USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 655 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 : S 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 1 MET N :NH3+ -123:sc= 0.476 (180deg=-0.104) USER MOD Single : S 3 LYS NZ :NH3+ 155:sc= -1 (180deg=-2.6!) USER MOD Single : S 4 ASN : amide:sc= -0.614 K(o=-0.61,f=-3.1!) USER MOD Single : S 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 11 THR OG1 : rot 180:sc= 0 USER MOD Single : S 13 MET CE :methyl 161:sc= -0.185 (180deg=-1.02) USER MOD Single : S 15 LYS NZ :NH3+ -147:sc= 1.23 (180deg=1.06) USER MOD Single : S 17 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.48) USER MOD Single : S 28 LYS NZ :NH3+ 150:sc= 2.07 (180deg=-0.00964) USER MOD Single : S 31 TYR OH : rot 180:sc= 0 USER MOD Single : S 32 ASN : amide:sc= 0.353 K(o=0.35,f=-2.1!) USER MOD Single : S 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 GLN : amide:sc= -5.82! C(o=-5.8!,f=-7.6!) USER MOD Single : S 47 HIS : no HE2:sc= -0.29 K(o=-0.29,f=-6!) USER MOD Single : S 50 SER OG : rot 180:sc= 0.0916 USER MOD Single : S 59 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-3) USER MOD Single : S 63 SER OG : rot -170:sc= 0.239 USER MOD Single : S 65 ASN : amide:sc= -0.855 K(o=-0.85,f=-5.3!) USER MOD Single : S 67 SER OG : rot 180:sc= -0.176 USER MOD Single : S 71 TYR OH : rot 180:sc= 0 USER MOD Single : S 74 LYS NZ :NH3+ 164:sc=-0.00428 (180deg=-0.088) USER MOD Single : S 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET S 1 -14.918 7.690 -11.954 1.00 0.00 N ATOM 2 CA MET S 1 -15.014 9.053 -11.445 1.00 0.00 C ATOM 3 C MET S 1 -14.601 9.906 -12.637 1.00 0.00 C ATOM 4 O MET S 1 -14.310 9.317 -13.668 1.00 0.00 O ATOM 5 CB MET S 1 -14.141 9.283 -10.198 1.00 0.00 C ATOM 6 CG MET S 1 -14.587 8.409 -9.016 1.00 0.00 C ATOM 7 SD MET S 1 -13.605 8.719 -7.539 1.00 0.00 S ATOM 8 CE MET S 1 -14.391 7.527 -6.435 1.00 0.00 C ATOM 0 H1 MET S 1 -15.836 7.214 -11.846 1.00 0.00 H new ATOM 0 H2 MET S 1 -14.656 7.713 -12.960 1.00 0.00 H new ATOM 0 H3 MET S 1 -14.194 7.170 -11.419 1.00 0.00 H new ATOM 0 HA MET S 1 -16.014 9.302 -11.089 1.00 0.00 H new ATOM 0 HB2 MET S 1 -13.100 9.065 -10.438 1.00 0.00 H new ATOM 0 HB3 MET S 1 -14.188 10.333 -9.911 1.00 0.00 H new ATOM 0 HG2 MET S 1 -15.638 8.601 -8.799 1.00 0.00 H new ATOM 0 HG3 MET S 1 -14.505 7.358 -9.292 1.00 0.00 H new ATOM 0 HE1 MET S 1 -13.914 7.569 -5.456 1.00 0.00 H new ATOM 0 HE2 MET S 1 -15.449 7.767 -6.334 1.00 0.00 H new ATOM 0 HE3 MET S 1 -14.284 6.524 -6.848 1.00 0.00 H new ATOM 20 N LEU S 2 -14.614 11.243 -12.473 1.00 0.00 N ATOM 21 CA LEU S 2 -14.275 12.134 -13.585 1.00 0.00 C ATOM 22 C LEU S 2 -12.780 11.989 -13.926 1.00 0.00 C ATOM 23 O LEU S 2 -12.379 11.418 -14.929 1.00 0.00 O ATOM 24 CB LEU S 2 -14.605 13.592 -13.192 1.00 0.00 C ATOM 25 CG LEU S 2 -16.068 14.011 -13.415 1.00 0.00 C ATOM 26 CD1 LEU S 2 -17.079 13.074 -12.742 1.00 0.00 C ATOM 27 CD2 LEU S 2 -16.278 15.455 -12.940 1.00 0.00 C ATOM 0 H LEU S 2 -14.850 11.716 -11.601 1.00 0.00 H new ATOM 0 HA LEU S 2 -14.859 11.866 -14.465 1.00 0.00 H new ATOM 0 HB2 LEU S 2 -14.359 13.733 -12.140 1.00 0.00 H new ATOM 0 HB3 LEU S 2 -13.960 14.261 -13.762 1.00 0.00 H new ATOM 0 HG LEU S 2 -16.254 13.942 -14.487 1.00 0.00 H new ATOM 0 HD11 LEU S 2 -18.091 13.428 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU S 2 -16.963 12.066 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU S 2 -16.903 13.061 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU S 2 -17.317 15.744 -13.102 1.00 0.00 H new ATOM 0 HD22 LEU S 2 -16.042 15.527 -11.878 1.00 0.00 H new ATOM 0 HD23 LEU S 2 -15.624 16.122 -13.502 1.00 0.00 H new ATOM 39 N LYS S 3 -11.993 12.564 -13.002 1.00 0.00 N ATOM 40 CA LYS S 3 -10.549 12.426 -13.056 1.00 0.00 C ATOM 41 C LYS S 3 -10.178 11.086 -12.404 1.00 0.00 C ATOM 42 O LYS S 3 -11.036 10.342 -11.942 1.00 0.00 O ATOM 43 CB LYS S 3 -9.933 13.624 -12.315 1.00 0.00 C ATOM 44 CG LYS S 3 -10.167 13.571 -10.790 1.00 0.00 C ATOM 45 CD LYS S 3 -10.369 14.933 -10.115 1.00 0.00 C ATOM 46 CE LYS S 3 -9.132 15.828 -10.130 1.00 0.00 C ATOM 47 NZ LYS S 3 -8.841 16.302 -11.475 1.00 0.00 N ATOM 0 H LYS S 3 -12.338 13.121 -12.221 1.00 0.00 H new ATOM 0 HA LYS S 3 -10.168 12.424 -14.077 1.00 0.00 H new ATOM 0 HB2 LYS S 3 -8.861 13.655 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS S 3 -10.357 14.547 -12.711 1.00 0.00 H new ATOM 0 HG2 LYS S 3 -11.043 12.952 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS S 3 -9.315 13.075 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS S 3 -11.187 15.454 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS S 3 -10.675 14.772 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS S 3 -9.288 16.679 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS S 3 -8.276 15.276 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS S 3 -8.308 17.193 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS S 3 -8.275 15.590 -11.979 1.00 0.00 H new ATOM 0 HZ3 LYS S 3 -9.732 16.462 -11.987 1.00 0.00 H new ATOM 61 N ASN S 4 -8.857 10.851 -12.382 1.00 0.00 N ATOM 62 CA ASN S 4 -8.314 9.600 -11.880 1.00 0.00 C ATOM 63 C ASN S 4 -6.794 9.830 -11.751 1.00 0.00 C ATOM 64 O ASN S 4 -6.298 10.915 -12.045 1.00 0.00 O ATOM 65 CB ASN S 4 -8.738 8.480 -12.865 1.00 0.00 C ATOM 66 CG ASN S 4 -8.012 7.146 -12.667 1.00 0.00 C ATOM 67 OD1 ASN S 4 -7.863 6.663 -11.555 1.00 0.00 O ATOM 68 ND2 ASN S 4 -7.508 6.625 -13.791 1.00 0.00 N ATOM 0 H ASN S 4 -8.155 11.515 -12.707 1.00 0.00 H new ATOM 0 HA ASN S 4 -8.682 9.287 -10.903 1.00 0.00 H new ATOM 0 HB2 ASN S 4 -9.810 8.313 -12.764 1.00 0.00 H new ATOM 0 HB3 ASN S 4 -8.563 8.826 -13.884 1.00 0.00 H new ATOM 0 HD21 ASN S 4 -6.957 5.767 -13.753 1.00 0.00 H new ATOM 0 HD22 ASN S 4 -7.674 7.085 -14.686 1.00 0.00 H new ATOM 75 N LEU S 5 -6.097 8.771 -11.297 1.00 0.00 N ATOM 76 CA LEU S 5 -4.650 8.646 -11.446 1.00 0.00 C ATOM 77 C LEU S 5 -3.895 9.656 -10.572 1.00 0.00 C ATOM 78 O LEU S 5 -2.785 10.072 -10.875 1.00 0.00 O ATOM 79 CB LEU S 5 -4.255 8.767 -12.934 1.00 0.00 C ATOM 80 CG LEU S 5 -2.996 7.972 -13.317 1.00 0.00 C ATOM 81 CD1 LEU S 5 -3.230 6.459 -13.178 1.00 0.00 C ATOM 82 CD2 LEU S 5 -2.563 8.319 -14.747 1.00 0.00 C ATOM 0 H LEU S 5 -6.530 7.982 -10.817 1.00 0.00 H new ATOM 0 HA LEU S 5 -4.357 7.657 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU S 5 -5.088 8.426 -13.549 1.00 0.00 H new ATOM 0 HB3 LEU S 5 -4.094 9.819 -13.171 1.00 0.00 H new ATOM 0 HG LEU S 5 -2.197 8.251 -12.630 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -2.322 5.923 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU S 5 -3.488 6.224 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -4.046 6.155 -13.834 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.670 7.749 -15.005 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -3.366 8.070 -15.441 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -2.344 9.385 -14.812 1.00 0.00 H new ATOM 94 N ALA S 6 -4.589 10.056 -9.487 1.00 0.00 N ATOM 95 CA ALA S 6 -4.057 11.050 -8.562 1.00 0.00 C ATOM 96 C ALA S 6 -3.621 12.343 -9.282 1.00 0.00 C ATOM 97 O ALA S 6 -2.662 12.982 -8.882 1.00 0.00 O ATOM 98 CB ALA S 6 -2.887 10.459 -7.758 1.00 0.00 C ATOM 0 H ALA S 6 -5.513 9.702 -9.240 1.00 0.00 H new ATOM 0 HA ALA S 6 -4.861 11.320 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA S 6 -2.500 11.212 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA S 6 -3.235 9.596 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA S 6 -2.096 10.150 -8.441 1.00 0.00 H new ATOM 104 N LYS S 7 -4.341 12.680 -10.377 1.00 0.00 N ATOM 105 CA LYS S 7 -4.006 13.878 -11.158 1.00 0.00 C ATOM 106 C LYS S 7 -2.559 13.824 -11.707 1.00 0.00 C ATOM 107 O LYS S 7 -1.910 14.839 -11.919 1.00 0.00 O ATOM 108 CB LYS S 7 -4.260 15.153 -10.321 1.00 0.00 C ATOM 109 CG LYS S 7 -4.307 16.477 -11.109 1.00 0.00 C ATOM 110 CD LYS S 7 -5.380 16.531 -12.208 1.00 0.00 C ATOM 111 CE LYS S 7 -5.679 17.979 -12.643 1.00 0.00 C ATOM 112 NZ LYS S 7 -6.247 18.117 -13.990 1.00 0.00 N ATOM 0 H LYS S 7 -5.138 12.149 -10.728 1.00 0.00 H new ATOM 0 HA LYS S 7 -4.662 13.909 -12.028 1.00 0.00 H new ATOM 0 HB2 LYS S 7 -5.205 15.034 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS S 7 -3.478 15.230 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS S 7 -4.481 17.295 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS S 7 -3.331 16.649 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS S 7 -5.047 15.954 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS S 7 -6.296 16.064 -11.846 1.00 0.00 H new ATOM 0 HE2 LYS S 7 -6.370 18.422 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS S 7 -4.755 18.555 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS S 7 -6.414 19.123 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS S 7 -5.582 17.727 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS S 7 -7.147 17.599 -14.042 1.00 0.00 H new ATOM 126 N LEU S 8 -2.101 12.575 -11.916 1.00 0.00 N ATOM 127 CA LEU S 8 -0.759 12.301 -12.418 1.00 0.00 C ATOM 128 C LEU S 8 0.325 12.717 -11.397 1.00 0.00 C ATOM 129 O LEU S 8 1.486 12.902 -11.743 1.00 0.00 O ATOM 130 CB LEU S 8 -0.496 12.949 -13.795 1.00 0.00 C ATOM 131 CG LEU S 8 -1.649 12.810 -14.820 1.00 0.00 C ATOM 132 CD1 LEU S 8 -2.201 14.189 -15.214 1.00 0.00 C ATOM 133 CD2 LEU S 8 -1.205 12.042 -16.071 1.00 0.00 C ATOM 0 H LEU S 8 -2.655 11.737 -11.740 1.00 0.00 H new ATOM 0 HA LEU S 8 -0.699 11.222 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU S 8 -0.289 14.009 -13.646 1.00 0.00 H new ATOM 0 HB3 LEU S 8 0.404 12.505 -14.222 1.00 0.00 H new ATOM 0 HG LEU S 8 -2.442 12.238 -14.338 1.00 0.00 H new ATOM 0 HD11 LEU S 8 -3.009 14.065 -15.935 1.00 0.00 H new ATOM 0 HD12 LEU S 8 -2.580 14.696 -14.327 1.00 0.00 H new ATOM 0 HD13 LEU S 8 -1.405 14.785 -15.661 1.00 0.00 H new ATOM 0 HD21 LEU S 8 -2.041 11.965 -16.766 1.00 0.00 H new ATOM 0 HD22 LEU S 8 -0.382 12.572 -16.550 1.00 0.00 H new ATOM 0 HD23 LEU S 8 -0.876 11.042 -15.787 1.00 0.00 H new ATOM 145 N ASP S 9 -0.096 12.848 -10.119 1.00 0.00 N ATOM 146 CA ASP S 9 0.866 13.164 -9.066 1.00 0.00 C ATOM 147 C ASP S 9 1.861 12.004 -8.937 1.00 0.00 C ATOM 148 O ASP S 9 1.591 10.998 -8.297 1.00 0.00 O ATOM 149 CB ASP S 9 0.163 13.372 -7.707 1.00 0.00 C ATOM 150 CG ASP S 9 -0.263 14.826 -7.485 1.00 0.00 C ATOM 151 OD1 ASP S 9 -1.359 15.264 -7.636 1.00 0.00 O ATOM 152 OD2 ASP S 9 0.771 15.562 -7.034 1.00 0.00 O ATOM 0 H ASP S 9 -1.062 12.742 -9.809 1.00 0.00 H new ATOM 0 HA ASP S 9 1.379 14.088 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP S 9 -0.714 12.727 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP S 9 0.834 13.066 -6.904 1.00 0.00 H new ATOM 158 N GLN S 10 3.035 12.234 -9.546 1.00 0.00 N ATOM 159 CA GLN S 10 4.142 11.277 -9.555 1.00 0.00 C ATOM 160 C GLN S 10 4.406 10.697 -8.139 1.00 0.00 C ATOM 161 O GLN S 10 4.512 9.497 -7.921 1.00 0.00 O ATOM 162 CB GLN S 10 5.390 11.957 -10.168 1.00 0.00 C ATOM 163 CG GLN S 10 5.049 13.016 -11.241 1.00 0.00 C ATOM 164 CD GLN S 10 6.287 13.497 -12.006 1.00 0.00 C ATOM 165 OE1 GLN S 10 6.462 13.224 -13.183 1.00 0.00 O ATOM 166 NE2 GLN S 10 7.121 14.252 -11.283 1.00 0.00 N ATOM 0 H GLN S 10 3.240 13.098 -10.049 1.00 0.00 H new ATOM 0 HA GLN S 10 3.880 10.420 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN S 10 5.965 12.430 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN S 10 6.029 11.194 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN S 10 4.331 12.596 -11.946 1.00 0.00 H new ATOM 0 HG3 GLN S 10 4.566 13.869 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN S 10 6.916 14.443 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN S 10 7.962 14.637 -11.712 1.00 0.00 H new ATOM 175 N THR S 11 4.431 11.647 -7.186 1.00 0.00 N ATOM 176 CA THR S 11 4.529 11.326 -5.761 1.00 0.00 C ATOM 177 C THR S 11 3.457 10.303 -5.308 1.00 0.00 C ATOM 178 O THR S 11 3.737 9.339 -4.607 1.00 0.00 O ATOM 179 CB THR S 11 4.495 12.665 -4.980 1.00 0.00 C ATOM 180 OG1 THR S 11 5.843 13.097 -4.922 1.00 0.00 O ATOM 181 CG2 THR S 11 3.839 12.599 -3.586 1.00 0.00 C ATOM 0 H THR S 11 4.384 12.646 -7.385 1.00 0.00 H new ATOM 0 HA THR S 11 5.469 10.817 -5.548 1.00 0.00 H new ATOM 0 HB THR S 11 3.850 13.373 -5.500 1.00 0.00 H new ATOM 0 HG1 THR S 11 5.893 13.948 -4.438 1.00 0.00 H new ATOM 0 HG21 THR S 11 3.866 13.586 -3.124 1.00 0.00 H new ATOM 0 HG22 THR S 11 2.804 12.274 -3.686 1.00 0.00 H new ATOM 0 HG23 THR S 11 4.383 11.891 -2.961 1.00 0.00 H new ATOM 189 N GLU S 12 2.212 10.570 -5.731 1.00 0.00 N ATOM 190 CA GLU S 12 1.110 9.702 -5.335 1.00 0.00 C ATOM 191 C GLU S 12 1.195 8.339 -6.041 1.00 0.00 C ATOM 192 O GLU S 12 0.776 7.327 -5.496 1.00 0.00 O ATOM 193 CB GLU S 12 -0.225 10.396 -5.627 1.00 0.00 C ATOM 194 CG GLU S 12 -0.505 11.552 -4.652 1.00 0.00 C ATOM 195 CD GLU S 12 -1.064 11.019 -3.316 1.00 0.00 C ATOM 196 OE1 GLU S 12 -0.422 10.613 -2.383 1.00 0.00 O ATOM 197 OE2 GLU S 12 -2.411 11.055 -3.338 1.00 0.00 O ATOM 0 H GLU S 12 1.955 11.356 -6.328 1.00 0.00 H new ATOM 0 HA GLU S 12 1.179 9.514 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU S 12 -0.218 10.778 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU S 12 -1.033 9.667 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU S 12 0.413 12.111 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU S 12 -1.217 12.246 -5.098 1.00 0.00 H new ATOM 205 N MET S 13 1.785 8.337 -7.250 1.00 0.00 N ATOM 206 CA MET S 13 1.958 7.062 -7.948 1.00 0.00 C ATOM 207 C MET S 13 2.784 6.071 -7.100 1.00 0.00 C ATOM 208 O MET S 13 2.487 4.884 -7.030 1.00 0.00 O ATOM 209 CB MET S 13 2.600 7.273 -9.325 1.00 0.00 C ATOM 210 CG MET S 13 1.734 8.124 -10.266 1.00 0.00 C ATOM 211 SD MET S 13 2.572 8.462 -11.827 1.00 0.00 S ATOM 212 CE MET S 13 2.884 6.773 -12.370 1.00 0.00 C ATOM 0 H MET S 13 2.133 9.161 -7.740 1.00 0.00 H new ATOM 0 HA MET S 13 0.970 6.628 -8.100 1.00 0.00 H new ATOM 0 HB2 MET S 13 3.570 7.754 -9.198 1.00 0.00 H new ATOM 0 HB3 MET S 13 2.784 6.303 -9.787 1.00 0.00 H new ATOM 0 HG2 MET S 13 0.795 7.607 -10.462 1.00 0.00 H new ATOM 0 HG3 MET S 13 1.483 9.065 -9.777 1.00 0.00 H new ATOM 0 HE1 MET S 13 3.082 6.766 -13.442 1.00 0.00 H new ATOM 0 HE2 MET S 13 3.748 6.374 -11.839 1.00 0.00 H new ATOM 0 HE3 MET S 13 2.011 6.156 -12.158 1.00 0.00 H new ATOM 222 N ASP S 14 3.789 6.633 -6.394 1.00 0.00 N ATOM 223 CA ASP S 14 4.578 5.810 -5.468 1.00 0.00 C ATOM 224 C ASP S 14 3.673 4.974 -4.532 1.00 0.00 C ATOM 225 O ASP S 14 3.910 3.804 -4.262 1.00 0.00 O ATOM 226 CB ASP S 14 5.503 6.708 -4.632 1.00 0.00 C ATOM 227 CG ASP S 14 6.429 5.877 -3.734 1.00 0.00 C ATOM 228 OD1 ASP S 14 6.267 5.700 -2.565 1.00 0.00 O ATOM 229 OD2 ASP S 14 7.482 5.397 -4.420 1.00 0.00 O ATOM 0 H ASP S 14 4.062 7.614 -6.446 1.00 0.00 H new ATOM 0 HA ASP S 14 5.174 5.117 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP S 14 6.101 7.333 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP S 14 4.903 7.378 -4.017 1.00 0.00 H new ATOM 235 N LYS S 15 2.607 5.655 -4.075 1.00 0.00 N ATOM 236 CA LYS S 15 1.661 5.055 -3.146 1.00 0.00 C ATOM 237 C LYS S 15 1.019 3.794 -3.760 1.00 0.00 C ATOM 238 O LYS S 15 0.904 2.757 -3.114 1.00 0.00 O ATOM 239 CB LYS S 15 0.592 6.096 -2.765 1.00 0.00 C ATOM 240 CG LYS S 15 1.174 7.415 -2.222 1.00 0.00 C ATOM 241 CD LYS S 15 1.402 7.384 -0.704 1.00 0.00 C ATOM 242 CE LYS S 15 0.230 8.020 0.053 1.00 0.00 C ATOM 243 NZ LYS S 15 0.195 9.482 -0.083 1.00 0.00 N ATOM 0 H LYS S 15 2.388 6.616 -4.338 1.00 0.00 H new ATOM 0 HA LYS S 15 2.188 4.745 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS S 15 -0.019 6.313 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS S 15 -0.070 5.665 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS S 15 2.120 7.623 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS S 15 0.497 8.234 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS S 15 1.532 6.353 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS S 15 2.323 7.914 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS S 15 -0.706 7.602 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS S 15 0.300 7.759 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS S 15 -0.179 9.903 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS S 15 1.157 9.838 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS S 15 -0.417 9.742 -0.882 1.00 0.00 H new ATOM 257 N VAL S 16 0.619 3.926 -5.046 1.00 0.00 N ATOM 258 CA VAL S 16 -0.044 2.789 -5.689 1.00 0.00 C ATOM 259 C VAL S 16 0.931 1.601 -5.816 1.00 0.00 C ATOM 260 O VAL S 16 0.579 0.444 -5.617 1.00 0.00 O ATOM 261 CB VAL S 16 -0.731 3.185 -7.022 1.00 0.00 C ATOM 262 CG1 VAL S 16 0.141 3.039 -8.282 1.00 0.00 C ATOM 263 CG2 VAL S 16 -2.028 2.387 -7.219 1.00 0.00 C ATOM 0 H VAL S 16 0.737 4.759 -5.623 1.00 0.00 H new ATOM 0 HA VAL S 16 -0.861 2.457 -5.049 1.00 0.00 H new ATOM 0 HB VAL S 16 -0.933 4.251 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL S 16 -0.432 3.341 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL S 16 1.023 3.673 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL S 16 0.451 2.000 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL S 16 -2.495 2.679 -8.159 1.00 0.00 H new ATOM 0 HG22 VAL S 16 -1.800 1.321 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL S 16 -2.711 2.594 -6.395 1.00 0.00 H new ATOM 273 N ASN S 17 2.192 1.972 -6.110 1.00 0.00 N ATOM 274 CA ASN S 17 3.243 0.963 -6.256 1.00 0.00 C ATOM 275 C ASN S 17 3.390 0.142 -4.959 1.00 0.00 C ATOM 276 O ASN S 17 3.505 -1.079 -4.962 1.00 0.00 O ATOM 277 CB ASN S 17 4.585 1.627 -6.630 1.00 0.00 C ATOM 278 CG ASN S 17 4.526 2.538 -7.870 1.00 0.00 C ATOM 279 OD1 ASN S 17 5.277 3.494 -7.986 1.00 0.00 O ATOM 280 ND2 ASN S 17 3.606 2.210 -8.788 1.00 0.00 N ATOM 0 H ASN S 17 2.496 2.936 -6.247 1.00 0.00 H new ATOM 0 HA ASN S 17 2.958 0.286 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN S 17 4.934 2.214 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN S 17 5.326 0.846 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN S 17 3.508 2.770 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN S 17 3.004 1.400 -8.640 1.00 0.00 H new ATOM 287 N VAL S 18 3.318 0.890 -3.843 1.00 0.00 N ATOM 288 CA VAL S 18 3.405 0.250 -2.532 1.00 0.00 C ATOM 289 C VAL S 18 2.240 -0.730 -2.315 1.00 0.00 C ATOM 290 O VAL S 18 2.373 -1.740 -1.638 1.00 0.00 O ATOM 291 CB VAL S 18 3.407 1.316 -1.423 1.00 0.00 C ATOM 292 CG1 VAL S 18 3.622 0.703 -0.025 1.00 0.00 C ATOM 293 CG2 VAL S 18 4.454 2.404 -1.689 1.00 0.00 C ATOM 0 H VAL S 18 3.204 1.903 -3.826 1.00 0.00 H new ATOM 0 HA VAL S 18 4.337 -0.314 -2.492 1.00 0.00 H new ATOM 0 HB VAL S 18 2.418 1.775 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL S 18 3.616 1.495 0.724 1.00 0.00 H new ATOM 0 HG12 VAL