USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 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 Single : A 5 THR OG1 : rot 15:sc= 0.819 USER MOD Single : A 8 GLN : amide:sc= -0.052 K(o=-0.052,f=-0.99) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.031) USER MOD Single : A 24 ASN : amide:sc=-0.00527 K(o=-0.0053,f=-1.6) USER MOD Single : A 26 SER OG : rot 41:sc= 0.0648 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.392 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 36 MET CE :methyl -142:sc= -0.0298 (180deg=-1.83) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.355 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0074 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 170:sc= -0.624 (180deg=-0.649) USER MOD Single : A 53 ASN : amide:sc= -0.356 K(o=-0.36,f=-3.6!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -16! C(o=-16!,f=-17!) USER MOD Single : A 62 GLN : amide:sc= -0.354 K(o=-0.35,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -144:sc= -0.932 (180deg=-2.42!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.584 -6.846 -13.197 1.00 0.00 N ATOM 59 CA THR A 5 -11.752 -7.771 -13.133 1.00 0.00 C ATOM 60 C THR A 5 -11.623 -8.703 -11.925 1.00 0.00 C ATOM 61 O THR A 5 -10.905 -8.423 -10.986 1.00 0.00 O ATOM 62 CB THR A 5 -11.697 -8.570 -14.436 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.944 -7.848 -15.400 1.00 0.00 O ATOM 64 CG2 THR A 5 -13.116 -8.796 -14.958 1.00 0.00 C ATOM 0 HA THR A 5 -12.696 -7.237 -13.022 1.00 0.00 H new ATOM 0 HB THR A 5 -11.223 -9.534 -14.252 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.435 -7.140 -14.954 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.076 -9.365 -15.887 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.692 -9.350 -14.217 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.593 -7.834 -15.143 1.00 0.00 H new ATOM 72 N GLU A 6 -12.316 -9.810 -11.942 1.00 0.00 N ATOM 73 CA GLU A 6 -12.232 -10.758 -10.795 1.00 0.00 C ATOM 74 C GLU A 6 -10.829 -11.366 -10.712 1.00 0.00 C ATOM 75 O GLU A 6 -10.091 -11.126 -9.777 1.00 0.00 O ATOM 76 CB GLU A 6 -13.269 -11.840 -11.098 1.00 0.00 C ATOM 77 CG GLU A 6 -14.591 -11.486 -10.415 1.00 0.00 C ATOM 78 CD GLU A 6 -14.697 -12.235 -9.085 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.759 -12.940 -8.749 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.712 -12.091 -8.426 1.00 0.00 O ATOM 0 H GLU A 6 -12.935 -10.098 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.422 -10.268 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.416 -11.927 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.913 -12.808 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.648 -10.411 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.428 -11.751 -11.061 1.00 0.00 H new ATOM 87 N GLU A 7 -10.455 -12.153 -11.683 1.00 0.00 N ATOM 88 CA GLU A 7 -9.100 -12.775 -11.659 1.00 0.00 C ATOM 89 C GLU A 7 -8.022 -11.691 -11.568 1.00 0.00 C ATOM 90 O GLU A 7 -7.020 -11.854 -10.900 1.00 0.00 O ATOM 91 CB GLU A 7 -8.989 -13.533 -12.983 1.00 0.00 C ATOM 92 CG GLU A 7 -9.143 -15.034 -12.727 1.00 0.00 C ATOM 93 CD GLU A 7 -10.360 -15.559 -13.490 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.536 -15.162 -14.630 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.094 -16.350 -12.922 1.00 0.00 O ATOM 0 H GLU A 7 -11.028 -12.392 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.962 -13.432 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.758 -13.191 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.026 -13.330 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.245 -15.562 -13.046 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.261 -15.222 -11.660 1.00 0.00 H new ATOM 102 N GLN A 8 -8.221 -10.587 -12.232 1.00 0.00 N ATOM 103 CA GLN A 8 -7.207 -9.494 -12.182 1.00 0.00 C ATOM 104 C GLN A 8 -7.024 -9.013 -10.741 1.00 0.00 C ATOM 105 O GLN A 8 -5.974 -9.175 -10.151 1.00 0.00 O ATOM 106 CB GLN A 8 -7.785 -8.377 -13.051 1.00 0.00 C ATOM 107 CG GLN A 8 -6.788 -8.025 -14.158 1.00 0.00 C ATOM 108 CD GLN A 8 -7.226 -8.683 -15.467 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.858 -9.720 -15.458 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.914 -8.119 -16.603 1.00 0.00 N ATOM 0 H GLN A 8 -9.041 -10.393 -12.807 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.229 -9.820 -12.536 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.732 -8.694 -13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.993 -7.498 -12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.734 -6.944 -14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.789 -8.365 -13.884 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.383 -7.248 -16.611 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.201 -8.550 -17.482 1.00 0.00 H new ATOM 119 N ILE A 9 -8.038 -8.425 -10.167 1.00 0.00 N ATOM 120 CA ILE A 9 -7.920 -7.938 -8.763 1.00 0.00 C ATOM 121 C ILE A 9 -7.348 -9.043 -7.870 1.00 0.00 C ATOM 122 O ILE A 9 -6.552 -8.792 -6.987 1.00 0.00 O ATOM 123 CB ILE A 9 -9.347 -7.593 -8.341 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.876 -6.455 -9.218 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.356 -7.153 -6.876 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.317 -6.130 -8.820 1.00 0.00 C ATOM 0 H ILE A 9 -8.942 -8.261 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.253 -7.080 -8.677 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.982 -8.471 -8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.248 -5.572 -9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.834 -6.742 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.375 -6.907 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.979 -7.962 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.721 -6.276 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.693 -5.320 -9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.940 -7.013 -8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.346 -5.825 -7.774 1.00 0.00 H new ATOM 138 N ALA A 10 -7.748 -10.263 -8.096 1.00 0.00 N ATOM 139 CA ALA A 10 -7.226 -11.385 -7.263 1.00 0.00 C ATOM 140 C ALA A 10 -5.696 -11.350 -7.234 1.00 0.00 C ATOM 141 O ALA A 10 -5.089 -11.172 -6.197 1.00 0.00 O ATOM 142 CB ALA A 10 -7.723 -12.656 -7.953 1.00 0.00 C ATOM 0 H ALA A 10 -8.413 -10.533 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.565 -11.326 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.379 -13.529 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.813 -12.651 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.332 -12.695 -8.970 1.00 0.00 H new ATOM 148 N GLU A 11 -5.068 -11.519 -8.365 1.00 0.00 N ATOM 149 CA GLU A 11 -3.578 -11.492 -8.401 1.00 0.00 C ATOM 150 C GLU A 11 -3.060 -10.228 -7.713 1.00 0.00 C ATOM 151 O GLU A 11 -2.034 -10.239 -7.061 1.00 0.00 O ATOM 152 CB GLU A 11 -3.216 -11.484 -9.887 1.00 0.00 C ATOM 153 CG GLU A 11 -3.204 -12.918 -10.418 1.00 0.00 C ATOM 154 CD GLU A 11 -3.628 -12.922 -11.888 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.257 -11.964 -12.305 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.316 -13.883 -12.571 1.00 0.00 O ATOM 0 H GLU A 11 -5.522 -11.675 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.135 -12.342 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.936 -10.885 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.239 -11.023 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.207 -13.347 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.881 -13.540 -9.832 1.00 0.00 H new ATOM 163 N PHE A 12 -3.761 -9.136 -7.852 1.00 0.00 N ATOM 164 CA PHE A 12 -3.311 -7.872 -7.203 1.00 0.00 C ATOM 165 C PHE A 12 -3.339 -8.027 -5.681 1.00 0.00 C ATOM 166 O PHE A 12 -2.434 -7.610 -4.987 1.00 0.00 O ATOM 167 CB PHE A 12 -4.316 -6.813 -7.655 1.00 0.00 C ATOM 168 CG PHE A 12 -3.953 -6.327 -9.038 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.776 -7.245 -10.080 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.796 -4.957 -9.279 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.443 -6.794 -11.361 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.463 -4.505 -10.561 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.286 -5.423 -11.602 1.00 0.00 C ATOM 0 H PHE A 12 -4.626 -9.065 -8.387 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.291 -7.604 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.323 -7.231 -7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.319 -5.978 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.897 -8.302 -9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.932 -4.249 -8.475 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.307 -7.503 -12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.343 -3.448 -10.747 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.028 -5.075 -12.591 1.00 0.00 H new ATOM 183 N LYS A 13 -4.374 -8.626 -5.156 1.00 0.00 N ATOM 184 CA LYS A 13 -4.457 -8.809 -3.679 1.00 0.00 C ATOM 185 C LYS A 13 -3.241 -9.593 -3.181 1.00 0.00 C ATOM 186 O LYS A 13 -2.545 -9.170 -2.280 1.00 0.00 O ATOM 187 CB LYS A 13 -5.742 -9.607 -3.450 1.00 0.00 C ATOM 188 CG LYS A 13 -5.851 -9.986 -1.972 1.00 0.00 C ATOM 189 CD LYS A 13 -7.034 -9.249 -1.341 1.00 0.00 C ATOM 190 CE LYS A 13 -8.312 -9.574 -2.118 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.401 -9.522 -1.104 1.00 0.00 N ATOM 0 H LYS A 13 -5.164 -8.996 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.468 -7.860 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.608 -9.016 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.740 -10.505 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.984 -11.063 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.929 -9.729 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.145 -9.544 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.853 -8.174 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.482 -8.853 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.252 -10.558 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.311 -9.734 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.215 -10.223 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.438 -8.572 -0.683 1.00 0.00 H new ATOM 205 N GLU A 14 -2.977 -10.730 -3.765 1.00 0.00 N ATOM 206 CA GLU A 14 -1.802 -11.536 -3.326 1.00 0.00 C ATOM 207 C GLU A 14 -0.547 -10.660 -3.313 1.00 0.00 C ATOM 208 O GLU A 14 0.264 -10.734 -2.410 1.00 0.00 O ATOM 209 CB GLU A 14 -1.671 -12.646 -4.369 1.00 0.00 C ATOM 210 CG GLU A 14 -1.523 -13.995 -3.662 1.00 0.00 C ATOM 211 CD GLU A 14 -1.147 -15.070 -4.684 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.032 -15.520 -5.392 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.019 -15.422 -4.742 1.00 0.00 O ATOM 0 H GLU A 14 -3.523 -11.135 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.924 -11.938 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.548 -12.657 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.807 -12.461 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.757 -13.930 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.456 -14.261 -3.165 1.00 0.00 H new ATOM 220 N ALA A 15 -0.383 -9.829 -4.305 1.00 0.00 N ATOM 221 CA ALA A 15 0.817 -8.945 -4.349 1.00 0.00 C ATOM 222 C ALA A 15 0.748 -7.911 -3.223 1.00 0.00 C ATOM 223 O ALA A 15 1.490 -7.972 -2.263 1.00 0.00 O ATOM 224 CB ALA A 15 0.752 -8.257 -5.713 1.00 0.00 C ATOM 0 H ALA A 15 -1.028 -9.723 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 15 1.746 -9.500 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.604 -7.587 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.778 -9.009 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.172 -7.684 -5.788 1.00 0.00 H new ATOM 230 N PHE A 16 -0.139 -6.960 -3.334 1.00 0.00 N ATOM 231 CA PHE A 16 -0.262 -5.920 -2.273 1.00 0.00 C ATOM 232 C PHE A 16 -0.151 -6.557 -0.884 1.00 0.00 C ATOM 233 O PHE A 16 0.589 -6.098 -0.037 1.00 0.00 O ATOM 234 CB PHE A 16 -1.651 -5.318 -2.476 1.00 0.00 C ATOM 235 CG PHE A 16 -1.843 -4.153 -1.536 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.353 -2.887 -1.879 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.512 -4.337 -0.320 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.533 -1.806 -1.008 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.693 -3.257 0.551 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.204 -1.991 0.207 1.00 0.00 C ATOM 0 H PHE A 16 -0.786 -6.858 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 16 0.526 -5.169 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.767 -4.988 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.415 -6.074 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.836 -2.744 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.889 -5.314 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.155 -0.830 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.210 -3.400 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.344 -1.157 0.879 1.00 0.00 H new ATOM 250 N ALA A 17 -0.883 -7.611 -0.645 1.00 0.00 N ATOM 251 CA ALA A 17 -0.823 -8.274 0.689 1.00 0.00 C ATOM 252 C ALA A 17 0.523 -8.981 0.879 1.00 0.00 C ATOM 253 O ALA A 17 0.932 -9.266 1.986 1.00 0.00 O ATOM 254 CB ALA A 17 -1.965 -9.291 0.675 1.00 0.00 C ATOM 0 H ALA A 17 -1.520 -8.042 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.919 -7.559 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.989 -9.824 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.912 -8.773 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.809 -10.003 -0.136 1.00 0.00 H new ATOM 260 N LEU A 18 1.213 -9.268 -0.192 1.00 0.00 N ATOM 261 CA LEU A 18 2.529 -9.958 -0.062 1.00 0.00 C ATOM 262 C LEU A 18 3.532 -9.058 0.667 1.00 0.00 C ATOM 263 O LEU A 18 4.545 -9.513 1.158 1.00 0.00 O ATOM 264 CB LEU A 18 2.987 -10.217 -1.498 1.00 0.00 C ATOM 265 CG LEU A 18 3.320 -11.700 -1.668 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.288 -12.064 -3.154 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.716 -11.976 -1.106 1.00 0.00 C ATOM 0 H LEU A 18 0.924 -9.056 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 18 2.454 -10.880 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.204 -9.927 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.862 -9.608 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 18 2.586 -12.301 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.525 -13.121 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.294 -11.867 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.022 -11.464 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.954 -13.033 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.450 -11.375 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.740 -11.717 -0.047 1.00 0.00 H new ATOM 279 N PHE A 19 3.257 -7.784 0.744 1.00 0.00 N ATOM 280 CA PHE A 19 4.196 -6.861 1.444 1.00 0.00 C ATOM 281 C PHE A 19 3.464 -6.100 2.552 1.00 0.00 C ATOM 282 O PHE A 19 4.004 -5.199 3.163 1.00 0.00 O ATOM 283 CB PHE A 19 4.686 -5.895 0.364 1.00 0.00 C ATOM 284 CG PHE A 19 5.067 -6.670 -0.874 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.085 -7.015 -1.810 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.399 -7.043 -1.086 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.436 -7.734 -2.959 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.750 -7.762 -2.235 1.00 0.00 C ATOM 289 CZ PHE A 19 5.769 -8.107 -3.172 1.00 0.00 C ATOM 0 H PHE A 19 2.424 -7.343 0.353 1.00 0.00 H new ATOM 0 HA PHE A 19 5.021 -7.395 1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.905 -5.172 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.543 -5.330 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.057 -6.727 -1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.156 -6.776 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.679 -8.001 