USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 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+ -169:sc= -0.102 (180deg=-0.396) USER MOD Single : A 4 SER OG : rot 180:sc= 0 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= -0.361 X(o=-0.36,f=-0.27) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0318) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.0397 K(o=-0.04,f=-1.3) USER MOD Single : A 21 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.91) USER MOD Single : A 23 SER OG : rot -100:sc= 1.33 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= -0.952 X(o=-0.95,f=-0.57) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.412 (180deg=-0.782) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.565 -23.966 9.720 1.00 0.00 N ATOM 2 CA ASP A 1 -13.447 -23.580 8.878 1.00 0.00 C ATOM 3 C ASP A 1 -13.977 -22.906 7.611 1.00 0.00 C ATOM 4 O ASP A 1 -13.231 -22.226 6.907 1.00 0.00 O ATOM 5 CB ASP A 1 -12.628 -24.803 8.456 1.00 0.00 C ATOM 6 CG ASP A 1 -11.736 -25.392 9.551 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.865 -25.046 10.735 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.868 -26.254 9.141 1.00 0.00 O ATOM 0 H1 ASP A 1 -14.212 -24.252 10.656 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.214 -23.161 9.826 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.070 -24.763 9.282 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.814 -22.901 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.312 -25.578 8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.002 -24.527 7.607 1.00 0.00 H new ATOM 14 N ALA A 2 -15.259 -23.118 7.358 1.00 0.00 N ATOM 15 CA ALA A 2 -15.897 -22.540 6.188 1.00 0.00 C ATOM 16 C ALA A 2 -16.063 -21.033 6.395 1.00 0.00 C ATOM 17 O ALA A 2 -16.201 -20.281 5.431 1.00 0.00 O ATOM 18 CB ALA A 2 -17.232 -23.243 5.933 1.00 0.00 C ATOM 0 H ALA A 2 -15.874 -23.683 7.944 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.278 -22.686 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.710 -22.809 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.057 -24.305 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.881 -23.116 6.799 1.00 0.00 H new ATOM 24 N ASP A 3 -16.044 -20.636 7.660 1.00 0.00 N ATOM 25 CA ASP A 3 -16.190 -19.233 8.006 1.00 0.00 C ATOM 26 C ASP A 3 -14.904 -18.486 7.647 1.00 0.00 C ATOM 27 O ASP A 3 -14.903 -17.262 7.535 1.00 0.00 O ATOM 28 CB ASP A 3 -16.435 -19.059 9.507 1.00 0.00 C ATOM 29 CG ASP A 3 -17.870 -19.330 9.962 1.00 0.00 C ATOM 30 OD1 ASP A 3 -18.358 -20.468 9.894 1.00 0.00 O ATOM 31 OD2 ASP A 3 -18.504 -18.299 10.410 1.00 0.00 O ATOM 0 H ASP A 3 -15.930 -21.262 8.457 1.00 0.00 H new ATOM 0 HA ASP A 3 -17.041 -18.836 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.765 -19.727 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.166 -18.041 9.788 1.00 0.00 H new ATOM 37 N SER A 4 -13.839 -19.256 7.478 1.00 0.00 N ATOM 38 CA SER A 4 -12.549 -18.683 7.134 1.00 0.00 C ATOM 39 C SER A 4 -12.644 -17.943 5.798 1.00 0.00 C ATOM 40 O SER A 4 -11.760 -17.161 5.453 1.00 0.00 O ATOM 41 CB SER A 4 -11.467 -19.762 7.067 1.00 0.00 C ATOM 42 OG SER A 4 -11.130 -20.261 8.359 1.00 0.00 O ATOM 0 H SER A 4 -13.843 -20.272 7.573 1.00 0.00 H new ATOM 0 HA SER A 4 -12.270 -17.975 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.813 -20.584 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.575 -19.352 6.593 1.00 0.00 H new ATOM 0 HG SER A 4 -10.437 -20.949 8.274 1.00 0.00 H new ATOM 48 N SER A 5 -13.724 -18.218 5.082 1.00 0.00 N ATOM 49 CA SER A 5 -13.946 -17.588 3.791 1.00 0.00 C ATOM 50 C SER A 5 -13.919 -16.066 3.940 1.00 0.00 C ATOM 51 O SER A 5 -13.676 -15.347 2.971 1.00 0.00 O ATOM 52 CB SER A 5 -15.275 -18.038 3.180 1.00 0.00 C ATOM 53 OG SER A 5 -15.191 -18.179 1.765 1.00 0.00 O ATOM 0 H SER A 5 -14.455 -18.868 5.371 1.00 0.00 H new ATOM 0 HA SER A 5 -13.145 -17.895 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.574 -18.989 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.051 -17.314 3.427 1.00 0.00 H new ATOM 0 HG SER A 5 -16.058 -18.469 1.413 1.00 0.00 H new ATOM 59 N ILE A 6 -14.171 -15.618 5.161 1.00 0.00 N ATOM 60 CA ILE A 6 -14.179 -14.194 5.449 1.00 0.00 C ATOM 61 C ILE A 6 -12.785 -13.618 5.190 1.00 0.00 C ATOM 62 O