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 Set 1.1: A 36 MET CE :methyl -158:sc= 0 (180deg=-0.406) USER MOD Set 1.2: A 72 MET CE :methyl -108:sc= -0.508 (180deg=-1.13) USER MOD Set 2.1: A 24 ASN : amide:sc= -4.42! C(o=-6!,f=-20!) USER MOD Set 2.2: A 26 SER OG : rot -10:sc= -1.62! USER MOD Single : A 5 THR OG1 : rot 28:sc= 0.86 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.535 K(o=-0.54,f=1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.793 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 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.0872 (180deg=-0.336) USER MOD Single : A 53 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= -0.799! C(o=-0.8!,f=-6.6!) USER MOD Single : A 61 HIS : no HE2:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 62 GLN : amide:sc= 0.00392 K(o=0.0039,f=-1.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -111:sc= 0.164 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.391 -7.671 -14.393 1.00 0.00 N ATOM 59 CA THR A 5 -11.329 -8.826 -14.291 1.00 0.00 C ATOM 60 C THR A 5 -11.254 -9.450 -12.895 1.00 0.00 C ATOM 61 O THR A 5 -10.438 -9.070 -12.078 1.00 0.00 O ATOM 62 CB THR A 5 -10.849 -9.822 -15.350 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.064 -9.139 -16.316 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.056 -10.466 -16.032 1.00 0.00 C ATOM 0 HA THR A 5 -12.366 -8.529 -14.450 1.00 0.00 H new ATOM 0 HB THR A 5 -10.248 -10.598 -14.875 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.644 -8.356 -15.902 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.713 -11.175 -16.786 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.657 -10.989 -15.289 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.660 -9.694 -16.509 1.00 0.00 H new ATOM 72 N GLU A 6 -12.098 -10.405 -12.614 1.00 0.00 N ATOM 73 CA GLU A 6 -12.074 -11.050 -11.270 1.00 0.00 C ATOM 74 C GLU A 6 -10.706 -11.689 -11.014 1.00 0.00 C ATOM 75 O GLU A 6 -10.132 -11.544 -9.952 1.00 0.00 O ATOM 76 CB GLU A 6 -13.168 -12.118 -11.320 1.00 0.00 C ATOM 77 CG GLU A 6 -12.881 -13.095 -12.462 1.00 0.00 C ATOM 78 CD GLU A 6 -14.173 -13.814 -12.855 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.030 -13.960 -12.000 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.282 -14.206 -14.006 1.00 0.00 O ATOM 0 H GLU A 6 -12.803 -10.767 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.244 -10.334 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.210 -12.654 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.141 -11.649 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.475 -12.559 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.128 -13.820 -12.154 1.00 0.00 H new ATOM 87 N GLU A 7 -10.178 -12.393 -11.978 1.00 0.00 N ATOM 88 CA GLU A 7 -8.846 -13.034 -11.785 1.00 0.00 C ATOM 89 C GLU A 7 -7.760 -11.962 -11.684 1.00 0.00 C ATOM 90 O GLU A 7 -6.830 -12.076 -10.911 1.00 0.00 O ATOM 91 CB GLU A 7 -8.635 -13.897 -13.030 1.00 0.00 C ATOM 92 CG GLU A 7 -8.382 -15.346 -12.611 1.00 0.00 C ATOM 93 CD GLU A 7 -9.139 -16.289 -13.548 1.00 0.00 C ATOM 94 OE1 GLU A 7 -9.562 -15.835 -14.598 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.284 -17.449 -13.198 1.00 0.00 O ATOM 0 H GLU A 7 -10.610 -12.552 -12.888 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.799 -13.625 -10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.511 -13.842 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.790 -13.521 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.314 -15.564 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.708 -15.500 -11.582 1.00 0.00 H new ATOM 102 N GLN A 8 -7.874 -10.916 -12.456 1.00 0.00 N ATOM 103 CA GLN A 8 -6.851 -9.834 -12.397 1.00 0.00 C ATOM 104 C GLN A 8 -6.807 -9.238 -10.988 1.00 0.00 C ATOM 105 O GLN A 8 -5.783 -9.240 -10.334 1.00 0.00 O ATOM 106 CB GLN A 8 -7.319 -8.789 -13.411 1.00 0.00 C ATOM 107 CG GLN A 8 -6.104 -8.062 -13.992 1.00 0.00 C ATOM 108 CD GLN A 8 -6.335 -7.791 -15.479 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.049 -6.876 -15.839 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.756 -8.554 -16.366 1.00 0.00 N ATOM 0 H GLN A 8 -8.630 -10.764 -13.124 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.848 -10.195 -12.624 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.885 -9.269 -14.209 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.988 -8.075 -12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.940 -7.124 -13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.207 -8.666 -13.857 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.157 -9.322 -16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.903 -8.382 -17.361 1.00 0.00 H new ATOM 119 N ILE A 9 -7.915 -8.736 -10.512 1.00 0.00 N ATOM 120 CA ILE A 9 -7.936 -8.151 -9.143 1.00 0.00 C ATOM 121 C ILE A 9 -7.377 -9.163 -8.141 1.00 0.00 C ATOM 122 O ILE A 9 -6.726 -8.809 -7.179 1.00 0.00 O ATOM 123 CB ILE A 9 -9.409 -7.865 -8.853 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.951 -6.881 -9.893 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.548 -7.257 -7.457 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.371 -6.462 -9.509 1.00 0.00 C ATOM 0 H ILE A 9 -8.804 -8.706 -11.012 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.328 -7.249 -9.065 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.975 -8.795 -8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.305 -6.005 -9.951 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.951 -7.343 -10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.599 -7.054 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.162 -7.957 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.982 -6.327 -7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.756 -5.761 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.013 -7.342 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.357 -5.983 -8.530 1.00 0.00 H new ATOM 138 N ALA A 10 -7.624 -10.426 -8.366 1.00 0.00 N ATOM 139 CA ALA A 10 -7.106 -11.466 -7.434 1.00 0.00 C ATOM 140 C ALA A 10 -5.578 -11.394 -7.372 1.00 0.00 C ATOM 141 O ALA A 10 -4.992 -11.326 -6.309 1.00 0.00 O ATOM 142 CB ALA A 10 -7.557 -12.797 -8.037 1.00 0.00 C ATOM 0 H ALA A 10 -8.163 -10.781 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.475 -11.336 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.213 -13.617 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.645 -12.818 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.135 -12.906 -9.036 1.00 0.00 H new ATOM 148 N GLU A 11 -4.929 -11.404 -8.503 1.00 0.00 N ATOM 149 CA GLU A 11 -3.439 -11.331 -8.508 1.00 0.00 C ATOM 150 C GLU A 11 -2.979 -10.058 -7.796 1.00 0.00 C ATOM 151 O GLU A 11 -1.929 -10.021 -7.186 1.00 0.00 O ATOM 152 CB GLU A 11 -3.049 -11.291 -9.986 1.00 0.00 C ATOM 153 CG GLU A 11 -2.968 -12.718 -10.531 1.00 0.00 C ATOM 154 CD GLU A 11 -2.963 -12.680 -12.061 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.016 -12.444 -12.631 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.908 -12.889 -12.636 1.00 0.00 O ATOM 0 H GLU A 11 -5.364 -11.459 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.978 -12.173 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.782 -10.716 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.089 -10.789 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.065 -13.208 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.815 -13.304 -10.174 1.00 0.00 H new ATOM 163 N PHE A 12 -3.761 -9.014 -7.864 1.00 0.00 N ATOM 164 CA PHE A 12 -3.370 -7.746 -7.185 1.00 0.00 C ATOM 165 C PHE A 12 -3.377 -7.943 -5.668 1.00 0.00 C ATOM 166 O PHE A 12 -2.468 -7.532 -4.974 1.00 0.00 O ATOM 167 CB PHE A 12 -4.435 -6.729 -7.597 1.00 0.00 C ATOM 168 CG PHE A 12 -4.129 -6.204 -8.981 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.956 -7.094 -10.047 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.023 -4.825 -9.196 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.676 -6.605 -11.328 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.745 -4.336 -10.478 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.571 -5.226 -11.544 1.00 0.00 C ATOM 0 H PHE A 12 -4.652 -8.985 -8.360 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.368 -7.419 -7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.421 -7.194 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.461 -5.906 -6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.039 -8.158 -9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.156 -4.138 -8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.541 -7.292 -12.