S 18 2.822 -0.005 0.189 1.00 0.00 H new ATOM 0 HG13 VAL S 18 4.581 0.186 0.002 1.00 0.00 H new ATOM 0 HG21 VAL S 18 4.427 3.140 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL S 18 5.445 1.952 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL S 18 4.236 2.895 -2.638 1.00 0.00 H new ATOM 303 N ASP S 19 1.087 -0.382 -2.920 1.00 0.00 N ATOM 304 CA ASP S 19 -0.079 -1.254 -2.785 1.00 0.00 C ATOM 305 C ASP S 19 0.222 -2.635 -3.386 1.00 0.00 C ATOM 306 O ASP S 19 -0.054 -3.666 -2.783 1.00 0.00 O ATOM 307 CB ASP S 19 -1.338 -0.671 -3.450 1.00 0.00 C ATOM 308 CG ASP S 19 -1.674 0.724 -2.924 1.00 0.00 C ATOM 309 OD1 ASP S 19 -1.188 1.221 -1.957 1.00 0.00 O ATOM 310 OD2 ASP S 19 -2.609 1.325 -3.683 1.00 0.00 O ATOM 0 H ASP S 19 0.947 0.458 -3.481 1.00 0.00 H new ATOM 0 HA ASP S 19 -0.283 -1.343 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP S 19 -1.189 -0.625 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP S 19 -2.182 -1.337 -3.273 1.00 0.00 H new ATOM 316 N LEU S 20 0.831 -2.572 -4.586 1.00 0.00 N ATOM 317 CA LEU S 20 1.285 -3.788 -5.258 1.00 0.00 C ATOM 318 C LEU S 20 2.239 -4.577 -4.344 1.00 0.00 C ATOM 319 O LEU S 20 2.038 -5.755 -4.075 1.00 0.00 O ATOM 320 CB LEU S 20 1.877 -3.390 -6.628 1.00 0.00 C ATOM 321 CG LEU S 20 2.871 -4.352 -7.316 1.00 0.00 C ATOM 322 CD1 LEU S 20 4.319 -4.177 -6.825 1.00 0.00 C ATOM 323 CD2 LEU S 20 2.431 -5.824 -7.296 1.00 0.00 C ATOM 0 H LEU S 20 1.014 -1.707 -5.095 1.00 0.00 H new ATOM 0 HA LEU S 20 0.461 -4.474 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU S 20 1.045 -3.230 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU S 20 2.378 -2.430 -6.505 1.00 0.00 H new ATOM 0 HG LEU S 20 2.856 -4.053 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU S 20 4.968 -4.881 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU S 20 4.651 -3.159 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU S 20 4.365 -4.367 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU S 20 3.181 -6.435 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU S 20 2.323 -6.157 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU S 20 1.476 -5.925 -7.812 1.00 0.00 H new ATOM 335 N ALA S 21 3.263 -3.856 -3.854 1.00 0.00 N ATOM 336 CA ALA S 21 4.305 -4.526 -3.078 1.00 0.00 C ATOM 337 C ALA S 21 3.728 -5.227 -1.834 1.00 0.00 C ATOM 338 O ALA S 21 3.908 -6.416 -1.603 1.00 0.00 O ATOM 339 CB ALA S 21 5.371 -3.497 -2.699 1.00 0.00 C ATOM 0 H ALA S 21 3.385 -2.851 -3.977 1.00 0.00 H new ATOM 0 HA ALA S 21 4.757 -5.309 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA S 21 6.156 -3.983 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA S 21 5.801 -3.068 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA S 21 4.917 -2.705 -2.103 1.00 0.00 H new ATOM 345 N ALA S 22 3.001 -4.405 -1.061 1.00 0.00 N ATOM 346 CA ALA S 22 2.387 -4.856 0.177 1.00 0.00 C ATOM 347 C ALA S 22 1.427 -6.033 -0.069 1.00 0.00 C ATOM 348 O ALA S 22 1.339 -6.956 0.726 1.00 0.00 O ATOM 349 CB ALA S 22 1.702 -3.669 0.870 1.00 0.00 C ATOM 0 H ALA S 22 2.829 -3.424 -1.281 1.00 0.00 H new ATOM 0 HA ALA S 22 3.160 -5.236 0.846 1.00 0.00 H new ATOM 0 HB1 ALA S 22 1.241 -4.006 1.798 1.00 0.00 H new ATOM 0 HB2 ALA S 22 2.442 -2.900 1.091 1.00 0.00 H new ATOM 0 HB3 ALA S 22 0.936 -3.257 0.213 1.00 0.00 H new ATOM 355 N ALA S 23 0.670 -5.948 -1.179 1.00 0.00 N ATOM 356 CA ALA S 23 -0.246 -7.046 -1.494 1.00 0.00 C ATOM 357 C ALA S 23 0.533 -8.330 -1.844 1.00 0.00 C ATOM 358 O ALA S 23 0.154 -9.437 -1.481 1.00 0.00 O ATOM 359 CB ALA S 23 -1.186 -6.636 -2.630 1.00 0.00 C ATOM 0 H ALA S 23 0.674 -5.171 -1.839 1.00 0.00 H new ATOM 0 HA ALA S 23 -0.850 -7.262 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA S 23 -1.863 -7.459 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA S 23 -1.764 -5.763 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA S 23 -0.601 -6.393 -3.517 1.00 0.00 H new ATOM 365 N GLY S 24 1.683 -8.107 -2.502 1.00 0.00 N ATOM 366 CA GLY S 24 2.613 -9.197 -2.773 1.00 0.00 C ATOM 367 C GLY S 24 3.054 -9.933 -1.495 1.00 0.00 C ATOM 368 O GLY S 24 3.336 -11.119 -1.510 1.00 0.00 O ATOM 0 H GLY S 24 1.981 -7.195 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY S 24 2.145 -9.908 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY S 24 3.492 -8.801 -3.281 1.00 0.00 H new ATOM 372 N VAL S 25 3.061 -9.195 -0.371 1.00 0.00 N ATOM 373 CA VAL S 25 3.421 -9.830 0.899 1.00 0.00 C ATOM 374 C VAL S 25 2.350 -10.849 1.319 1.00 0.00 C ATOM 375 O VAL S 25 2.642 -11.870 1.924 1.00 0.00 O ATOM 376 CB VAL S 25 3.579 -8.787 2.018 1.00 0.00 C ATOM 377 CG1 VAL S 25 4.266 -9.366 3.269 1.00 0.00 C ATOM 378 CG2 VAL S 25 4.351 -7.566 1.536 1.00 0.00 C ATOM 0 H VAL S 25 2.832 -8.203 -0.318 1.00 0.00 H new ATOM 0 HA VAL S 25 4.373 -10.339 0.747 1.00 0.00 H new ATOM 0 HB VAL S 25 2.568 -8.487 2.294 1.00 0.00 H new ATOM 0 HG11 VAL S 25 4.353 -8.589 4.029 1.00 0.00 H new ATOM 0 HG12 VAL S 25 3.672 -10.192 3.661 1.00 0.00 H new ATOM 0 HG13 VAL S 25 5.260 -9.727 3.004 1.00 0.00 H new ATOM 0 HG21 VAL S 25 4.444 -6.849 2.352 1.00 0.00 H new ATOM 0 HG22 VAL S 25 5.344 -7.871 1.205 1.00 0.00 H new ATOM 0 HG23 VAL S 25 3.818 -7.103 0.705 1.00 0.00 H new ATOM 388 N ALA S 26 1.094 -10.519 0.961 1.00 0.00 N ATOM 389 CA ALA S 26 -0.024 -11.399 1.288 1.00 0.00 C ATOM 390 C ALA S 26 0.082 -12.744 0.532 1.00 0.00 C ATOM 391 O ALA S 26 -0.426 -13.778 0.953 1.00 0.00 O ATOM 392 CB ALA S 26 -1.332 -10.676 0.965 1.00 0.00 C ATOM 0 H ALA S 26 0.840 -9.669 0.458 1.00 0.00 H new ATOM 0 HA ALA S 26 0.000 -11.636 2.352 1.00 0.00 H new ATOM 0 HB1 ALA S 26 -2.175 -11.324 1.205 1.00 0.00 H new ATOM 0 HB2 ALA S 26 -1.398 -9.762 1.555 1.00 0.00 H new ATOM 0 HB3 ALA S 26 -1.357 -10.426 -0.096 1.00 0.00 H new ATOM 398 N PHE S 27 0.847 -12.673 -0.578 1.00 0.00 N ATOM 399 CA PHE S 27 1.215 -13.864 -1.339 1.00 0.00 C ATOM 400 C PHE S 27 2.059 -14.852 -0.493 1.00 0.00 C ATOM 401 O PHE S 27 2.305 -15.973 -0.909 1.00 0.00 O ATOM 402 CB PHE S 27 1.963 -13.423 -2.610 1.00 0.00 C ATOM 403 CG PHE S 27 1.970 -14.433 -3.724 1.00 0.00 C ATOM 404 CD1 PHE S 27 2.951 -15.419 -3.782 1.00 0.00 C ATOM 405 CD2 PHE S 27 1.011 -14.377 -4.729 1.00 0.00 C ATOM 406 CE1 PHE S 27 2.983 -16.328 -4.830 1.00 0.00 C ATOM 407 CE2 PHE S 27 1.044 -15.280 -5.783 1.00 0.00 C ATOM 408 CZ PHE S 27 2.030 -16.257 -5.835 1.00 0.00 C ATOM 0 H PHE S 27 1.216 -11.801 -0.958 1.00 0.00 H new ATOM 0 HA PHE S 27 0.311 -14.404 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE S 27 1.512 -12.501 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE S 27 2.994 -13.190 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE S 27 3.696 -15.477 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE S 27 0.236 -13.626 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE S 27 3.748 -17.089 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE S 27 0.301 -15.223 -6.565 1.00 0.00 H new ATOM 0 HZ PHE S 27 2.054 -16.959 -6.655 1.00 0.00 H new ATOM 418 N LYS S 28 2.446 -14.424 0.732 1.00 0.00 N ATOM 419 CA LYS S 28 3.072 -15.322 1.703 1.00 0.00 C ATOM 420 C LYS S 28 2.290 -16.631 1.914 1.00 0.00 C ATOM 421 O LYS S 28 2.870 -17.638 2.289 1.00 0.00 O ATOM 422 CB LYS S 28 3.301 -14.614 3.058 1.00 0.00 C ATOM 423 CG LYS S 28 4.682 -13.947 3.133 1.00 0.00 C ATOM 424 CD LYS S 28 5.802 -14.990 3.314 1.00 0.00 C ATOM 425 CE LYS S 28 7.162 -14.510 2.798 1.00 0.00 C ATOM 426 NZ LYS S 28 8.092 -15.603 2.520 1.00 0.00 N ATOM 0 H LYS S 28 2.332 -13.465 1.060 1.00 0.00 H new ATOM 0 HA LYS S 28 4.037 -15.593 1.274 1.00 0.00 H new ATOM 0 HB2 LYS S 28 2.527 -13.862 3.209 1.00 0.00 H new ATOM 0 HB3 LYS S 28 3.204 -15.339 3.866 1.00 0.00 H new ATOM 0 HG2 LYS S 28 4.860 -13.374 2.223 1.00 0.00 H new ATOM 0 HG3 LYS S 28 4.702 -13.242 3.964 1.00 0.00 H new ATOM 0 HD2 LYS S 28 5.889 -15.240 4.371 1.00 0.00 H new ATOM 0 HD3 LYS S 28 5.525 -15.906 2.792 1.00 0.00 H new ATOM 0 HE2 LYS S 28 7.013 -13.928 1.888 1.00 0.00 H new ATOM 0 HE3 LYS S 28 7.607 -13.841 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 8.735 -15.325 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 8.645 -15.814 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 7.558 -16.449 2.235 1.00 0.00 H new ATOM 440 N GLU S 29 0.972 -16.598 1.645 1.00 0.00 N ATOM 441 CA GLU S 29 0.234 -17.855 1.753 1.00 0.00 C ATOM 442 C GLU S 29 0.590 -18.795 0.583 1.00 0.00 C ATOM 443 O GLU S 29 0.715 -19.998 0.751 1.00 0.00 O ATOM 444 CB GLU S 29 -1.274 -17.589 1.840 1.00 0.00 C ATOM 445 CG GLU S 29 -1.731 -17.146 3.243 1.00 0.00 C ATOM 446 CD GLU S 29 -1.275 -15.733 3.637 1.00 0.00 C ATOM 447 OE1 GLU S 29 -1.978 -14.777 3.633 1.00 0.00 O ATOM 448 OE2 GLU S 29 0.006 -15.687 4.047 1.00 0.00 O ATOM 0 H GLU S 29 0.433 -15.776 1.371 1.00 0.00 H new ATOM 0 HA GLU S 29 0.528 -18.358 2.674 1.00 0.00 H new ATOM 0 HB2 GLU S 29 -1.543 -16.819 1.117 1.00 0.00 H new ATOM 0 HB3 GLU S 29 -1.813 -18.493 1.558 1.00 0.00 H new ATOM 0 HG2 GLU S 29 -2.819 -17.191 3.289 1.00 0.00 H new ATOM 0 HG3 GLU S 29 -1.351 -17.856 3.978 1.00 0.00 H new ATOM 456 N ARG S 30 0.789 -18.173 -0.593 1.00 0.00 N ATOM 457 CA ARG S 30 1.271 -18.896 -1.768 1.00 0.00 C ATOM 458 C ARG S 30 2.824 -18.935 -1.802 1.00 0.00 C ATOM 459 O ARG S 30 3.430 -19.081 -2.859 1.00 0.00 O ATOM 460 CB ARG S 30 0.726 -18.238 -3.049 1.00 0.00 C ATOM 461 CG ARG S 30 -0.803 -18.257 -3.210 1.00 0.00 C