USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 497 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 Set 1.1: A 36 MET CE :methyl 173:sc= -1.37 (180deg=-1.42) USER MOD Set 1.2: A 72 MET CE :methyl -116:sc= -0.517 (180deg=-0.0314) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.34 K(o=-2.4,f=-17!) USER MOD Set 2.2: A 26 SER OG : rot -50:sc= -0.0141 USER MOD Set 3.1: A 5 THR OG1 : rot 33:sc= 0.818 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.5 X(o=0.32,f=0.66) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -0.919 (180deg=-2.05!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -4.89! C(o=-5.8!,f=-4.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 96:sc= -0.327 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 72:sc= 0.725 USER MOD Single : A 42 SER OG : rot -43:sc= -1.32! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 52 MET CE :methyl -169:sc= -5.07! (180deg=-5.54!) USER MOD Single : A 53 ASN : amide:sc= -0.288 K(o=-0.29,f=-3.2!) USER MOD Single : A 60 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.2!) USER MOD Single : A 61 HIS : no HE2:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= -0.0448 X(o=-0.045,f=-0.24) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.362 -7.736 -14.321 1.00 0.00 N ATOM 59 CA THR A 5 -11.365 -8.836 -14.238 1.00 0.00 C ATOM 60 C THR A 5 -11.252 -9.554 -12.890 1.00 0.00 C ATOM 61 O THR A 5 -10.590 -9.091 -11.983 1.00 0.00 O ATOM 62 CB THR A 5 -11.010 -9.784 -15.383 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.200 -9.100 -16.330 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.290 -10.270 -16.063 1.00 0.00 C ATOM 0 HA THR A 5 -12.388 -8.469 -14.317 1.00 0.00 H new ATOM 0 HB THR A 5 -10.464 -10.640 -14.988 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.641 -8.441 -15.867 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.034 -10.946 -16.879 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.910 -10.796 -15.337 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.839 -9.415 -16.458 1.00 0.00 H new ATOM 72 N GLU A 6 -11.894 -10.683 -12.754 1.00 0.00 N ATOM 73 CA GLU A 6 -11.823 -11.429 -11.465 1.00 0.00 C ATOM 74 C GLU A 6 -10.377 -11.839 -11.170 1.00 0.00 C ATOM 75 O GLU A 6 -9.740 -11.307 -10.284 1.00 0.00 O ATOM 76 CB GLU A 6 -12.699 -12.665 -11.675 1.00 0.00 C ATOM 77 CG GLU A 6 -14.082 -12.420 -11.067 1.00 0.00 C ATOM 78 CD GLU A 6 -14.555 -13.685 -10.350 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.600 -14.723 -10.989 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.865 -13.594 -9.173 1.00 0.00 O ATOM 0 H GLU A 6 -12.464 -11.120 -13.478 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.161 -10.828 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.791 -12.882 -12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.235 -13.536 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.040 -11.586 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.791 -12.145 -11.848 1.00 0.00 H new ATOM 87 N GLU A 7 -9.857 -12.782 -11.907 1.00 0.00 N ATOM 88 CA GLU A 7 -8.453 -13.226 -11.668 1.00 0.00 C ATOM 89 C GLU A 7 -7.538 -12.011 -11.492 1.00 0.00 C ATOM 90 O GLU A 7 -6.695 -11.980 -10.618 1.00 0.00 O ATOM 91 CB GLU A 7 -8.067 -14.012 -12.921 1.00 0.00 C ATOM 92 CG GLU A 7 -8.210 -15.511 -12.648 1.00 0.00 C ATOM 93 CD GLU A 7 -6.842 -16.097 -12.293 1.00 0.00 C ATOM 94 OE1 GLU A 7 -5.894 -15.810 -13.004 1.00 0.00 O ATOM 95 OE2 GLU A 7 -6.767 -16.823 -11.315 1.00 0.00 O ATOM 0 H GLU A 7 -10.342 -13.264 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.358 -13.829 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.704 -13.721 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.041 -13.780 -13.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.912 -15.677 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.617 -16.014 -13.525 1.00 0.00 H new ATOM 102 N GLN A 8 -7.697 -11.011 -12.315 1.00 0.00 N ATOM 103 CA GLN A 8 -6.834 -9.801 -12.189 1.00 0.00 C ATOM 104 C GLN A 8 -6.882 -9.272 -10.753 1.00 0.00 C ATOM 105 O GLN A 8 -5.895 -9.283 -10.044 1.00 0.00 O ATOM 106 CB GLN A 8 -7.433 -8.781 -13.158 1.00 0.00 C ATOM 107 CG GLN A 8 -6.313 -7.936 -13.765 1.00 0.00 C ATOM 108 CD GLN A 8 -6.547 -7.779 -15.269 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.454 -6.691 -15.800 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.850 -8.829 -15.982 1.00 0.00 N ATOM 0 H GLN A 8 -8.385 -10.979 -13.067 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.789 -10.011 -12.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.985 -9.293 -13.946 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.144 -8.141 -12.635 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.283 -6.957 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.348 -8.409 -13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.928 -9.743 -15.536 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.009 -8.736 -16.985 1.00 0.00 H new ATOM 119 N ILE A 9 -8.023 -8.810 -10.319 1.00 0.00 N ATOM 120 CA ILE A 9 -8.130 -8.285 -8.928 1.00 0.00 C ATOM 121 C ILE A 9 -7.474 -9.262 -7.949 1.00 0.00 C ATOM 122 O ILE A 9 -6.867 -8.867 -6.974 1.00 0.00 O ATOM 123 CB ILE A 9 -9.632 -8.183 -8.658 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.255 -7.174 -9.625 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.861 -7.718 -7.219 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.742 -7.013 -9.305 1.00 0.00 C ATOM 0 H ILE A 9 -8.883 -8.773 -10.866 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.629 -7.325 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.095 -9.159 -8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.748 -6.213 -9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.128 -7.513 -10.653 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.931 -7.645 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.416 -8.436 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.399 -6.741 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.187 -6.294 -9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.243 -7.975 -9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.857 -6.655 -8.282 1.00 0.00 H new ATOM 138 N ALA A 10 -7.591 -10.536 -8.207 1.00 0.00 N ATOM 139 CA ALA A 10 -6.974 -11.541 -7.295 1.00 0.00 C ATOM 140 C ALA A 10 -5.451 -11.385 -7.293 1.00 0.00 C ATOM 141 O ALA A 10 -4.831 -11.259 -6.256 1.00 0.00 O ATOM 142 CB ALA A 10 -7.374 -12.898 -7.875 1.00 0.00 C ATOM 0 H ALA A 10 -8.087 -10.924 -9.009 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.307 -11.425 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.957 -13.694 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.461 -12.981 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.990 -12.987 -8.891 1.00 0.00 H new ATOM 148 N GLU A 11 -4.844 -11.392 -8.448 1.00 0.00 N ATOM 149 CA GLU A 11 -3.362 -11.243 -8.512 1.00 0.00 C ATOM 150 C GLU A 11 -2.933 -9.953 -7.807 1.00 0.00 C ATOM 151 O GLU A 11 -1.875 -9.879 -7.215 1.00 0.00 O ATOM 152 CB GLU A 11 -3.033 -11.173 -10.004 1.00 0.00 C ATOM 153 CG GLU A 11 -2.494 -12.526 -10.471 1.00 0.00 C ATOM 154 CD GLU A 11 -1.036 -12.675 -10.032 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.500 -11.719 -9.496 1.00 0.00 O ATOM 156 OE2 GLU A 11 -0.481 -13.741 -10.238 1.00 0.00 O ATOM 0 H GLU A 11 -5.310 -11.494 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.842 -12.065 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.925 -10.909 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.295 -10.392 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.095 -13.333 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.568 -12.604 -11.556 1.00 0.00 H new ATOM 163 N PHE A 12 -3.749 -8.936 -7.863 1.00 0.00 N ATOM 164 CA PHE A 12 -3.389 -7.653 -7.195 1.00 0.00 C ATOM 165 C PHE A 12 -3.390 -7.836 -5.676 1.00 0.00 C ATOM 166 O PHE A 12 -2.483 -7.410 -4.989 1.00 0.00 O ATOM 167 CB