ILE A 6 -12.627 -12.406 5.046 1.00 0.00 O ATOM 63 CB ILE A 6 -14.697 -13.936 6.865 1.00 0.00 C ATOM 64 CG1 ILE A 6 -15.089 -12.469 7.048 1.00 0.00 C ATOM 65 CG2 ILE A 6 -13.679 -14.391 7.913 1.00 0.00 C ATOM 66 CD1 ILE A 6 -16.285 -12.334 7.993 1.00 0.00 C ATOM 0 H ILE A 6 -14.371 -16.216 5.962 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.868 -13.675 4.783 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.599 -14.531 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.242 -11.910 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -15.334 -12.031 6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -14.072 -14.196 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.492 -15.459 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.747 -13.843 7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.543 -11.281 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -17.137 -12.874 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -16.028 -12.751 8.967 1.00 0.00 H new ATOM 78 N GLU A 7 -11.810 -14.513 5.139 1.00 0.00 N ATOM 79 CA GLU A 7 -10.435 -14.109 4.900 1.00 0.00 C ATOM 80 C GLU A 7 -10.283 -13.560 3.480 1.00 0.00 C ATOM 81 O GLU A 7 -9.254 -12.974 3.144 1.00 0.00 O ATOM 82 CB GLU A 7 -9.471 -15.273 5.144 1.00 0.00 C ATOM 83 CG GLU A 7 -9.470 -16.242 3.960 1.00 0.00 C ATOM 84 CD GLU A 7 -8.618 -17.475 4.262 1.00 0.00 C ATOM 85 OE1 GLU A 7 -7.611 -17.716 3.580 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.035 -18.198 5.247 1.00 0.00 O ATOM 0 H GLU A 7 -11.945 -15.517 5.259 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.182 -13.317 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.464 -14.888 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.758 -15.803 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.492 -16.548 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.085 -15.738 3.073 1.00 0.00 H new ATOM 94 N LYS A 8 -11.321 -13.770 2.684 1.00 0.00 N ATOM 95 CA LYS A 8 -11.315 -13.302 1.308 1.00 0.00 C ATOM 96 C LYS A 8 -11.026 -11.801 1.285 1.00 0.00 C ATOM 97 O LYS A 8 -10.593 -11.263 0.267 1.00 0.00 O ATOM 98 CB LYS A 8 -12.618 -13.689 0.605 1.00 0.00 C ATOM 99 CG LYS A 8 -12.431 -14.950 -0.242 1.00 0.00 C ATOM 100 CD LYS A 8 -11.572 -14.659 -1.474 1.00 0.00 C ATOM 101 CE LYS A 8 -10.780 -15.899 -1.893 1.00 0.00 C ATOM 102 NZ LYS A 8 -9.738 -15.538 -2.881 1.00 0.00 N ATOM 0 H LYS A 8 -12.172 -14.258 2.965 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.519 -13.788 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.399 -13.857 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.951 -12.867 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.961 -15.729 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.404 -15.331 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.208 -14.334 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.886 -13.840 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.317 -16.355 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.454 -16.641 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.209 -16.391 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.186 -15.123 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.085 -14.846 -2.460 1.00 0.00 H new ATOM 115 N GLN A 9 -11.278 -11.164 2.420 1.00 0.00 N ATOM 116 CA GLN A 9 -11.051 -9.734 2.543 1.00 0.00 C ATOM 117 C GLN A 9 -9.560 -9.420 2.398 1.00 0.00 C ATOM 118 O GLN A 9 -9.177 -8.258 2.261 1.00 0.00 O ATOM 119 CB GLN A 9 -11.596 -9.205 3.870 1.00 0.00 C ATOM 120 CG GLN A 9 -13.124 -9.119 3.840 1.00 0.00 C ATOM 121 CD GLN A 9 -13.592 -7.996 2.912 1.00 0.00 C ATOM 122 OE1 GLN A 9 -13.529 -6.821 3.236 1.00 0.00 O ATOM 123 NE2 GLN A 9 -14.063 -8.421 1.744 1.00 0.00 N ATOM 0 H GLN A 9 -11.637 -11.613 3.263 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.589 -9.229 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.281 -9.859 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.177 -8.220 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.539 -10.069 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.502 -8.944 4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.087 -9.419 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -14.400 -7.749 1.055 1.00 0.00 H new ATOM 132 N VAL A 10 -8.759 -10.475 2.431 1.00 0.00 N ATOM 133 CA VAL A 10 -7.319 -10.325 2.305 1.00 0.00 C ATOM 134 C VAL A 10 -6.997 -9.644 0.973 1.00 0.00 C ATOM 135 O VAL A 10 -5.953 -9.008 0.835 1.00 0.00 O ATOM 136 CB VAL A 10 -6.637 -11.685 2.461 1.00 0.00 C ATOM 137 CG1 VAL A 10 -6.710 -12.172 3.909 1.00 0.00 C ATOM 138 CG2 VAL A 10 -7.242 -12.715 1.505 1.00 0.00 C ATOM 0 H VAL A 10 -9.080 -11.437 2.543 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.929 -9.688 3.099 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.585 -11.564 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.218 -13.141 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.211 -11.454 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.754 -12.268 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.739 -13.673 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.304 -12.831 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.114 -12.376 0.477 1.00 0.00 H new ATOM 148 N ALA A 11 -7.912 -9.799 0.028 1.00 0.00 N ATOM 149 CA ALA A 11 -7.738 -9.206 -1.287 1.00 0.00 C ATOM 150 C ALA A 11 -7.997 -7.701 -1.202 1.00 0.00 C ATOM 151 O ALA A 11 -7.491 -6.933 -2.019 1.00 0.00 O ATOM 152 CB ALA A 11 -8.664 -9.901 -2.287 1.00 0.00 C ATOM 0 H ALA A 11 -8.777 -10.327 0.147 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.715 -9.345 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.534 -9.456 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.420 -10.962 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.699 -9.780 -1.969 1.00 0.00 H new ATOM 158 N LEU A 12 -8.785 -7.323 -0.205 1.00 0.00 N ATOM 159 CA LEU A 12 -9.117 -5.924 -0.003 1.00 0.00 C ATOM 160 C LEU A 12 -7.911 -5.200 0.599 1.00 0.00 C ATOM 161 O LEU A 12 -7.774 -3.986 0.450 1.00 0.00 O ATOM 162 CB LEU A 12 -10.393 -5.791 0.831 1.00 0.00 C ATOM 163 CG LEU A 12 -11.413 -4.762 0.339 1.00 0.00 C ATOM 164 CD1 LEU A 12 -12.604 -5.448 -0.332 1.00 0.00 C ATOM 165 CD2 LEU A 12 -11.850 -3.836 1.476 1.00 0.00 C ATOM 0 H LEU A 12 -9.203 -7.962 0.471 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.335 -5.443 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.880 -6.765 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.111 -5.534 1.852 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.933 -4.140 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.314 -4.694 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.255 -6.030 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.093 -6.110 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.575 -3.114 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.305 -4.426 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.982 -3.307 1.868 1.00 0.00 H new ATOM 177 N LEU A 13 -7.068 -5.975 1.265 1.00 0.00 N ATOM 178 CA LEU A 13 -5.878 -5.422 1.890 1.00 0.00 C ATOM 179 C LEU A 13 -4.837 -5.115 0.812 1.00 0.00 C ATOM 180 O LEU A 13 -3.966 -4.269 1.008 1.00 0.00 O ATOM 181 CB LEU A 13 -5.368 -6.356 2.989 1.00 0.00 C ATOM 182 CG LEU A 13 -4.390 -5.740 3.992 1.00 0.00 C ATOM 183 CD1 LEU A 13 -5.126 -4.868 5.011 1.00 0.00 C ATOM 184 CD2 LEU A 13 -3.543 -6.820 4.667 1.00 0.00 C ATOM 0 H LEU A 13 -7.185 -6.981 1.386 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.111 -4.480 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.227 -6.741 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.883 -7.210 2.516 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.706 -5.090 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.408 -4.443 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.647 -4.063 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.848 -5.476 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.857 -6.355 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.194 -7.515 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.973 -7.361 3.911 1.00 0.00 H new ATOM 196 N LYS A 14 -4.962 -5.820 -0.304 1.00 0.00 N ATOM 197 CA LYS A 14 -4.043 -5.633 -1.413 1.00 0.00 C ATOM 198 C LYS A 14 -4.377 -4.324 -2.132 1.00 0.00 C ATOM 199 O LYS A 14 -3.518 -3.737 -2.790 1.00 0.00 O ATOM 200 CB LYS A 14 -4.053 -6.858 -2.330 1.00 0.00 C ATOM 201 CG LYS A 14 -2.996 -7.876 -1.898 1.00 0.00 C ATOM 202 CD LYS A 14 -3.633 -9.231 -1.588 1.00 0.00 C ATOM 203 CE LYS A 14 -3.327 -10.246 -2.691 1.00 0.00 C ATOM 204 NZ LYS A 14 -1.914 -10.682 -2.616 1.00 0.00 N ATOM 0 H LYS A 14 -5.686 -6.521 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.020 -5.545 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.039 -7.322 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.866 -6.548 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.253 -7.992 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.470 -7.508 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.260 -9.602 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.712 -9.115 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.986 -11.109 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.526 -9.803 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.781 -11.530 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.297 -9.920 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.671 -10.902 -1.629 1.00 0.00 H new ATOM 217 N ALA A 15 -5.624 -3.906 -1.982 1.00 0.00 N ATOM 218 CA ALA A 15 -6.082 -2.677 -2.609 1.00 0.00 C ATOM 219 C ALA A 15 -5.523 -1.478 -1.839 1.00 0.00 C ATOM 220 O ALA A 15 -5.387 -0.389 -2.394 1.00 0.00 O ATOM 221 CB ALA A 15 -7.611 -2.672 -2.667 1.00 0.00 C ATOM 0 H ALA A 15 -6.332 -4.396 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.717 -2.610 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.954 -1.750 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.956 -3.527 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.014 -2.735 -1.656 1.00 0.00 H new ATOM 227 N LEU A 16 -5.217 -1.720 -0.573 1.00 0.00 N ATOM 228 CA LEU A 16 -4.676 -0.674 0.279 1.00 0.00 C ATOM 229 C LEU A 16 -3.212 -0.426 -0.091 1.00 0.00 C ATOM 230 O LEU A 16 -2.689 0.665 0.127 1.00 0.00 O ATOM 231 CB LEU A 16 -4.889 -1.020 1.753 1.00 0.00 C ATOM 232 CG LEU A 16 -6.221 -0.577 2.362 1.00 0.00 C ATOM 233 CD1 LEU A 16 -7.237 -1.721 2.350 1.00 0.00 C ATOM 234 CD2 LEU A 16 -6.020 -0.005 3.766 1.00 0.00 C ATOM 0 H LEU A 16 -5.333 -2.625 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.208 0.263 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.801 -2.100 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.081 -0.571 2.331 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.629 0.223 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.175 -1.379 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.412 -2.041 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.849 -2.558 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.983 0.302 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.578 -0.766 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.355 0.858 3.716 1.00 0.00 H new ATOM 246 N TYR A 17 -2.592 -1.460 -0.643 1.00 0.00 N ATOM 247 CA TYR A 17 -1.199 -1.368 -1.045 1.00 0.00 C ATOM 248 C TYR A 17 -1.051 -0.550 -2.329 1.00 0.00 C ATOM 249 O TYR A 17 0.025 -0.023 -2.613 1.00 0.00 O ATOM 250 CB TYR A 17 -0.743 -2.803 -1.314 1.00 0.00 C ATOM 251 CG TYR A 17 -0.082 -3.482 -0.112 1.00 0.00 C ATOM 252 CD1 TYR A 17 1.239 -3.218 0.189 1.00 0.00 C ATOM 253 CD2 TYR A 17 -0.807 -4.357 0.671 1.00 0.00 C ATOM 254 CE1 TYR A 17 1.861 -3.857 1.320 1.00 0.00 C ATOM 255 CE2 TYR A 17 -0.185 -4.996 1.803 1.00 0.00 C ATOM 256 CZ TYR A 17 1.118 -4.714 2.071 1.00 0.00 C ATOM 257 OH TYR A 17 1.706 -5.317 3.139 1.00 0.00 O ATOM 0 H TYR A 17 -3.029 -2.364 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.608 -0.879 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.604 -3.395 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.041 -2.800 -2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.806 -2.532 -0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.841 -4.563 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.894 -3.660 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.741 -5.683 2.424 1.00 0.00 H new ATOM 0 HH TYR A 17 1.057 -5.901 3.583 1.00 0.00 H new ATOM 267 N GLY A 18 -2.146 -0.467 -3.070 1.00 0.00 N ATOM 268 CA GLY A 18 -2.151 0.278 -4.317 1.00 0.00 C ATOM 269 C GLY A 18 -1.793 1.746 -4.079 1.00 0.00 C ATOM 270 O GLY A 18 -1.431 2.460 -5.013 1.00 0.00 O ATOM 0 H GLY A 18 -3.036 -0.904 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.439 -0.166 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.135 0.210 -4.781 1.00 0.00 H new