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.778 -8.050 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.040 -8.661 -4.059 1.00 0.00 H new ATOM 299 N ASP A 20 2.235 -6.454 2.816 1.00 0.00 N ATOM 300 CA ASP A 20 1.469 -5.751 3.884 1.00 0.00 C ATOM 301 C ASP A 20 2.103 -6.016 5.252 1.00 0.00 C ATOM 302 O ASP A 20 1.795 -6.987 5.913 1.00 0.00 O ATOM 303 CB ASP A 20 0.062 -6.346 3.821 1.00 0.00 C ATOM 304 CG ASP A 20 0.126 -7.843 4.133 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.220 -8.382 4.129 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.920 -8.424 4.368 1.00 0.00 O ATOM 0 H ASP A 20 1.729 -7.200 2.338 1.00 0.00 H new ATOM 0 HA ASP A 20 1.461 -4.670 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.590 -5.842 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.367 -6.188 2.832 1.00 0.00 H new ATOM 311 N LYS A 21 2.988 -5.158 5.683 1.00 0.00 N ATOM 312 CA LYS A 21 3.642 -5.362 7.008 1.00 0.00 C ATOM 313 C LYS A 21 2.609 -5.243 8.131 1.00 0.00 C ATOM 314 O LYS A 21 2.646 -5.972 9.102 1.00 0.00 O ATOM 315 CB LYS A 21 4.680 -4.244 7.114 1.00 0.00 C ATOM 316 CG LYS A 21 5.478 -4.408 8.408 1.00 0.00 C ATOM 317 CD LYS A 21 6.038 -3.051 8.839 1.00 0.00 C ATOM 318 CE LYS A 21 7.130 -3.260 9.890 1.00 0.00 C ATOM 319 NZ LYS A 21 6.427 -3.156 11.200 1.00 0.00 N ATOM 0 H LYS A 21 3.286 -4.325 5.175 1.00 0.00 H new ATOM 0 HA LYS A 21 4.096 -6.349 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.350 -4.273 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.186 -3.272 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.840 -4.815 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.291 -5.118 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.445 -2.523 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.241 -2.429 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.608 -4.233 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.913 -2.507 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.111 -3.289 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.987 -2.217 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.692 -3.889 11.259 1.00 0.00 H new ATOM 333 N ASP A 22 1.685 -4.329 8.006 1.00 0.00 N ATOM 334 CA ASP A 22 0.651 -4.164 9.068 1.00 0.00 C ATOM 335 C ASP A 22 -0.355 -5.318 9.011 1.00 0.00 C ATOM 336 O ASP A 22 -1.139 -5.517 9.917 1.00 0.00 O ATOM 337 CB ASP A 22 -0.038 -2.837 8.748 1.00 0.00 C ATOM 338 CG ASP A 22 1.014 -1.733 8.629 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.617 -1.405 9.637 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.198 -1.232 7.531 1.00 0.00 O ATOM 0 H ASP A 22 1.601 -3.690 7.215 1.00 0.00 H new ATOM 0 HA ASP A 22 1.083 -4.168 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.599 -2.921 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.755 -2.589 9.531 1.00 0.00 H new ATOM 345 N ASN A 23 -0.338 -6.080 7.952 1.00 0.00 N ATOM 346 CA ASN A 23 -1.293 -7.219 7.837 1.00 0.00 C ATOM 347 C ASN A 23 -2.736 -6.711 7.917 1.00 0.00 C ATOM 348 O ASN A 23 -3.652 -7.455 8.203 1.00 0.00 O ATOM 349 CB ASN A 23 -0.976 -8.123 9.030 1.00 0.00 C ATOM 350 CG ASN A 23 -0.217 -9.360 8.547 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.834 -9.682 9.064 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.709 -10.071 7.571 1.00 0.00 N ATOM 0 H ASN A 23 0.296 -5.963 7.161 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.195 -7.746 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.379 -7.580 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.898 -8.421 9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.211 -10.898 7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.592 -9.800 7.137 1.00 0.00 H new ATOM 359 N ASN A 24 -2.943 -5.448 7.666 1.00 0.00 N ATOM 360 CA ASN A 24 -4.326 -4.893 7.727 1.00 0.00 C ATOM 361 C ASN A 24 -4.774 -4.433 6.338 1.00 0.00 C ATOM 362 O ASN A 24 -5.430 -3.420 6.190 1.00 0.00 O ATOM 363 CB ASN A 24 -4.233 -3.702 8.683 1.00 0.00 C ATOM 364 CG ASN A 24 -3.961 -4.206 10.102 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.196 -5.359 10.405 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.472 -3.385 10.990 1.00 0.00 N ATOM 0 H ASN A 24 -2.216 -4.776 7.421 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.053 -5.632 8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.436 -3.029 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.161 -3.131 8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.287 -3.711 11.939 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.275 -2.417 10.736 1.00 0.00 H new ATOM 373 N GLY A 25 -4.425 -5.168 5.318 1.00 0.00 N ATOM 374 CA GLY A 25 -4.831 -4.771 3.940 1.00 0.00 C ATOM 375 C GLY A 25 -4.224 -3.409 3.600 1.00 0.00 C ATOM 376 O GLY A 25 -4.732 -2.683 2.768 1.00 0.00 O ATOM 0 H GLY A 25 -3.877 -6.026 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.497 -5.519 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.918 -4.724 3.869 1.00 0.00 H new ATOM 380 N SER A 26 -3.139 -3.057 4.234 1.00 0.00 N ATOM 381 CA SER A 26 -2.501 -1.741 3.946 1.00 0.00 C ATOM 382 C SER A 26 -0.978 -1.893 3.891 1.00 0.00 C ATOM 383 O SER A 26 -0.384 -2.579 4.699 1.00 0.00 O ATOM 384 CB SER A 26 -2.909 -0.839 5.110 1.00 0.00 C ATOM 385 OG SER A 26 -2.622 -1.497 6.337 1.00 0.00 O ATOM 0 H SER A 26 -2.667 -3.623 4.939 1.00 0.00 H new ATOM 0 HA SER A 26 -2.814 -1.332 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.371 0.108 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.972 -0.606 5.049 1.00 0.00 H new ATOM 0 HG SER A 26 -1.758 -1.954 6.269 1.00 0.00 H new ATOM 391 N ILE A 27 -0.343 -1.258 2.944 1.00 0.00 N ATOM 392 CA ILE A 27 1.140 -1.368 2.839 1.00 0.00 C ATOM 393 C ILE A 27 1.769 0.026 2.761 1.00 0.00 C ATOM 394 O ILE A 27 1.120 0.993 2.420 1.00 0.00 O ATOM 395 CB ILE A 27 1.390 -2.139 1.542 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.108 -1.228 0.344 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.464 -3.356 1.485 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.313 -2.011 -0.954 1.00 0.00 C ATOM 0 H ILE A 27 -0.786 -0.669 2.239 1.00 0.00 H new ATOM 0 HA ILE A 27 1.578 -1.868 3.703 1.00 0.00 H new ATOM 0 HB ILE A 27 2.428 -2.470 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.087 -0.849 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.771 -0.363 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.642 -3.906 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.664 -4.005 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.574 -3.025 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.112 -1.362 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.341 -2.368 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.632 -2.862 -0.977 1.00 0.00 H new ATOM 410 N SER A 28 3.033 0.135 3.070 1.00 0.00 N ATOM 411 CA SER A 28 3.701 1.465 3.007 1.00 0.00 C ATOM 412 C SER A 28 4.056 1.801 1.557 1.00 0.00 C ATOM 413 O SER A 28 4.324 0.927 0.755 1.00 0.00 O ATOM 414 CB SER A 28 4.968 1.313 3.848 1.00 0.00 C ATOM 415 OG SER A 28 4.932 2.243 4.922 1.00 0.00 O ATOM 0 H SER A 28 3.630 -0.638 3.363 1.00 0.00 H new ATOM 0 HA SER A 28 3.064 2.269 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.042 0.296 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.850 1.485 3.232 1.00 0.00 H new ATOM 0 HG SER A 28 5.742 2.147 5.465 1.00 0.00 H new ATOM 421 N SER A 29 4.059 3.058 1.210 1.00 0.00 N ATOM 422 CA SER A 29 4.395 3.442 -0.191 1.00 0.00 C ATOM 423 C SER A 29 5.598 2.635 -0.686 1.00 0.00 C ATOM 424 O SER A 29 5.594 2.107 -1.780 1.00 0.00 O ATOM 425 CB SER A 29 4.739 4.931 -0.124 1.00 0.00 C ATOM 426 OG SER A 29 6.152 5.086 -0.117 1.00 0.00 O ATOM 0 H SER A 29 3.844 3.835 1.834 1.00 0.00 H new ATOM 0 HA SER A 29 3.574 3.245 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.308 5.454 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.308 5.376 0.773 1.00 0.00 H new ATOM 0 HG SER A 29 6.376 6.039 -0.076 