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.665 -3.272 -10.644 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.356 -4.849 -12.533 1.00 0.00 H new ATOM 183 N LYS A 13 -4.396 -8.575 -5.148 1.00 0.00 N ATOM 184 CA LYS A 13 -4.459 -8.802 -3.675 1.00 0.00 C ATOM 185 C LYS A 13 -3.224 -9.578 -3.214 1.00 0.00 C ATOM 186 O LYS A 13 -2.528 -9.172 -2.304 1.00 0.00 O ATOM 187 CB LYS A 13 -5.727 -9.630 -3.457 1.00 0.00 C ATOM 188 CG LYS A 13 -6.618 -8.933 -2.428 1.00 0.00 C ATOM 189 CD LYS A 13 -7.013 -9.929 -1.335 1.00 0.00 C ATOM 190 CE LYS A 13 -5.755 -10.423 -0.617 1.00 0.00 C ATOM 191 NZ LYS A 13 -5.977 -11.882 -0.412 1.00 0.00 N ATOM 0 H LYS A 13 -5.186 -8.943 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.481 -7.870 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.264 -9.748 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.466 -10.630 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.091 -8.086 -1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.510 -8.537 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.689 -9.455 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.550 -10.771 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.862 -10.240 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.615 -9.908 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.156 -12.293 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.830 -12.026 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.101 -12.347 -1.334 1.00 0.00 H new ATOM 205 N GLU A 14 -2.943 -10.690 -3.837 1.00 0.00 N ATOM 206 CA GLU A 14 -1.749 -11.486 -3.435 1.00 0.00 C ATOM 207 C GLU A 14 -0.505 -10.593 -3.429 1.00 0.00 C ATOM 208 O GLU A 14 0.343 -10.699 -2.565 1.00 0.00 O ATOM 209 CB GLU A 14 -1.622 -12.577 -4.499 1.00 0.00 C ATOM 210 CG GLU A 14 -2.732 -13.612 -4.303 1.00 0.00 C ATOM 211 CD GLU A 14 -2.651 -14.187 -2.887 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.619 -14.744 -2.553 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.623 -14.059 -2.161 1.00 0.00 O ATOM 0 H GLU A 14 -3.488 -11.081 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.847 -11.906 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.690 -12.139 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.646 -13.057 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.706 -13.151 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.632 -14.411 -5.038 1.00 0.00 H new ATOM 220 N ALA A 15 -0.394 -9.713 -4.386 1.00 0.00 N ATOM 221 CA ALA A 15 0.791 -8.809 -4.435 1.00 0.00 C ATOM 222 C ALA A 15 0.735 -7.806 -3.280 1.00 0.00 C ATOM 223 O ALA A 15 1.512 -7.872 -2.348 1.00 0.00 O ATOM 224 CB ALA A 15 0.682 -8.087 -5.778 1.00 0.00 C ATOM 0 H ALA A 15 -1.072 -9.581 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 15 1.731 -9.352 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.521 -7.400 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.700 -8.818 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.253 -7.527 -5.815 1.00 0.00 H new ATOM 230 N PHE A 16 -0.180 -6.877 -3.334 1.00 0.00 N ATOM 231 CA PHE A 16 -0.290 -5.869 -2.240 1.00 0.00 C ATOM 232 C PHE A 16 -0.124 -6.546 -0.876 1.00 0.00 C ATOM 233 O PHE A 16 0.646 -6.108 -0.044 1.00 0.00 O ATOM 234 CB PHE A 16 -1.696 -5.291 -2.384 1.00 0.00 C ATOM 235 CG PHE A 16 -1.885 -4.165 -1.396 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.501 -2.862 -1.736 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.446 -4.423 -0.140 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.678 -1.819 -0.821 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.623 -3.380 0.776 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.239 -2.077 0.436 1.00 0.00 C ATOM 0 H PHE A 16 -0.857 -6.772 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 16 0.479 -5.099 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.848 -4.926 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.439 -6.069 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.068 -2.662 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.743 -5.428 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.382 -0.814 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.056 -3.580 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.375 -1.272 1.143 1.00 0.00 H new ATOM 250 N ALA A 17 -0.842 -7.610 -0.639 1.00 0.00 N ATOM 251 CA ALA A 17 -0.729 -8.312 0.672 1.00 0.00 C ATOM 252 C ALA A 17 0.646 -8.973 0.808 1.00 0.00 C ATOM 253 O ALA A 17 1.166 -9.124 1.895 1.00 0.00 O ATOM 254 CB ALA A 17 -1.832 -9.370 0.649 1.00 0.00 C ATOM 0 H ALA A 17 -1.503 -8.024 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.834 -7.629 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.816 -9.933 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.801 -8.883 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.667 -10.050 -0.187 1.00 0.00 H new ATOM 260 N LEU A 18 1.237 -9.371 -0.285 1.00 0.00 N ATOM 261 CA LEU A 18 2.578 -10.023 -0.210 1.00 0.00 C ATOM 262 C LEU A 18 3.551 -9.146 0.583 1.00 0.00 C ATOM 263 O LEU A 18 4.561 -9.611 1.072 1.00 0.00 O ATOM 264 CB LEU A 18 3.037 -10.159 -1.663 1.00 0.00 C ATOM 265 CG LEU A 18 3.385 -11.619 -1.954 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.264 -11.884 -3.455 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.820 -11.901 -1.503 1.00 0.00 C ATOM 0 H LEU A 18 0.852 -9.274 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 18 2.539 -10.988 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.250 -9.820 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.905 -9.525 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 18 2.698 -12.270 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.512 -12.925 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.243 -11.683 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.951 -11.233 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.069 -12.942 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.506 -11.249 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.909 -11.713 -0.433 1.00 0.00 H new ATOM 279 N PHE A 19 3.255 -7.881 0.715 1.00 0.00 N ATOM 280 CA PHE A 19 4.166 -6.980 1.478 1.00 0.00 C ATOM 281 C PHE A 19 3.401 -6.293 2.613 1.00 0.00 C ATOM 282 O PHE A 19 3.843 -5.303 3.162 1.00 0.00 O ATOM 283 CB PHE A 19 4.652 -5.948 0.460 1.00 0.00 C ATOM 284 CG PHE A 19 5.064 -6.648 -0.813 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.107 -6.942 -1.791 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.404 -7.001 -1.017 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.488 -7.590 -2.971 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.785 -7.650 -2.198 1.00 0.00 C ATOM 289 CZ PHE A 19 5.827 -7.945 -3.175 1.00 0.00 C ATOM 0 H PHE A 19 2.424 -7.433 0.329 1.00 0.00 H new ATOM 0 HA PHE A 19 4.994 -7.523 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.861 -5.228 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.494 -5.388 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.074 -6.669 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.143 -6.773 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.749 -7.817 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.818 -7.923 