ATOM 462 CD ARG S 30 -1.200 -18.093 -4.690 1.00 0.00 C ATOM 463 NE ARG S 30 -2.540 -17.539 -4.861 1.00 0.00 N ATOM 464 CZ ARG S 30 -3.669 -18.278 -4.795 1.00 0.00 C ATOM 465 NH1 ARG S 30 -3.601 -19.570 -4.489 1.00 0.00 N ATOM 466 NH2 ARG S 30 -4.843 -17.701 -5.044 1.00 0.00 N ATOM 0 H ARG S 30 0.623 -17.179 -0.748 1.00 0.00 H new ATOM 0 HA ARG S 30 0.910 -19.923 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG S 30 1.063 -17.202 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG S 30 1.170 -18.739 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG S 30 -1.202 -19.195 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG S 30 -1.245 -17.455 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG S 30 -0.478 -17.443 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG S 30 -1.148 -19.063 -5.185 1.00 0.00 H new ATOM 0 HE ARG S 30 -2.629 -16.539 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG S 30 -2.696 -20.003 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG S 30 -4.453 -20.128 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG S 30 -4.884 -16.710 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG S 30 -5.701 -18.250 -4.997 1.00 0.00 H new ATOM 480 N TYR S 31 3.440 -18.848 -0.599 1.00 0.00 N ATOM 481 CA TYR S 31 4.898 -18.932 -0.452 1.00 0.00 C ATOM 482 C TYR S 31 5.472 -20.308 -0.862 1.00 0.00 C ATOM 483 O TYR S 31 6.676 -20.522 -0.891 1.00 0.00 O ATOM 484 CB TYR S 31 5.279 -18.552 0.995 1.00 0.00 C ATOM 485 CG TYR S 31 6.677 -18.949 1.390 1.00 0.00 C ATOM 486 CD1 TYR S 31 7.783 -18.200 1.002 1.00 0.00 C ATOM 487 CD2 TYR S 31 6.874 -20.116 2.122 1.00 0.00 C ATOM 488 CE1 TYR S 31 9.064 -18.617 1.336 1.00 0.00 C ATOM 489 CE2 TYR S 31 8.152 -20.543 2.447 1.00 0.00 C ATOM 490 CZ TYR S 31 9.250 -19.791 2.051 1.00 0.00 C ATOM 491 OH TYR S 31 10.534 -20.191 2.354 1.00 0.00 O ATOM 0 H TYR S 31 2.941 -18.719 0.281 1.00 0.00 H new ATOM 0 HA TYR S 31 5.352 -18.223 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR S 31 5.172 -17.474 1.116 1.00 0.00 H new ATOM 0 HB3 TYR S 31 4.573 -19.021 1.680 1.00 0.00 H new ATOM 0 HD1 TYR S 31 7.644 -17.289 0.438 1.00 0.00 H new ATOM 0 HD2 TYR S 31 6.021 -20.696 2.441 1.00 0.00 H new ATOM 0 HE1 TYR S 31 9.918 -18.026 1.039 1.00 0.00 H new ATOM 0 HE2 TYR S 31 8.293 -21.456 3.006 1.00 0.00 H new ATOM 0 HH TYR S 31 10.505 -21.031 2.859 1.00 0.00 H new ATOM 501 N ASN S 32 4.570 -21.226 -1.245 1.00 0.00 N ATOM 502 CA ASN S 32 5.036 -22.432 -1.928 1.00 0.00 C ATOM 503 C ASN S 32 5.907 -22.076 -3.161 1.00 0.00 C ATOM 504 O ASN S 32 6.759 -22.849 -3.581 1.00 0.00 O ATOM 505 CB ASN S 32 3.840 -23.299 -2.357 1.00 0.00 C ATOM 506 CG ASN S 32 2.842 -23.466 -1.208 1.00 0.00 C ATOM 507 OD1 ASN S 32 2.080 -22.557 -0.910 1.00 0.00 O ATOM 508 ND2 ASN S 32 2.891 -24.641 -0.570 1.00 0.00 N ATOM 0 H ASN S 32 3.562 -21.160 -1.101 1.00 0.00 H new ATOM 0 HA ASN S 32 5.652 -22.997 -1.229 1.00 0.00 H new ATOM 0 HB2 ASN S 32 3.342 -22.841 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN S 32 4.194 -24.278 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN S 32 2.268 -24.820 0.217 1.00 0.00 H new ATOM 0 HD22 ASN S 32 3.552 -25.357 -0.871 1.00 0.00 H new ATOM 515 N MET S 33 5.637 -20.860 -3.691 1.00 0.00 N ATOM 516 CA MET S 33 6.429 -20.253 -4.755 1.00 0.00 C ATOM 517 C MET S 33 7.172 -19.040 -4.137 1.00 0.00 C ATOM 518 O MET S 33 6.857 -18.608 -3.034 1.00 0.00 O ATOM 519 CB MET S 33 5.507 -19.863 -5.934 1.00 0.00 C ATOM 520 CG MET S 33 4.147 -20.583 -5.977 1.00 0.00 C ATOM 521 SD MET S 33 4.276 -22.383 -5.871 1.00 0.00 S ATOM 522 CE MET S 33 4.155 -22.810 -7.612 1.00 0.00 C ATOM 0 H MET S 33 4.857 -20.280 -3.382 1.00 0.00 H new ATOM 0 HA MET S 33 7.167 -20.944 -5.164 1.00 0.00 H new ATOM 0 HB2 MET S 33 5.329 -18.788 -5.893 1.00 0.00 H new ATOM 0 HB3 MET S 33 6.034 -20.063 -6.867 1.00 0.00 H new ATOM 0 HG2 MET S 33 3.529 -20.223 -5.155 1.00 0.00 H new ATOM 0 HG3 MET S 33 3.634 -20.318 -6.902 1.00 0.00 H new ATOM 0 HE1 MET S 33 4.217 -23.892 -7.726 1.00 0.00 H new ATOM 0 HE2 MET S 33 3.203 -22.457 -8.008 1.00 0.00 H new ATOM 0 HE3 MET S 33 4.972 -22.340 -8.160 1.00 0.00 H new ATOM 532 N PRO S 34 8.190 -18.492 -4.856 1.00 0.00 N ATOM 533 CA PRO S 34 9.102 -17.535 -4.232 1.00 0.00 C ATOM 534 C PRO S 34 8.440 -16.166 -3.972 1.00 0.00 C ATOM 535 O PRO S 34 8.154 -15.408 -4.889 1.00 0.00 O ATOM 536 CB PRO S 34 10.248 -17.407 -5.250 1.00 0.00 C ATOM 537 CG PRO S 34 9.633 -17.797 -6.598 1.00 0.00 C ATOM 538 CD PRO S 34 8.505 -18.775 -6.256 1.00 0.00 C ATOM 0 HA PRO S 34 9.431 -17.872 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO S 34 10.640 -16.390 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO S 34 11.079 -18.063 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO S 34 9.250 -16.922 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO S 34 10.373 -18.262 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO S 34 7.637 -18.621 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO S 34 8.821 -19.809 -6.391 1.00 0.00 H new ATOM 546 N VAL S 35 8.270 -15.881 -2.666 1.00 0.00 N ATOM 547 CA VAL S 35 7.823 -14.562 -2.226 1.00 0.00 C ATOM 548 C VAL S 35 8.614 -14.176 -0.961 1.00 0.00 C ATOM 549 O VAL S 35 8.569 -14.842 0.076 1.00 0.00 O ATOM 550 CB VAL S 35 6.297 -14.550 -2.004 1.00 0.00 C ATOM 551 CG1 VAL S 35 5.845 -15.493 -0.886 1.00 0.00 C ATOM 552 CG2 VAL S 35 5.748 -13.133 -1.777 1.00 0.00 C ATOM 0 H VAL S 35 8.436 -16.545 -1.910 1.00 0.00 H new ATOM 0 HA VAL S 35 8.020 -13.815 -2.995 1.00 0.00 H new ATOM 0 HB VAL S 35 5.870 -14.928 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL S 35 4.762 -15.438 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL S 35 6.134 -16.515 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL S 35 6.317 -15.198 0.051 1.00 0.00 H new ATOM 0 HG21 VAL S 35 4.670 -13.180 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL S 35 6.219 -12.697 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL S 35 5.965 -12.515 -2.648 1.00 0.00 H new ATOM 562 N ILE S 36 9.345 -13.058 -1.118 1.00 0.00 N ATOM 563 CA ILE S 36 10.146 -12.515 -0.031 1.00 0.00 C ATOM 564 C ILE S 36 9.391 -11.323 0.585 1.00 0.00 C ATOM 565 O ILE S 36 9.417 -10.211 0.078 1.00 0.00 O ATOM 566 CB ILE S 36 11.541 -12.107 -0.550 1.00 0.00 C ATOM 567 CG1 ILE S 36 12.217 -13.273 -1.301 1.00 0.00 C ATOM 568 CG2 ILE S 36 12.420 -11.610 0.606 1.00 0.00 C ATOM 569 CD1 ILE S 36 13.726 -13.088 -1.514 1.00 0.00 C ATOM 0 H ILE S 36 9.391 -12.523 -1.985 1.00 0.00 H new ATOM 0 HA ILE S 36 10.301 -13.268 0.742 1.00 0.00 H new ATOM 0 HB ILE S 36 11.415 -11.288 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE S 36 12.049 -14.195 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE S 36 11.736 -13.394 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE S 36 13.400 -11.327 0.222 1.00 0.00 H new ATOM 0 HG22 ILE S 36 11.950 -10.745 1.075 1.00 0.00 H new ATOM 0 HG23 ILE S 36 12.535 -12.405 1.343 1.00 0.00 H new ATOM 0 HD11 ILE S 36 14.126 -13.949 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE S 36 13.903 -12.185 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE S 36 14.222 -12.998 -0.547 1.00 0.00 H new ATOM 581 N ALA S 37 8.749 -11.622 1.731 1.00 0.00 N ATOM 582 CA ALA S 37 8.014 -10.580 2.445 1.00 0.00 C ATOM 583 C ALA S 37 8.957 -9.459 2.907 1.00 0.00 C ATOM 584 O ALA S 37 8.699 -8.287 2.696 1.00 0.00 O ATOM 585 CB ALA S 37 7.281 -11.174 3.652 1.00 0.00 C ATOM 0 H ALA S 37 8.727 -12.545 2.164 1.00 0.00 H new ATOM 0 HA ALA S 37 7.283 -10.155 1.758 1.00 0.00 H new ATOM 0 HB1 ALA S 37 6.739 -10.385 4.173 1.00 0.00 H new ATOM 0 HB2 ALA S 37 6.578 -11.934 3.313 1.00 0.00 H new ATOM 0 HB3 ALA S 37 8.004 -11.626 4.331 1.00 0.00 H new ATOM 591 N GLU S 38 10.072 -9.881 3.537 1.00 0.00 N ATOM 592 CA GLU S 38 11.014 -8.922 4.127 1.00 0.00 C ATOM 593 C GLU S 38 11.450 -7.816 3.134 1.00 0.00 C ATOM 594 O GLU S 38 11.591 -6.646 3.477 1.00 0.00 O ATOM 595 CB GLU S 38 12.228 -9.678 4.703 1.00 0.00 C ATOM 596 CG GLU S 38 12.926 -10.611 3.696 1.00 0.00 C ATOM 597 CD GLU S 38 14.114 -11.336 4.334 1.00 0.00 C ATOM 598 OE1 GLU S 38 14.040 -12.008 5.312 1.00 0.00 O ATOM 599 OE2 GLU S 38 15.256 -11.135 3.649 1.00 0.00 O ATOM 0 H GLU S 38 10.335 -10.860 3.647 1.00 0.00 H new ATOM 0 HA GLU S 38 10.498 -8.403 4.935 1.00 0.00 H new ATOM 0 HB2 GLU S 38 12.953 -8.952 5.071 1.00 0.00 H new ATOM 0 HB3 GLU S 38 11.902 -10.266 5.561 1.00 0.00 H new ATOM 0 HG2 GLU S 38 12.211 -11.343 3.320 1.00 0.00 H new ATOM 0 HG3 GLU S 38 13.269 -10.032 2.839 1.00 0.00 H new ATOM 607 N ALA S 39 11.619 -8.264 1.875 1.00 0.00 N ATOM 608 CA ALA S 39 12.066 -7.382 0.806 1.00 0.00 C ATOM 609 C ALA S 39 11.114 -6.190 0.627 1.00 0.00 C ATOM 610 O ALA S 39 11.534 -5.100 0.267 1.00 0.00 O ATOM 611 CB ALA S 39 12.193 -8.180 -0.496 1.00 0.00 C ATOM 0 H ALA S 39 11.451 -9.227 1.585 1.00 0.00 H new ATOM 0 HA ALA S 39 13.042 -6.977 1.074 1.00 0.00 H new ATOM 0 HB1 ALA S 39 12.528 -7.520 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA S 39 12.918 -8.983 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA S 39 11.224 -8.606 -0.758 1.00 0.00 H new ATOM 617 N VAL S 40 9.826 -6.434 0.935 1.00 0.00 N ATOM 618 CA VAL S 40 8.833 -5.373 0.823 1.00 0.00 C ATOM 619 C VAL S 40 9.200 -4.163 1.709 1.00 0.00 C ATOM 620 O VAL S 40 9.101 -3.010 1.314 1.00 0.00 O ATOM 621 CB VAL S 40 7.430 -5.922 1.166 