PHE A 12 -4.478 -6.665 -7.617 1.00 0.00 C ATOM 168 CG PHE A 12 -4.177 -6.144 -9.001 1.00 0.00 C ATOM 169 CD1 PHE A 12 -4.049 -7.034 -10.075 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.030 -4.767 -9.214 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.774 -6.550 -11.358 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.754 -4.282 -10.497 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.625 -5.174 -11.570 1.00 0.00 C ATOM 0 H PHE A 12 -4.649 -8.938 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.395 -7.304 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.452 -7.154 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.528 -5.838 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.163 -8.096 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.130 -4.079 -8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.677 -7.238 -12.185 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.640 -3.220 -10.660 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.411 -4.800 -12.560 1.00 0.00 H new ATOM 183 N LYS A 13 -4.402 -8.468 -5.146 1.00 0.00 N ATOM 184 CA LYS A 13 -4.458 -8.680 -3.671 1.00 0.00 C ATOM 185 C LYS A 13 -3.189 -9.389 -3.194 1.00 0.00 C ATOM 186 O LYS A 13 -2.466 -8.890 -2.354 1.00 0.00 O ATOM 187 CB LYS A 13 -5.685 -9.564 -3.444 1.00 0.00 C ATOM 188 CG LYS A 13 -6.784 -8.749 -2.760 1.00 0.00 C ATOM 189 CD LYS A 13 -7.597 -9.660 -1.839 1.00 0.00 C ATOM 190 CE LYS A 13 -7.004 -9.623 -0.429 1.00 0.00 C ATOM 191 NZ LYS A 13 -5.892 -10.614 -0.454 1.00 0.00 N ATOM 0 H LYS A 13 -5.191 -8.846 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.525 -7.742 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.046 -9.954 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.418 -10.423 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.343 -7.934 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.435 -8.296 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.637 -9.336 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.590 -10.681 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.639 -8.626 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.751 -9.886 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.727 -10.975 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.145 -11.403 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.027 -10.156 -0.804 1.00 0.00 H new ATOM 205 N GLU A 14 -2.911 -10.548 -3.725 1.00 0.00 N ATOM 206 CA GLU A 14 -1.686 -11.285 -3.304 1.00 0.00 C ATOM 207 C GLU A 14 -0.477 -10.346 -3.324 1.00 0.00 C ATOM 208 O GLU A 14 0.307 -10.308 -2.396 1.00 0.00 O ATOM 209 CB GLU A 14 -1.518 -12.400 -4.336 1.00 0.00 C ATOM 210 CG GLU A 14 -1.708 -13.758 -3.658 1.00 0.00 C ATOM 211 CD GLU A 14 -0.883 -14.815 -4.395 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.291 -14.573 -4.619 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.441 -15.850 -4.722 1.00 0.00 O ATOM 0 H GLU A 14 -3.479 -11.016 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.767 -11.680 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.244 -12.278 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.528 -12.344 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.398 -13.702 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.762 -14.035 -3.663 1.00 0.00 H new ATOM 220 N ALA A 15 -0.323 -9.587 -4.374 1.00 0.00 N ATOM 221 CA ALA A 15 0.833 -8.648 -4.453 1.00 0.00 C ATOM 222 C ALA A 15 0.777 -7.644 -3.299 1.00 0.00 C ATOM 223 O ALA A 15 1.566 -7.697 -2.378 1.00 0.00 O ATOM 224 CB ALA A 15 0.671 -7.934 -5.796 1.00 0.00 C ATOM 0 H ALA A 15 -0.947 -9.576 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 15 1.791 -9.163 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.486 -7.223 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.692 -8.667 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.281 -7.403 -5.813 1.00 0.00 H new ATOM 230 N PHE A 16 -0.153 -6.730 -3.343 1.00 0.00 N ATOM 231 CA PHE A 16 -0.265 -5.722 -2.250 1.00 0.00 C ATOM 232 C PHE A 16 -0.067 -6.391 -0.886 1.00 0.00 C ATOM 233 O PHE A 16 0.725 -5.950 -0.076 1.00 0.00 O ATOM 234 CB PHE A 16 -1.683 -5.168 -2.374 1.00 0.00 C ATOM 235 CG PHE A 16 -1.868 -4.024 -1.406 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.502 -2.725 -1.777 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.408 -4.264 -0.137 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.676 -1.665 -0.879 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.584 -3.205 0.761 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.218 -1.905 0.390 1.00 0.00 C ATOM 0 H PHE A 16 -0.842 -6.637 -4.090 1.00 0.00 H new ATOM 0 HA PHE A 16 0.490 -4.940 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.863 -4.827 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.410 -5.953 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.085 -2.540 -2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.689 -5.267 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.392 -0.663 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.002 -3.390 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.354 -1.087 1.083 1.00 0.00 H new ATOM 250 N ALA A 17 -0.783 -7.449 -0.625 1.00 0.00 N ATOM 251 CA ALA A 17 -0.642 -8.144 0.687 1.00 0.00 C ATOM 252 C ALA A 17 0.738 -8.798 0.805 1.00 0.00 C ATOM 253 O ALA A 17 1.284 -8.925 1.883 1.00 0.00 O ATOM 254 CB ALA A 17 -1.740 -9.206 0.692 1.00 0.00 C ATOM 0 H ALA A 17 -1.461 -7.864 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.734 -7.455 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.703 -9.763 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.713 -8.724 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.589 -9.890 -0.143 1.00 0.00 H new ATOM 260 N LEU A 18 1.307 -9.219 -0.293 1.00 0.00 N ATOM 261 CA LEU A 18 2.649 -9.867 -0.232 1.00 0.00 C ATOM 262 C LEU A 18 3.631 -8.990 0.548 1.00 0.00 C ATOM 263 O LEU A 18 4.645 -9.456 1.029 1.00 0.00 O ATOM 264 CB LEU A 18 3.092 -10.004 -1.689 1.00 0.00 C ATOM 265 CG LEU A 18 3.400 -11.471 -1.993 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.481 -11.674 -3.507 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.739 -11.853 -1.357 1.00 0.00 C ATOM 0 H LEU A 18 0.902 -9.143 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 18 2.616 -10.831 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.309 -9.641 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.975 -9.391 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 18 2.609 -12.099 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.701 -12.720 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.529 -11.402 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.272 -11.045 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.959 -12.898 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.529 -11.223 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.683 -11.710 -0.278 1.00 0.00 H new ATOM 279 N PHE A 19 3.342 -7.724 0.682 1.00 0.00 N ATOM 280 CA PHE A 19 4.265 -6.826 1.435 1.00 0.00 C ATOM 281 C PHE A 19 3.514 -6.124 2.570 1.00 0.00 C ATOM 282 O PHE A 19 4.011 -5.195 3.174 1.00 0.00 O ATOM 283 CB PHE A 19 4.756 -5.805 0.408 1.00 0.00 C ATOM 284 CG PHE A 19 5.147 -6.513 -0.866 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.176 -6.805 -1.829 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.482 -6.877 -1.085 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.537 -7.460 -3.012 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.843 -7.532 -2.269 1.00 0.00 C ATOM 289 CZ PHE A 19 5.870 -7.824 -3.232 1.00 0.00 C ATOM 0 H PHE A 19 2.509 -7.273 0.304 1.00 0.00 H new ATOM 0 HA PHE A 19 5.090 -7.374 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.973 -5.075 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.609 -5.255 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.147 -6.525 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.232 -6.653 