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.120 -8.446 -4.086 1.00 0.00 H new ATOM 299 N ASP A 20 2.259 -6.813 2.970 1.00 0.00 N ATOM 300 CA ASP A 20 1.467 -6.189 4.069 1.00 0.00 C ATOM 301 C ASP A 20 2.083 -6.537 5.428 1.00 0.00 C ATOM 302 O ASP A 20 1.689 -7.488 6.074 1.00 0.00 O ATOM 303 CB ASP A 20 0.069 -6.795 3.944 1.00 0.00 C ATOM 304 CG ASP A 20 0.143 -8.305 4.181 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.245 -8.827 4.211 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.904 -8.913 4.331 1.00 0.00 O ATOM 0 H ASP A 20 1.840 -7.642 2.549 1.00 0.00 H new ATOM 0 HA ASP A 20 1.448 -5.102 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.604 -6.335 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.340 -6.591 2.954 1.00 0.00 H new ATOM 311 N LYS A 21 3.045 -5.773 5.866 1.00 0.00 N ATOM 312 CA LYS A 21 3.684 -6.061 7.183 1.00 0.00 C ATOM 313 C LYS A 21 2.632 -6.053 8.294 1.00 0.00 C ATOM 314 O LYS A 21 2.605 -6.921 9.144 1.00 0.00 O ATOM 315 CB LYS A 21 4.693 -4.930 7.390 1.00 0.00 C ATOM 316 CG LYS A 21 5.447 -5.153 8.701 1.00 0.00 C ATOM 317 CD LYS A 21 6.275 -3.909 9.033 1.00 0.00 C ATOM 318 CE LYS A 21 7.296 -4.249 10.120 1.00 0.00 C ATOM 319 NZ LYS A 21 8.140 -3.029 10.251 1.00 0.00 N ATOM 0 H LYS A 21 3.417 -4.963 5.371 1.00 0.00 H new ATOM 0 HA LYS A 21 4.161 -7.041 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.394 -4.897 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.179 -3.969 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.743 -5.360 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.098 -6.023 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.786 -3.550 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.622 -3.105 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.804 -4.491 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.895 -5.116 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.865 -3.185 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.601 -2.827 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.544 -2.222 10.524 1.00 0.00 H new ATOM 333 N ASP A 22 1.765 -5.078 8.295 1.00 0.00 N ATOM 334 CA ASP A 22 0.714 -5.015 9.353 1.00 0.00 C ATOM 335 C ASP A 22 -0.298 -6.148 9.161 1.00 0.00 C ATOM 336 O ASP A 22 -1.043 -6.485 10.059 1.00 0.00 O ATOM 337 CB ASP A 22 0.041 -3.656 9.162 1.00 0.00 C ATOM 338 CG ASP A 22 1.099 -2.552 9.195 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.585 -2.257 10.275 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.407 -2.021 8.141 1.00 0.00 O ATOM 0 H ASP A 22 1.738 -4.322 7.610 1.00 0.00 H new ATOM 0 HA ASP A 22 1.129 -5.127 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.493 -3.634 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.697 -3.490 9.947 1.00 0.00 H new ATOM 345 N ASN A 23 -0.329 -6.737 7.996 1.00 0.00 N ATOM 346 CA ASN A 23 -1.294 -7.847 7.749 1.00 0.00 C ATOM 347 C ASN A 23 -2.730 -7.354 7.955 1.00 0.00 C ATOM 348 O ASN A 23 -3.613 -8.114 8.302 1.00 0.00 O ATOM 349 CB ASN A 23 -0.941 -8.917 8.783 1.00 0.00 C ATOM 350 CG ASN A 23 -1.432 -10.281 8.295 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.609 -10.466 8.056 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.573 -11.251 8.134 1.00 0.00 N ATOM 0 H ASN A 23 0.271 -6.498 7.206 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.232 -8.229 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.137 -8.942 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.399 -8.676 9.742 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.890 -12.164 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.415 -11.096 8.335 1.00 0.00 H new ATOM 359 N ASN A 24 -2.969 -6.089 7.743 1.00 0.00 N ATOM 360 CA ASN A 24 -4.347 -5.550 7.927 1.00 0.00 C ATOM 361 C ASN A 24 -4.919 -5.090 6.583 1.00 0.00 C ATOM 362 O ASN A 24 -5.985 -4.511 6.517 1.00 0.00 O ATOM 363 CB ASN A 24 -4.184 -4.361 8.875 1.00 0.00 C ATOM 364 CG ASN A 24 -3.044 -3.468 8.383 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.433 -3.745 7.369 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.726 -2.400 9.062 1.00 0.00 N ATOM 0 H ASN A 24 -2.271 -5.405 7.451 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.033 -6.298 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.112 -3.791 8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.974 -4.714 9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.966 -1.800 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.237 -2.166 9.913 1.00 0.00 H new ATOM 373 N GLY A 25 -4.218 -5.344 5.512 1.00 0.00 N ATOM 374 CA GLY A 25 -4.723 -4.922 4.175 1.00 0.00 C ATOM 375 C GLY A 25 -4.144 -3.552 3.818 1.00 0.00 C ATOM 376 O GLY A 25 -4.640 -2.865 2.947 1.00 0.00 O ATOM 0 H GLY A 25 -3.319 -5.825 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.440 -5.656 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.812 -4.877 4.184 1.00 0.00 H new ATOM 380 N SER A 26 -3.096 -3.149 4.483 1.00 0.00 N ATOM 381 CA SER A 26 -2.487 -1.822 4.180 1.00 0.00 C ATOM 382 C SER A 26 -0.963 -1.947 4.098 1.00 0.00 C ATOM 383 O SER A 26 -0.337 -2.585 4.920 1.00 0.00 O ATOM 384 CB SER A 26 -2.889 -0.925 5.349 1.00 0.00 C ATOM 385 OG SER A 26 -2.519 -1.551 6.571 1.00 0.00 O ATOM 0 H SER A 26 -2.635 -3.680 5.222 1.00 0.00 H new ATOM 0 HA SER A 26 -2.825 -1.421 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.401 0.046 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.964 -0.744 5.331 1.00 0.00 H new ATOM 0 HG SER A 26 -2.246 -2.476 6.395 1.00 0.00 H new ATOM 391 N ILE A 27 -0.362 -1.344 3.109 1.00 0.00 N ATOM 392 CA ILE A 27 1.121 -1.428 2.974 1.00 0.00 C ATOM 393 C ILE A 27 1.727 -0.024 2.901 1.00 0.00 C ATOM 394 O ILE A 27 1.054 0.937 2.585 1.00 0.00 O ATOM 395 CB ILE A 27 1.356 -2.181 1.663 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.045 -1.258 0.482 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.441 -3.406 1.606 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.282 -2.008 -0.831 1.00 0.00 C ATOM 0 H ILE A 27 -0.833 -0.797 2.389 1.00 0.00 H new ATOM 0 HA ILE A 27 1.585 -1.930 3.823 1.00 0.00 H new ATOM 0 HB ILE A 27 2.396 -2.502 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.011 -0.917 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.676 -0.370 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.609 -3.942 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.661 -4.064 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.600 -3.086 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.060 -1.350 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.323 -2.327 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.632 -2.882 -0.873 1.00 0.00 H new ATOM 410 N SER A 28 2.993 0.101 3.184 1.00 0.00 N ATOM 411 CA SER A 28 3.641 1.442 3.125 1.00 0.00 C ATOM 412 C SER A 28 3.963 1.801 1.673 1.00 0.00 C ATOM 413 O SER A 28 4.196 0.939 0.848 1.00 0.00 O ATOM 414 CB SER A 28 4.924 1.300 3.941 1.00 0.00 C ATOM 415 OG SER A 28 4.803 2.051 5.143 1.00 0.00 O ATOM 0 H SER A 28 3.608 -0.667 3.454 1.00 0.00 H new ATOM 0 HA SER A 28 2.999 2.232 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.108 0.251 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.777 1.653 3.362 1.00 0.00 H new ATOM 0 HG SER A 28 5.625 1.960 5.670 1.00 0.00 H new ATOM 421 N SER A 29 3.976 3.064 1.350 1.00 0.00 N ATOM 422 CA SER A 29 4.282 3.469 -0.053 1.00 0.00 C ATOM 423 C SER A 29 5.461 2.655 -0.593 1.00 0.00 C ATOM 424 O SER A 29 5.367 2.019 -1.625 1.00 0.00 O ATOM 425 CB SER A 29 4.649 4.950 0.033 1.00 0.00 C ATOM 426 OG SER A 29 6.062 5.082 0.101 1.00 0.00 O ATOM 0 H SER A 29 3.789 3.833 1.994 1.00 0.00 H new ATOM 0 HA SER A 29 3.442 3.296 -0.725 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.264 5.483 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.188 5.400 0.912 1.00 0.00 H new ATOM 0 HG SER A 29 6.300 6.031 0.154 1.00 0.00 H new ATOM 432 N SER A 30 6.568 2.666 0.096 1.00 0.00 N ATOM 