1.00 0.00 H new ATOM 432 N SER A 30 6.626 2.533 0.111 1.00 0.00 N ATOM 433 CA SER A 30 7.825 1.757 -0.316 1.00 0.00 C ATOM 434 C SER A 30 7.409 0.357 -0.777 1.00 0.00 C ATOM 435 O SER A 30 7.977 -0.197 -1.697 1.00 0.00 O ATOM 436 CB SER A 30 8.705 1.672 0.930 1.00 0.00 C ATOM 437 OG SER A 30 9.376 0.417 0.947 1.00 0.00 O ATOM 0 H SER A 30 6.688 2.953 1.039 1.00 0.00 H new ATOM 0 HA SER A 30 8.346 2.225 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.431 2.485 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.097 1.784 1.827 1.00 0.00 H new ATOM 0 HG SER A 30 9.943 0.360 1.744 1.00 0.00 H new ATOM 443 N GLU A 31 6.422 -0.216 -0.146 1.00 0.00 N ATOM 444 CA GLU A 31 5.970 -1.580 -0.549 1.00 0.00 C ATOM 445 C GLU A 31 5.124 -1.501 -1.822 1.00 0.00 C ATOM 446 O GLU A 31 5.165 -2.379 -2.661 1.00 0.00 O ATOM 447 CB GLU A 31 5.128 -2.080 0.625 1.00 0.00 C ATOM 448 CG GLU A 31 5.939 -1.972 1.918 1.00 0.00 C ATOM 449 CD GLU A 31 6.660 -3.296 2.182 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.614 -3.578 1.477 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.243 -4.003 3.084 1.00 0.00 O ATOM 0 H GLU A 31 5.908 0.200 0.631 1.00 0.00 H new ATOM 0 HA GLU A 31 6.805 -2.246 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.214 -1.492 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.828 -3.114 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.663 -1.161 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.281 -1.731 2.753 1.00 0.00 H new ATOM 458 N LEU A 32 4.356 -0.456 -1.974 1.00 0.00 N ATOM 459 CA LEU A 32 3.510 -0.324 -3.195 1.00 0.00 C ATOM 460 C LEU A 32 4.383 -0.403 -4.450 1.00 0.00 C ATOM 461 O LEU A 32 4.011 -1.000 -5.440 1.00 0.00 O ATOM 462 CB LEU A 32 2.855 1.052 -3.080 1.00 0.00 C ATOM 463 CG LEU A 32 2.128 1.381 -4.385 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.092 0.296 -4.681 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.425 2.734 -4.248 1.00 0.00 C ATOM 0 H LEU A 32 4.278 0.311 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 32 2.768 -1.119 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.152 1.064 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.610 1.810 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 32 2.849 1.426 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.574 0.531 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.592 -0.668 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.370 0.250 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.906 2.970 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.704 2.689 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.163 3.508 -4.038 1.00 0.00 H new ATOM 477 N ALA A 33 5.543 0.194 -4.415 1.00 0.00 N ATOM 478 CA ALA A 33 6.437 0.146 -5.607 1.00 0.00 C ATOM 479 C ALA A 33 6.710 -1.309 -5.993 1.00 0.00 C ATOM 480 O ALA A 33 6.676 -1.671 -7.153 1.00 0.00 O ATOM 481 CB ALA A 33 7.727 0.836 -5.163 1.00 0.00 C ATOM 0 H ALA A 33 5.909 0.711 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 33 5.998 0.632 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.439 0.841 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.508 1.862 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.155 0.298 -4.318 1.00 0.00 H new ATOM 487 N THR A 34 6.975 -2.146 -5.029 1.00 0.00 N ATOM 488 CA THR A 34 7.244 -3.579 -5.341 1.00 0.00 C ATOM 489 C THR A 34 6.000 -4.219 -5.961 1.00 0.00 C ATOM 490 O THR A 34 5.999 -4.606 -7.113 1.00 0.00 O ATOM 491 CB THR A 34 7.565 -4.229 -3.994 1.00 0.00 C ATOM 492 OG1 THR A 34 8.854 -3.812 -3.565 1.00 0.00 O ATOM 493 CG2 THR A 34 7.541 -5.750 -4.147 1.00 0.00 C ATOM 0 H THR A 34 7.017 -1.901 -4.040 1.00 0.00 H new ATOM 0 HA THR A 34 8.060 -3.702 -6.054 1.00 0.00 H new ATOM 0 HB THR A 34 6.823 -3.928 -3.255 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.061 -4.226 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.769 -6.216 -3.188 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.552 -6.067 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.284 -6.053 -4.884 1.00 0.00 H new ATOM 501 N VAL A 35 4.938 -4.329 -5.208 1.00 0.00 N ATOM 502 CA VAL A 35 3.696 -4.939 -5.763 1.00 0.00 C ATOM 503 C VAL A 35 3.435 -4.394 -7.170 1.00 0.00 C ATOM 504 O VAL A 35 2.923 -5.081 -8.031 1.00 0.00 O ATOM 505 CB VAL A 35 2.579 -4.510 -4.808 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.853 -5.075 -3.414 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.529 -2.982 -4.735 1.00 0.00 C ATOM 0 H VAL A 35 4.877 -4.024 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 35 3.766 -6.024 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 35 1.625 -4.890 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.057 -4.769 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.890 -6.163 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.808 -4.696 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.734 -2.676 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.484 -2.604 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.334 -2.577 -5.728 1.00 0.00 H new ATOM 517 N MET A 36 3.789 -3.159 -7.403 1.00 0.00 N ATOM 518 CA MET A 36 3.568 -2.555 -8.747 1.00 0.00 C ATOM 519 C MET A 36 4.323 -3.346 -9.819 1.00 0.00 C ATOM 520 O MET A 36 3.734 -3.898 -10.726 1.00 0.00 O ATOM 521 CB MET A 36 4.126 -1.134 -8.633 1.00 0.00 C ATOM 522 CG MET A 36 3.604 -0.283 -9.792 1.00 0.00 C ATOM 523 SD MET A 36 1.795 -0.239 -9.742 1.00 0.00 S ATOM 524 CE MET A 36 1.630 1.307 -8.816 1.00 0.00 C ATOM 0 H MET A 36 4.223 -2.541 -6.718 1.00 0.00 H new ATOM 0 HA MET A 36 2.517 -2.562 -9.036 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.830 -0.692 -7.682 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.216 -1.158 -8.648 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.005 0.728 -9.724 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.942 -0.697 -10.742 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.798 1.225 -8.117 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.550 1.501 -8.264 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.443 2.128 -9.508 1.00 0.00 H new ATOM 534 N ARG A 37 5.623 -3.405 -9.722 1.00 0.00 N ATOM 535 CA ARG A 37 6.413 -4.160 -10.739 1.00 0.00 C ATOM 536 C ARG A 37 6.178 -5.666 -10.586 1.00 0.00 C ATOM 537 O ARG A 37 6.449 -6.440 -11.482 1.00 0.00 O ATOM 538 CB ARG A 37 7.872 -3.814 -10.441 1.00 0.00 C ATOM 539 CG ARG A 37 8.781 -4.524 -11.446 1.00 0.00 C ATOM 540 CD ARG A 37 9.730 -5.465 -10.700 1.00 0.00 C ATOM 541 NE ARG A 37 10.883 -5.658 -11.623 1.00 0.00 N ATOM 542 CZ ARG A 37 10.789 -6.498 -12.617 1.00 0.00 C ATOM 543 NH1 ARG A 37 10.367 -7.715 -12.406 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.117 -6.120 -13.822 1.00 0.00 N ATOM 0 H ARG A 37 6.173 -2.964 -8.984 1.00 0.00 H new ATOM 0 HA ARG A 37 6.129 -3.898 -11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.020 -2.736 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.128 -4.117 -9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.181 -5.087 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.352 -3.792 -12.017 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.051 -5.033 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.245 -6.414 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 37 11.746 -5.134 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.111 -8.010 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.294 -8.371 -13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.446 -5.169 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.044 -6.776 -14.600 1.00 0.00 H new ATOM 558 N SER A 38 5.680 -6.088 -9.455 1.00 0.00 N ATOM 559 CA SER A 38 5.432 -7.542 -9.244 1.00 0.00 C ATOM 560 C SER A 38 4.273 -8.022 -10.120 1.00 0.00 C ATOM 561 O SER A 38 4.254 -9.147 -10.578 1.00 0.00 O ATOM 562 CB SER A 38 5.075 -7.672 -7.764 1.00 0.00 C ATOM 563 OG SER A 38 6.177 -8.233 -7.062 1.00 0.00 O ATOM 0 H SER A 38 