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.786 -7.685 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.872 -7.812 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.148 -8.330 -4.145 1.00 0.00 H new ATOM 299 N ASP A 20 2.321 -6.562 2.867 1.00 0.00 N ATOM 300 CA ASP A 20 1.542 -5.919 3.963 1.00 0.00 C ATOM 301 C ASP A 20 2.193 -6.212 5.317 1.00 0.00 C ATOM 302 O ASP A 20 1.830 -7.147 6.002 1.00 0.00 O ATOM 303 CB ASP A 20 0.152 -6.552 3.888 1.00 0.00 C ATOM 304 CG ASP A 20 0.268 -8.064 4.086 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.385 -8.544 4.185 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.762 -8.716 4.134 1.00 0.00 O ATOM 0 H ASP A 20 1.852 -7.337 2.398 1.00 0.00 H new ATOM 0 HA ASP A 20 1.501 -4.835 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.496 -6.123 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.306 -6.335 2.923 1.00 0.00 H new ATOM 311 N LYS A 21 3.154 -5.419 5.708 1.00 0.00 N ATOM 312 CA LYS A 21 3.828 -5.654 7.017 1.00 0.00 C ATOM 313 C LYS A 21 2.806 -5.592 8.156 1.00 0.00 C ATOM 314 O LYS A 21 2.951 -6.244 9.170 1.00 0.00 O ATOM 315 CB LYS A 21 4.845 -4.520 7.147 1.00 0.00 C ATOM 316 CG LYS A 21 5.550 -4.618 8.502 1.00 0.00 C ATOM 317 CD LYS A 21 7.065 -4.555 8.296 1.00 0.00 C ATOM 318 CE LYS A 21 7.560 -5.890 7.735 1.00 0.00 C ATOM 319 NZ LYS A 21 9.027 -5.894 7.994 1.00 0.00 N ATOM 0 H LYS A 21 3.501 -4.620 5.178 1.00 0.00 H new ATOM 0 HA LYS A 21 4.302 -6.634 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.576 -4.578 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.344 -3.556 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.227 -3.805 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.278 -5.550 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.316 -3.745 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.563 -4.339 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.070 -6.731 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.347 -5.974 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.440 -6.779 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.467 -5.086 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.199 -5.819 9.017 1.00 0.00 H new ATOM 333 N ASP A 22 1.773 -4.810 7.996 1.00 0.00 N ATOM 334 CA ASP A 22 0.743 -4.707 9.071 1.00 0.00 C ATOM 335 C ASP A 22 -0.240 -5.877 8.976 1.00 0.00 C ATOM 336 O ASP A 22 -1.181 -5.970 9.740 1.00 0.00 O ATOM 337 CB ASP A 22 0.027 -3.383 8.806 1.00 0.00 C ATOM 338 CG ASP A 22 1.058 -2.259 8.686 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.382 -1.668 9.703 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.506 -2.009 7.579 1.00 0.00 O ATOM 0 H ASP A 22 1.597 -4.239 7.169 1.00 0.00 H new ATOM 0 HA ASP A 22 1.182 -4.742 10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.560 -3.452 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.670 -3.166 9.615 1.00 0.00 H new ATOM 345 N ASN A 23 -0.027 -6.770 8.045 1.00 0.00 N ATOM 346 CA ASN A 23 -0.944 -7.938 7.893 1.00 0.00 C ATOM 347 C ASN A 23 -2.399 -7.511 8.109 1.00 0.00 C ATOM 348 O ASN A 23 -3.215 -8.271 8.589 1.00 0.00 O ATOM 349 CB ASN A 23 -0.506 -8.934 8.971 1.00 0.00 C ATOM 350 CG ASN A 23 -0.987 -8.454 10.342 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.138 -7.894 11.159 1.00 0.00 O flip ATOM 352 ND2 ASN A 23 -2.148 -8.591 10.674 1.00 0.00 N flip ATOM 0 H ASN A 23 0.746 -6.740 7.381 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.892 -8.372 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.916 -9.921 8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.580 -9.032 8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.813 -9.029 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.458 -8.268 11.591 1.00 0.00 H new ATOM 359 N ASN A 24 -2.729 -6.297 7.757 1.00 0.00 N ATOM 360 CA ASN A 24 -4.130 -5.821 7.943 1.00 0.00 C ATOM 361 C ASN A 24 -4.721 -5.382 6.600 1.00 0.00 C ATOM 362 O ASN A 24 -5.896 -5.095 6.493 1.00 0.00 O ATOM 363 CB ASN A 24 -4.020 -4.631 8.896 1.00 0.00 C ATOM 364 CG ASN A 24 -3.163 -3.538 8.252 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.650 -3.714 7.164 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.985 -2.409 8.882 1.00 0.00 N ATOM 0 H ASN A 24 -2.089 -5.615 7.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.783 -6.600 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.012 -4.242 9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.576 -4.947 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.416 -1.675 8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.415 -2.261 9.795 1.00 0.00 H new ATOM 373 N GLY A 25 -3.915 -5.328 5.576 1.00 0.00 N ATOM 374 CA GLY A 25 -4.430 -4.908 4.242 1.00 0.00 C ATOM 375 C GLY A 25 -3.890 -3.518 3.900 1.00 0.00 C ATOM 376 O GLY A 25 -4.512 -2.759 3.184 1.00 0.00 O ATOM 0 H GLY A 25 -2.921 -5.557 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.125 -5.626 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.520 -4.895 4.249 1.00 0.00 H new ATOM 380 N SER A 26 -2.736 -3.179 4.405 1.00 0.00 N ATOM 381 CA SER A 26 -2.158 -1.838 4.108 1.00 0.00 C ATOM 382 C SER A 26 -0.640 -1.944 3.932 1.00 0.00 C ATOM 383 O SER A 26 0.020 -2.708 4.609 1.00 0.00 O ATOM 384 CB SER A 26 -2.499 -0.979 5.324 1.00 0.00 C ATOM 385 OG SER A 26 -1.959 -1.585 6.492 1.00 0.00 O ATOM 0 H SER A 26 -2.168 -3.772 5.010 1.00 0.00 H new ATOM 0 HA SER A 26 -2.555 -1.412 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.093 0.025 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.580 -0.876 5.420 1.00 0.00 H new ATOM 0 HG SER A 26 -2.211 -2.532 6.516 1.00 0.00 H new ATOM 391 N ILE A 27 -0.084 -1.185 3.029 1.00 0.00 N ATOM 392 CA ILE A 27 1.390 -1.244 2.811 1.00 0.00 C ATOM 393 C ILE A 27 1.963 0.170 2.685 1.00 0.00 C ATOM 394 O ILE A 27 1.288 1.088 2.262 1.00 0.00 O ATOM 395 CB ILE A 27 1.565 -2.011 1.500 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.163 -1.113 0.327 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.679 -3.257 1.515 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.427 -1.842 -0.992 1.00 0.00 C ATOM 0 H ILE A 27 -0.585 -0.527 2.433 1.00 0.00 H new ATOM 0 HA ILE A 27 1.911 -1.725 3.639 1.00 0.00 H new ATOM 0 HB ILE A 27 2.608 -2.309 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.108 -0.849 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.728 -0.182 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.804 -3.804 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.965 -3.896 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.364 -2.960 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.140 -1.201 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.487 -2.084 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.842 -2.761 -1.023 1.00 0.00 H new ATOM 410 N SER A 28 3.205 0.353 3.040 1.00 0.00 N ATOM 411 CA SER A 28 3.817 1.706 2.932 1.00 0.00 C ATOM 412 C SER A 28 4.086 2.041 1.463 1.00 0.00 C ATOM 413 O SER A 28 4.200 1.164 0.629 1.00 0.00 O ATOM 414 CB SER A 28 5.128 1.612 3.711 1.00 0.00 C ATOM 415 OG SER A 28 5.361 2.842 4.388 1.00 0.00 O ATOM 0 H SER A 28 3.822 -0.376 3.400 1.00 0.00 H new ATOM 0 HA SER A 28 3.168 2.489 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.081 0.792 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.953 1.395 3.032 1.00 0.00 H new ATOM 0 HG SER A 28 6.200 2.785 4.890 1.00 0.00 H new ATOM 421 N SER A 29 4.189 3.299 1.136 1.00 0.00 N ATOM 422 CA SER A 29 4.448 3.680 -0.282 1.00 0.00 C ATOM 423 C SER A 29 5.635 2.885 -0.833 1.00 0.00 C ATOM 424 O SER A 29 5.592 2.368 -1.931 1.00 0.00 O ATOM 425 CB SER A 29 4.775 5.172 -0.239 1.00 0.00 C ATOM 426 OG SER A 29 6.182 5.348 -0.321 1.00 0.00 O ATOM 0 H SER A 29 4.105 4.079 1.788 1.00 0.00 H new ATOM 0 HA SER A 29 3.596 3.469 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.284 5.687 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.395 5.613 0.683 1.00 0.00 H new