433 CA SER A 30 7.749 1.890 -0.380 1.00 0.00 C ATOM 434 C SER A 30 7.318 0.483 -0.801 1.00 0.00 C ATOM 435 O SER A 30 7.875 -0.102 -1.710 1.00 0.00 O ATOM 436 CB SER A 30 8.691 1.825 0.821 1.00 0.00 C ATOM 437 OG SER A 30 10.029 1.692 0.361 1.00 0.00 O ATOM 0 H SER A 30 6.707 3.178 0.967 1.00 0.00 H new ATOM 0 HA SER A 30 8.225 2.350 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.590 2.726 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.428 0.981 1.459 1.00 0.00 H new ATOM 0 HG SER A 30 10.636 1.652 1.129 1.00 0.00 H new ATOM 443 N GLU A 31 6.331 -0.065 -0.148 1.00 0.00 N ATOM 444 CA GLU A 31 5.863 -1.434 -0.511 1.00 0.00 C ATOM 445 C GLU A 31 5.019 -1.384 -1.786 1.00 0.00 C ATOM 446 O GLU A 31 5.069 -2.275 -2.611 1.00 0.00 O ATOM 447 CB GLU A 31 5.016 -1.892 0.677 1.00 0.00 C ATOM 448 CG GLU A 31 5.748 -1.570 1.981 1.00 0.00 C ATOM 449 CD GLU A 31 5.515 -2.697 2.989 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.494 -2.668 3.655 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.363 -3.570 3.077 1.00 0.00 O ATOM 0 H GLU A 31 5.827 0.375 0.622 1.00 0.00 H new ATOM 0 HA GLU A 31 6.691 -2.115 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.047 -1.394 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.825 -2.963 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.815 -1.452 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.390 -0.624 2.388 1.00 0.00 H new ATOM 458 N LEU A 32 4.243 -0.348 -1.955 1.00 0.00 N ATOM 459 CA LEU A 32 3.396 -0.244 -3.179 1.00 0.00 C ATOM 460 C LEU A 32 4.273 -0.308 -4.431 1.00 0.00 C ATOM 461 O LEU A 32 3.896 -0.876 -5.437 1.00 0.00 O ATOM 462 CB LEU A 32 2.707 1.117 -3.073 1.00 0.00 C ATOM 463 CG LEU A 32 1.957 1.411 -4.373 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.913 0.319 -4.617 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.258 2.767 -4.262 1.00 0.00 C ATOM 0 H LEU A 32 4.158 0.430 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 32 2.675 -1.058 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.014 1.121 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.445 1.896 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 32 2.663 1.432 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.378 0.528 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.410 -0.648 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.207 0.299 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.723 2.978 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.552 2.745 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.000 3.546 -4.087 1.00 0.00 H new ATOM 477 N ALA A 33 5.444 0.266 -4.378 1.00 0.00 N ATOM 478 CA ALA A 33 6.342 0.231 -5.567 1.00 0.00 C ATOM 479 C ALA A 33 6.620 -1.220 -5.964 1.00 0.00 C ATOM 480 O ALA A 33 6.559 -1.580 -7.124 1.00 0.00 O ATOM 481 CB ALA A 33 7.629 0.920 -5.113 1.00 0.00 C ATOM 0 H ALA A 33 5.817 0.756 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 33 5.904 0.724 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.344 0.934 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.406 1.942 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.056 0.375 -4.271 1.00 0.00 H new ATOM 487 N THR A 34 6.917 -2.059 -5.009 1.00 0.00 N ATOM 488 CA THR A 34 7.190 -3.488 -5.334 1.00 0.00 C ATOM 489 C THR A 34 5.936 -4.133 -5.928 1.00 0.00 C ATOM 490 O THR A 34 5.916 -4.529 -7.077 1.00 0.00 O ATOM 491 CB THR A 34 7.547 -4.140 -3.999 1.00 0.00 C ATOM 492 OG1 THR A 34 8.791 -3.629 -3.541 1.00 0.00 O ATOM 493 CG2 THR A 34 7.653 -5.653 -4.187 1.00 0.00 C ATOM 0 H THR A 34 6.982 -1.817 -4.020 1.00 0.00 H new ATOM 0 HA THR A 34 7.990 -3.603 -6.066 1.00 0.00 H new ATOM 0 HB THR A 34 6.772 -3.918 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.020 -4.045 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.908 -6.121 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.698 -6.044 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.429 -5.875 -4.920 1.00 0.00 H new ATOM 501 N VAL A 35 4.887 -4.237 -5.157 1.00 0.00 N ATOM 502 CA VAL A 35 3.635 -4.850 -5.685 1.00 0.00 C ATOM 503 C VAL A 35 3.352 -4.312 -7.090 1.00 0.00 C ATOM 504 O VAL A 35 2.848 -5.011 -7.948 1.00 0.00 O ATOM 505 CB VAL A 35 2.537 -4.412 -4.715 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.831 -4.971 -3.322 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.494 -2.885 -4.648 1.00 0.00 C ATOM 0 H VAL A 35 4.843 -3.925 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 35 3.700 -5.936 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 35 1.576 -4.790 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.048 -4.658 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.862 -6.060 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.793 -4.594 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.711 -2.573 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.456 -2.509 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.284 -2.483 -5.639 1.00 0.00 H new ATOM 517 N MET A 36 3.675 -3.070 -7.326 1.00 0.00 N ATOM 518 CA MET A 36 3.429 -2.468 -8.668 1.00 0.00 C ATOM 519 C MET A 36 4.172 -3.257 -9.751 1.00 0.00 C ATOM 520 O MET A 36 3.570 -3.807 -10.652 1.00 0.00 O ATOM 521 CB MET A 36 3.979 -1.045 -8.562 1.00 0.00 C ATOM 522 CG MET A 36 3.427 -0.194 -9.708 1.00 0.00 C ATOM 523 SD MET A 36 1.619 -0.165 -9.624 1.00 0.00 S ATOM 524 CE MET A 36 1.463 1.316 -8.595 1.00 0.00 C ATOM 0 H MET A 36 4.101 -2.443 -6.644 1.00 0.00 H new ATOM 0 HA MET A 36 2.374 -2.480 -8.942 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.700 -0.607 -7.604 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.068 -1.062 -8.600 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.821 0.820 -9.644 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.750 -0.601 -10.666 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.494 1.312 -8.096 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.256 1.325 -7.848 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.544 2.204 -9.221 1.00 0.00 H new ATOM 534 N ARG A 37 5.472 -3.315 -9.674 1.00 0.00 N ATOM 535 CA ARG A 37 6.247 -4.067 -10.704 1.00 0.00 C ATOM 536 C ARG A 37 6.018 -5.575 -10.548 1.00 0.00 C ATOM 537 O ARG A 37 6.270 -6.348 -11.451 1.00 0.00 O ATOM 538 CB ARG A 37 7.710 -3.718 -10.433 1.00 0.00 C ATOM 539 CG ARG A 37 8.562 -4.104 -11.643 1.00 0.00 C ATOM 540 CD ARG A 37 9.993 -4.398 -11.191 1.00 0.00 C ATOM 541 NE ARG A 37 10.678 -3.076 -11.197 1.00 0.00 N ATOM 542 CZ ARG A 37 11.688 -2.860 -10.400 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.806 -3.510 -10.573 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.580 -1.993 -9.430 1.00 0.00 N ATOM 0 H ARG A 37 6.032 -2.875 -8.944 1.00 0.00 H new ATOM 0 HA ARG A 37 5.945 -3.804 -11.718 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.809 -2.651 -10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.061 -4.244 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.138 -4.980 -12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.560 -3.296 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.009 -4.846 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.484 -5.100 -11.865 1.00 0.00 H new ATOM 0 HE ARG A 37 10.357 -2.339 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.890 -4.187 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.596 -3.341 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.706 -1.485 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.370 -1.824 -8.807 1.00 0.00 H new ATOM 558 N SER A 38 5.544 -5.999 -9.407 1.00 0.00 N ATOM 559 CA SER A 38 5.303 -7.454 -9.194 1.00 0.00 C ATOM 560 C SER A 38 4.144 -7.937 -10.068 1.00 0.00 C ATOM 561 O SER A 38 4.132 -9.061 -10.532 1.00 0.00 O ATOM 562 CB SER A 38 4.947 -7.583 -7.713 1.00 0.00 C ATOM 563 OG SER A 38 6.053 -8.132 -7.010 1.00 0.00 O ATOM 0 H SER A 38 5.314 -5.400 -8.614 1.00 0.00 H new ATOM 0 HA SER A 38 6.171 -8.057 -9.461 