ATOM 274 N HIS A 19 -1.907 2.155 -2.824 1.00 0.00 N ATOM 275 CA HIS A 19 -1.599 3.525 -2.452 1.00 0.00 C ATOM 276 C HIS A 19 -0.085 3.742 -2.497 1.00 0.00 C ATOM 277 O HIS A 19 0.383 4.880 -2.501 1.00 0.00 O ATOM 278 CB HIS A 19 -2.206 3.868 -1.089 1.00 0.00 C ATOM 279 CG HIS A 19 -1.239 3.739 0.063 1.00 0.00 C ATOM 280 ND1 HIS A 19 -0.613 2.548 0.389 1.00 0.00 N ATOM 281 CD2 HIS A 19 -0.797 4.665 0.963 1.00 0.00 C ATOM 282 CE1 HIS A 19 0.167 2.759 1.438 1.00 0.00 C ATOM 283 NE2 HIS A 19 0.051 4.071 1.793 1.00 0.00 N ATOM 0 H HIS A 19 -2.209 1.561 -2.052 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.051 4.210 -3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.586 4.889 -1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.060 3.215 -0.908 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.732 1.659 -0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.088 5.705 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.786 2.022 1.927 1.00 0.00 H new ATOM 291 N GLY A 20 0.639 2.632 -2.532 1.00 0.00 N ATOM 292 CA GLY A 20 2.090 2.687 -2.577 1.00 0.00 C ATOM 293 C GLY A 20 2.579 3.106 -3.965 1.00 0.00 C ATOM 294 O GLY A 20 3.727 3.519 -4.124 1.00 0.00 O ATOM 0 H GLY A 20 0.247 1.690 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.454 3.393 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.503 1.711 -2.321 1.00 0.00 H new ATOM 298 N GLN A 21 1.685 2.985 -4.935 1.00 0.00 N ATOM 299 CA GLN A 21 2.011 3.345 -6.304 1.00 0.00 C ATOM 300 C GLN A 21 2.256 4.851 -6.412 1.00 0.00 C ATOM 301 O GLN A 21 2.821 5.323 -7.398 1.00 0.00 O ATOM 302 CB GLN A 21 0.909 2.899 -7.266 1.00 0.00 C ATOM 303 CG GLN A 21 -0.279 3.862 -7.225 1.00 0.00 C ATOM 304 CD GLN A 21 -0.409 4.629 -8.542 1.00 0.00 C ATOM 305 OE1 GLN A 21 0.551 4.836 -9.267 1.00 0.00 O ATOM 306 NE2 GLN A 21 -1.645 5.037 -8.810 1.00 0.00 N ATOM 0 H GLN A 21 0.734 2.642 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 21 2.927 2.826 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.305 2.848 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.577 1.895 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.196 3.306 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.154 4.565 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.403 4.830 -8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.836 5.557 -9.666 1.00 0.00 H new ATOM 315 N ILE A 22 1.820 5.566 -5.384 1.00 0.00 N ATOM 316 CA ILE A 22 1.985 7.009 -5.351 1.00 0.00 C ATOM 317 C ILE A 22 3.371 7.346 -4.799 1.00 0.00 C ATOM 318 O ILE A 22 3.676 8.512 -4.547 1.00 0.00 O ATOM 319 CB ILE A 22 0.839 7.661 -4.577 1.00 0.00 C ATOM 320 CG1 ILE A 22 0.578 9.084 -5.076 1.00 0.00 C ATOM 321 CG2 ILE A 22 1.103 7.622 -3.070 1.00 0.00 C ATOM 322 CD1 ILE A 22 -0.527 9.100 -6.133 1.00 0.00 C ATOM 0 H ILE A 22 1.352 5.172 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 22 1.934 7.422 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.068 7.084 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.294 9.721 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.494 9.500 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.273 8.092 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.200 6.586 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.025 8.160 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.693 10.123 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.229 8.482 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.448 8.706 -5.703 1.00 0.00 H new ATOM 334 N SER A 23 4.174 6.307 -4.627 1.00 0.00 N ATOM 335 CA SER A 23 5.521 6.479 -4.109 1.00 0.00 C ATOM 336 C SER A 23 6.480 6.825 -5.251 1.00 0.00 C ATOM 337 O SER A 23 7.542 7.400 -5.021 1.00 0.00 O ATOM 338 CB SER A 23 5.996 5.221 -3.380 1.00 0.00 C ATOM 339 OG SER A 23 6.184 4.126 -4.272 1.00 0.00 O ATOM 0 H SER A 23 3.918 5.342 -4.837 1.00 0.00 H new ATOM 0 HA SER A 23 5.509 7.299 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.932 5.433 -2.864 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.267 4.947 -2.618 1.00 0.00 H new ATOM 0 HG SER A 23 5.407 3.530 -4.227 1.00 0.00 H new ATOM 345 N HIS A 24 6.070 6.458 -6.456 1.00 0.00 N ATOM 346 CA HIS A 24 6.880 6.722 -7.633 1.00 0.00 C ATOM 347 C HIS A 24 6.988 8.231 -7.855 1.00 0.00 C ATOM 348 