1.00 0.00 C ATOM 622 CG1 VAL S 40 7.086 -5.871 2.673 1.00 0.00 C ATOM 623 CG2 VAL S 40 6.371 -5.205 0.319 1.00 0.00 C ATOM 0 H VAL S 40 9.465 -7.333 1.254 1.00 0.00 H new ATOM 0 HA VAL S 40 8.820 -5.019 -0.208 1.00 0.00 H new ATOM 0 HB VAL S 40 7.436 -6.983 0.918 1.00 0.00 H new ATOM 0 HG11 VAL S 40 6.086 -6.274 2.832 1.00 0.00 H new ATOM 0 HG12 VAL S 40 7.809 -6.465 3.232 1.00 0.00 H new ATOM 0 HG13 VAL S 40 7.120 -4.838 3.019 1.00 0.00 H new ATOM 0 HG21 VAL S 40 5.383 -5.595 0.564 1.00 0.00 H new ATOM 0 HG22 VAL S 40 6.401 -4.136 0.528 1.00 0.00 H new ATOM 0 HG23 VAL S 40 6.575 -5.374 -0.738 1.00 0.00 H new ATOM 633 N GLU S 41 9.625 -4.501 2.944 1.00 0.00 N ATOM 634 CA GLU S 41 9.876 -3.459 3.930 1.00 0.00 C ATOM 635 C GLU S 41 11.103 -2.646 3.509 1.00 0.00 C ATOM 636 O GLU S 41 11.193 -1.446 3.719 1.00 0.00 O ATOM 637 CB GLU S 41 10.088 -4.086 5.318 1.00 0.00 C ATOM 638 CG GLU S 41 8.771 -4.474 6.010 1.00 0.00 C ATOM 639 CD GLU S 41 9.057 -5.025 7.414 1.00 0.00 C ATOM 640 OE1 GLU S 41 9.993 -5.704 7.690 1.00 0.00 O ATOM 641 OE2 GLU S 41 8.148 -4.613 8.327 1.00 0.00 O ATOM 0 H GLU S 41 9.793 -5.455 3.264 1.00 0.00 H new ATOM 0 HA GLU S 41 9.014 -2.794 3.985 1.00 0.00 H new ATOM 0 HB2 GLU S 41 10.714 -4.972 5.218 1.00 0.00 H new ATOM 0 HB3 GLU S 41 10.630 -3.382 5.950 1.00 0.00 H new ATOM 0 HG2 GLU S 41 8.117 -3.605 6.078 1.00 0.00 H new ATOM 0 HG3 GLU S 41 8.246 -5.223 5.417 1.00 0.00 H new ATOM 649 N ARG S 42 12.024 -3.391 2.878 1.00 0.00 N ATOM 650 CA ARG S 42 13.224 -2.763 2.355 1.00 0.00 C ATOM 651 C ARG S 42 12.899 -1.892 1.123 1.00 0.00 C ATOM 652 O ARG S 42 13.502 -0.853 0.895 1.00 0.00 O ATOM 653 CB ARG S 42 14.238 -3.862 2.017 1.00 0.00 C ATOM 654 CG ARG S 42 14.583 -4.740 3.238 1.00 0.00 C ATOM 655 CD ARG S 42 15.608 -5.848 2.942 1.00 0.00 C ATOM 656 NE ARG S 42 16.624 -5.410 1.989 1.00 0.00 N ATOM 657 CZ ARG S 42 17.584 -4.505 2.284 1.00 0.00 C ATOM 658 NH1 ARG S 42 17.708 -4.040 3.524 1.00 0.00 N ATOM 659 NH2 ARG S 42 18.395 -4.079 1.319 1.00 0.00 N ATOM 0 H ARG S 42 11.957 -4.397 2.726 1.00 0.00 H new ATOM 0 HA ARG S 42 13.652 -2.097 3.105 1.00 0.00 H new ATOM 0 HB2 ARG S 42 13.837 -4.491 1.222 1.00 0.00 H new ATOM 0 HB3 ARG S 42 15.150 -3.405 1.632 1.00 0.00 H new ATOM 0 HG2 ARG S 42 14.971 -4.103 4.033 1.00 0.00 H new ATOM 0 HG3 ARG S 42 13.668 -5.197 3.614 1.00 0.00 H new ATOM 0 HD2 ARG S 42 16.090 -6.154 3.871 1.00 0.00 H new ATOM 0 HD3 ARG S 42 15.092 -6.723 2.546 1.00 0.00 H new ATOM 0 HE ARG S 42 16.609 -5.808 1.050 1.00 0.00 H new ATOM 0 HH11 ARG S 42 17.077 -4.366 4.256 1.00 0.00 H new ATOM 0 HH12 ARG S 42 18.434 -3.357 3.742 1.00 0.00 H new ATOM 0 HH21 ARG S 42 18.289 -4.435 0.369 1.00 0.00 H new ATOM 0 HH22 ARG S 42 19.123 -3.396 1.529 1.00 0.00 H new ATOM 673 N GLU S 43 11.908 -2.384 0.358 1.00 0.00 N ATOM 674 CA GLU S 43 11.505 -1.737 -0.883 1.00 0.00 C ATOM 675 C GLU S 43 10.699 -0.456 -0.618 1.00 0.00 C ATOM 676 O GLU S 43 10.706 0.461 -1.429 1.00 0.00 O ATOM 677 CB GLU S 43 10.688 -2.735 -1.733 1.00 0.00 C ATOM 678 CG GLU S 43 10.046 -2.132 -2.999 1.00 0.00 C ATOM 679 CD GLU S 43 11.066 -1.382 -3.863 1.00 0.00 C ATOM 680 OE1 GLU S 43 12.218 -1.675 -3.953 1.00 0.00 O ATOM 681 OE2 GLU S 43 10.512 -0.327 -4.488 1.00 0.00 O ATOM 0 H GLU S 43 11.379 -3.226 0.585 1.00 0.00 H new ATOM 0 HA GLU S 43 12.400 -1.441 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU S 43 11.340 -3.557 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU S 43 9.901 -3.161 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU S 43 9.589 -2.928 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU S 43 9.246 -1.450 -2.710 1.00 0.00 H new ATOM 689 N GLN S 44 9.983 -0.450 0.522 1.00 0.00 N ATOM 690 CA GLN S 44 9.062 0.645 0.818 1.00 0.00 C ATOM 691 C GLN S 44 9.511 1.396 2.102 1.00 0.00 C ATOM 692 O GLN S 44 9.131 1.031 3.208 1.00 0.00 O ATOM 693 CB GLN S 44 7.634 0.074 0.937 1.00 0.00 C ATOM 694 CG GLN S 44 7.199 -0.884 -0.198 1.00 0.00 C ATOM 695 CD GLN S 44 7.096 -0.287 -1.613 1.00 0.00 C ATOM 696 OE1 GLN S 44 6.848 -1.004 -2.567 1.00 0.00 O ATOM 697 NE2 GLN S 44 7.292 1.025 -1.736 1.00 0.00 N ATOM 0 H GLN S 44 10.027 -1.178 1.235 1.00 0.00 H new ATOM 0 HA GLN S 44 9.069 1.378 0.011 1.00 0.00 H new ATOM 0 HB2 GLN S 44 7.552 -0.456 1.886 1.00 0.00 H new ATOM 0 HB3 GLN S 44 6.931 0.906 0.975 1.00 0.00 H new ATOM 0 HG2 GLN S 44 7.905 -1.714 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN S 44 6.227 -1.302 0.065 1.00 0.00 H new ATOM 0 HE21 GLN S 44 7.497 1.589 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN S 44 7.237 1.465 -2.655 1.00 0.00 H new ATOM 706 N PRO S 45 10.326 2.482 1.919 1.00 0.00 N ATOM 707 CA PRO S 45 10.873 3.248 3.041 1.00 0.00 C ATOM 708 C PRO S 45 9.852 3.771 4.070 1.00 0.00 C ATOM 709 O PRO S 45 8.713 4.093 3.745 1.00 0.00 O ATOM 710 CB PRO S 45 11.644 4.422 2.403 1.00 0.00 C ATOM 711 CG PRO S 45 11.794 4.087 0.916 1.00 0.00 C ATOM 712 CD PRO S 45 10.778 2.983 0.619 1.00 0.00 C ATOM 0 HA PRO S 45 11.495 2.578 3.635 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.104 5.359 2.537 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.620 4.546 2.873 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.605 4.965 0.299 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.807 3.753 0.693 1.00 0.00 H new ATOM 0 HD2 PRO S 45 9.941 3.371 0.039 1.00 0.00 H new ATOM 0 HD3 PRO S 45 11.231 2.185 0.031 1.00 0.00 H new ATOM 720 N GLU S 46 10.364 3.919 5.310 1.00 0.00 N ATOM 721 CA GLU S 46 9.562 4.389 6.442 1.00 0.00 C ATOM 722 C GLU S 46 8.728 5.661 6.153 1.00 0.00 C ATOM 723 O GLU S 46 7.723 5.886 6.810 1.00 0.00 O ATOM 724 CB GLU S 46 10.460 4.536 7.693 1.00 0.00 C ATOM 725 CG GLU S 46 9.871 5.372 8.854 1.00 0.00 C ATOM 726 CD GLU S 46 9.994 6.881 8.578 1.00 0.00 C ATOM 727 OE1 GLU S 46 10.651 7.343 7.698 1.00 0.00 O ATOM 728 OE2 GLU S 46 9.225 7.620 9.398 1.00 0.00 O ATOM 0 H GLU S 46 11.336 3.717 5.546 1.00 0.00 H new ATOM 0 HA GLU S 46 8.808 3.626 6.635 1.00 0.00 H new ATOM 0 HB2 GLU S 46 10.691 3.540 8.069 1.00 0.00 H new ATOM 0 HB3 GLU S 46 11.404 4.988 7.388 1.00 0.00 H new ATOM 0 HG2 GLU S 46 8.822 5.111 8.997 1.00 0.00 H new ATOM 0 HG3 GLU S 46 10.390 5.127 9.781 1.00 0.00 H new ATOM 736 N HIS S 47 9.149 6.473 5.160 1.00 0.00 N ATOM 737 CA HIS S 47 8.439 7.734 4.901 1.00 0.00 C ATOM 738 C HIS S 47 6.917 7.561 4.668 1.00 0.00 C ATOM 739 O HIS S 47 6.145 8.491 4.846 1.00 0.00 O ATOM 740 CB HIS S 47 9.092 8.501 3.733 1.00 0.00 C ATOM 741 CG HIS S 47 8.955 7.791 2.396 1.00 0.00 C ATOM 742 ND1 HIS S 47 8.853 6.451 2.227 1.00 0.00 N ATOM 743 CD2 HIS S 47 8.926 8.392 1.123 1.00 0.00 C ATOM 744 CE1 HIS S 47 8.767 6.249 0.900 1.00 0.00 C ATOM 745 NE2 HIS S 47 8.808 7.401 0.207 1.00 0.00 N ATOM 0 H HIS S 47 9.944 6.286 4.549 1.00 0.00 H new ATOM 0 HA HIS S 47 8.534 8.323 5.813 1.00 0.00 H new ATOM 0 HB2 HIS S 47 8.640 9.490 3.659 1.00 0.00 H new ATOM 0 HB3 HIS S 47 10.150 8.649 3.951 1.00 0.00 H new ATOM 0 HD1 HIS S 47 8.843 5.739 2.958 1.00 0.00 H new ATOM 0 HD2 HIS S 47 8.987 9.450 0.915 1.00 0.00 H new ATOM 0 HE1 HIS S 47 8.676 5.274 0.444 1.00 0.00 H new ATOM 754 N LEU S 48 6.535 6.335 4.254 1.00 0.00 N ATOM 755 CA LEU S 48 5.134 6.031 3.970 1.00 0.00 C ATOM 756 C LEU S 48 4.572 4.963 4.929 1.00 0.00 C ATOM 757 O LEU S 48 3.639 4.241 4.600 1.00 0.00 O ATOM 758 CB LEU S 48 5.028 5.613 2.496 1.00 0.00 C ATOM 759 CG LEU S 48 5.901 4.417 2.069 1.00 0.00 C ATOM 760 CD1 LEU S 48 5.435 3.077 2.657 1.00 0.00 C ATOM 761 CD2 LEU S 48 5.943 4.339 0.547 1.00 0.00 C ATOM 0 H LEU S 48 7.175 5.554 4.113 1.00 0.00 H new ATOM 0 HA LEU S 48 4.520 6.916 4.138 1.00 0.00 H new ATOM 0 HB2 LEU S 48 3.987 5.373 2.281 1.00 0.00 H new ATOM 0 HB3 LEU S 48 5.292 6.470 1.876 1.00 0.00 H new ATOM 0 HG LEU S 48 6.899 4.592 2.470 1.00 0.00 H new ATOM 0 HD11 LEU S 48 6.095 2.280 2.314 1.00 0.00 H new ATOM 0 HD12 LEU S 48 5.462 3.128 3.745 1.00 0.00 H new ATOM 0 HD13 LEU S 48 4.416 2.870 2.329 1.00 0.00 H new ATOM 0 HD21 LEU S 48 6.560 3.494 0.243 1.00 0.00 H new ATOM 0 HD22 LEU S 48 4.932 4.208 0.161 1.00 0.00 H new ATOM 0 HD23 LEU S 48 6.367 5.260 0.147 1.00 0.00 H new ATOM 773 N ARG S 49 5.189 4.873 6.124 1.00 0.00 N ATOM 774 CA ARG S 49 4.893 3.768 7.042 1.00 0.00 C ATOM 775 C ARG S 49 3.392 3.642 7.379 1.00 0.00 C ATOM 776 O ARG S 49 2.881 2.551 7.617 1.00 0.00 O ATOM 777 CB ARG S 49 5.742 3.893 8.330 1.00 0.00 C ATOM 778 CG ARG S 49 6.746 2.740 8.475 1.00 0.00 C ATOM 779 CD ARG S 49 6.068 1.446 8.932 1.00 0.00 C ATOM 780 NE ARG S 49 6.823 0.282 8.483 1.00 0.00 N ATOM 781 CZ ARG S 49 6.826 -0.926 9.095 1.00 0.00 C ATOM 782 NH1 ARG S 49 6.290 -1.085 10.305 1.00 0.00 N ATOM 783 NH2 ARG S 49 7.365 -1.958 8.454 1.00 0.00 N ATOM 0 H ARG S 49 5.881 5.540 6.466 1.00 0.00 H new ATOM 0 HA ARG S 49 5.164 2.849 6.523 1.00 0.00 H new ATOM 0 HB2 ARG S 49 6.279 4.841 8.319 1.00 0.00 H new ATOM 0 HB3 ARG S 49 5.083 3.910 9.198 1.00 0.00 H new ATOM 0 HG2 ARG S 49 7.245 2.571 7.521 1.00 0.00 H new ATOM 0 HG3 ARG S 49 7.517 3.019 9.193 1.00 0.00 H new ATOM 0 HD2 ARG S 49 5.987 1.436 10.019 1.00 0.00 H new ATOM 0 HD3 ARG S 49 5.053 1.402 8.537 1.00 0.00 H new ATOM 0 HE ARG S 49 7.393 0.386 7.643 1.00 0.00 H new ATOM 0 HH11 ARG S 49 5.869 -0.290 10.785 1.00 0.00 H new ATOM 0 HH12 ARG S 49 6.301 -2.002 10.751 1.00 0.00 H new ATOM 0 HH21 ARG S 49 7.763 -1.829 7.524 1.00 0.00 H new ATOM 0 HH22 ARG S 49 