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.689 -6.607 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.072 -8.221 -7.592 1.00 0.00 H new ATOM 0 HG SER A 38 5.828 -8.214 -6.060 1.00 0.00 H new ATOM 569 N LEU A 39 3.169 -7.102 -10.297 1.00 0.00 N ATOM 570 CA LEU A 39 2.015 -7.524 -11.142 1.00 0.00 C ATOM 571 C LEU A 39 2.490 -7.838 -12.564 1.00 0.00 C ATOM 572 O LEU A 39 1.901 -8.641 -13.261 1.00 0.00 O ATOM 573 CB LEU A 39 1.058 -6.329 -11.149 1.00 0.00 C ATOM 574 CG LEU A 39 0.212 -6.334 -9.872 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.874 -5.262 -9.978 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.448 -7.705 -9.699 1.00 0.00 C ATOM 0 H LEU A 39 3.120 -6.149 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 39 1.534 -8.424 -10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.623 -5.399 -11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.411 -6.375 -12.025 1.00 0.00 H new ATOM 0 HG LEU A 39 0.851 -6.126 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.477 -5.264 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.409 -4.284 -10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.511 -5.473 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.050 -7.707 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.087 -7.912 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.322 -8.473 -9.626 1.00 0.00 H new ATOM 588 N GLY A 40 3.553 -7.217 -12.998 1.00 0.00 N ATOM 589 CA GLY A 40 4.061 -7.487 -14.373 1.00 0.00 C ATOM 590 C GLY A 40 4.315 -6.165 -15.099 1.00 0.00 C ATOM 591 O GLY A 40 4.127 -6.057 -16.294 1.00 0.00 O ATOM 0 H GLY A 40 4.090 -6.536 -12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.982 -8.068 -14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.337 -8.084 -14.928 1.00 0.00 H new ATOM 595 N LEU A 41 4.742 -5.157 -14.388 1.00 0.00 N ATOM 596 CA LEU A 41 5.008 -3.844 -15.045 1.00 0.00 C ATOM 597 C LEU A 41 6.327 -3.257 -14.535 1.00 0.00 C ATOM 598 O LEU A 41 6.972 -3.814 -13.669 1.00 0.00 O ATOM 599 CB LEU A 41 3.832 -2.948 -14.647 1.00 0.00 C ATOM 600 CG LEU A 41 3.503 -3.151 -13.167 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.084 -1.816 -12.549 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.356 -4.155 -13.034 1.00 0.00 C ATOM 0 H LEU A 41 4.918 -5.185 -13.384 1.00 0.00 H new ATOM 0 HA LEU A 41 5.097 -3.937 -16.127 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.080 -1.903 -14.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.961 -3.183 -15.258 1.00 0.00 H new ATOM 0 HG LEU A 41 4.383 -3.531 -12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.850 -1.961 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.899 -1.099 -12.644 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.204 -1.435 -13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.120 -4.301 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.477 -3.774 -13.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.653 -5.107 -13.474 1.00 0.00 H new ATOM 614 N SER A 42 6.733 -2.138 -15.069 1.00 0.00 N ATOM 615 CA SER A 42 8.011 -1.517 -14.617 1.00 0.00 C ATOM 616 C SER A 42 8.103 -0.073 -15.116 1.00 0.00 C ATOM 617 O SER A 42 8.650 0.188 -16.169 1.00 0.00 O ATOM 618 CB SER A 42 9.110 -2.372 -15.246 1.00 0.00 C ATOM 619 OG SER A 42 8.656 -2.875 -16.495 1.00 0.00 O ATOM 0 H SER A 42 6.236 -1.627 -15.798 1.00 0.00 H new ATOM 0 HA SER A 42 8.092 -1.483 -13.531 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.013 -1.778 -15.387 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.371 -3.196 -14.582 1.00 0.00 H new ATOM 0 HG SER A 42 9.359 -3.423 -16.902 1.00 0.00 H new ATOM 625 N PRO A 43 7.562 0.820 -14.333 1.00 0.00 N ATOM 626 CA PRO A 43 7.578 2.261 -14.691 1.00 0.00 C ATOM 627 C PRO A 43 8.995 2.829 -14.562 1.00 0.00 C ATOM 628 O PRO A 43 9.968 2.101 -14.578 1.00 0.00 O ATOM 629 CB PRO A 43 6.640 2.893 -13.666 1.00 0.00 C ATOM 630 CG PRO A 43 6.657 1.957 -12.499 1.00 0.00 C ATOM 631 CD PRO A 43 6.890 0.576 -13.053 1.00 0.00 C ATOM 0 HA PRO A 43 7.269 2.452 -15.719 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.981 3.888 -13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.633 3.005 -14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.444 2.230 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.714 2.001 -11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.508 -0.024 -12.385 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.953 0.037 -13.190 1.00 0.00 H new ATOM 639 N SER A 44 9.118 4.122 -14.436 1.00 0.00 N ATOM 640 CA SER A 44 10.474 4.731 -14.309 1.00 0.00 C ATOM 641 C SER A 44 10.480 5.785 -13.198 1.00 0.00 C ATOM 642 O SER A 44 9.453 6.125 -12.646 1.00 0.00 O ATOM 643 CB SER A 44 10.744 5.381 -15.665 1.00 0.00 C ATOM 644 OG SER A 44 9.507 5.729 -16.273 1.00 0.00 O ATOM 0 H SER A 44 8.341 4.782 -14.415 1.00 0.00 H new ATOM 0 HA SER A 44 11.235 3.994 -14.051 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.363 6.269 -15.539 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.298 4.695 -16.306 1.00 0.00 H new ATOM 0 HG SER A 44 9.676 6.148 -17.143 1.00 0.00 H new ATOM 650 N GLU A 45 11.631 6.305 -12.868 1.00 0.00 N ATOM 651 CA GLU A 45 11.703 7.337 -11.795 1.00 0.00 C ATOM 652 C GLU A 45 10.579 8.362 -11.971 1.00 0.00 C ATOM 653 O GLU A 45 9.713 8.497 -11.131 1.00 0.00 O ATOM 654 CB GLU A 45 13.068 8.001 -11.974 1.00 0.00 C ATOM 655 CG GLU A 45 14.128 7.209 -11.206 1.00 0.00 C ATOM 656 CD GLU A 45 15.518 7.569 -11.734 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.848 8.744 -11.722 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.228 6.664 -12.141 1.00 0.00 O ATOM 0 H GLU A 45 12.524 6.060 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 45 11.587 6.907 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.327 8.044 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.034 9.029 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.063 7.432 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.950 6.139 -11.319 1.00 0.00 H new ATOM 665 N ALA A 46 10.587 9.084 -13.058 1.00 0.00 N ATOM 666 CA ALA A 46 9.518 10.097 -13.286 1.00 0.00 C ATOM 667 C ALA A 46 8.153 9.515 -12.909 1.00 0.00 C ATOM 668 O ALA A 46 7.437 10.062 -12.094 1.00 0.00 O ATOM 669 CB ALA A 46 9.575 10.405 -14.782 1.00 0.00 C ATOM 0 H ALA A 46 11.287 9.016 -13.797 1.00 0.00 H new ATOM 0 HA ALA A 46 9.661 10.993 -12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.815 11.146 -15.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.560 10.797 -15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.391 9.492 -15.349 1.00 0.00 H new ATOM 675 N GLU A 47 7.789 8.407 -13.495 1.00 0.00 N ATOM 676 CA GLU A 47 6.472 7.789 -13.167 1.00 0.00 C ATOM 677 C GLU A 47 6.336 7.618 -11.652 1.00 0.00 C ATOM 678 O GLU A 47 5.263 7.750 -11.097 1.00 0.00 O ATOM 679 CB GLU A 47 6.489 6.428 -13.862 1.00 0.00 C ATOM 680 CG GLU A 47 5.253 6.294 -14.754 1.00 0.00 C ATOM 681 CD GLU A 47 5.646 6.540 -16.212 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.398 5.741 -16.746 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.187 7.524 -16.770 1.00 0.00 O ATOM 0 H GLU A 47 8.345 7.903 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 47 5.632 8.402 -13.495 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.395 6.324 -14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.503 5.629 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.820 5.300 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.490 7.009 -14.446 1.00 0.00 H new ATOM 690 N VAL A 48 7.416 7.326 -10.980 1.00 0.00 N ATOM 691 CA VAL A 48 7.349 7.147 -9.501 1.00 0.00 C ATOM 692 C VAL A 48 7.104 8.495 -8.819 1.00 0.00 C ATOM 693 O VAL A 48 6.213 8.638 -8.005 1.00 0.00 O ATOM 694 CB VAL A 48 8.717 6.588 -9.107 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.648 6.025 -7.686 1.00 0.00 C ATOM 696 CG2 VAL A 48 9.110 5.471 -10.077 1.00 0.00 