O HIS A 24 7.916 8.703 -8.510 1.00 0.00 O ATOM 349 CB HIS A 24 6.324 5.982 -8.852 1.00 0.00 C ATOM 350 CG HIS A 24 6.223 4.487 -8.670 1.00 0.00 C ATOM 351 ND1 HIS A 24 5.150 3.746 -9.134 1.00 0.00 N ATOM 352 CD2 HIS A 24 7.070 3.602 -8.069 1.00 0.00 C ATOM 353 CE1 HIS A 24 5.353 2.475 -8.821 1.00 0.00 C ATOM 354 NE2 HIS A 24 6.544 2.388 -8.161 1.00 0.00 N ATOM 0 H HIS A 24 5.188 5.980 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 24 7.889 6.340 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.335 6.377 -9.084 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.960 6.191 -9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.010 3.849 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.692 1.652 -9.048 1.00 0.00 H new ATOM 0 HE2 HIS A 24 6.961 1.531 -7.798 1.00 0.00 H new ATOM 362 N LYS A 25 6.025 8.950 -7.296 1.00 0.00 N ATOM 363 CA LYS A 25 5.999 10.397 -7.423 1.00 0.00 C ATOM 364 C LYS A 25 7.141 10.997 -6.600 1.00 0.00 C ATOM 365 O LYS A 25 7.568 12.122 -6.854 1.00 0.00 O ATOM 366 CB LYS A 25 4.620 10.944 -7.051 1.00 0.00 C ATOM 367 CG LYS A 25 4.548 12.455 -7.279 1.00 0.00 C ATOM 368 CD LYS A 25 3.757 12.782 -8.546 1.00 0.00 C ATOM 369 CE LYS A 25 4.028 14.215 -9.008 1.00 0.00 C ATOM 370 NZ LYS A 25 3.505 14.427 -10.376 1.00 0.00 N ATOM 0 H LYS A 25 5.256 8.556 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 25 6.163 10.691 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.855 10.446 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.406 10.720 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.079 12.934 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.556 12.862 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.027 12.084 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.691 12.653 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.560 14.920 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.100 14.413 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.698 15.405 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.970 13.767 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.479 14.258 -10.385 1.00 0.00 H new ATOM 383 N ARG A 26 7.602 10.219 -5.631 1.00 0.00 N ATOM 384 CA ARG A 26 8.686 10.660 -4.770 1.00 0.00 C ATOM 385 C ARG A 26 10.037 10.394 -5.438 1.00 0.00 C ATOM 386 O ARG A 26 11.038 11.019 -5.091 1.00 0.00 O ATOM 387 CB ARG A 26 8.642 9.944 -3.418 1.00 0.00 C ATOM 388 CG ARG A 26 8.098 10.866 -2.325 1.00 0.00 C ATOM 389 CD ARG A 26 7.059 10.144 -1.465 1.00 0.00 C ATOM 390 NE ARG A 26 7.696 9.616 -0.239 1.00 0.00 N ATOM 391 CZ ARG A 26 8.236 10.389 0.727 1.00 0.00 C ATOM 392 NH1 ARG A 26 8.221 11.734 0.616 1.00 0.00 N ATOM 393 NH2 ARG A 26 8.780 9.810 1.781 1.00 0.00 N ATOM 0 H ARG A 26 7.245 9.286 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 26 8.564 11.730 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.016 9.055 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.643 9.606 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.918 11.213 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.649 11.749 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.254 10.830 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.609 9.328 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 26 7.729 8.604 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.799 12.174 -0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.631 12.311 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.788 8.793 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.192 10.380 2.520 1.00 0.00 H new ATOM 406 N HIS A 27 10.020 9.466 -6.383 1.00 0.00 N ATOM 407 CA HIS A 27 11.231 9.110 -7.101 1.00 0.00 C ATOM 408 C HIS A 27 11.695 10.297 -7.947 1.00 0.00 C ATOM 409 O HIS A 27 12.830 10.321 -8.421 1.00 0.00 O ATOM 410 CB HIS A 27 11.019 7.840 -7.930 1.00 0.00 C ATOM 411 CG HIS A 27 11.984 7.688 -9.080 1.00 0.00 C ATOM 412 ND1 HIS A 27 13.066 6.825 -9.042 1.00 0.00 N ATOM 413 CD2 HIS A 27 12.019 8.296 -10.301 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.716 6.918 -10.193 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.067 7.831 -10.971 1.00 0.00 N ATOM 0 H HIS A 27 9.187 8.950 -6.668 1.00 0.00 H new ATOM 0 HA HIS A 27 12.025 8.882 -6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.110 