7.380 -2.879 8.892 1.00 0.00 H new ATOM 797 N SER S 50 2.745 4.819 7.369 1.00 0.00 N ATOM 798 CA SER S 50 1.315 4.957 7.580 1.00 0.00 C ATOM 799 C SER S 50 0.532 4.309 6.425 1.00 0.00 C ATOM 800 O SER S 50 -0.383 3.521 6.623 1.00 0.00 O ATOM 801 CB SER S 50 1.053 6.465 7.631 1.00 0.00 C ATOM 802 OG SER S 50 1.833 7.069 6.600 1.00 0.00 O ATOM 0 H SER S 50 3.218 5.709 7.211 1.00 0.00 H new ATOM 0 HA SER S 50 0.992 4.460 8.495 1.00 0.00 H new ATOM 0 HB2 SER S 50 -0.006 6.676 7.484 1.00 0.00 H new ATOM 0 HB3 SER S 50 1.326 6.869 8.606 1.00 0.00 H new ATOM 0 HG SER S 50 1.686 8.038 6.604 1.00 0.00 H new ATOM 808 N TRP S 51 0.968 4.677 5.207 1.00 0.00 N ATOM 809 CA TRP S 51 0.368 4.148 3.986 1.00 0.00 C ATOM 810 C TRP S 51 0.446 2.614 3.973 1.00 0.00 C ATOM 811 O TRP S 51 -0.547 1.918 3.794 1.00 0.00 O ATOM 812 CB TRP S 51 1.080 4.746 2.759 1.00 0.00 C ATOM 813 CG TRP S 51 0.428 4.278 1.476 1.00 0.00 C ATOM 814 CD1 TRP S 51 0.994 3.419 0.529 1.00 0.00 C ATOM 815 CD2 TRP S 51 -0.872 4.641 0.968 1.00 0.00 C ATOM 816 NE1 TRP S 51 0.126 3.235 -0.496 1.00 0.00 N ATOM 817 CE2 TRP S 51 -1.039 3.952 -0.259 1.00 0.00 C ATOM 818 CE3 TRP S 51 -1.881 5.428 1.464 1.00 0.00 C ATOM 819 CZ2 TRP S 51 -2.180 4.118 -0.999 1.00 0.00 C ATOM 820 CZ3 TRP S 51 -3.049 5.590 0.716 1.00 0.00 C ATOM 821 CH2 TRP S 51 -3.204 4.925 -0.503 1.00 0.00 C ATOM 0 H TRP S 51 1.731 5.336 5.050 1.00 0.00 H new ATOM 0 HA TRP S 51 -0.684 4.430 3.951 1.00 0.00 H new ATOM 0 HB2 TRP S 51 1.050 5.834 2.811 1.00 0.00 H new ATOM 0 HB3 TRP S 51 2.130 4.455 2.765 1.00 0.00 H new ATOM 0 HD1 TRP S 51 1.974 2.970 0.603 1.00 0.00 H new ATOM 0 HE1 TRP S 51 0.302 2.657 -1.318 1.00 0.00 H new ATOM 0 HE3 TRP S 51 -1.773 5.916 2.421 1.00 0.00 H new ATOM 0 HZ2 TRP S 51 -2.286 3.629 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP S 51 -3.836 6.232 1.082 1.00 0.00 H new ATOM 0 HH2 TRP S 51 -4.120 5.036 -1.064 1.00 0.00 H new ATOM 832 N PHE S 52 1.687 2.140 4.212 1.00 0.00 N ATOM 833 CA PHE S 52 1.917 0.699 4.259 1.00 0.00 C ATOM 834 C PHE S 52 1.018 0.049 5.328 1.00 0.00 C ATOM 835 O PHE S 52 0.441 -1.010 5.116 1.00 0.00 O ATOM 836 CB PHE S 52 3.408 0.395 4.511 1.00 0.00 C ATOM 837 CG PHE S 52 3.774 -1.015 4.111 1.00 0.00 C ATOM 838 CD1 PHE S 52 3.396 -2.104 4.895 1.00 0.00 C ATOM 839 CD2 PHE S 52 4.486 -1.252 2.938 1.00 0.00 C ATOM 840 CE1 PHE S 52 3.706 -3.401 4.508 1.00 0.00 C ATOM 841 CE2 PHE S 52 4.800 -2.548 2.549 1.00 0.00 C ATOM 842 CZ PHE S 52 4.403 -3.622 3.331 1.00 0.00 C ATOM 0 H PHE S 52 2.512 2.718 4.369 1.00 0.00 H new ATOM 0 HA PHE S 52 1.653 0.268 3.293 1.00 0.00 H new ATOM 0 HB2 PHE S 52 4.021 1.101 3.952 1.00 0.00 H new ATOM 0 HB3 PHE S 52 3.635 0.543 5.567 1.00 0.00 H new ATOM 0 HD1 PHE S 52 2.855 -1.937 5.815 1.00 0.00 H new ATOM 0 HD2 PHE S 52 4.797 -0.420 2.324 1.00 0.00 H new ATOM 0 HE1 PHE S 52 3.404 -4.236 5.123 1.00 0.00 H new ATOM 0 HE2 PHE S 52 5.353 -2.719 1.637 1.00 0.00 H new ATOM 0 HZ PHE S 52 4.637 -4.630 3.023 1.00 0.00 H new ATOM 852 N ARG S 53 0.918 0.754 6.481 1.00 0.00 N ATOM 853 CA ARG S 53 0.069 0.248 7.557 1.00 0.00 C ATOM 854 C ARG S 53 -1.369 0.030 7.066 1.00 0.00 C ATOM 855 O ARG S 53 -1.897 -1.071 7.110 1.00 0.00 O ATOM 856 CB ARG S 53 0.064 1.180 8.791 1.00 0.00 C ATOM 857 CG ARG S 53 -0.465 0.494 10.073 1.00 0.00 C ATOM 858 CD ARG S 53 0.570 -0.241 10.954 1.00 0.00 C ATOM 859 NE ARG S 53 1.457 -1.109 10.181 1.00 0.00 N ATOM 860 CZ ARG S 53 2.572 -0.652 9.571 1.00 0.00 C ATOM 861 NH1 ARG S 53 3.014 0.569 9.846 1.00 0.00 N ATOM 862 NH2 ARG S 53 3.199 -1.418 8.682 1.00 0.00 N ATOM 0 H ARG S 53 1.396 1.634 6.675 1.00 0.00 H new ATOM 0 HA ARG S 53 0.494 -0.708 7.863 1.00 0.00 H new ATOM 0 HB2 ARG S 53 1.077 1.539 8.971 1.00 0.00 H new ATOM 0 HB3 ARG S 53 -0.550 2.054 8.575 1.00 0.00 H new ATOM 0 HG2 ARG S 53 -0.954 1.252 10.685 1.00 0.00 H new ATOM 0 HG3 ARG S 53 -1.232 -0.224 9.781 1.00 0.00 H new ATOM 0 HD2 ARG S 53 1.168 0.493 11.494 1.00 0.00 H new ATOM 0 HD3 ARG S 53 0.046 -0.837 11.701 1.00 0.00 H new ATOM 0 HE ARG S 53 1.225 -2.099 10.099 1.00 0.00 H new ATOM 0 HH11 ARG S 53 2.512 1.155 10.514 1.00 0.00 H new ATOM 0 HH12 ARG S 53 3.855 0.922 9.390 1.00 0.00 H new ATOM 0 HH21 ARG S 53 2.837 -2.346 8.464 1.00 0.00 H new ATOM 0 HH22 ARG S 53 4.041 -1.077 8.219 1.00 0.00 H new ATOM 876 N GLU S 54 -1.952 1.145 6.590 1.00 0.00 N ATOM 877 CA GLU S 54 -3.359 1.162 6.209 1.00 0.00 C ATOM 878 C GLU S 54 -3.649 0.089 5.145 1.00 0.00 C ATOM 879 O GLU S 54 -4.639 -0.632 5.184 1.00 0.00 O ATOM 880 CB GLU S 54 -3.726 2.572 5.721 1.00 0.00 C ATOM 881 CG GLU S 54 -5.228 2.717 5.427 1.00 0.00 C ATOM 882 CD GLU S 54 -5.627 4.177 5.186 1.00 0.00 C ATOM 883 OE1 GLU S 54 -6.505 4.736 5.759 1.00 0.00 O ATOM 884 OE2 GLU S 54 -4.890 4.760 4.220 1.00 0.00 O ATOM 0 H GLU S 54 -1.468 2.034 6.464 1.00 0.00 H new ATOM 0 HA GLU S 54 -3.980 0.921 7.072 1.00 0.00 H new ATOM 0 HB2 GLU S 54 -3.434 3.302 6.476 1.00 0.00 H new ATOM 0 HB3 GLU S 54 -3.158 2.801 4.819 1.00 0.00 H new ATOM 0 HG2 GLU S 54 -5.485 2.121 4.551 1.00 0.00 H new ATOM 0 HG3 GLU S 54 -5.801 2.318 6.264 1.00 0.00 H new ATOM 892 N ARG S 55 -2.697 0.014 4.202 1.00 0.00 N ATOM 893 CA ARG S 55 -2.797 -0.989 3.156 1.00 0.00 C ATOM 894 C ARG S 55 -2.754 -2.408 3.725 1.00 0.00 C ATOM 895 O ARG S 55 -3.491 -3.265 3.259 1.00 0.00 O ATOM 896 CB ARG S 55 -1.729 -0.722 2.084 1.00 0.00 C ATOM 897 CG ARG S 55 -2.221 0.151 0.913 1.00 0.00 C ATOM 898 CD ARG S 55 -3.029 1.402 1.296 1.00 0.00 C ATOM 899 NE ARG S 55 -4.446 1.087 1.485 1.00 0.00 N ATOM 900 CZ ARG S 55 -5.374 2.033 1.746 1.00 0.00 C ATOM 901 NH1 ARG S 55 -5.011 3.307 1.820 1.00 0.00 N ATOM 902 NH2 ARG S 55 -6.647 1.684 1.931 1.00 0.00 N ATOM 0 H ARG S 55 -1.878 0.619 4.149 1.00 0.00 H new ATOM 0 HA ARG S 55 -3.770 -0.911 2.671 1.00 0.00 H new ATOM 0 HB2 ARG S 55 -0.873 -0.236 2.552 1.00 0.00 H new ATOM 0 HB3 ARG S 55 -1.378 -1.676 1.690 1.00 0.00 H new ATOM 0 HG2 ARG S 55 -1.354 0.467 0.332 1.00 0.00 H new ATOM 0 HG3 ARG S 55 -2.835 -0.467 0.258 1.00 0.00 H new ATOM 0 HD2 ARG S 55 -2.625 1.831 2.213 1.00 0.00 H new ATOM 0 HD3 ARG S 55 -2.924 2.157 0.517 1.00 0.00 H new ATOM 0 HE ARG S 55 -4.745 0.114 1.417 1.00 0.00 H new ATOM 0 HH11 ARG S 55 -4.035 3.568 1.680 1.00 0.00 H new ATOM 0 HH12 ARG S 55 -5.708 4.025 2.017 1.00 0.00 H new ATOM 0 HH21 ARG S 55 -6.920 0.703 1.875 1.00 0.00 H new ATOM 0 HH22 ARG S 55 -7.348 2.398 2.128 1.00 0.00 H new ATOM 916 N LEU S 56 -1.912 -2.626 4.752 1.00 0.00 N ATOM 917 CA LEU S 56 -1.827 -3.954 5.364 1.00 0.00 C ATOM 918 C LEU S 56 -3.225 -4.519 5.718 1.00 0.00 C ATOM 919 O LEU S 56 -3.518 -5.685 5.479 1.00 0.00 O ATOM 920 CB LEU S 56 -0.830 -3.940 6.550 1.00 0.00 C ATOM 921 CG LEU S 56 -1.430 -3.998 7.976 1.00 0.00 C ATOM 922 CD1 LEU S 56 -1.916 -5.411 8.349 1.00 0.00 C ATOM 923 CD2 LEU S 56 -0.438 -3.466 9.011 1.00 0.00 C ATOM 0 H LEU S 56 -1.300 -1.920 5.162 1.00 0.00 H new ATOM 0 HA LEU S 56 -1.424 -4.654 4.632 1.00 0.00 H new ATOM 0 HB2 LEU S 56 -0.153 -4.786 6.433 1.00 0.00 H new ATOM 0 HB3 LEU S 56 -0.226 -3.036 6.474 1.00 0.00 H new ATOM 0 HG LEU S 56 -2.307 -3.351 7.978 1.00 0.00 H new ATOM 0 HD11 LEU S 56 -2.328 -5.399 9.358 1.00 0.00 H new ATOM 0 HD12 LEU S 56 -2.686 -5.728 7.646 1.00 0.00 H new ATOM 0 HD13 LEU S 56 -1.078 -6.107 8.307 1.00 0.00 H new ATOM 0 HD21 LEU S 56 -0.885 -3.518 10.004 1.00 0.00 H new ATOM 0 HD22 LEU S 56 0.469 -4.070 8.989 1.00 0.00 H new ATOM 0 HD23 LEU S 56 -0.190 -2.430 8.779 1.00 0.00 H new ATOM 935 N ILE S 57 -4.069 -3.615 6.267 1.00 0.00 N ATOM 936 CA ILE S 57 -5.398 -4.024 6.723 1.00 0.00 C ATOM 937 C ILE S 57 -6.312 -4.376 5.529 1.00 0.00 C ATOM 938 O ILE S 57 -7.130 -5.287 5.586 1.00 0.00 O ATOM 939 CB ILE S 57 -6.016 -2.945 7.639 1.00 0.00 C ATOM 940 CG1 ILE S 57 -5.128 -2.688 8.879 1.00 0.00 C ATOM 941 CG2 ILE S 57 -7.441 -3.320 8.079 1.00 0.00 C ATOM 942 CD1 ILE S 57 -4.505 -1.292 8.869 1.00 0.00 C ATOM 0 H ILE S 57 -3.853 -2.627 6.398 1.00 0.00 H new ATOM 0 HA ILE S 57 -5.297 -4.932 7.318 1.00 0.00 H new ATOM 0 HB ILE S 57 -6.072 -2.027 7.054 1.00 0.00 H new ATOM 0 HG12 ILE S 57 -5.726 -2.810 9.782 1.00 0.00 H new ATOM 0 HG13 ILE S 57 -4.336 -3.436 8.917 1.00 0.00 H new ATOM 0 HG21 ILE S 57 -7.841 -2.536 8.722 1.00 0.00 H new ATOM 0 HG22 ILE S 57 -8.077 -3.428 7.200 1.00 0.00 H new ATOM 0 HG23 ILE S 57 -7.417 -4.262 8.627 1.00 0.00 H new ATOM 0 HD11 ILE S 57 -3.891 -1.161 9.760 1.00 0.00 H new ATOM 0 HD12 ILE S 57 -3.884 -1.177 7.981 1.00 0.00 H new ATOM 0 HD13 ILE S 57 -5.295 -0.541 8.859 1.00 0.00 H new ATOM 954 N ALA S 58 -6.113 -3.625 4.435 1.00 0.00 N ATOM 955 CA ALA S 58 -6.901 -3.912 3.239 1.00 0.00 C ATOM 956 C ALA S 58 -6.440 -5.238 2.594 1.00 0.00 C ATOM 957 O ALA S 58 -7.209 -6.023 2.054 1.00 0.00 O ATOM 958 CB ALA S 58 -6.747 -2.735 2.268 1.00 0.00 C ATOM 0 H ALA S 58 -5.449 -2.855 4.357 1.00 0.00 H new ATOM 0 HA ALA S 58 -7.953 -4.030 3.499 1.00 0.00 H new ATOM 0 HB1 ALA S 58 -7.328 -2.929 1.366 1.00 0.00 H new ATOM 0 HB2 ALA S 58 -7.107 -1.822 2.743 1.00 0.00 H new ATOM 0 HB3 ALA S 58 -5.696 -2.616 2.004 1.00 0.00 H new ATOM 964 N HIS S 59 -5.114 -5.422 2.679 1.00 0.00 N ATOM 965 CA HIS S 59 -4.445 -6.497 1.962 1.00 0.00 C ATOM 966 C HIS S 59 -4.708 -7.842 2.621 1.00 0.00 C ATOM 967 O HIS S 59 -4.884 -8.845 1.946 1.00 0.00 O ATOM 968 CB HIS S 59 -2.942 -6.214 1.911 1.00 0.00 C ATOM 969 CG HIS S 59 -2.653 -5.040 0.999 1.00 0.00 C