USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 hydrogens (10 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.036) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : B 47 MET CE :methyl -167:sc=-0.00293 (180deg=-0.00959) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.066) USER MOD Single : B 53 ASN : amide:sc= -0.245 K(o=-0.24,f=-0.76) USER MOD Single : B 54 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 65 LYS NZ :NH3+ 149:sc= -0.115 (180deg=-0.604) USER MOD Single : B 66 MET CE :methyl 175:sc= 0 (180deg=-0.0213) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 20.934 9.994 -0.323 1.00 0.00 C HETATM 2 O ACE A 1 21.153 9.805 0.878 1.00 0.00 O HETATM 3 CH3 ACE A 1 22.045 10.581 -1.269 1.00 0.00 C HETATM 0 H1 ACE A 1 22.258 9.868 -2.066 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.695 11.517 -1.704 1.00 0.00 H new HETATM 0 H3 ACE A 1 22.953 10.765 -0.694 1.00 0.00 H new ATOM 7 N LYS A 2 19.721 9.773 -0.860 1.00 0.00 N ATOM 8 CA LYS A 2 18.565 9.223 -0.082 1.00 0.00 C ATOM 9 C LYS A 2 18.376 7.695 -0.402 1.00 0.00 C ATOM 10 O LYS A 2 17.941 7.320 -1.495 1.00 0.00 O ATOM 11 CB LYS A 2 17.275 10.064 -0.346 1.00 0.00 C ATOM 12 CG LYS A 2 17.030 11.274 0.604 1.00 0.00 C ATOM 13 CD LYS A 2 16.389 12.507 -0.074 1.00 0.00 C ATOM 14 CE LYS A 2 17.423 13.629 -0.282 1.00 0.00 C ATOM 15 NZ LYS A 2 17.163 14.721 0.695 1.00 0.00 N ATOM 0 H LYS A 2 19.501 9.965 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 2 18.773 9.302 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.313 10.436 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.414 9.399 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.387 10.951 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.982 11.572 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.965 12.217 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.567 12.876 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.432 13.239 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.361 14.013 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.859 15.482 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.205 15.098 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.243 14.348 1.662 1.00 0.00 H new ATOM 29 N SER A 3 18.643 6.818 0.583 1.00 0.00 N ATOM 30 CA SER A 3 18.669 5.335 0.384 1.00 0.00 C ATOM 31 C SER A 3 17.243 4.745 0.088 1.00 0.00 C ATOM 32 O SER A 3 16.217 5.337 0.441 1.00 0.00 O ATOM 33 CB SER A 3 19.372 4.738 1.627 1.00 0.00 C ATOM 34 OG SER A 3 18.508 4.655 2.765 1.00 0.00 O ATOM 0 H SER A 3 18.848 7.104 1.540 1.00 0.00 H new ATOM 0 HA SER A 3 19.231 5.061 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.744 3.742 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.238 5.350 1.878 1.00 0.00 H new ATOM 0 HG SER A 3 18.999 4.271 3.521 1.00 0.00 H new ATOM 40 N GLU A 4 17.182 3.554 -0.535 1.00 0.00 N ATOM 41 CA GLU A 4 15.936 3.019 -1.170 1.00 0.00 C ATOM 42 C GLU A 4 15.967 1.453 -1.286 1.00 0.00 C ATOM 43 O GLU A 4 14.923 0.796 -1.374 1.00 0.00 O ATOM 44 CB GLU A 4 15.549 3.795 -2.465 1.00 0.00 C ATOM 45 CG GLU A 4 14.727 5.116 -2.394 1.00 0.00 C ATOM 46 CD GLU A 4 15.505 6.316 -2.899 1.00 0.00 C ATOM 47 OE1 GLU A 4 16.195 6.184 -3.932 1.00 0.00 O ATOM 48 OE2 GLU A 4 15.288 7.448 -2.424 1.00 0.00 O ATOM 0 H GLU A 4 17.983 2.929 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 4 15.097 3.216 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.477 4.024 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.989 3.104 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.816 5.005 