5.434 -5.488 -8.668 1.00 0.00 H new ATOM 0 HA SER A 38 6.298 -8.148 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.826 -6.695 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.194 -8.303 -7.645 1.00 0.00 H new ATOM 0 HG SER A 38 5.952 -8.316 -6.112 1.00 0.00 H new ATOM 569 N LEU A 39 3.306 -7.181 -10.357 1.00 0.00 N ATOM 570 CA LEU A 39 2.151 -7.598 -11.203 1.00 0.00 C ATOM 571 C LEU A 39 2.620 -7.884 -12.633 1.00 0.00 C ATOM 572 O LEU A 39 2.038 -8.685 -13.337 1.00 0.00 O ATOM 573 CB LEU A 39 1.185 -6.411 -11.183 1.00 0.00 C ATOM 574 CG LEU A 39 0.383 -6.414 -9.878 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.730 -5.369 -9.961 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.239 -7.796 -9.658 1.00 0.00 C ATOM 0 H LEU A 39 3.264 -6.225 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 39 1.680 -8.508 -10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.740 -5.478 -11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.509 -6.467 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 39 1.048 -6.178 -9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.301 -5.371 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.292 -4.383 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.391 -5.607 -10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.809 -7.795 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.902 -8.033 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.551 -8.545 -9.598 1.00 0.00 H new ATOM 588 N GLY A 40 3.669 -7.240 -13.065 1.00 0.00 N ATOM 589 CA GLY A 40 4.171 -7.481 -14.448 1.00 0.00 C ATOM 590 C GLY A 40 4.427 -6.143 -15.143 1.00 0.00 C ATOM 591 O GLY A 40 4.210 -5.997 -16.329 1.00 0.00 O ATOM 0 H GLY A 40 4.200 -6.559 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.090 -8.066 -14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.443 -8.062 -15.014 1.00 0.00 H new ATOM 595 N LEU A 41 4.889 -5.163 -14.415 1.00 0.00 N ATOM 596 CA LEU A 41 5.161 -3.836 -15.038 1.00 0.00 C ATOM 597 C LEU A 41 6.451 -3.239 -14.471 1.00 0.00 C ATOM 598 O LEU A 41 7.093 -3.821 -13.619 1.00 0.00 O ATOM 599 CB LEU A 41 3.958 -2.966 -14.665 1.00 0.00 C ATOM 600 CG LEU A 41 3.599 -3.183 -13.194 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.106 -1.868 -12.588 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.494 -4.238 -13.091 1.00 0.00 C ATOM 0 H LEU A 41 5.090 -5.224 -13.417 1.00 0.00 H new ATOM 0 HA LEU A 41 5.292 -3.908 -16.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.188 -1.915 -14.842 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.106 -3.216 -15.298 1.00 0.00 H new ATOM 0 HG LEU A 41 4.481 -3.524 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.850 -2.024 -11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.892 -1.116 -12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.224 -1.526 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.237 -4.394 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.613 -3.896 -13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.845 -5.176 -13.522 1.00 0.00 H new ATOM 614 N SER A 42 6.837 -2.084 -14.938 1.00 0.00 N ATOM 615 CA SER A 42 8.087 -1.453 -14.427 1.00 0.00 C ATOM 616 C SER A 42 8.185 -0.004 -14.913 1.00 0.00 C ATOM 617 O SER A 42 8.781 0.269 -15.936 1.00 0.00 O ATOM 618 CB SER A 42 9.223 -2.292 -15.010 1.00 0.00 C ATOM 619 OG SER A 42 10.107 -2.676 -13.965 1.00 0.00 O ATOM 0 H SER A 42 6.341 -1.550 -15.651 1.00 0.00 H new ATOM 0 HA SER A 42 8.120 -1.425 -13.338 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.821 -3.176 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.762 -1.721 -15.766 1.00 0.00 H new ATOM 0 HG SER A 42 10.836 -3.216 -14.335 1.00 0.00 H new ATOM 625 N PRO A 43 7.594 0.878 -14.154 1.00 0.00 N ATOM 626 CA PRO A 43 7.611 2.320 -14.505 1.00 0.00 C ATOM 627 C PRO A 43 9.006 2.910 -14.271 1.00 0.00 C ATOM 628 O PRO A 43 9.989 2.199 -14.216 1.00 0.00 O ATOM 629 CB PRO A 43 6.592 2.932 -13.547 1.00 0.00 C ATOM 630 CG PRO A 43 6.543 1.994 -12.384 1.00 0.00 C ATOM 631 CD PRO A 43 6.861 0.619 -12.911 1.00 0.00 C ATOM 0 HA PRO A 43 7.373 2.511 -15.551 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.894 3.932 -13.235 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.614 3.027 -14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.262 2.290 -11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.558 2.010 -11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.463 0.049 -12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.955 0.042 -13.095 1.00 0.00 H new ATOM 639 N SER A 44 9.098 4.204 -14.135 1.00 0.00 N ATOM 640 CA SER A 44 10.429 4.837 -13.906 1.00 0.00 C ATOM 641 C SER A 44 10.339 5.870 -12.781 1.00 0.00 C ATOM 642 O SER A 44 9.267 6.205 -12.317 1.00 0.00 O ATOM 643 CB SER A 44 10.777 5.515 -15.230 1.00 0.00 C ATOM 644 OG SER A 44 10.126 4.832 -16.294 1.00 0.00 O ATOM 0 H SER A 44 8.310 4.851 -14.172 1.00 0.00 H new ATOM 0 HA SER A 44 11.185 4.111 -13.608 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.466 6.560 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.856 5.506 -15.383 1.00 0.00 H new ATOM 0 HG SER A 44 10.346 5.266 -17.145 1.00 0.00 H new ATOM 650 N GLU A 45 11.456 6.377 -12.337 1.00 0.00 N ATOM 651 CA GLU A 45 11.434 7.389 -11.242 1.00 0.00 C ATOM 652 C GLU A 45 10.325 8.414 -11.494 1.00 0.00 C ATOM 653 O GLU A 45 9.387 8.528 -10.729 1.00 0.00 O ATOM 654 CB GLU A 45 12.807 8.060 -11.292 1.00 0.00 C ATOM 655 CG GLU A 45 13.686 7.508 -10.170 1.00 0.00 C ATOM 656 CD GLU A 45 15.159 7.743 -10.512 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.428 8.632 -11.303 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.992 7.029 -9.977 1.00 0.00 O ATOM 0 H GLU A 45 12.384 6.134 -12.685 1.00 0.00 H new ATOM 0 HA GLU A 45 11.237 6.940 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.277 7.879 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.700 9.140 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.439 7.995 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.498 6.443 -10.037 1.00 0.00 H new ATOM 665 N ALA A 46 10.425 9.161 -12.559 1.00 0.00 N ATOM 666 CA ALA A 46 9.375 10.176 -12.858 1.00 0.00 C ATOM 667 C ALA A 46 7.984 9.586 -12.610 1.00 0.00 C ATOM 668 O ALA A 46 7.192 10.128 -11.866 1.00 0.00 O ATOM 669 CB ALA A 46 9.558 10.513 -14.339 1.00 0.00 C ATOM 0 H ALA A 46 11.188 9.113 -13.235 1.00 0.00 H new ATOM 0 HA ALA A 46 9.463 11.059 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.819 11.257 -14.637 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.560 10.912 -14.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.426 9.611 -14.936 1.00 0.00 H new ATOM 675 N GLU A 47 7.684 8.474 -13.225 1.00 0.00 N ATOM 676 CA GLU A 47 6.347 7.847 -13.021 1.00 0.00 C ATOM 677 C GLU A 47 6.087 7.641 -11.527 1.00 0.00 C ATOM 678 O GLU A 47 4.963 7.698 -11.068 1.00 0.00 O ATOM 679 CB GLU A 47 6.425 6.503 -13.743 1.00 0.00 C ATOM 680 CG GLU A 47 5.231 6.361 -14.690 1.00 0.00 C ATOM 681 CD GLU A 47 5.730 6.285 -16.134 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.866 6.664 -16.368 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.967 5.851 -16.981 1.00 0.00 O ATOM 0 H GLU A 47 8.306 7.973 -13.859 1.00 0.00 H new ATOM 0 HA GLU A 47 5.536 8.466 -13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.357 6.433 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.427 5.689 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.662 5.464 -14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.557 7.209 -14.571 1.00 0.00 H new ATOM 690 N VAL A 48 7.119 7.403 -10.765 1.00 0.00 N ATOM 691 CA VAL A 48 6.933 7.195 -9.299 1.00 0.00 C ATOM 692 C VAL A 48 6.663 8.533 -8.607 1.00 0.00 C ATOM 693 O VAL A 48 5.740 8.666 -7.830 1.00 0.00 O ATOM 694 CB VAL A 48 8.253 6.597 -8.813 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.058 5.999 -7.418 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.704 