6.973 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.001 7.839 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.314 9.031 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.604 6.367 -10.467 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.341 8.111 -11.913 1.00 0.00 H new ATOM 423 N LYS A 28 10.794 11.254 -8.111 1.00 0.00 N ATOM 424 CA LYS A 28 11.096 12.443 -8.890 1.00 0.00 C ATOM 425 C LYS A 28 11.901 13.419 -8.031 1.00 0.00 C ATOM 426 O LYS A 28 12.640 14.251 -8.557 1.00 0.00 O ATOM 427 CB LYS A 28 9.813 13.044 -9.468 1.00 0.00 C ATOM 428 CG LYS A 28 9.072 13.869 -8.415 1.00 0.00 C ATOM 429 CD LYS A 28 9.507 15.336 -8.460 1.00 0.00 C ATOM 430 CE LYS A 28 8.663 16.188 -7.510 1.00 0.00 C ATOM 431 NZ LYS A 28 9.158 17.583 -7.486 1.00 0.00 N ATOM 0 H LYS A 28 9.853 11.230 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 28 11.716 12.189 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.056 13.674 -10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.165 12.246 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.997 13.800 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.266 13.459 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.559 15.415 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.412 15.716 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.620 16.171 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.698 15.766 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.574 18.147 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.146 17.595 -7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.102 17.988 -8.442 1.00 0.00 H new ATOM 444 N THR A 29 11.732 13.286 -6.724 1.00 0.00 N ATOM 445 CA THR A 29 12.434 14.147 -5.788 1.00 0.00 C ATOM 446 C THR A 29 13.904 13.735 -5.682 1.00 0.00 C ATOM 447 O THR A 29 14.758 14.551 -5.342 1.00 0.00 O ATOM 448 CB THR A 29 11.691 14.097 -4.450 1.00 0.00 C ATOM 449 OG1 THR A 29 11.979 15.354 -3.846 1.00 0.00 O ATOM 450 CG2 THR A 29 12.293 13.073 -3.485 1.00 0.00 C ATOM 0 H THR A 29 11.119 12.595 -6.291 1.00 0.00 H new ATOM 0 HA THR A 29 12.443 15.181 -6.133 1.00 0.00 H new ATOM 0 HB THR A 29 10.642 13.858 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.535 15.407 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.730 13.077 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.246 12.080 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.332 13.331 -3.282 1.00 0.00 H new ATOM 458 N ASP A 30 14.152 12.468 -5.981 1.00 0.00 N ATOM 459 CA ASP A 30 15.504 11.937 -5.924 1.00 0.00 C ATOM 460 C ASP A 30 16.295 12.438 -7.134 1.00 0.00 C ATOM 461 O ASP A 30 17.524 12.480 -7.102 1.00 0.00 O ATOM 462 CB ASP A 30 15.497 10.407 -5.965 1.00 0.00 C ATOM 463 CG ASP A 30 15.146 9.799 -7.324 1.00 0.00 C ATOM 464 OD1 ASP A 30 15.634 10.249 -8.371 1.00 0.00 O ATOM 465 OD2 ASP A 30 14.323 8.805 -7.281 1.00 0.00 O ATOM 0 H ASP A 30 13.440 11.794 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 30 15.959 12.271 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.481 10.046 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.784 10.042 -5.225 1.00 0.00 H new ATOM 471 N SER A 31 15.559 12.806 -8.171 1.00 0.00 N ATOM 472 CA SER A 31 16.176 13.303 -9.389 1.00 0.00 C ATOM 473 C SER A 31 16.941 14.595 -9.098 1.00 0.00 C ATOM 474 O SER A 31 17.731 15.053 -9.923 1.00 0.00 O ATOM 475 CB SER A 31 15.130 13.539 -10.481 1.00 0.00 C ATOM 476 OG SER A 31 15.537 13.002 -11.736 1.00 0.00 O ATOM 0 H SER A 31 14.540 12.770 -8.193 1.00 0.00 H new ATOM 0 HA SER A 31 16.874 12.548 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.185 13.085 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.951 14.609 -10.586 1.00 0.00 H new ATOM 0 HG SER A 31 14.842 13.172 -12.405 1.00 0.00 H new ATOM 482 N PHE A 32 16.681 15.147 -7.923 1.00 0.00 N ATOM 483 CA PHE A 32 17.336 16.377 -7.513 1.00 0.00 C ATOM 484 C PHE A 32 18.857 16.240 -7.584 1.00 0.00 C ATOM 485 O PHE A 32 19.574 17.238 -7.639 1.00 0.00 O ATOM 486 CB PHE A 32 16.927 16.640 -6.061 1.00 0.00 C ATOM 487 CG PHE A 32 17.785 15.904 -5.031 1.00 0.00 C ATOM 488 CD1 PHE A 32 17.628 14.566 -4.845 1.00 0.00 C ATOM 489 CD2 PHE A 32 18.706 16.588 -4.300 1.00 0.00 C ATOM 490 CE1 PHE A 32 18.425 13.884 -3.889 1.00 0.00 