ATOM 0 HG SER A 29 6.437 5.519 -1.252 1.00 0.00 H new ATOM 432 N SER A 30 6.696 2.783 -0.078 1.00 0.00 N ATOM 433 CA SER A 30 7.882 2.021 -0.560 1.00 0.00 C ATOM 434 C SER A 30 7.475 0.593 -0.934 1.00 0.00 C ATOM 435 O SER A 30 8.131 -0.066 -1.717 1.00 0.00 O ATOM 436 CB SER A 30 8.853 2.010 0.619 1.00 0.00 C ATOM 437 OG SER A 30 10.046 1.337 0.240 1.00 0.00 O ATOM 0 H SER A 30 6.792 3.194 0.850 1.00 0.00 H new ATOM 0 HA SER A 30 8.327 2.468 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.080 3.031 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.398 1.512 1.475 1.00 0.00 H new ATOM 0 HG SER A 30 10.671 1.330 0.994 1.00 0.00 H new ATOM 443 N GLU A 31 6.396 0.111 -0.381 1.00 0.00 N ATOM 444 CA GLU A 31 5.946 -1.273 -0.705 1.00 0.00 C ATOM 445 C GLU A 31 5.060 -1.263 -1.954 1.00 0.00 C ATOM 446 O GLU A 31 5.069 -2.188 -2.742 1.00 0.00 O ATOM 447 CB GLU A 31 5.146 -1.726 0.517 1.00 0.00 C ATOM 448 CG GLU A 31 5.916 -1.374 1.791 1.00 0.00 C ATOM 449 CD GLU A 31 7.350 -1.897 1.682 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.546 -2.892 1.005 1.00 0.00 O ATOM 451 OE2 GLU A 31 8.227 -1.294 2.278 1.00 0.00 O ATOM 0 H GLU A 31 5.806 0.615 0.281 1.00 0.00 H new ATOM 0 HA GLU A 31 6.782 -1.940 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.169 -1.243 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.970 -2.801 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.922 -0.294 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.423 -1.812 2.659 1.00 0.00 H new ATOM 458 N LEU A 32 4.294 -0.222 -2.141 1.00 0.00 N ATOM 459 CA LEU A 32 3.410 -0.154 -3.339 1.00 0.00 C ATOM 460 C LEU A 32 4.248 -0.245 -4.616 1.00 0.00 C ATOM 461 O LEU A 32 3.841 -0.835 -5.598 1.00 0.00 O ATOM 462 CB LEU A 32 2.715 1.204 -3.247 1.00 0.00 C ATOM 463 CG LEU A 32 1.952 1.475 -4.545 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.913 0.375 -4.764 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.248 2.829 -4.447 1.00 0.00 C ATOM 0 H LEU A 32 4.242 0.583 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 32 2.692 -0.974 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.029 1.217 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.450 1.990 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 32 2.650 1.487 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.369 0.567 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.414 -0.591 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.214 0.363 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.704 3.024 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.550 2.816 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.988 3.613 -4.290 1.00 0.00 H new ATOM 477 N ALA A 33 5.419 0.330 -4.613 1.00 0.00 N ATOM 478 CA ALA A 33 6.281 0.269 -5.827 1.00 0.00 C ATOM 479 C ALA A 33 6.555 -1.190 -6.194 1.00 0.00 C ATOM 480 O ALA A 33 6.475 -1.578 -7.343 1.00 0.00 O ATOM 481 CB ALA A 33 7.576 0.978 -5.432 1.00 0.00 C ATOM 0 H ALA A 33 5.816 0.839 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 33 5.815 0.737 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.265 0.975 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.355 2.007 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.033 0.459 -4.589 1.00 0.00 H new ATOM 487 N THR A 34 6.871 -2.004 -5.224 1.00 0.00 N ATOM 488 CA THR A 34 7.143 -3.439 -5.517 1.00 0.00 C ATOM 489 C THR A 34 5.879 -4.107 -6.063 1.00 0.00 C ATOM 490 O THR A 34 5.835 -4.539 -7.198 1.00 0.00 O ATOM 491 CB THR A 34 7.537 -4.054 -4.174 1.00 0.00 C ATOM 492 OG1 THR A 34 8.774 -3.502 -3.745 1.00 0.00 O ATOM 493 CG2 THR A 34 7.677 -5.568 -4.330 1.00 0.00 C ATOM 0 H THR A 34 6.952 -1.737 -4.243 1.00 0.00 H new ATOM 0 HA THR A 34 7.925 -3.569 -6.265 1.00 0.00 H new ATOM 0 HB THR A 34 6.768 -3.836 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.026 -3.895 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.958 -6.008 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.727 -5.989 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.446 -5.788 -5.070 1.00 0.00 H new ATOM 501 N VAL A 35 4.848 -4.190 -5.265 1.00 0.00 N ATOM 502 CA VAL A 35 3.587 -4.825 -5.746 1.00 0.00 C ATOM 503 C VAL A 35 3.269 -4.334 -7.161 1.00 0.00 C ATOM 504 O VAL A 35 2.762 -5.067 -7.989 1.00 0.00 O ATOM 505 CB VAL A 35 2.508 -4.362 -4.766 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.827 -4.889 -3.368 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.469 -2.833 -4.735 1.00 0.00 C ATOM 0 H VAL A 35 4.824 -3.847 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 35 3.657 -5.912 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 35 1.539 -4.745 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.058 -4.559 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.855 -5.978 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.796 -4.507 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.700 -2.503 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.438 -2.451 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.241 -2.455 -5.731 1.00 0.00 H new ATOM 517 N MET A 36 3.567 -3.094 -7.440 1.00 0.00 N ATOM 518 CA MET A 36 3.287 -2.539 -8.795 1.00 0.00 C ATOM 519 C MET A 36 4.018 -3.351 -9.868 1.00 0.00 C ATOM 520 O MET A 36 3.406 -3.931 -10.744 1.00 0.00 O ATOM 521 CB MET A 36 3.821 -1.105 -8.747 1.00 0.00 C ATOM 522 CG MET A 36 3.271 -0.313 -9.934 1.00 0.00 C ATOM 523 SD MET A 36 1.462 -0.308 -9.871 1.00 0.00 S ATOM 524 CE MET A 36 1.283 0.972 -8.605 1.00 0.00 C ATOM 0 H MET A 36 3.994 -2.439 -6.785 1.00 0.00 H new ATOM 0 HA MET A 36 2.227 -2.575 -9.046 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.528 -0.628 -7.812 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.911 -1.111 -8.774 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.649 0.709 -9.909 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.612 -0.756 -10.870 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.230 1.229 -8.494 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.668 0.601 -7.655 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.843 1.858 -8.902 1.00 0.00 H new ATOM 534 N ARG A 37 5.321 -3.397 -9.811 1.00 0.00 N ATOM 535 CA ARG A 37 6.085 -4.171 -10.834 1.00 0.00 C ATOM 536 C ARG A 37 5.855 -5.674 -10.644 1.00 0.00 C ATOM 537 O ARG A 37 6.082 -6.464 -11.540 1.00 0.00 O ATOM 538 CB ARG A 37 7.551 -3.817 -10.584 1.00 0.00 C ATOM 539 CG ARG A 37 8.409 -4.356 -11.730 1.00 0.00 C ATOM 540 CD ARG A 37 9.797 -4.725 -11.201 1.00 0.00 C ATOM 541 NE ARG A 37 10.252 -5.847 -12.068 1.00 0.00 N ATOM 542 CZ ARG A 37 11.229 -5.661 -12.914 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.410 -5.316 -12.482 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.023 -5.822 -14.193 1.00 0.00 N ATOM 0 H ARG A 37 5.890 -2.934 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 37 5.774 -3.930 -11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.667 -2.736 -10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.882 -4.242 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.933 -5.231 -12.174 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.496 -3.607 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.480 -3.878 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.754 -5.027 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 37 9.801 -6.759 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.571 -5.191 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.173 -5.171 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.099 -6.093 -14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.786 -5.677 -14.855 1.00 0.00 H new ATOM 558 N SER A 38 5.411 -6.075 -9.485 1.00 0.00 N ATOM 559 CA SER A 38 5.172 -7.526 -9.239 1.00 0.00 C ATOM 560 C SER A 38 4.001 -8.028 -10.088 1.00 0.00 C ATOM 561 O SER A 38 3.987 -9.157 -10.535 1.00 0.00 O ATOM 562 CB SER A 38 4.835 -7.624 -7.751 1.00 0.00 C ATOM 563 OG SER A 38 5.998 -7.334 -6.986 1.00 