 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.677 11.050 -14.473 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.975 12.136 -15.851 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.576 12.814 -14.255 1.00 0.00 H new ATOM 518 N GLY A 34 17.154 13.205 -18.355 1.00 0.00 N ATOM 519 CA GLY A 34 17.549 13.331 -19.747 1.00 0.00 C ATOM 520 C GLY A 34 17.453 14.785 -20.215 1.00 0.00 C ATOM 521 O GLY A 34 17.968 15.134 -21.275 1.00 0.00 O ATOM 0 H GLY A 34 16.179 12.941 -18.211 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.570 12.971 -19.873 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.911 12.702 -20.368 1.00 0.00 H new ATOM 525 N LEU A 35 16.791 15.593 -19.400 1.00 0.00 N ATOM 526 CA LEU A 35 16.621 17.001 -19.717 1.00 0.00 C ATOM 527 C LEU A 35 17.791 17.796 -19.133 1.00 0.00 C ATOM 528 O LEU A 35 17.720 19.018 -19.021 1.00 0.00 O ATOM 529 CB LEU A 35 15.249 17.493 -19.250 1.00 0.00 C ATOM 530 CG LEU A 35 14.389 18.183 -20.311 1.00 0.00 C ATOM 531 CD1 LEU A 35 15.113 19.394 -20.903 1.00 0.00 C ATOM 532 CD2 LEU A 35 13.951 17.193 -21.392 1.00 0.00 C ATOM 0 H LEU A 35 16.366 15.300 -18.520 1.00 0.00 H new ATOM 0 HA LEU A 35 16.639 17.154 -20.796 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.693 16.641 -18.858 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.396 18.187 -18.422 1.00 0.00 H new ATOM 0 HG LEU A 35 13.485 18.553 -19.828 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.479 19.865 -21.654 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.331 20.110 -20.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.045 19.070 -21.366 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.341 17.710 -22.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.831 16.771 -21.877 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.368 16.392 -20.937 1.00 0.00 H new ATOM 544 N MET A 36 18.839 17.068 -18.776 1.00 0.00 N ATOM 545 CA MET A 36 20.022 17.689 -18.206 1.00 0.00 C ATOM 546 C MET A 36 20.837 18.408 -19.284 1.00 0.00 C ATOM 547 O MET A 36 20.763 18.057 -20.460 1.00 0.00 O ATOM 548 CB MET A 36 20.889 16.621 -17.538 1.00 0.00 C ATOM 549 CG MET A 36 20.943 16.827 -16.023 1.00 0.00 C ATOM 550 SD MET A 36 20.672 15.274 -15.186 1.00 0.00 S ATOM 551 CE MET A 36 20.068 15.870 -13.615 1.00 0.00 C ATOM 0 H MET A 36 18.893 16.054 -18.871 1.00 0.00 H new ATOM 0 HA MET A 36 19.703 18.424 -17.467 1.00 0.00 H new ATOM 0 HB2 MET A 36 20.489 15.632 -17.760 1.00 0.00 H new ATOM 0 HB3 MET A 36 21.898 16.657 -17.950 1.00 0.00 H new ATOM 0 HG2 MET A 36 21.911 17.239 -15.738 1.00 0.00 H new ATOM 0 HG3 MET A 36 20.187 17.550 -15.719 1.00 0.00 H new ATOM 0 HE1 MET A 36 19.848 15.023 -12.965 1.00 0.00 H new ATOM 0 HE2 MET A 36 20.827 16.498 -13.148 1.00 0.00 H new ATOM 0 HE3 MET A 36 19.160 16.453 -13.772 1.00 0.00 H new TER 561 MET A 36