C ATOM 0 H VAL A 48 8.342 7.204 -11.391 1.00 0.00 H new ATOM 0 HA VAL A 48 6.537 6.485 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 48 9.460 7.385 -9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.623 5.626 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.367 6.818 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.905 5.228 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.085 5.072 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.367 4.675 -10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.159 5.870 -11.090 1.00 0.00 H new ATOM 706 N ASN A 49 7.887 9.486 -9.147 1.00 0.00 N ATOM 707 CA ASN A 49 7.697 10.826 -8.518 1.00 0.00 C ATOM 708 C ASN A 49 6.212 11.193 -8.501 1.00 0.00 C ATOM 709 O ASN A 49 5.671 11.587 -7.488 1.00 0.00 O ATOM 710 CB ASN A 49 8.480 11.795 -9.405 1.00 0.00 C ATOM 711 CG ASN A 49 8.678 13.119 -8.665 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.470 13.202 -7.747 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.986 14.164 -9.028 1.00 0.00 N ATOM 0 H ASN A 49 8.649 9.427 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 49 8.043 10.851 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.447 11.365 -9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.943 11.965 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.110 15.052 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.322 14.093 -9.799 1.00 0.00 H new ATOM 720 N ASP A 50 5.547 11.065 -9.618 1.00 0.00 N ATOM 721 CA ASP A 50 4.096 11.406 -9.665 1.00 0.00 C ATOM 722 C ASP A 50 3.277 10.319 -8.963 1.00 0.00 C ATOM 723 O ASP A 50 2.230 10.580 -8.405 1.00 0.00 O ATOM 724 CB ASP A 50 3.750 11.462 -11.152 1.00 0.00 C ATOM 725 CG ASP A 50 4.500 12.624 -11.807 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.452 13.099 -11.212 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.107 13.020 -12.893 1.00 0.00 O ATOM 0 H ASP A 50 5.945 10.739 -10.499 1.00 0.00 H new ATOM 0 HA ASP A 50 3.875 12.347 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.020 10.523 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.675 11.590 -11.282 1.00 0.00 H new ATOM 732 N LEU A 51 3.746 9.100 -8.988 1.00 0.00 N ATOM 733 CA LEU A 51 2.994 7.998 -8.322 1.00 0.00 C ATOM 734 C LEU A 51 2.734 8.349 -6.854 1.00 0.00 C ATOM 735 O LEU A 51 1.614 8.307 -6.385 1.00 0.00 O ATOM 736 CB LEU A 51 3.907 6.776 -8.427 1.00 0.00 C ATOM 737 CG LEU A 51 3.139 5.620 -9.068 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.819 5.408 -8.324 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.850 5.950 -10.533 1.00 0.00 C ATOM 0 H LEU A 51 4.616 8.820 -9.440 1.00 0.00 H new ATOM 0 HA LEU A 51 2.023 7.822 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.787 7.017 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.261 6.487 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 51 3.738 4.711 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.272 4.584 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.024 5.172 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.220 6.317 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.302 5.126 -10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.252 6.859 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.790 6.100 -11.064 1.00 0.00 H new ATOM 751 N MET A 52 3.760 8.695 -6.126 1.00 0.00 N ATOM 752 CA MET A 52 3.571 9.048 -4.690 1.00 0.00 C ATOM 753 C MET A 52 2.845 10.392 -4.568 1.00 0.00 C ATOM 754 O MET A 52 1.934 10.546 -3.779 1.00 0.00 O ATOM 755 CB MET A 52 4.985 9.149 -4.117 1.00 0.00 C ATOM 756 CG MET A 52 5.676 7.788 -4.222 1.00 0.00 C ATOM 757 SD MET A 52 4.988 6.664 -2.981 1.00 0.00 S ATOM 758 CE MET A 52 4.211 5.504 -4.132 1.00 0.00 C ATOM 0 H MET A 52 4.721 8.749 -6.463 1.00 0.00 H new ATOM 0 HA MET A 52 2.968 8.311 -4.159 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.556 9.902 -4.660 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.945 9.469 -3.076 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.537 7.374 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.750 7.901 -4.071 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.968 4.579 -3.608 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.298 5.945 -4.532 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.898 5.288 -4.950 1.00 0.00 H new ATOM 768 N ASN A 53 3.241 11.363 -5.344 1.00 0.00 N ATOM 769 CA ASN A 53 2.572 12.694 -5.273 1.00 0.00 C ATOM 770 C ASN A 53 1.071 12.547 -5.536 1.00 0.00 C ATOM 771 O ASN A 53 0.291 13.434 -5.251 1.00 0.00 O ATOM 772 CB ASN A 53 3.231 13.528 -6.371 1.00 0.00 C ATOM 773 CG ASN A 53 4.597 14.019 -5.890 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.134 13.510 -4.926 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.188 14.995 -6.525 1.00 0.00 N ATOM 0 H ASN A 53 3.998 11.293 -6.024 1.00 0.00 H new ATOM 0 HA ASN A 53 2.677 13.157 -4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.345 12.931 -7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.597 14.377 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.099 15.329 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.738 15.423 -7.334 1.00 0.00 H new ATOM 782 N GLU A 54 0.661 11.433 -6.080 1.00 0.00 N ATOM 783 CA GLU A 54 -0.789 11.230 -6.362 1.00 0.00 C ATOM 784 C GLU A 54 -1.477 10.582 -5.158 1.00 0.00 C ATOM 785 O GLU A 54 -2.680 10.407 -5.138 1.00 0.00 O ATOM 786 CB GLU A 54 -0.829 10.295 -7.571 1.00 0.00 C ATOM 787 CG GLU A 54 -2.254 10.241 -8.127 1.00 0.00 C ATOM 788 CD GLU A 54 -2.231 10.562 -9.623 1.00 0.00 C ATOM 789 OE1 GLU A 54 -1.350 10.062 -10.302 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.095 11.302 -10.063 1.00 0.00 O ATOM 0 H GLU A 54 1.267 10.655 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.308 12.169 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.140 10.647 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.502 9.296 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.682 9.252 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.888 10.954 -7.601 1.00 0.00 H new ATOM 797 N ILE A 55 -0.725 10.223 -4.153 1.00 0.00 N ATOM 798 CA ILE A 55 -1.339 9.587 -2.953 1.00 0.00 C ATOM 799 C ILE A 55 -0.500 9.889 -1.707 1.00 0.00 C ATOM 800 O ILE A 55 -1.019 10.265 -0.675 1.00 0.00 O ATOM 801 CB ILE A 55 -1.333 8.088 -3.253 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.722 7.315 -1.990 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.067 7.661 -3.698 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.450 5.824 -2.199 1.00 0.00 C ATOM 0 H ILE A 55 0.287 10.343 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.344 9.959 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.048 7.874 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.153 7.683 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.776 7.475 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.071 6.592 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.347 8.212 -4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.782 7.875 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.727 5.274 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.039 5.461 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.390 5.673 -2.405 1.00 0.00 H new ATOM 816 N ASP A 56 0.792 9.726 -1.795 1.00 0.00 N ATOM 817 CA ASP A 56 1.660 10.005 -0.616 1.00 0.00 C ATOM 818 C ASP A 56 1.380 11.408 -0.071 1.00 0.00 C ATOM 819 O ASP A 56 1.336 12.373 -0.809 1.00 0.00 O ATOM 820 CB ASP A 56 3.092 9.911 -1.147 1.00 0.00 C ATOM 821 CG ASP A 56 4.078 10.076 0.011 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.941 9.357 0.987 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.953 10.919 -0.099 1.00 0.00 O ATOM 0 H ASP A 56 1.284 9.412 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 56 1.482 9.307 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.247 8.950 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.264 