0.00 O ATOM 0 H SER A 38 5.203 -5.461 -8.697 1.00 0.00 H new ATOM 0 HA SER A 38 6.036 -8.135 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.037 -6.925 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.470 -8.623 -7.514 1.00 0.00 H new ATOM 0 HG SER A 38 6.198 -6.376 -7.045 1.00 0.00 H new ATOM 569 N LEU A 39 3.019 -7.200 -10.312 1.00 0.00 N ATOM 570 CA LEU A 39 1.853 -7.640 -11.133 1.00 0.00 C ATOM 571 C LEU A 39 2.301 -7.963 -12.561 1.00 0.00 C ATOM 572 O LEU A 39 1.691 -8.759 -13.246 1.00 0.00 O ATOM 573 CB LEU A 39 0.885 -6.454 -11.129 1.00 0.00 C ATOM 574 CG LEU A 39 0.043 -6.477 -9.850 1.00 0.00 C ATOM 575 CD1 LEU A 39 -1.037 -5.397 -9.931 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.622 -7.847 -9.699 1.00 0.00 C ATOM 0 H LEU A 39 2.972 -6.242 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 39 1.389 -8.542 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.441 -5.519 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.236 -6.499 -12.004 1.00 0.00 H new ATOM 0 HG LEU A 39 0.686 -6.287 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.637 -5.413 -9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.567 -4.420 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.678 -5.588 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.221 -7.862 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.264 -8.036 -10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.145 -8.619 -9.642 1.00 0.00 H new ATOM 588 N GLY A 40 3.363 -7.354 -13.013 1.00 0.00 N ATOM 589 CA GLY A 40 3.845 -7.632 -14.396 1.00 0.00 C ATOM 590 C GLY A 40 4.086 -6.313 -15.131 1.00 0.00 C ATOM 591 O GLY A 40 3.866 -6.206 -16.322 1.00 0.00 O ATOM 0 H GLY A 40 3.916 -6.678 -12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.766 -8.214 -14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.110 -8.231 -14.934 1.00 0.00 H new ATOM 595 N LEU A 41 4.539 -5.308 -14.434 1.00 0.00 N ATOM 596 CA LEU A 41 4.795 -3.996 -15.096 1.00 0.00 C ATOM 597 C LEU A 41 6.101 -3.389 -14.578 1.00 0.00 C ATOM 598 O LEU A 41 6.746 -3.933 -13.704 1.00 0.00 O ATOM 599 CB LEU A 41 3.602 -3.115 -14.716 1.00 0.00 C ATOM 600 CG LEU A 41 3.267 -3.308 -13.236 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.739 -1.994 -12.657 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.196 -4.391 -13.094 1.00 0.00 C ATOM 0 H LEU A 41 4.743 -5.337 -13.435 1.00 0.00 H new ATOM 0 HA LEU A 41 4.897 -4.093 -16.177 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.834 -2.068 -14.912 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.739 -3.371 -15.330 1.00 0.00 H new ATOM 0 HG LEU A 41 4.165 -3.609 -12.697 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.500 -2.131 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.499 -1.220 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.841 -1.694 -13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.956 -4.530 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.299 -4.088 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.569 -5.328 -13.508 1.00 0.00 H new ATOM 614 N SER A 42 6.496 -2.264 -15.111 1.00 0.00 N ATOM 615 CA SER A 42 7.761 -1.624 -14.649 1.00 0.00 C ATOM 616 C SER A 42 7.826 -0.173 -15.132 1.00 0.00 C ATOM 617 O SER A 42 8.376 0.109 -16.179 1.00 0.00 O ATOM 618 CB SER A 42 8.878 -2.452 -15.284 1.00 0.00 C ATOM 619 OG SER A 42 8.569 -3.834 -15.158 1.00 0.00 O ATOM 0 H SER A 42 5.998 -1.761 -15.845 1.00 0.00 H new ATOM 0 HA SER A 42 7.839 -1.600 -13.562 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.990 -2.187 -16.335 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.829 -2.234 -14.798 1.00 0.00 H new ATOM 0 HG SER A 42 8.232 -4.013 -14.255 1.00 0.00 H new ATOM 625 N PRO A 43 7.263 0.700 -14.345 1.00 0.00 N ATOM 626 CA PRO A 43 7.253 2.144 -14.687 1.00 0.00 C ATOM 627 C PRO A 43 8.657 2.737 -14.539 1.00 0.00 C ATOM 628 O PRO A 43 9.645 2.029 -14.553 1.00 0.00 O ATOM 629 CB PRO A 43 6.294 2.748 -13.663 1.00 0.00 C ATOM 630 CG PRO A 43 6.321 1.801 -12.507 1.00 0.00 C ATOM 631 CD PRO A 43 6.587 0.429 -13.072 1.00 0.00 C ATOM 0 HA PRO A 43 6.948 2.340 -15.715 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.613 3.746 -13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.288 2.844 -14.072 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.097 2.083 -11.795 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.373 1.820 -11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.213 -0.164 -12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.662 -0.129 -13.221 1.00 0.00 H new ATOM 639 N SER A 44 8.755 4.032 -14.396 1.00 0.00 N ATOM 640 CA SER A 44 10.097 4.664 -14.248 1.00 0.00 C ATOM 641 C SER A 44 10.131 5.547 -12.998 1.00 0.00 C ATOM 642 O SER A 44 9.106 5.943 -12.479 1.00 0.00 O ATOM 643 CB SER A 44 10.274 5.512 -15.508 1.00 0.00 C ATOM 644 OG SER A 44 9.387 5.048 -16.516 1.00 0.00 O ATOM 0 H SER A 44 7.966 4.678 -14.375 1.00 0.00 H new ATOM 0 HA SER A 44 10.892 3.926 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.074 6.560 -15.286 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.304 5.452 -15.859 1.00 0.00 H new ATOM 0 HG SER A 44 9.497 5.591 -17.324 1.00 0.00 H new ATOM 650 N GLU A 45 11.301 5.857 -12.510 1.00 0.00 N ATOM 651 CA GLU A 45 11.397 6.714 -11.294 1.00 0.00 C ATOM 652 C GLU A 45 10.407 7.877 -11.390 1.00 0.00 C ATOM 653 O GLU A 45 9.503 8.004 -10.587 1.00 0.00 O ATOM 654 CB GLU A 45 12.835 7.233 -11.286 1.00 0.00 C ATOM 655 CG GLU A 45 13.461 6.984 -9.912 1.00 0.00 C ATOM 656 CD GLU A 45 14.248 5.673 -9.939 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.323 5.662 -10.518 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.766 4.702 -9.380 1.00 0.00 O ATOM 0 H GLU A 45 12.194 5.554 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 45 11.158 6.166 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.418 6.732 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.849 8.298 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.120 7.810 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.683 6.938 -9.149 1.00 0.00 H new ATOM 665 N ALA A 46 10.567 8.727 -12.368 1.00 0.00 N ATOM 666 CA ALA A 46 9.632 9.878 -12.514 1.00 0.00 C ATOM 667 C ALA A 46 8.187 9.406 -12.332 1.00 0.00 C ATOM 668 O ALA A 46 7.405 10.020 -11.634 1.00 0.00 O ATOM 669 CB ALA A 46 9.854 10.393 -13.937 1.00 0.00 C ATOM 0 H ALA A 46 11.304 8.674 -13.071 1.00 0.00 H new ATOM 0 HA ALA A 46 9.811 10.654 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.199 11.244 -14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.893 10.702 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.629 9.600 -14.650 1.00 0.00 H new ATOM 675 N GLU A 47 7.828 8.316 -12.954 1.00 0.00 N ATOM 676 CA GLU A 47 6.435 7.802 -12.814 1.00 0.00 C ATOM 677 C GLU A 47 6.135 7.497 -11.344 1.00 0.00 C ATOM 678 O GLU A 47 5.047 7.737 -10.860 1.00 0.00 O ATOM 679 CB GLU A 47 6.400 6.520 -13.647 1.00 0.00 C ATOM 680 CG GLU A 47 4.947 6.105 -13.884 1.00 0.00 C ATOM 681 CD GLU A 47 4.519 6.523 -15.292 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.871 7.620 -15.695 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.849 5.740 -15.944 1.00 0.00 O ATOM 0 H GLU A 47 8.438 7.759 -13.553 1.00 0.00 H new ATOM 0 HA GLU A 47 5.690 8.524 -13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.904 6.679 -14.600 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.937 5.724 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.842 5.027 -13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.299 6.572 -13.142 1.00 0.00 H new ATOM 690 N VAL A 48 7.093 6.971 -10.632 1.00 0.00 N ATOM 691 CA VAL A 48 6.865 6.651 -9.194 1.00 0.00 C ATOM 692 C VAL A 48 6.674 7.941 -8.393 1.00 0.00 C ATOM 693 O VAL A 48 5.785 8.048 -7.570 1.00 0.00 O ATOM 694 CB VAL A 48 8.133 5.924 -8.742 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.870 5.221 -7.408 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.530 