5.498 -9.779 1.00 0.00 C ATOM 0 H VAL A 48 8.083 7.343 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 48 6.086 6.546 -9.078 1.00 0.00 H new ATOM 0 HB VAL A 48 9.012 7.378 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.999 5.572 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.737 6.780 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.299 5.218 -7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.645 5.072 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.945 4.716 -9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.843 5.922 -10.773 1.00 0.00 H new ATOM 706 N ASN A 49 7.463 9.526 -8.886 1.00 0.00 N ATOM 707 CA ASN A 49 7.253 10.856 -8.244 1.00 0.00 C ATOM 708 C ASN A 49 5.779 11.259 -8.334 1.00 0.00 C ATOM 709 O ASN A 49 5.189 11.711 -7.374 1.00 0.00 O ATOM 710 CB ASN A 49 8.125 11.824 -9.046 1.00 0.00 C ATOM 711 CG ASN A 49 8.760 12.843 -8.098 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.385 13.999 -8.092 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.713 12.462 -7.294 1.00 0.00 N ATOM 0 H ASN A 49 8.252 9.474 -9.530 1.00 0.00 H new ATOM 0 HA ASN A 49 7.516 10.851 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.901 11.275 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.523 12.336 -9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.144 13.134 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.027 11.492 -7.299 1.00 0.00 H new ATOM 720 N ASP A 50 5.180 11.100 -9.483 1.00 0.00 N ATOM 721 CA ASP A 50 3.744 11.475 -9.634 1.00 0.00 C ATOM 722 C ASP A 50 2.853 10.445 -8.934 1.00 0.00 C ATOM 723 O ASP A 50 1.979 10.787 -8.164 1.00 0.00 O ATOM 724 CB ASP A 50 3.490 11.469 -11.141 1.00 0.00 C ATOM 725 CG ASP A 50 2.419 12.507 -11.482 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.531 12.702 -10.667 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.503 13.087 -12.552 1.00 0.00 O ATOM 0 H ASP A 50 5.622 10.727 -10.323 1.00 0.00 H new ATOM 0 HA ASP A 50 3.520 12.444 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.412 11.693 -11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.167 10.479 -11.462 1.00 0.00 H new ATOM 732 N LEU A 51 3.068 9.185 -9.197 1.00 0.00 N ATOM 733 CA LEU A 51 2.232 8.134 -8.547 1.00 0.00 C ATOM 734 C LEU A 51 2.198 8.349 -7.032 1.00 0.00 C ATOM 735 O LEU A 51 1.161 8.254 -6.405 1.00 0.00 O ATOM 736 CB LEU A 51 2.924 6.814 -8.886 1.00 0.00 C ATOM 737 CG LEU A 51 2.347 6.255 -10.187 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.431 5.472 -10.932 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.177 5.322 -9.866 1.00 0.00 C ATOM 0 H LEU A 51 3.786 8.837 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 51 1.199 8.154 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.998 6.970 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.783 6.098 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 51 1.998 7.077 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.020 5.074 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.266 6.134 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.780 4.650 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.765 4.923 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.528 4.500 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.404 5.877 -9.335 1.00 0.00 H new ATOM 751 N MET A 52 3.323 8.639 -6.438 1.00 0.00 N ATOM 752 CA MET A 52 3.353 8.859 -4.963 1.00 0.00 C ATOM 753 C MET A 52 2.757 10.227 -4.621 1.00 0.00 C ATOM 754 O MET A 52 1.892 10.344 -3.777 1.00 0.00 O ATOM 755 CB MET A 52 4.834 8.810 -4.585 1.00 0.00 C ATOM 756 CG MET A 52 5.127 7.506 -3.838 1.00 0.00 C ATOM 757 SD MET A 52 5.488 6.194 -5.032 1.00 0.00 S ATOM 758 CE MET A 52 4.294 4.986 -4.408 1.00 0.00 C ATOM 0 H MET A 52 4.223 8.733 -6.909 1.00 0.00 H new ATOM 0 HA MET A 52 2.770 8.114 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.451 8.875 -5.481 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.089 9.665 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.973 7.642 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.272 7.227 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.217 4.155 -5.109 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.626 4.614 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.319 5.461 -4.300 1.00 0.00 H new ATOM 768 N ASN A 53 3.214 11.263 -5.270 1.00 0.00 N ATOM 769 CA ASN A 53 2.672 12.622 -4.979 1.00 0.00 C ATOM 770 C ASN A 53 1.141 12.584 -4.926 1.00 0.00 C ATOM 771 O ASN A 53 0.511 13.421 -4.312 1.00 0.00 O ATOM 772 CB ASN A 53 3.147 13.494 -6.142 1.00 0.00 C ATOM 773 CG ASN A 53 4.304 14.379 -5.677 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.558 14.497 -4.495 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.023 15.011 -6.564 1.00 0.00 N ATOM 0 H ASN A 53 3.938 11.228 -5.988 1.00 0.00 H new ATOM 0 HA ASN A 53 3.012 13.004 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.467 12.866 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.326 14.112 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.797 15.603 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.811 14.913 -7.557 1.00 0.00 H new ATOM 782 N GLU A 54 0.539 11.620 -5.567 1.00 0.00 N ATOM 783 CA GLU A 54 -0.951 11.533 -5.554 1.00 0.00 C ATOM 784 C GLU A 54 -1.424 10.655 -4.392 1.00 0.00 C ATOM 785 O GLU A 54 -2.594 10.354 -4.268 1.00 0.00 O ATOM 786 CB GLU A 54 -1.321 10.893 -6.893 1.00 0.00 C ATOM 787 CG GLU A 54 -1.908 11.957 -7.821 1.00 0.00 C ATOM 788 CD GLU A 54 -0.817 12.476 -8.760 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.646 11.891 -9.817 1.00 0.00 O ATOM 790 OE2 GLU A 54 -0.171 13.448 -8.405 1.00 0.00 O ATOM 0 H GLU A 54 1.012 10.889 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.419 12.509 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.439 10.443 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.043 10.092 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.730 11.536 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.319 12.779 -7.235 1.00 0.00 H new ATOM 797 N ILE A 55 -0.527 10.242 -3.538 1.00 0.00 N ATOM 798 CA ILE A 55 -0.935 9.385 -2.388 1.00 0.00 C ATOM 799 C ILE A 55 0.096 9.478 -1.259 1.00 0.00 C ATOM 800 O ILE A 55 -0.247 9.587 -0.099 1.00 0.00 O ATOM 801 CB ILE A 55 -0.987 7.965 -2.951 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.473 7.002 -1.864 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.409 7.545 -3.413 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.329 5.561 -2.355 1.00 0.00 C ATOM 0 H ILE A 55 0.468 10.460 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.892 9.693 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.673 7.937 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.895 7.146 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.514 7.211 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.370 6.532 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.757 8.229 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.096 7.574 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.675 4.876 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.927 5.422 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.282 5.356 -2.579 1.00 0.00 H new ATOM 816 N ASP A 56 1.358 9.436 -1.591 1.00 0.00 N ATOM 817 CA ASP A 56 2.409 9.523 -0.535 1.00 0.00 C ATOM 818 C ASP A 56 2.197 10.773 0.322 1.00 0.00 C ATOM 819 O ASP A 56 2.205 10.714 1.536 1.00 0.00 O ATOM 820 CB ASP A 56 3.730 9.613 -1.299 1.00 0.00 C ATOM 821 CG ASP A 56 4.852 10.004 -0.335 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.799 11.104 0.190 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.745 9.197 -0.138 1.00 0.00 O ATOM 0 H ASP A 56 1.707 9.345 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 56 2.387 8.669 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.957 8.656 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.650 10.349 -2.099 1.00 