10.682 -1.898 1.00 0.00 H new ATOM 828 N VAL A 57 1.191 11.529 1.214 1.00 0.00 N ATOM 829 CA VAL A 57 0.915 12.871 1.804 1.00 0.00 C ATOM 830 C VAL A 57 1.914 13.171 2.924 1.00 0.00 C ATOM 831 O VAL A 57 1.733 14.088 3.700 1.00 0.00 O ATOM 832 CB VAL A 57 -0.505 12.773 2.362 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.569 11.650 3.400 1.00 0.00 C ATOM 834 CG2 VAL A 57 -0.884 14.100 3.023 1.00 0.00 C ATOM 0 H VAL A 57 1.216 10.758 1.881 1.00 0.00 H new ATOM 0 HA VAL A 57 1.010 13.673 1.072 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.201 12.558 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.581 11.580 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.297 10.705 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.126 11.865 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.896 14.032 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.188 14.314 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.838 14.901 2.285 1.00 0.00 H new ATOM 844 N ASP A 58 2.966 12.406 3.014 1.00 0.00 N ATOM 845 CA ASP A 58 3.975 12.649 4.085 1.00 0.00 C ATOM 846 C ASP A 58 5.258 11.867 3.791 1.00 0.00 C ATOM 847 O ASP A 58 6.308 12.437 3.565 1.00 0.00 O ATOM 848 CB ASP A 58 3.320 12.140 5.370 1.00 0.00 C ATOM 849 CG ASP A 58 4.060 12.710 6.582 1.00 0.00 C ATOM 850 OD1 ASP A 58 5.272 12.581 6.624 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.402 13.266 7.445 1.00 0.00 O ATOM 0 H ASP A 58 3.172 11.623 2.393 1.00 0.00 H new ATOM 0 HA ASP A 58 4.254 13.700 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.272 12.437 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.344 11.051 5.396 1.00 0.00 H new ATOM 856 N GLY A 59 5.183 10.563 3.790 1.00 0.00 N ATOM 857 CA GLY A 59 6.397 9.747 3.511 1.00 0.00 C ATOM 858 C GLY A 59 6.072 8.265 3.698 1.00 0.00 C ATOM 859 O GLY A 59 6.007 7.508 2.749 1.00 0.00 O ATOM 0 H GLY A 59 4.333 10.029 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.744 9.928 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.206 10.040 4.180 1.00 0.00 H new ATOM 863 N ASN A 60 5.863 7.842 4.914 1.00 0.00 N ATOM 864 CA ASN A 60 5.541 6.407 5.161 1.00 0.00 C ATOM 865 C ASN A 60 4.067 6.254 5.545 1.00 0.00 C ATOM 866 O ASN A 60 3.740 5.811 6.628 1.00 0.00 O ATOM 867 CB ASN A 60 6.444 5.992 6.323 1.00 0.00 C ATOM 868 CG ASN A 60 5.961 6.665 7.610 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.468 7.774 7.581 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.083 6.035 8.746 1.00 0.00 N ATOM 0 H ASN A 60 5.901 8.428 5.748 1.00 0.00 H new ATOM 0 HA ASN A 60 5.704 5.789 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.430 4.908 6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.475 6.277 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.764 6.474 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.497 5.103 8.770 1.00 0.00 H new ATOM 877 N HIS A 61 3.174 6.620 4.666 1.00 0.00 N ATOM 878 CA HIS A 61 1.722 6.497 4.983 1.00 0.00 C ATOM 879 C HIS A 61 1.264 5.046 4.806 1.00 0.00 C ATOM 880 O HIS A 61 1.905 4.259 4.138 1.00 0.00 O ATOM 881 CB HIS A 61 1.019 7.408 3.976 1.00 0.00 C ATOM 882 CG HIS A 61 1.067 6.782 2.609 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.002 5.816 2.271 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.301 6.972 1.485 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.777 5.465 0.993 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.751 6.138 0.465 1.00 0.00 N ATOM 0 H HIS A 61 3.387 6.998 3.743 1.00 0.00 H new ATOM 0 HA HIS A 61 1.498 6.778 6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.016 7.569 4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.501 8.385 3.956 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.728 5.440 2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.525 7.663 1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.356 4.727 0.457 1.00 0.00 H new ATOM 894 N GLN A 62 0.158 4.688 5.399 1.00 0.00 N ATOM 895 CA GLN A 62 -0.341 3.289 5.263 1.00 0.00 C ATOM 896 C GLN A 62 -1.288 3.182 4.065 1.00 0.00 C ATOM 897 O GLN A 62 -2.433 3.584 4.129 1.00 0.00 O ATOM 898 CB GLN A 62 -1.088 3.006 6.567 1.00 0.00 C ATOM 899 CG GLN A 62 -2.236 4.005 6.724 1.00 0.00 C ATOM 900 CD GLN A 62 -2.079 4.758 8.047 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.227 5.614 8.175 1.00 0.00 O ATOM 902 NE2 GLN A 62 -2.872 4.471 9.045 1.00 0.00 N ATOM 0 H GLN A 62 -0.421 5.302 5.971 1.00 0.00 H new ATOM 0 HA GLN A 62 0.466 2.576 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.476 1.987 6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.406 3.084 7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.237 4.708 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.192 3.483 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.588 3.752 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.776 4.966 9.932 1.00 0.00 H new ATOM 911 N ILE A 63 -0.821 2.641 2.973 1.00 0.00 N ATOM 912 CA ILE A 63 -1.695 2.510 1.772 1.00 0.00 C ATOM 913 C ILE A 63 -2.781 1.460 2.018 1.00 0.00 C ATOM 914 O ILE A 63 -2.671 0.635 2.904 1.00 0.00 O ATOM 915 CB ILE A 63 -0.760 2.062 0.650 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.266 3.163 0.371 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.574 1.794 -0.618 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.151 2.749 -0.805 1.00 0.00 C ATOM 0 H ILE A 63 0.128 2.284 2.860 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.206 3.442 1.530 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.244 1.150 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.243 4.100 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.877 3.338 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.906 1.474 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.306 1.011 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.090 2.706 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.882 3.533 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.670 1.822 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.533 2.596 -1.690 1.00 0.00 H new ATOM 930 N GLU A 64 -3.827 1.482 1.240 1.00 0.00 N ATOM 931 CA GLU A 64 -4.919 0.485 1.428 1.00 0.00 C ATOM 932 C GLU A 64 -5.177 -0.267 0.119 1.00 0.00 C ATOM 933 O GLU A 64 -5.406 0.329 -0.915 1.00 0.00 O ATOM 934 CB GLU A 64 -6.145 1.308 1.825 1.00 0.00 C ATOM 935 CG GLU A 64 -5.758 2.306 2.919 1.00 0.00 C ATOM 936 CD GLU A 64 -6.690 2.133 4.120 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.887 2.287 3.943 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.190 1.850 5.196 1.00 0.00 O ATOM 0 H GLU A 64 -3.974 2.148 0.481 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.671 -0.263 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.537 1.838 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.938 0.650 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.723 2.146 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.825 3.325 2.537 1.00 0.00 H new ATOM 945 N PHE A 65 -5.140 -1.571 0.154 1.00 0.00 N ATOM 946 CA PHE A 65 -5.383 -2.357 -1.089 1.00 0.00 C ATOM 947 C PHE A 65 -6.557 -1.764 -1.871 1.00 0.00 C ATOM 948 O PHE A 65 -6.553 -1.730 -3.085 1.00 0.00 O ATOM 949 CB PHE A 65 -5.719 -3.769 -0.606 1.00 0.00 C ATOM 950 CG PHE A 65 -5.871 -4.684 -1.798 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.824 -4.815 -2.718 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.060 -5.401 -1.983 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.965 -5.662 -3.823 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.201 -6.249 -3.087 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.153 -6.380 -4.008 1.00 0.00 C ATOM 0 H PHE A 65 -4.952 -2.126 0.989 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.522 -2.348 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.931 -4.138 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.640 -3.756 