4.887 -9.794 1.00 0.00 C ATOM 0 H VAL A 48 8.024 6.749 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 48 5.972 6.044 -9.042 1.00 0.00 H new ATOM 0 HB VAL A 48 8.941 6.646 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.773 4.703 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.587 5.959 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.062 4.500 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.433 4.369 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.722 4.165 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.718 5.386 -10.745 1.00 0.00 H new ATOM 706 N ASN A 49 7.501 8.923 -8.627 1.00 0.00 N ATOM 707 CA ASN A 49 7.367 10.207 -7.880 1.00 0.00 C ATOM 708 C ASN A 49 5.933 10.733 -7.986 1.00 0.00 C ATOM 709 O ASN A 49 5.308 11.063 -6.998 1.00 0.00 O ATOM 710 CB ASN A 49 8.343 11.165 -8.562 1.00 0.00 C ATOM 711 CG ASN A 49 8.349 12.502 -7.820 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.062 12.670 -6.851 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.577 13.469 -8.236 1.00 0.00 N ATOM 0 H ASN A 49 8.264 8.892 -9.303 1.00 0.00 H new ATOM 0 HA ASN A 49 7.584 10.093 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.345 10.736 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.054 11.316 -9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.573 14.364 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.978 13.329 -9.050 1.00 0.00 H new ATOM 720 N ASP A 50 5.408 10.813 -9.178 1.00 0.00 N ATOM 721 CA ASP A 50 4.015 11.319 -9.346 1.00 0.00 C ATOM 722 C ASP A 50 3.017 10.324 -8.748 1.00 0.00 C ATOM 723 O ASP A 50 2.077 10.700 -8.076 1.00 0.00 O ATOM 724 CB ASP A 50 3.815 11.435 -10.858 1.00 0.00 C ATOM 725 CG ASP A 50 3.425 12.871 -11.212 1.00 0.00 C ATOM 726 OD1 ASP A 50 3.097 13.617 -10.304 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.462 13.202 -12.386 1.00 0.00 O ATOM 0 H ASP A 50 5.882 10.550 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 50 3.857 12.271 -8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.731 11.157 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.039 10.744 -11.187 1.00 0.00 H new ATOM 732 N LEU A 51 3.213 9.056 -8.986 1.00 0.00 N ATOM 733 CA LEU A 51 2.276 8.038 -8.429 1.00 0.00 C ATOM 734 C LEU A 51 2.181 8.182 -6.908 1.00 0.00 C ATOM 735 O LEU A 51 1.112 8.111 -6.334 1.00 0.00 O ATOM 736 CB LEU A 51 2.889 6.689 -8.804 1.00 0.00 C ATOM 737 CG LEU A 51 2.611 6.393 -10.278 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.400 5.155 -10.709 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.116 6.136 -10.474 1.00 0.00 C ATOM 0 H LEU A 51 3.981 8.680 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 51 1.265 8.149 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.964 6.703 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.470 5.901 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 51 2.916 7.247 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.201 4.945 -11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.466 5.336 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.096 4.301 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.918 5.925 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.811 5.282 -9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.552 7.017 -10.168 1.00 0.00 H new ATOM 751 N MET A 52 3.290 8.383 -6.251 1.00 0.00 N ATOM 752 CA MET A 52 3.261 8.531 -4.767 1.00 0.00 C ATOM 753 C MET A 52 2.788 9.936 -4.385 1.00 0.00 C ATOM 754 O MET A 52 1.915 10.103 -3.556 1.00 0.00 O ATOM 755 CB MET A 52 4.707 8.311 -4.320 1.00 0.00 C ATOM 756 CG MET A 52 4.733 7.354 -3.129 1.00 0.00 C ATOM 757 SD MET A 52 5.141 5.686 -3.704 1.00 0.00 S ATOM 758 CE MET A 52 3.467 5.198 -4.187 1.00 0.00 C ATOM 0 H MET A 52 4.215 8.451 -6.676 1.00 0.00 H new ATOM 0 HA MET A 52 2.576 7.827 -4.294 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.294 7.902 -5.142 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.163 9.262 -4.046 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.468 7.688 -2.397 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.764 7.351 -2.630 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.445 4.128 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.774 5.426 -3.378 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.172 5.746 -5.082 1.00 0.00 H new ATOM 768 N ASN A 53 3.356 10.947 -4.981 1.00 0.00 N ATOM 769 CA ASN A 53 2.937 12.340 -4.651 1.00 0.00 C ATOM 770 C ASN A 53 1.414 12.468 -4.737 1.00 0.00 C ATOM 771 O ASN A 53 0.822 13.351 -4.150 1.00 0.00 O ATOM 772 CB ASN A 53 3.611 13.218 -5.705 1.00 0.00 C ATOM 773 CG ASN A 53 4.806 13.941 -5.081 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.931 14.003 -3.874 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.697 14.494 -5.857 1.00 0.00 N ATOM 0 H ASN A 53 4.092 10.870 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 53 3.223 12.629 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.941 12.607 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.899 13.943 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.498 14.978 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.593 14.443 -6.870 1.00 0.00 H new ATOM 782 N GLU A 54 0.777 11.595 -5.468 1.00 0.00 N ATOM 783 CA GLU A 54 -0.707 11.669 -5.592 1.00 0.00 C ATOM 784 C GLU A 54 -1.373 10.969 -4.404 1.00 0.00 C ATOM 785 O GLU A 54 -2.581 10.966 -4.270 1.00 0.00 O ATOM 786 CB GLU A 54 -1.033 10.939 -6.896 1.00 0.00 C ATOM 787 CG GLU A 54 -1.536 11.946 -7.933 1.00 0.00 C ATOM 788 CD GLU A 54 -2.989 11.627 -8.290 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.304 10.456 -8.419 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.762 12.561 -8.429 1.00 0.00 O ATOM 0 H GLU A 54 1.219 10.834 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.070 12.697 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.146 10.428 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.790 10.175 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.461 12.959 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.913 11.906 -8.827 1.00 0.00 H new ATOM 797 N ILE A 55 -0.595 10.375 -3.541 1.00 0.00 N ATOM 798 CA ILE A 55 -1.184 9.676 -2.363 1.00 0.00 C ATOM 799 C ILE A 55 -0.261 9.814 -1.149 1.00 0.00 C ATOM 800 O ILE A 55 -0.702 10.079 -0.049 1.00 0.00 O ATOM 801 CB ILE A 55 -1.297 8.212 -2.787 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.850 7.386 -1.624 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.085 7.683 -3.173 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.850 5.904 -2.003 1.00 0.00 C ATOM 0 H ILE A 55 0.423 10.343 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.149 10.093 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.968 8.133 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.244 7.544 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.862 7.710 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.004 6.639 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.481 8.271 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.757 7.762 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.244 5.316 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.475 5.754 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.831 5.584 -2.222 1.00 0.00 H new ATOM 816 N ASP A 56 1.018 9.636 -1.342 1.00 0.00 N ATOM 817 CA ASP A 56 1.968 9.758 -0.199 1.00 0.00 C ATOM 818 C ASP A 56 1.665 11.022 0.609 1.00 0.00 C ATOM 819 O ASP A 56 1.989 11.118 1.776 1.00 0.00 O ATOM 820 CB ASP A 56 3.351 9.851 -0.842 1.00 0.00 C ATOM 821 CG ASP A 56 4.341 8.994 -0.051 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.992 8.575 1.041 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.432 8.771 -0.549 1.00 0.00 O ATOM 0 H ASP A 56 1.446 9.412 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 56 1.895 8.917 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.306 9.512 