C ATOM 491 CE2 PHE A 32 19.503 15.906 -3.343 1.00 0.00 C ATOM 492 CZ PHE A 32 19.345 14.568 -3.158 1.00 0.00 C ATOM 0 H PHE A 32 16.025 14.765 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 32 17.041 17.192 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 32 16.983 17.711 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 32 15.886 16.346 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.897 14.022 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 32 18.831 17.651 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.301 12.821 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 32 20.234 16.449 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 32 19.951 14.049 -2.430 1.00 0.00 H new ATOM 502 N VAL A 33 19.307 14.993 -7.582 1.00 0.00 N ATOM 503 CA VAL A 33 20.731 14.711 -7.645 1.00 0.00 C ATOM 504 C VAL A 33 21.314 15.337 -8.915 1.00 0.00 C ATOM 505 O VAL A 33 22.516 15.588 -8.991 1.00 0.00 O ATOM 506 CB VAL A 33 20.970 13.202 -7.559 1.00 0.00 C ATOM 507 CG1 VAL A 33 20.557 12.507 -8.857 1.00 0.00 C ATOM 508 CG2 VAL A 33 22.430 12.898 -7.214 1.00 0.00 C ATOM 0 H VAL A 33 18.710 14.167 -7.538 1.00 0.00 H new ATOM 0 HA VAL A 33 21.247 15.157 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 33 20.347 12.809 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.737 11.436 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.497 12.683 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.142 12.907 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.574 11.819 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 33 23.080 13.312 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.678 13.347 -6.252 1.00 0.00 H new ATOM 518 N GLY A 34 20.436 15.570 -9.878 1.00 0.00 N ATOM 519 CA GLY A 34 20.848 16.161 -11.140 1.00 0.00 C ATOM 520 C GLY A 34 20.886 17.688 -11.043 1.00 0.00 C ATOM 521 O GLY A 34 21.504 18.351 -11.875 1.00 0.00 O ATOM 0 H GLY A 34 19.440 15.360 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.833 15.786 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.159 15.860 -11.929 1.00 0.00 H new ATOM 525 N LEU A 35 20.216 18.201 -10.022 1.00 0.00 N ATOM 526 CA LEU A 35 20.166 19.637 -9.806 1.00 0.00 C ATOM 527 C LEU A 35 21.511 20.114 -9.254 1.00 0.00 C ATOM 528 O LEU A 35 21.859 21.286 -9.384 1.00 0.00 O ATOM 529 CB LEU A 35 18.974 20.004 -8.920 1.00 0.00 C ATOM 530 CG LEU A 35 17.745 20.558 -9.644 1.00 0.00 C ATOM 531 CD1 LEU A 35 17.089 19.482 -10.512 1.00 0.00 C ATOM 532 CD2 LEU A 35 16.757 21.178 -8.654 1.00 0.00 C ATOM 0 H LEU A 35 19.703 17.648 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 35 20.006 20.158 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.674 19.116 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.304 20.742 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 35 18.073 21.355 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.218 19.902 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.803 19.129 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.778 18.648 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.893 21.564 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.430 20.419 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.243 21.993 -8.118 1.00 0.00 H new ATOM 544 N MET A 36 22.231 19.179 -8.652 1.00 0.00 N ATOM 545 CA MET A 36 23.531 19.489 -8.079 1.00 0.00 C ATOM 546 C MET A 36 24.644 19.299 -9.113 1.00 0.00 C ATOM 547 O MET A 36 25.453 20.198 -9.331 1.00 0.00 O ATOM 548 CB MET A 36 23.789 18.579 -6.876 1.00 0.00 C ATOM 549 CG MET A 36 23.915 17.118 -7.312 1.00 0.00 C ATOM 550 SD MET A 36 25.310 16.357 -6.498 1.00 0.00 S ATOM 551 CE MET A 36 26.646 17.261 -7.263 1.00 0.00 C ATOM 0 H MET A 36 21.940 18.207 -8.548 1.00 0.00 H new ATOM 0 HA MET A 36 23.529 20.532 -7.762 1.00 0.00 H new ATOM 0 HB2 MET A 36 24.702 18.891 -6.368 1.00 0.00 H new ATOM 0 HB3 MET A 36 22.975 18.679 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 36 23.001 16.577 -7.068 1.00 0.00 H new ATOM 0 HG3 MET A 36 24.039 17.062 -8.393 1.00 0.00 H new ATOM 0 HE1 MET A 36 27.592 16.764 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A 36 26.491 17.295 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 36 26.672 18.276 -6.868 1.00 0.00 H new TER 561 MET A 36