0.00 H new ATOM 828 N VAL A 57 2.009 11.905 -0.299 1.00 0.00 N ATOM 829 CA VAL A 57 1.798 13.158 0.481 1.00 0.00 C ATOM 830 C VAL A 57 2.964 13.384 1.446 1.00 0.00 C ATOM 831 O VAL A 57 3.901 14.097 1.146 1.00 0.00 O ATOM 832 CB VAL A 57 0.498 12.929 1.254 1.00 0.00 C ATOM 833 CG1 VAL A 57 0.255 14.104 2.203 1.00 0.00 C ATOM 834 CG2 VAL A 57 -0.668 12.819 0.270 1.00 0.00 C ATOM 0 H VAL A 57 1.992 12.017 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 57 1.742 14.038 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 57 0.576 12.007 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.671 13.941 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.085 14.183 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.177 15.026 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.595 12.656 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.746 13.741 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.496 11.982 -0.406 1.00 0.00 H new ATOM 844 N ASP A 58 2.915 12.781 2.603 1.00 0.00 N ATOM 845 CA ASP A 58 4.024 12.963 3.585 1.00 0.00 C ATOM 846 C ASP A 58 5.239 12.129 3.170 1.00 0.00 C ATOM 847 O ASP A 58 6.238 12.654 2.719 1.00 0.00 O ATOM 848 CB ASP A 58 3.458 12.463 4.914 1.00 0.00 C ATOM 849 CG ASP A 58 3.474 13.602 5.936 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.299 14.739 5.528 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.660 13.319 7.108 1.00 0.00 O ATOM 0 H ASP A 58 2.157 12.172 2.911 1.00 0.00 H new ATOM 0 HA ASP A 58 4.357 13.999 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.440 12.100 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.049 11.623 5.280 1.00 0.00 H new ATOM 856 N GLY A 59 5.162 10.834 3.319 1.00 0.00 N ATOM 857 CA GLY A 59 6.313 9.970 2.935 1.00 0.00 C ATOM 858 C GLY A 59 6.014 8.520 3.316 1.00 0.00 C ATOM 859 O GLY A 59 5.881 7.659 2.468 1.00 0.00 O ATOM 0 H GLY A 59 4.352 10.338 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.495 10.045 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.219 10.309 3.437 1.00 0.00 H new ATOM 863 N ASN A 60 5.906 8.241 4.586 1.00 0.00 N ATOM 864 CA ASN A 60 5.614 6.844 5.020 1.00 0.00 C ATOM 865 C ASN A 60 4.137 6.706 5.402 1.00 0.00 C ATOM 866 O ASN A 60 3.798 6.525 6.554 1.00 0.00 O ATOM 867 CB ASN A 60 6.507 6.613 6.239 1.00 0.00 C ATOM 868 CG ASN A 60 7.939 7.041 5.913 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.501 6.614 4.925 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.555 7.873 6.706 1.00 0.00 N ATOM 0 H ASN A 60 6.007 8.919 5.342 1.00 0.00 H new ATOM 0 HA ASN A 60 5.807 6.118 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.132 7.181 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.487 5.561 6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.509 8.165 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.082 8.231 7.536 1.00 0.00 H new ATOM 877 N HIS A 61 3.257 6.794 4.442 1.00 0.00 N ATOM 878 CA HIS A 61 1.803 6.668 4.751 1.00 0.00 C ATOM 879 C HIS A 61 1.356 5.210 4.616 1.00 0.00 C ATOM 880 O HIS A 61 2.042 4.391 4.037 1.00 0.00 O ATOM 881 CB HIS A 61 1.102 7.542 3.710 1.00 0.00 C ATOM 882 CG HIS A 61 1.179 6.880 2.362 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.071 5.852 2.093 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.483 7.085 1.197 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.890 5.482 0.812 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.934 6.202 0.219 1.00 0.00 N ATOM 0 H HIS A 61 3.481 6.947 3.459 1.00 0.00 H new ATOM 0 HA HIS A 61 1.569 6.977 5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.060 7.696 3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.571 8.525 3.671 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.742 5.450 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.296 7.820 1.059 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.450 4.698 0.323 1.00 0.00 H new ATOM 894 N GLN A 62 0.210 4.880 5.145 1.00 0.00 N ATOM 895 CA GLN A 62 -0.282 3.476 5.046 1.00 0.00 C ATOM 896 C GLN A 62 -1.220 3.329 3.847 1.00 0.00 C ATOM 897 O GLN A 62 -2.357 3.757 3.879 1.00 0.00 O ATOM 898 CB GLN A 62 -1.037 3.227 6.352 1.00 0.00 C ATOM 899 CG GLN A 62 -0.040 3.127 7.509 1.00 0.00 C ATOM 900 CD GLN A 62 -0.171 4.360 8.404 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.795 5.334 8.030 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.395 4.361 9.580 1.00 0.00 N ATOM 0 H GLN A 62 -0.408 5.522 5.642 1.00 0.00 H new ATOM 0 HA GLN A 62 0.530 2.763 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.743 4.037 6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.618 2.308 6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.228 2.223 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.976 3.052 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.919 3.544 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.314 5.179 10.184 1.00 0.00 H new ATOM 911 N ILE A 63 -0.753 2.729 2.786 1.00 0.00 N ATOM 912 CA ILE A 63 -1.618 2.558 1.583 1.00 0.00 C ATOM 913 C ILE A 63 -2.689 1.496 1.846 1.00 0.00 C ATOM 914 O ILE A 63 -2.608 0.738 2.793 1.00 0.00 O ATOM 915 CB ILE A 63 -0.670 2.098 0.477 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.385 3.179 0.230 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.462 1.855 -0.808 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.266 2.772 -0.952 1.00 0.00 C ATOM 0 H ILE A 63 0.190 2.350 2.700 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.141 3.477 1.318 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.180 1.173 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.099 4.134 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.996 3.316 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.785 1.527 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.214 1.086 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.953 2.779 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.017 3.542 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.761 1.827 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.649 2.657 -1.843 1.00 0.00 H new ATOM 930 N GLU A 64 -3.692 1.437 1.014 1.00 0.00 N ATOM 931 CA GLU A 64 -4.768 0.424 1.213 1.00 0.00 C ATOM 932 C GLU A 64 -5.027 -0.331 -0.094 1.00 0.00 C ATOM 933 O GLU A 64 -5.204 0.263 -1.139 1.00 0.00 O ATOM 934 CB GLU A 64 -6.001 1.230 1.621 1.00 0.00 C ATOM 935 CG GLU A 64 -5.929 1.555 3.114 1.00 0.00 C ATOM 936 CD GLU A 64 -7.170 2.349 3.525 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.938 2.707 2.646 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.331 2.587 4.710 1.00 0.00 O ATOM 0 H GLU A 64 -3.814 2.046 0.205 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.503 -0.320 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.055 2.151 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.907 0.663 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.865 0.635 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.029 2.131 3.328 1.00 0.00 H new ATOM 945 N PHE A 65 -5.048 -1.635 -0.043 1.00 0.00 N ATOM 946 CA PHE A 65 -5.294 -2.425 -1.284 1.00 0.00 C ATOM 947 C PHE A 65 -6.420 -1.788 -2.103 1.00 0.00 C ATOM 948 O PHE A 65 -6.365 -1.735 -3.316 1.00 0.00 O ATOM 949 CB PHE A 65 -5.705 -3.813 -0.795 1.00 0.00 C ATOM 950 CG PHE A 65 -5.850 -4.740 -1.978 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.815 -4.846 -2.915 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.019 -5.492 -2.139 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.949 -5.704 -4.012 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.154 -6.351 -3.237 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.119 -6.457 -4.173 1.00 0.00 C ATOM 0 H PHE A 65 -4.906 -2.187 0.803 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.416 -2.464 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.958 -4.203 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.646 -3.754 