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.686 10.888 -0.861 1.00 0.00 H new ATOM 828 N VAL A 57 1.046 11.994 -0.003 1.00 0.00 N ATOM 829 CA VAL A 57 0.723 13.252 0.730 1.00 0.00 C ATOM 830 C VAL A 57 1.995 13.853 1.335 1.00 0.00 C ATOM 831 O VAL A 57 2.638 14.696 0.742 1.00 0.00 O ATOM 832 CB VAL A 57 -0.246 12.829 1.834 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.467 13.996 2.797 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.584 12.426 1.209 1.00 0.00 C ATOM 0 H VAL A 57 0.750 11.972 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 57 0.292 14.011 0.077 1.00 0.00 H new ATOM 0 HB VAL A 57 0.173 11.983 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.158 13.693 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.485 14.286 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.886 14.843 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.276 12.124 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.001 13.273 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.429 11.594 0.523 1.00 0.00 H new ATOM 844 N ASP A 58 2.363 13.425 2.512 1.00 0.00 N ATOM 845 CA ASP A 58 3.594 13.973 3.153 1.00 0.00 C ATOM 846 C ASP A 58 4.815 13.141 2.751 1.00 0.00 C ATOM 847 O ASP A 58 5.486 13.435 1.783 1.00 0.00 O ATOM 848 CB ASP A 58 3.339 13.861 4.657 1.00 0.00 C ATOM 849 CG ASP A 58 4.609 14.245 5.419 1.00 0.00 C ATOM 850 OD1 ASP A 58 5.356 15.064 4.911 1.00 0.00 O ATOM 851 OD2 ASP A 58 4.811 13.714 6.498 1.00 0.00 O ATOM 0 H ASP A 58 1.866 12.721 3.057 1.00 0.00 H new ATOM 0 HA ASP A 58 3.797 15.000 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.516 14.515 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.043 12.843 4.912 1.00 0.00 H new ATOM 856 N GLY A 59 5.106 12.103 3.488 1.00 0.00 N ATOM 857 CA GLY A 59 6.282 11.255 3.147 1.00 0.00 C ATOM 858 C GLY A 59 5.994 9.802 3.531 1.00 0.00 C ATOM 859 O GLY A 59 6.274 8.885 2.785 1.00 0.00 O ATOM 0 H GLY A 59 4.580 11.807 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.496 11.324 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.166 11.613 3.674 1.00 0.00 H new ATOM 863 N ASN A 60 5.436 9.585 4.690 1.00 0.00 N ATOM 864 CA ASN A 60 5.129 8.190 5.121 1.00 0.00 C ATOM 865 C ASN A 60 3.621 8.017 5.317 1.00 0.00 C ATOM 866 O ASN A 60 2.929 8.928 5.729 1.00 0.00 O ATOM 867 CB ASN A 60 5.867 8.016 6.449 1.00 0.00 C ATOM 868 CG ASN A 60 7.178 7.266 6.211 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.357 6.644 5.183 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.109 7.299 7.124 1.00 0.00 N ATOM 0 H ASN A 60 5.179 10.312 5.358 1.00 0.00 H new ATOM 0 HA ASN A 60 5.439 7.451 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.069 8.990 6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.244 7.466 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.987 6.803 6.975 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.959 7.821 7.987 1.00 0.00 H new ATOM 877 N HIS A 61 3.105 6.854 5.026 1.00 0.00 N ATOM 878 CA HIS A 61 1.641 6.626 5.197 1.00 0.00 C ATOM 879 C HIS A 61 1.301 5.154 4.940 1.00 0.00 C ATOM 880 O HIS A 61 2.105 4.402 4.423 1.00 0.00 O ATOM 881 CB HIS A 61 0.974 7.524 4.153 1.00 0.00 C ATOM 882 CG HIS A 61 1.159 6.932 2.782 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.120 5.971 2.515 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.510 7.155 1.592 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.024 5.653 1.211 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.058 6.345 0.602 1.00 0.00 N ATOM 0 H HIS A 61 3.632 6.053 4.678 1.00 0.00 H new ATOM 0 HA HIS A 61 1.302 6.857 6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.088 7.628 4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.407 8.524 4.189 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.780 5.576 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.302 7.853 1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.652 4.926 0.717 1.00 0.00 H new ATOM 894 N GLN A 62 0.117 4.739 5.295 1.00 0.00 N ATOM 895 CA GLN A 62 -0.273 3.317 5.069 1.00 0.00 C ATOM 896 C GLN A 62 -1.224 3.214 3.873 1.00 0.00 C ATOM 897 O GLN A 62 -2.382 3.574 3.956 1.00 0.00 O ATOM 898 CB GLN A 62 -0.981 2.889 6.355 1.00 0.00 C ATOM 899 CG GLN A 62 -2.268 3.698 6.523 1.00 0.00 C ATOM 900 CD GLN A 62 -2.418 4.121 7.986 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.514 4.695 8.560 1.00 0.00 O ATOM 902 NE2 GLN A 62 -3.531 3.862 8.617 1.00 0.00 N ATOM 0 H GLN A 62 -0.598 5.321 5.731 1.00 0.00 H new ATOM 0 HA GLN A 62 0.586 2.684 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.211 1.824 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.326 3.045 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.244 4.578 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.127 3.102 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.290 3.380 8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.642 4.142 9.592 1.00 0.00 H new ATOM 911 N ILE A 63 -0.744 2.729 2.761 1.00 0.00 N ATOM 912 CA ILE A 63 -1.620 2.606 1.561 1.00 0.00 C ATOM 913 C ILE A 63 -2.666 1.508 1.779 1.00 0.00 C ATOM 914 O ILE A 63 -2.420 0.530 2.457 1.00 0.00 O ATOM 915 CB ILE A 63 -0.677 2.230 0.419 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.270 3.399 0.138 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.493 1.922 -0.838 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.286 2.988 -0.931 1.00 0.00 C ATOM 0 H ILE A 63 0.217 2.412 2.631 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.166 3.526 1.352 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.098 1.350 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.297 4.267 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.786 3.690 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.820 1.654 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.170 1.091 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.072 2.801 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.960 3.821 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.861 2.132 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.761 2.718 -1.847 1.00 0.00 H new ATOM 930 N GLU A 64 -3.830 1.664 1.210 1.00 0.00 N ATOM 931 CA GLU A 64 -4.889 0.629 1.385 1.00 0.00 C ATOM 932 C GLU A 64 -5.123 -0.116 0.069 1.00 0.00 C ATOM 933 O GLU A 64 -5.311 0.484 -0.970 1.00 0.00 O ATOM 934 CB GLU A 64 -6.140 1.409 1.791 1.00 0.00 C ATOM 935 CG GLU A 64 -6.342 1.301 3.304 1.00 0.00 C ATOM 936 CD GLU A 64 -7.818 1.037 3.605 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.652 1.662 2.970 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.090 0.215 4.465 1.00 0.00 O ATOM 0 H GLU A 64 -4.094 2.462 0.632 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.617 -0.120 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.039 2.455 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.012 1.016 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.728 0.495 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.020 2.221 3.791 1.00 0.00 H new ATOM 945 N PHE A 65 -5.113 -1.421 0.105 1.00 0.00 N ATOM 946 CA PHE A 65 -5.336 -2.202 -1.145 1.00 0.00 C ATOM 947 C PHE A 65 -6.487 -1.596 -1.952 1.00 0.00 C ATOM 948 O PHE A 65 -6.500 -1.645 -3.165 1.00 0.00 O ATOM 949 CB PHE A 65 -5.695 -3.611 -0.671 1.00 0.00 C ATOM 950 CG PHE A 65 -5.869 -4.516 -1.868 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.809 -4.701 -2.765 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.087 -5.171 -2.079 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.970 -5.540 -3.873 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.248 -6.009 -3.188 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.189 -6.194 -4.085 1.00 0.00 C ATOM 0 H PHE A 65 -4.960 -1.979 0.945 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.461 -2.200 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.911 -3.998 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.613 -3.586 