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.907 -4.262 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.868 -5.299 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.158 -5.762 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.117 -6.803 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.261 -7.034 -4.860 1.00 0.00 H new ATOM 965 N SER A 66 -7.562 -1.294 -1.185 1.00 0.00 N ATOM 966 CA SER A 66 -8.735 -0.702 -1.890 1.00 0.00 C ATOM 967 C SER A 66 -8.291 0.483 -2.751 1.00 0.00 C ATOM 968 O SER A 66 -8.184 0.381 -3.956 1.00 0.00 O ATOM 969 CB SER A 66 -9.673 -0.236 -0.777 1.00 0.00 C ATOM 970 OG SER A 66 -10.319 -1.365 -0.204 1.00 0.00 O ATOM 0 H SER A 66 -7.622 -1.294 -0.167 1.00 0.00 H new ATOM 0 HA SER A 66 -9.219 -1.415 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.111 0.302 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.413 0.457 -1.176 1.00 0.00 H new ATOM 0 HG SER A 66 -10.920 -1.070 0.511 1.00 0.00 H new ATOM 976 N GLU A 67 -8.031 1.607 -2.141 1.00 0.00 N ATOM 977 CA GLU A 67 -7.593 2.796 -2.926 1.00 0.00 C ATOM 978 C GLU A 67 -6.430 2.421 -3.849 1.00 0.00 C ATOM 979 O GLU A 67 -6.384 2.814 -4.997 1.00 0.00 O ATOM 980 CB GLU A 67 -7.141 3.817 -1.880 1.00 0.00 C ATOM 981 CG GLU A 67 -5.805 3.376 -1.279 1.00 0.00 C ATOM 982 CD GLU A 67 -5.410 4.334 -0.155 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.987 5.407 -0.086 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.535 3.980 0.619 1.00 0.00 O ATOM 0 H GLU A 67 -8.103 1.753 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.388 3.188 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.039 4.801 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.893 3.907 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.885 2.360 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.034 3.365 -2.049 1.00 0.00 H new ATOM 991 N PHE A 68 -5.493 1.659 -3.355 1.00 0.00 N ATOM 992 CA PHE A 68 -4.335 1.257 -4.205 1.00 0.00 C ATOM 993 C PHE A 68 -4.819 0.864 -5.603 1.00 0.00 C ATOM 994 O PHE A 68 -4.456 1.471 -6.591 1.00 0.00 O ATOM 995 CB PHE A 68 -3.720 0.053 -3.488 1.00 0.00 C ATOM 996 CG PHE A 68 -2.812 -0.695 -4.435 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.117 -0.002 -5.433 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.666 -2.083 -4.315 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.275 -0.697 -6.311 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.824 -2.777 -5.192 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.129 -2.084 -6.191 1.00 0.00 C ATOM 0 H PHE A 68 -5.478 1.298 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.615 2.064 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.157 0.386 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.508 -0.608 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.230 1.068 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.203 -2.618 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.738 -0.162 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.710 -3.847 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.481 -2.620 -6.869 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.637 -0.149 -5.695 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.143 -0.582 -7.028 1.00 0.00 C ATOM 1013 C LEU A 69 -7.163 0.428 -7.560 1.00 0.00 C ATOM 1014 O LEU A 69 -7.123 0.819 -8.710 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.807 -1.937 -6.776 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.826 -3.060 -7.119 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.459 -2.757 -6.502 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.352 -4.383 -6.558 1.00 0.00 C ATOM 0 H LEU A 69 -5.977 -0.696 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.349 -0.649 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.114 -2.015 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.708 -2.030 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.726 -3.133 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.763 -3.559 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.082 -1.814 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.557 -2.682 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.654 -5.184 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.452 -4.305 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.325 -4.603 -6.997 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.075 0.858 -6.731 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.093 1.845 -7.192 1.00 0.00 C ATOM 1032 C ALA A 70 -8.415 2.975 -7.970 1.00 0.00 C ATOM 1033 O ALA A 70 -9.022 3.625 -8.798 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.731 2.384 -5.911 1.00 0.00 C ATOM 0 H ALA A 70 -8.159 0.569 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.832 1.398 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.494 3.119 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.188 1.563 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.966 2.855 -5.294 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.157 3.211 -7.711 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.438 4.298 -8.435 1.00 0.00 C ATOM 1042 C LEU A 71 -5.545 3.703 -9.527 1.00 0.00 C ATOM 1043 O LEU A 71 -5.543 4.154 -10.656 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.590 4.991 -7.368 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.484 5.417 -6.203 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -5.706 5.295 -4.891 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.920 6.871 -6.403 1.00 0.00 C ATOM 0 H LEU A 71 -6.597 2.698 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.122 4.991 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.810 4.317 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.090 5.861 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.363 4.774 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.343 5.599 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.393 4.261 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.827 5.939 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.558 7.177 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.040 7.513 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.473 6.960 -7.338 1.00 0.00 H new ATOM 1059 N MET A 72 -4.786 2.694 -9.201 1.00 0.00 N ATOM 1060 CA MET A 72 -3.893 2.070 -10.220 1.00 0.00 C ATOM 1061 C MET A 72 -4.641 1.901 -11.546 1.00 0.00 C ATOM 1062 O MET A 72 -4.050 1.891 -12.606 1.00 0.00 O ATOM 1063 CB MET A 72 -3.519 0.707 -9.638 1.00 0.00 C ATOM 1064 CG MET A 72 -1.996 0.587 -9.556 1.00 0.00 C ATOM 1065 SD MET A 72 -1.332 0.202 -11.195 1.00 0.00 S ATOM 1066 CE MET A 72 -0.461 1.765 -11.460 1.00 0.00 C ATOM 0 H MET A 72 -4.745 2.274 -8.273 1.00 0.00 H new ATOM 0 HA MET A 72 -3.013 2.680 -10.427 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.957 0.590 -8.647 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.924 -0.090 -10.262 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.566 1.519 -9.188 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.720 -0.194 -8.847 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.989 2.353 -12.210 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.421 2.322 -10.524 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.553 1.563 -11.805 1.00 0.00 H new ATOM 1076 N SER A 73 -5.939 1.767 -11.493 1.00 0.00 N ATOM 1077 CA SER A 73 -6.723 1.599 -12.749 1.00 0.00 C ATOM 1078 C SER A 73 -6.474 2.780 -13.691 1.00 0.00 C ATOM 1079 O SER A 73 -6.771 2.723 -14.867 1.00 0.00 O ATOM 1080 CB SER A 73 -8.184 1.567 -12.304 1.00 0.00 C ATOM 1081 OG SER A 73 -8.464 2.727 -11.532 1.00 0.00 O ATOM 0 H SER A 73 -6.489 1.767 -10.634 1.00 0.00 H new ATOM 0 HA SER A 73 -6.443 0.696 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.840 1.527 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.378 0.669 -11.717 1.00 0.00 H new ATOM 0 HG SER A 73 -8.613 2.470 -10.598 1.00 0.00 H new