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.913 -4.265 -2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.817 -5.410 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.150 -5.786 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.056 -6.931 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.222 -7.120 -5.020 1.00 0.00 H new ATOM 965 N SER A 66 -7.441 -1.305 -1.450 1.00 0.00 N ATOM 966 CA SER A 66 -8.569 -0.672 -2.194 1.00 0.00 C ATOM 967 C SER A 66 -8.057 0.506 -3.027 1.00 0.00 C ATOM 968 O SER A 66 -7.827 0.386 -4.214 1.00 0.00 O ATOM 969 CB SER A 66 -9.532 -0.186 -1.113 1.00 0.00 C ATOM 970 OG SER A 66 -10.300 -1.285 -0.640 1.00 0.00 O ATOM 0 H SER A 66 -7.544 -1.321 -0.435 1.00 0.00 H new ATOM 0 HA SER A 66 -9.049 -1.365 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.976 0.265 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.189 0.585 -1.515 1.00 0.00 H new ATOM 0 HG SER A 66 -10.918 -0.977 0.055 1.00 0.00 H new ATOM 976 N GLU A 67 -7.875 1.643 -2.414 1.00 0.00 N ATOM 977 CA GLU A 67 -7.377 2.827 -3.172 1.00 0.00 C ATOM 978 C GLU A 67 -6.195 2.426 -4.059 1.00 0.00 C ATOM 979 O GLU A 67 -6.098 2.829 -5.201 1.00 0.00 O ATOM 980 CB GLU A 67 -6.931 3.825 -2.103 1.00 0.00 C ATOM 981 CG GLU A 67 -5.710 3.272 -1.366 1.00 0.00 C ATOM 982 CD GLU A 67 -5.411 4.144 -0.145 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.103 5.133 0.035 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.496 3.810 0.588 1.00 0.00 O ATOM 0 H GLU A 67 -8.049 1.804 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.139 3.248 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.688 4.783 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.743 4.007 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.895 2.244 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.848 3.253 -2.032 1.00 0.00 H new ATOM 991 N PHE A 68 -5.297 1.633 -3.542 1.00 0.00 N ATOM 992 CA PHE A 68 -4.123 1.206 -4.356 1.00 0.00 C ATOM 993 C PHE A 68 -4.571 0.836 -5.773 1.00 0.00 C ATOM 994 O PHE A 68 -4.148 1.431 -6.745 1.00 0.00 O ATOM 995 CB PHE A 68 -3.564 -0.019 -3.631 1.00 0.00 C ATOM 996 CG PHE A 68 -2.626 -0.769 -4.547 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.925 -0.083 -5.547 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.458 -2.151 -4.398 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.057 -0.779 -6.395 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.589 -2.847 -5.246 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.888 -2.161 -6.246 1.00 0.00 C ATOM 0 H PHE A 68 -5.325 1.262 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.378 1.995 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.037 0.290 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.379 -0.671 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.055 0.983 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.999 -2.680 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.516 -0.250 -7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.459 -3.913 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.218 -2.697 -6.901 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.425 -0.142 -5.898 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.900 -0.549 -7.252 1.00 0.00 C ATOM 1013 C LEU A 69 -6.905 0.473 -7.790 1.00 0.00 C ATOM 1014 O LEU A 69 -6.867 0.846 -8.945 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.574 -1.906 -7.043 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.570 -3.024 -7.332 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.253 -2.730 -6.613 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.133 -4.356 -6.832 1.00 0.00 C ATOM 0 H LEU A 69 -5.815 -0.677 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.087 -0.605 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.941 -1.988 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.438 -2.000 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.393 -3.081 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.539 -3.528 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.849 -1.781 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.430 -2.671 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.418 -5.153 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.311 -4.296 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.072 -4.569 -7.344 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.803 0.930 -6.961 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.807 1.928 -7.427 1.00 0.00 C ATOM 1032 C ALA A 70 -8.118 3.031 -8.236 1.00 0.00 C ATOM 1033 O ALA A 70 -8.723 3.672 -9.072 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.419 2.502 -6.149 1.00 0.00 C ATOM 0 H ALA A 70 -7.885 0.656 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.562 1.483 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.171 3.247 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.886 1.700 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.638 2.968 -5.549 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.856 3.256 -7.991 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.127 4.317 -8.745 1.00 0.00 C ATOM 1042 C LEU A 71 -5.158 3.682 -9.747 1.00 0.00 C ATOM 1043 O LEU A 71 -4.858 4.249 -10.779 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.361 5.102 -7.682 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.282 6.155 -7.062 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.555 5.480 -6.548 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.562 6.837 -5.896 1.00 0.00 C ATOM 0 H LEU A 71 -6.298 2.752 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.801 4.956 -9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.993 4.426 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.490 5.582 -8.127 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.543 6.899 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.211 6.230 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.068 4.992 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.294 4.737 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.217 7.588 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.302 6.093 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.654 7.317 -6.260 1.00 0.00 H new ATOM 1059 N MET A 72 -4.667 2.511 -9.450 1.00 0.00 N ATOM 1060 CA MET A 72 -3.717 1.841 -10.386 1.00 0.00 C ATOM 1061 C MET A 72 -4.452 1.390 -11.651 1.00 0.00 C ATOM 1062 O MET A 72 -3.843 1.022 -12.636 1.00 0.00 O ATOM 1063 CB MET A 72 -3.186 0.634 -9.614 1.00 0.00 C ATOM 1064 CG MET A 72 -1.659 0.704 -9.543 1.00 0.00 C ATOM 1065 SD MET A 72 -0.983 0.850 -11.214 1.00 0.00 S ATOM 1066 CE MET A 72 -0.816 -0.922 -11.546 1.00 0.00 C ATOM 0 H MET A 72 -4.881 1.988 -8.601 1.00 0.00 H new ATOM 0 HA MET A 72 -2.914 2.505 -10.706 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.607 0.618 -8.609 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.496 -0.289 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.351 1.558 -8.939 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.266 -0.189 -9.057 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.081 -1.098 -12.140 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.738 -1.463 -10.603 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.690 -1.273 -12.095 1.00 0.00 H new ATOM 1076 N SER A 73 -5.756 1.415 -11.633 1.00 0.00 N ATOM 1077 CA SER A 73 -6.528 0.987 -12.835 1.00 0.00 C ATOM 1078 C SER A 73 -6.596 2.127 -13.854 1.00 0.00 C ATOM 1079 O SER A 73 -7.299 2.049 -14.841 1.00 0.00 O ATOM 1080 CB SER A 73 -7.923 0.651 -12.312 1.00 0.00 C ATOM 1081 OG SER A 73 -7.900 -0.634 -11.704 1.00 0.00 O ATOM 0 H SER A 73 -6.321 1.713 -10.838 1.00 0.00 H new ATOM 0 HA SER A 73 -6.068 0.138 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.244 1.402 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.644 0.666 -13.129 1.00 0.00 H new ATOM 0 HG SER A 73 -8.794 -0.852 -11.366 1.00 0.00 H new