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.868 -4.196 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.903 -5.030 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.153 -5.683 -4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.189 -6.513 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.313 -6.841 -4.941 1.00 0.00 H new ATOM 965 N SER A 66 -7.453 -1.024 -1.286 1.00 0.00 N ATOM 966 CA SER A 66 -8.602 -0.416 -2.016 1.00 0.00 C ATOM 967 C SER A 66 -8.116 0.734 -2.902 1.00 0.00 C ATOM 968 O SER A 66 -7.880 0.564 -4.082 1.00 0.00 O ATOM 969 CB SER A 66 -9.533 0.107 -0.923 1.00 0.00 C ATOM 970 OG SER A 66 -10.612 -0.803 -0.750 1.00 0.00 O ATOM 0 H SER A 66 -7.496 -0.951 -0.270 1.00 0.00 H new ATOM 0 HA SER A 66 -9.102 -1.131 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.986 0.222 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.913 1.092 -1.193 1.00 0.00 H new ATOM 0 HG SER A 66 -11.210 -0.471 -0.048 1.00 0.00 H new ATOM 976 N GLU A 67 -7.964 1.904 -2.343 1.00 0.00 N ATOM 977 CA GLU A 67 -7.493 3.063 -3.156 1.00 0.00 C ATOM 978 C GLU A 67 -6.348 2.631 -4.076 1.00 0.00 C ATOM 979 O GLU A 67 -6.294 3.001 -5.231 1.00 0.00 O ATOM 980 CB GLU A 67 -7.003 4.091 -2.134 1.00 0.00 C ATOM 981 CG GLU A 67 -5.743 3.565 -1.446 1.00 0.00 C ATOM 982 CD GLU A 67 -5.334 4.526 -0.326 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.077 5.459 -0.074 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.285 4.311 0.258 1.00 0.00 O ATOM 0 H GLU A 67 -8.145 2.108 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.278 3.467 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.791 5.039 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.780 4.284 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.927 2.571 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.934 3.468 -2.170 1.00 0.00 H new ATOM 991 N PHE A 68 -5.432 1.850 -3.570 1.00 0.00 N ATOM 992 CA PHE A 68 -4.292 1.394 -4.417 1.00 0.00 C ATOM 993 C PHE A 68 -4.797 0.983 -5.803 1.00 0.00 C ATOM 994 O PHE A 68 -4.401 1.540 -6.808 1.00 0.00 O ATOM 995 CB PHE A 68 -3.709 0.190 -3.677 1.00 0.00 C ATOM 996 CG PHE A 68 -2.805 -0.588 -4.605 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.144 0.068 -5.650 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.629 -1.964 -4.418 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.305 -0.652 -6.509 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.790 -2.684 -5.277 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.128 -2.029 -6.322 1.00 0.00 C ATOM 0 H PHE A 68 -5.423 1.509 -2.609 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.549 2.176 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.149 0.524 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.513 -0.451 -3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.281 1.130 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.140 -2.470 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.795 -0.146 -7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.653 -3.746 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.481 -2.585 -6.984 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.666 0.014 -5.864 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.195 -0.433 -7.183 1.00 0.00 C ATOM 1013 C LEU A 69 -7.214 0.579 -7.715 1.00 0.00 C ATOM 1014 O LEU A 69 -7.297 0.827 -8.901 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.867 -1.779 -6.905 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.854 -2.908 -7.107 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.541 -2.554 -6.403 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.412 -4.203 -6.513 1.00 0.00 C ATOM 0 H LEU A 69 -6.034 -0.489 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.411 -0.518 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.253 -1.801 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.718 -1.917 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.670 -3.041 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.821 -3.360 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.141 -1.630 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.724 -2.420 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.692 -5.009 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.596 -4.065 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.347 -4.459 -7.012 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.989 1.167 -6.846 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.999 2.163 -7.304 1.00 0.00 C ATOM 1032 C ALA A 70 -8.330 3.221 -8.186 1.00 0.00 C ATOM 1033 O ALA A 70 -8.957 3.825 -9.033 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.540 2.798 -6.022 1.00 0.00 C ATOM 0 H ALA A 70 -7.967 1.001 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.792 1.707 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.292 3.545 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.991 2.027 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.724 3.274 -5.479 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.060 3.448 -7.992 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.349 4.466 -8.819 1.00 0.00 C ATOM 1042 C LEU A 71 -5.465 3.775 -9.862 1.00 0.00 C ATOM 1043 O LEU A 71 -5.241 4.291 -10.939 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.491 5.252 -7.828 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.342 6.334 -7.161 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.583 5.694 -6.535 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.523 7.027 -6.071 1.00 0.00 C ATOM 0 H LEU A 71 -6.483 2.973 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.039 5.111 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.081 4.581 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.645 5.706 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.648 7.067 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.189 6.465 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.168 5.199 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.277 4.961 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.129 7.798 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.217 6.294 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.638 7.483 -6.515 1.00 0.00 H new ATOM 1059 N MET A 72 -4.965 2.611 -9.551 1.00 0.00 N ATOM 1060 CA MET A 72 -4.097 1.887 -10.525 1.00 0.00 C ATOM 1061 C MET A 72 -4.922 1.430 -11.731 1.00 0.00 C ATOM 1062 O MET A 72 -4.394 1.179 -12.796 1.00 0.00 O ATOM 1063 CB MET A 72 -3.559 0.681 -9.754 1.00 0.00 C ATOM 1064 CG MET A 72 -2.038 0.789 -9.632 1.00 0.00 C ATOM 1065 SD MET A 72 -1.306 0.897 -11.284 1.00 0.00 S ATOM 1066 CE MET A 72 -0.408 2.449 -11.033 1.00 0.00 C ATOM 0 H MET A 72 -5.119 2.129 -8.665 1.00 0.00 H new ATOM 0 HA MET A 72 -3.294 2.516 -10.911 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.012 0.638 -8.763 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.828 -0.242 -10.268 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.771 1.669 -9.046 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.642 -0.078 -9.103 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.808 3.213 -11.700 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.524 2.773 -9.999 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.649 2.297 -11.249 1.00 0.00 H new ATOM 1076 N SER A 73 -6.213 1.320 -11.572 1.00 0.00 N ATOM 1077 CA SER A 73 -7.069 0.879 -12.710 1.00 0.00 C ATOM 1078 C SER A 73 -7.242 2.020 -13.716 1.00 0.00 C ATOM 1079 O SER A 73 -7.916 1.879 -14.717 1.00 0.00 O ATOM 1080 CB SER A 73 -8.411 0.515 -12.077 1.00 0.00 C ATOM 1081 OG SER A 73 -8.819 -0.763 -12.543 1.00 0.00 O ATOM 0 H SER A 73 -6.712 1.516 -10.704 1.00 0.00 H new ATOM 0 HA SER A 73 -6.633 0.041 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.323 0.508 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.161 1.264 -12.331 1.00 0.00 H new ATOM 0 HG SER A 73 -9.679 -1.000 -12.137 1.00 0.00 H new