ATOM 970 ND1 HIS S 59 -1.407 -4.722 0.610 1.00 0.00 N ATOM 971 CD2 HIS S 59 -3.542 -4.120 0.407 1.00 0.00 C ATOM 972 CE1 HIS S 59 -1.532 -3.653 -0.191 1.00 0.00 C ATOM 973 NE2 HIS S 59 -2.808 -3.262 -0.332 1.00 0.00 N ATOM 0 H HIS S 59 -4.492 -4.837 3.238 1.00 0.00 H new ATOM 0 HA HIS S 59 -4.842 -6.542 0.948 1.00 0.00 H new ATOM 0 HB2 HIS S 59 -2.572 -6.002 2.914 1.00 0.00 H new ATOM 0 HB3 HIS S 59 -2.412 -7.097 1.555 1.00 0.00 H new ATOM 0 HD2 HIS S 59 -4.616 -4.105 0.524 1.00 0.00 H new ATOM 0 HE1 HIS S 59 -0.698 -3.161 -0.669 1.00 0.00 H new ATOM 0 HE2 HIS S 59 -3.153 -2.477 -0.885 1.00 0.00 H new ATOM 982 N ARG S 60 -4.760 -7.818 3.966 1.00 0.00 N ATOM 983 CA ARG S 60 -5.170 -9.035 4.661 1.00 0.00 C ATOM 984 C ARG S 60 -6.589 -9.450 4.223 1.00 0.00 C ATOM 985 O ARG S 60 -6.845 -10.606 3.929 1.00 0.00 O ATOM 986 CB ARG S 60 -5.044 -8.884 6.186 1.00 0.00 C ATOM 987 CG ARG S 60 -5.829 -7.700 6.767 1.00 0.00 C ATOM 988 CD ARG S 60 -5.642 -7.466 8.269 1.00 0.00 C ATOM 989 NE ARG S 60 -6.046 -8.647 9.027 1.00 0.00 N ATOM 990 CZ ARG S 60 -5.187 -9.620 9.408 1.00 0.00 C ATOM 991 NH1 ARG S 60 -3.887 -9.507 9.149 1.00 0.00 N ATOM 992 NH2 ARG S 60 -5.653 -10.696 10.037 1.00 0.00 N ATOM 0 H ARG S 60 -4.537 -7.017 4.557 1.00 0.00 H new ATOM 0 HA ARG S 60 -4.492 -9.841 4.379 1.00 0.00 H new ATOM 0 HB2 ARG S 60 -5.389 -9.802 6.661 1.00 0.00 H new ATOM 0 HB3 ARG S 60 -3.991 -8.769 6.443 1.00 0.00 H new ATOM 0 HG2 ARG S 60 -5.536 -6.795 6.235 1.00 0.00 H new ATOM 0 HG3 ARG S 60 -6.890 -7.856 6.569 1.00 0.00 H new ATOM 0 HD2 ARG S 60 -4.598 -7.232 8.479 1.00 0.00 H new ATOM 0 HD3 ARG S 60 -6.232 -6.605 8.585 1.00 0.00 H new ATOM 0 HE ARG S 60 -7.029 -8.743 9.283 1.00 0.00 H new ATOM 0 HH11 ARG S 60 -3.534 -8.684 8.661 1.00 0.00 H new ATOM 0 HH12 ARG S 60 -3.243 -10.243 9.438 1.00 0.00 H new ATOM 0 HH21 ARG S 60 -6.651 -10.782 10.228 1.00 0.00 H new ATOM 0 HH22 ARG S 60 -5.012 -11.434 10.328 1.00 0.00 H new ATOM 1006 N LEU S 61 -7.473 -8.435 4.141 1.00 0.00 N ATOM 1007 CA LEU S 61 -8.846 -8.678 3.699 1.00 0.00 C ATOM 1008 C LEU S 61 -8.876 -9.360 2.314 1.00 0.00 C ATOM 1009 O LEU S 61 -9.510 -10.390 2.109 1.00 0.00 O ATOM 1010 CB LEU S 61 -9.626 -7.346 3.726 1.00 0.00 C ATOM 1011 CG LEU S 61 -10.549 -7.238 4.951 1.00 0.00 C ATOM 1012 CD1 LEU S 61 -10.870 -5.777 5.288 1.00 0.00 C ATOM 1013 CD2 LEU S 61 -11.838 -8.044 4.731 1.00 0.00 C ATOM 0 H LEU S 61 -7.261 -7.464 4.371 1.00 0.00 H new ATOM 0 HA LEU S 61 -9.336 -9.372 4.382 1.00 0.00 H new ATOM 0 HB2 LEU S 61 -8.921 -6.514 3.730 1.00 0.00 H new ATOM 0 HB3 LEU S 61 -10.220 -7.256 2.817 1.00 0.00 H new ATOM 0 HG LEU S 61 -10.018 -7.662 5.804 1.00 0.00 H new ATOM 0 HD11 LEU S 61 -11.524 -5.740 6.159 1.00 0.00 H new ATOM 0 HD12 LEU S 61 -9.945 -5.242 5.506 1.00 0.00 H new ATOM 0 HD13 LEU S 61 -11.369 -5.309 4.439 1.00 0.00 H new ATOM 0 HD21 LEU S 61 -12.477 -7.955 5.609 1.00 0.00 H new ATOM 0 HD22 LEU S 61 -12.364 -7.658 3.858 1.00 0.00 H new ATOM 0 HD23 LEU S 61 -11.588 -9.093 4.569 1.00 0.00 H new ATOM 1025 N ALA S 62 -8.110 -8.746 1.394 1.00 0.00 N ATOM 1026 CA ALA S 62 -7.983 -9.314 0.053 1.00 0.00 C ATOM 1027 C ALA S 62 -7.374 -10.733 0.085 1.00 0.00 C ATOM 1028 O ALA S 62 -7.734 -11.613 -0.680 1.00 0.00 O ATOM 1029 CB ALA S 62 -7.120 -8.381 -0.803 1.00 0.00 C ATOM 0 H ALA S 62 -7.588 -7.884 1.552 1.00 0.00 H new ATOM 0 HA ALA S 62 -8.979 -9.404 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA S 62 -7.019 -8.796 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA S 62 -7.593 -7.401 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA S 62 -6.133 -8.281 -0.351 1.00 0.00 H new ATOM 1035 N SER S 63 -6.439 -10.916 1.028 1.00 0.00 N ATOM 1036 CA SER S 63 -5.768 -12.203 1.154 1.00 0.00 C ATOM 1037 C SER S 63 -6.783 -13.315 1.464 1.00 0.00 C ATOM 1038 O SER S 63 -6.808 -14.356 0.821 1.00 0.00 O ATOM 1039 CB SER S 63 -4.698 -12.111 2.252 1.00 0.00 C ATOM 1040 OG SER S 63 -3.878 -13.258 2.342 1.00 0.00 O ATOM 0 H SER S 63 -6.141 -10.205 1.696 1.00 0.00 H new ATOM 0 HA SER S 63 -5.285 -12.453 0.209 1.00 0.00 H new ATOM 0 HB2 SER S 63 -4.070 -11.240 2.063 1.00 0.00 H new ATOM 0 HB3 SER S 63 -5.188 -11.949 3.212 1.00 0.00 H new ATOM 0 HG SER S 63 -3.327 -13.204 3.151 1.00 0.00 H new ATOM 1046 N VAL S 64 -7.637 -13.024 2.469 1.00 0.00 N ATOM 1047 CA VAL S 64 -8.619 -14.035 2.865 1.00 0.00 C ATOM 1048 C VAL S 64 -9.690 -14.219 1.770 1.00 0.00 C ATOM 1049 O VAL S 64 -10.168 -15.321 1.534 1.00 0.00 O ATOM 1050 CB VAL S 64 -9.267 -13.756 4.249 1.00 0.00 C ATOM 1051 CG1 VAL S 64 -9.141 -14.981 5.166 1.00 0.00 C ATOM 1052 CG2 VAL S 64 -8.718 -12.517 4.962 1.00 0.00 C ATOM 0 H VAL S 64 -7.664 -12.148 2.990 1.00 0.00 H new ATOM 0 HA VAL S 64 -8.070 -14.970 2.976 1.00 0.00 H new ATOM 0 HB VAL S 64 -10.316 -13.550 4.039 1.00 0.00 H new ATOM 0 HG11 VAL S 64 -9.601 -14.763 6.130 1.00 0.00 H new ATOM 0 HG12 VAL S 64 -9.644 -15.832 4.707 1.00 0.00 H new ATOM 0 HG13 VAL S 64 -8.087 -15.219 5.313 1.00 0.00 H new ATOM 0 HG21 VAL S 64 -9.224 -12.395 5.920 1.00 0.00 H new ATOM 0 HG22 VAL S 64 -7.648 -12.638 5.129 1.00 0.00 H new ATOM 0 HG23 VAL S 64 -8.891 -11.635 4.345 1.00 0.00 H new ATOM 1062 N ASN S 65 -10.047 -13.088 1.118 1.00 0.00 N ATOM 1063 CA ASN S 65 -11.080 -13.187 0.080 1.00 0.00 C ATOM 1064 C ASN S 65 -10.569 -13.963 -1.154 1.00 0.00 C ATOM 1065 O ASN S 65 -11.341 -14.573 -1.888 1.00 0.00 O ATOM 1066 CB ASN S 65 -11.724 -11.812 -0.241 1.00 0.00 C ATOM 1067 CG ASN S 65 -11.197 -11.062 -1.485 1.00 0.00 C ATOM 1068 OD1 ASN S 65 -10.136 -11.334 -2.019 1.00 0.00 O ATOM 1069 ND2 ASN S 65 -12.041 -10.148 -1.970 1.00 0.00 N ATOM 0 H ASN S 65 -9.661 -12.158 1.281 1.00 0.00 H new ATOM 0 HA ASN S 65 -11.901 -13.785 0.476 1.00 0.00 H new ATOM 0 HB2 ASN S 65 -12.797 -11.961 -0.365 1.00 0.00 H new ATOM 0 HB3 ASN S 65 -11.590 -11.165 0.626 1.00 0.00 H new ATOM 0 HD21 ASN S 65 -11.809 -9.642 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN S 65 -12.918 -9.956 -1.486 1.00 0.00 H new ATOM 1076 N LEU S 66 -9.234 -13.889 -1.338 1.00 0.00 N ATOM 1077 CA LEU S 66 -8.491 -14.480 -2.449 1.00 0.00 C ATOM 1078 C LEU S 66 -8.670 -13.650 -3.731 1.00 0.00 C ATOM 1079 O LEU S 66 -7.706 -13.285 -4.390 1.00 0.00 O ATOM 1080 CB LEU S 66 -8.811 -15.968 -2.688 1.00 0.00 C ATOM 1081 CG LEU S 66 -8.600 -16.857 -1.449 1.00 0.00 C ATOM 1082 CD1 LEU S 66 -9.250 -18.230 -1.656 1.00 0.00 C ATOM 1083 CD2 LEU S 66 -7.112 -17.015 -1.104 1.00 0.00 C ATOM 0 H LEU S 66 -8.628 -13.393 -0.684 1.00 0.00 H new ATOM 0 HA LEU S 66 -7.440 -14.453 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU S 66 -9.846 -16.059 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU S 66 -8.185 -16.338 -3.500 1.00 0.00 H new ATOM 0 HG LEU S 66 -9.081 -16.361 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU S 66 -9.091 -18.845 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU S 66 -10.320 -18.105 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU S 66 -8.802 -18.718 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU S 66 -7.008 -17.649 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU S 66 -6.590 -17.472 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU S 66 -6.680 -16.036 -0.898 1.00 0.00 H new ATOM 1095 N SER S 67 -9.954 -13.388 -4.043 1.00 0.00 N ATOM 1096 CA SER S 67 -10.298 -12.400 -5.053 1.00 0.00 C ATOM 1097 C SER S 67 -11.789 -12.035 -4.908 1.00 0.00 C ATOM 1098 O SER S 67 -12.150 -10.868 -4.869 1.00 0.00 O ATOM 1099 CB SER S 67 -9.951 -12.912 -6.469 1.00 0.00 C ATOM 1100 OG SER S 67 -9.993 -11.931 -7.491 1.00 0.00 O ATOM 0 H SER S 67 -10.754 -13.848 -3.609 1.00 0.00 H new ATOM 0 HA SER S 67 -9.707 -11.496 -4.904 1.00 0.00 H new ATOM 0 HB2 SER S 67 -8.952 -13.348 -6.446 1.00 0.00 H new ATOM 0 HB3 SER S 67 -10.643 -13.714 -6.728 1.00 0.00 H new ATOM 0 HG SER S 67 -9.759 -12.342 -8.349 1.00 0.00 H new ATOM 1106 N ARG S 68 -12.616 -13.107 -4.836 1.00 0.00 N ATOM 1107 CA ARG S 68 -14.081 -13.002 -4.763 1.00 0.00 C ATOM 1108 C ARG S 68 -14.677 -12.105 -5.871 1.00 0.00 C ATOM 1109 O ARG S 68 -15.055 -10.962 -5.662 1.00 0.00 O ATOM 1110 CB ARG S 68 -14.567 -12.564 -3.368 1.00 0.00 C ATOM 1111 CG ARG S 68 -14.640 -13.704 -2.339 1.00 0.00 C ATOM 1112 CD ARG S 68 -15.739 -14.738 -2.654 1.00 0.00 C ATOM 1113 NE ARG S 68 -15.197 -15.917 -3.329 1.00 0.00 N ATOM 1114 CZ ARG S 68 -14.624 -16.947 -2.663 1.00 0.00 C ATOM 1115 NH1 ARG S 68 -14.529 -16.915 -1.336 1.00 0.00 N ATOM 1116 NH2 ARG S 68 -14.160 -17.994 -3.341 1.00 0.00 N ATOM 0 H ARG S 68 -12.277 -14.069 -4.827 1.00 0.00 H new ATOM 0 HA ARG S 68 -14.456 -14.010 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG S 68 -13.899 -11.790 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG S 68 -15.555 -12.113 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG S 68 -13.675 -14.210 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG S 68 -14.821 -13.281 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG S 68 -16.229 -15.042 -1.729 1.00 0.00 H new ATOM 0 HD3 ARG S 68 -16.502 -14.278 -3.282 1.00 0.00 H new ATOM 0 HE ARG S 68 -15.253 -15.965 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG S 68 -14.888 -16.113 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG S 68 -14.097 -17.692 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG S 68 -14.237 -18.018 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG S 68 -13.727 -18.773 -2.844 1.00 0.00 H new ATOM 1130 N LEU S 69 -14.769 -12.742 -7.054 1.00 0.00 N ATOM 1131 CA LEU S 69 -15.352 -12.090 -8.222 1.00 0.00 C ATOM 1132 C LEU S 69 -16.897 -12.011 -8.112 1.00 0.00 C ATOM 1133 O LEU S 69 -17.477 -10.939 -8.234 1.00 0.00 O ATOM 1134 CB LEU S 69 -14.897 -12.739 -9.554 1.00 0.00 C ATOM 1135 CG LEU S 69 -13.639 -13.635 -9.498 1.00 0.00 C ATOM 1136 CD1 LEU S 69 -13.301 -14.162 -10.898 1.00 0.00 C ATOM 1137 CD2 LEU S 69 -12.420 -12.915 -8.905 1.00 0.00 C ATOM 0 H LEU S 69 -14.449 -13.697 -7.217 1.00 0.00 H new ATOM 0 HA LEU S 69 -14.972 -11.069 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU S 69 -15.723 -13.336 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU S 69 -14.715 -11.942 -10.275 1.00 0.00 H new ATOM 0 HG LEU S 69 -13.876 -14.467 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU S 69 -12.413 -14.792 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU S 69 -14.138 -14.747 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU S 69 -13.111 -13.322 -11.567 1.00 0.00 H new ATOM 0 HD21 LEU S 69 -11.567 -13.594 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU S 69 -12.180 -12.044 -9.514 1.00 0.00 H new ATOM 0 HD23 LEU S 69 -12.646 -12.595 -7.888 1.00 0.00 H new ATOM 1149 N PRO S 70 -17.572 -13.183 -7.900 1.00 0.00 N ATOM 1150 CA PRO S 70 -19.026 -13.188 -7.804 1.00 0.00 C ATOM 1151 C PRO S 70 -19.440 -12.814 -6.375 1.00 0.00 C ATOM 1152 O PRO S 70 -18.623 -12.737 -5.466 1.00 0.00 O ATOM 1153 CB PRO S 70 -19.406 -14.638 -8.120 1.00 0.00 C ATOM 1154 CG PRO S 70 -18.213 -15.459 -7.624 1.00 0.00 C ATOM 1155 CD PRO S 70 -17.001 -14.526 -7.742 1.00 0.00 C ATOM 0 HA PRO S 70 -19.513 -12.478 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO S 70 -20.326 -14.927 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO S 70 -19.572 -14.782 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO S 70 -18.360 -15.784 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO S 70 -18.077 -16.358 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO S 70 -16.369 -14.585 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO S 70 -16.378 -14.793 -8.596 1.00 0.00 H new ATOM 1163 N TYR S 71 -20.759 -12.590 -6.250 1.00 0.00 N ATOM 1164 CA TYR S 71 -21.319 -12.207 -4.958 1.00 0.00 C ATOM 1165 C TYR S 71 -22.794 -12.631 -4.864 1.00 0.00 C ATOM 1166 O TYR S 71 -23.251 -13.074 -3.821 1.00 0.00 O ATOM 1167 CB TYR S 71 -21.118 -10.700 -4.695 1.00 0.00 C ATOM 1168 CG TYR S 71 -21.696 -9.819 -5.773 1.00 0.00 C ATOM 1169 CD1 TYR S 71 -20.931 -9.447 -6.876 1.00 0.00 C ATOM 1170 CD2 TYR S 71 -23.008 -9.366 -5.680 1.00 0.00 C ATOM 1171 CE1 TYR S 71 -21.473 -8.650 -7.877 1.00 0.00 C ATOM 1172 CE2 TYR S 71 -23.552 -8.572 -6.679 1.00 0.00 C ATOM 1173 CZ TYR S 71 -22.789 -8.213 -7.779 1.00 0.00 C ATOM 1174 OH TYR S 71 -23.364 -7.429 -8.758 1.00 0.00 O ATOM 0 H TYR S 71 -21.436 -12.666 -7.009 1.00 0.00 H new ATOM 0 HA TYR S 71 -20.782 -12.735 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR S 71 -21.577 -10.441 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR S 71 -20.052 -10.495 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR S 71 -19.907 -9.781 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR S 71 -23.608 -9.635 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR S 71 -20.873 -8.370 -8.730 1.00 0.00 H new ATOM 0 HE2 TYR S 71 -24.574 -8.232 -6.599 1.00 0.00 H new ATOM 0 HH TYR S 71 -24.291 -7.226 -8.512 1.00 0.00 H new ATOM 1184 N GLU S 72 -23.483 -12.483 -6.022 1.00 0.00 N ATOM 1185 CA GLU S 72 -24.925 -12.701 -6.135 1.00 0.00 C ATOM 1186 C GLU S 72 -25.669 -11.555 -5.394 1.00 0.00 C ATOM 1187 O GLU S 72 -25.618 -11.460 -4.177 1.00 0.00 O ATOM 1188 CB GLU S 72 -25.366 -14.122 -5.700 1.00 0.00 C ATOM 1189 CG GLU S 72 -26.859 -14.221 -5.342 1.00 0.00 C ATOM 1190 CD GLU S 72 -27.333 -15.670 -5.191 1.00 0.00 C ATOM 1191 OE1 GLU S 72 -28.207 -16.158 -5.838 1.00 0.00 O ATOM 1192 OE2 GLU S 72 -26.630 -16.344 -4.261 1.00 0.00 O ATOM 0 H GLU S 72 -23.042 -12.208 -6.900 1.00 0.00 H new ATOM 0 HA GLU S 72 -25.206 -12.663 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU S 72 -25.147 -14.824 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU S 72 -24.773 -14.430 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU S 72 -27.042 -13.684 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU S 72 -27.448 -13.729 -6.116 1.00 0.00 H new ATOM 1200 N PRO S 73 -26.385 -10.671 -6.153 1.00 0.00 N ATOM 1201 CA PRO S 73 -27.087 -9.541 -5.529 1.00 0.00 C ATOM 1202 C PRO S 73 -28.101 -9.837 -4.399 1.00 0.00 C ATOM 1203 O PRO S 73 -28.530 -8.936 -3.690 1.00 0.00 O ATOM 1204 CB PRO S 73 -27.832 -8.880 -6.704 1.00 0.00 C ATOM 1205 CG PRO S 73 -27.082 -9.308 -7.966 1.00 0.00 C ATOM 1206 CD PRO S 73 -26.459 -10.660 -7.617 1.00 0.00 C ATOM 0 HA PRO S 73 -26.339 -8.940 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO S 73 -28.872 -9.203 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO S 73 -27.839 -7.795 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO S 73 -27.758 -9.393 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO S 73 -26.318 -8.580 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO S 73 -27.068 -11.484 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO S 73 -25.471 -10.767 -8.064 1.00 0.00 H new ATOM 1214 N LYS S 74 -28.477 -11.125 -4.285 1.00 0.00 N ATOM 1215 CA LYS S 74 -29.433 -11.578 -3.280 1.00 0.00 C ATOM 1216 C LYS S 74 -28.878 -12.872 -2.666 1.00 0.00 C ATOM 1217 O LYS S 74 -29.105 -13.964 -3.170 1.00 0.00 O ATOM 1218 CB LYS S 74 -30.811 -11.832 -3.934 1.00 0.00 C ATOM 1219 CG LYS S 74 -31.849 -10.725 -3.683 1.00 0.00 C ATOM 1220 CD LYS S 74 -31.522 -9.382 -4.359 1.00 0.00 C ATOM 1221 CE LYS S 74 -32.623 -8.871 -5.293 1.00 0.00 C ATOM 1222 NZ LYS S 74 -33.907 -8.671 -4.623 1.00 0.00 N ATOM 0 H LYS S 74 -28.124 -11.869 -4.887 1.00 0.00 H new ATOM 0 HA LYS S 74 -29.569 -10.822 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS S 74 -30.673 -11.947 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS S 74 -31.208 -12.776 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS S 74 -32.821 -11.069 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS S 74 -31.939 -10.565 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS S 74 -31.338 -8.634 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS S 74 -30.598 -9.488 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS S 74 -32.303 -7.929 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS S 74 -32.755 -9.581 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS S 74 -34.522 -8.082 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS S 74 -34.361 -9.592 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS S 74 -33.752 -8.196 -3.711 1.00 0.00 H new ATOM 1236 N LEU S 75 -28.146 -12.677 -1.560 1.00 0.00 N ATOM 1237 CA LEU S 75 -27.598 -13.793 -0.804 1.00 0.00 C ATOM 1238 C LEU S 75 -27.366 -13.273 0.611 1.00 0.00 C ATOM 1239 O LEU S 75 -26.634 -12.312 0.810 1.00 0.00 O ATOM 1240 CB LEU S 75 -26.289 -14.267 -1.460 1.00 0.00 C ATOM 1241 CG LEU S 75 -25.457 -15.273 -0.641 1.00 0.00 C ATOM 1242 CD1 LEU S 75 -26.282 -16.479 -0.167 1.00 0.00 C ATOM 1243 CD2 LEU S 75 -24.245 -15.734 -1.461 1.00 0.00 C ATOM 0 H LEU S 75 -27.925 -11.758 -1.177 1.00 0.00 H new ATOM 0 HA LEU S 75 -28.270 -14.651 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU S 75 -26.529 -14.720 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU S 75 -25.670 -13.394 -1.665 1.00 0.00 H new ATOM 0 HG LEU S 75 -25.116 -14.759 0.258 1.00 0.00 H new ATOM 0 HD11 LEU S 75 -25.645 -17.154 0.404 1.00 0.00 H new ATOM 0 HD12 LEU S 75 -27.102 -16.134 0.463 1.00 0.00 H new ATOM 0 HD13 LEU S 75 -26.686 -17.006 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU S 75 -23.660 -16.445 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU S 75 -24.587 -16.212 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU S 75 -23.625 -14.873 -1.710 1.00 0.00 H new ATOM 1255 N LYS S 76 -28.059 -13.937 1.551 1.00 0.00 N ATOM 1256 CA LYS S 76 -27.940 -13.655 2.970 1.00 0.00 C ATOM 1257 C LYS S 76 -28.120 -14.985 3.720 1.00 0.00 C ATOM 1258 O LYS S 76 -28.523 -15.964 3.089 1.00 0.00 O ATOM 1259 CB LYS S 76 -29.016 -12.660 3.443 1.00 0.00 C ATOM 1260 CG LYS S 76 -29.095 -11.358 2.626 1.00 0.00 C ATOM 1261 CD LYS S 76 -29.453 -10.143 3.486 1.00 0.00 C ATOM 1262 CE LYS S 76 -30.810 -10.254 4.193 1.00 0.00 C ATOM 1263 NZ LYS S 76 -30.787 -9.579 5.490 1.00 0.00 N ATOM 1264 OXT LYS S 76 -27.868 -15.019 4.922 1.00 0.00 O ATOM 0 H LYS S 76 -28.717 -14.686 1.335 1.00 0.00 H new ATOM 0 HA LYS S 76 -26.966 -13.207 3.168 1.00 0.00 H new ATOM 0 HB2 LYS S 76 -29.987 -13.153 3.409 1.00 0.00 H new ATOM 0 HB3 LYS S 76 -28.824 -12.407 4.486 1.00 0.00 H new ATOM 0 HG2 LYS S 76 -28.137 -11.182 2.136 1.00 0.00 H new ATOM 0 HG3 LYS S 76 -29.839 -11.473 1.838 1.00 0.00 H new ATOM 0 HD2 LYS S 76 -28.675 -10.000 4.236 1.00 0.00 H new ATOM 0 HD3 LYS S 76 -29.455 -9.253 2.856 1.00 0.00 H new ATOM 0 HE2 LYS S 76 -31.587 -9.816 3.566 1.00 0.00 H new ATOM 0 HE3 LYS S 76 -31.066 -11.304 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS S 76 -31.718 -9.670 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS S 76 -30.061 -10.014 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS S 76 -30.566 -8.572 5.353 1.00 0.00 H new TER 1278 LYS S 76