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.421 5.294 -1.363 1.00 0.00 H new ATOM 55 N GLU A 5 17.171 0.859 -1.354 1.00 0.00 N ATOM 56 CA GLU A 5 17.351 -0.627 -1.397 1.00 0.00 C ATOM 57 C GLU A 5 16.388 -1.412 -0.435 1.00 0.00 C ATOM 58 O GLU A 5 15.829 -2.453 -0.797 1.00 0.00 O ATOM 59 CB GLU A 5 18.867 -0.965 -1.220 1.00 0.00 C ATOM 60 CG GLU A 5 19.275 -2.427 -0.852 1.00 0.00 C ATOM 61 CD GLU A 5 20.557 -2.591 -0.044 1.00 0.00 C ATOM 62 OE1 GLU A 5 21.656 -2.524 -0.631 1.00 0.00 O ATOM 63 OE2 GLU A 5 20.471 -2.831 1.178 1.00 0.00 O ATOM 0 H GLU A 5 18.048 1.379 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 5 17.043 -0.987 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.374 -0.705 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 5 19.263 -0.307 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.457 -2.879 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.379 -2.995 -1.776 1.00 0.00 H new ATOM 70 N GLU A 6 16.233 -0.936 0.813 1.00 0.00 N ATOM 71 CA GLU A 6 15.436 -1.627 1.874 1.00 0.00 C ATOM 72 C GLU A 6 13.883 -1.577 1.639 1.00 0.00 C ATOM 73 O GLU A 6 13.179 -2.580 1.800 1.00 0.00 O ATOM 74 CB GLU A 6 15.898 -1.120 3.281 1.00 0.00 C ATOM 75 CG GLU A 6 17.426 -0.988 3.571 1.00 0.00 C ATOM 76 CD GLU A 6 17.925 -1.603 4.873 1.00 0.00 C ATOM 77 OE1 GLU A 6 17.185 -2.402 5.483 1.00 0.00 O ATOM 78 OE2 GLU A 6 19.074 -1.326 5.273 1.00 0.00 O ATOM 0 H GLU A 6 16.652 -0.061 1.127 1.00 0.00 H new ATOM 0 HA GLU A 6 15.646 -2.695 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.446 -0.141 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.478 -1.793 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.971 -1.446 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.683 0.071 3.573 1.00 0.00 H new ATOM 85 N LEU A 7 13.339 -0.389 1.320 1.00 0.00 N ATOM 86 CA LEU A 7 11.895 -0.203 0.975 1.00 0.00 C ATOM 87 C LEU A 7 11.550 -0.809 -0.433 1.00 0.00 C ATOM 88 O LEU A 7 10.459 -1.348 -0.649 1.00 0.00 O ATOM 89 CB LEU A 7 11.525 1.310 1.071 1.00 0.00 C ATOM 90 CG LEU A 7 11.506 1.967 2.478 1.00 0.00 C ATOM 91 CD1 LEU A 7 10.079 2.406 2.842 1.00 0.00 C ATOM 92 CD2 LEU A 7 12.039 1.037 3.582 1.00 0.00 C ATOM 0 H LEU A 7 13.878 0.477 1.291 1.00 0.00 H new ATOM 0 HA LEU A 7 11.288 -0.751 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.229 1.866 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.538 1.441 0.628 1.00 0.00 H new ATOM 0 HG LEU A 7 12.169 2.830 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.081 2.865 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.722 3.128 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.421 1.537 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.001 1.552 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.425 0.138 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.070 0.761 3.359 1.00 0.00 H new ATOM 104 N ALA A 8 12.477 -0.699 -1.402 1.00 0.00 N ATOM 105 CA ALA A 8 12.401 -1.441 -2.700 1.00 0.00 C ATOM 106 C ALA A 8 12.305 -3.003 -2.559 1.00 0.00 C ATOM 107 O ALA A 8 11.323 -3.626 -2.977 1.00 0.00 O ATOM 108 CB ALA A 8 13.639 -0.991 -3.502 1.00 0.00 C ATOM 0 H ALA A 8 13.299 -0.101 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 8 11.470 -1.198 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.650 -1.496 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.600 0.087 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.543 -1.246 -2.949 1.00 0.00 H new ATOM 114 N ASN A 9 13.325 -3.634 -1.950 1.00 0.00 N ATOM 115 CA ASN A 9 13.228 -5.005 -1.359 1.00 0.00 C ATOM 116 C ASN A 9 11.821 -5.311 -0.730 1.00 0.00 C ATOM 117 O ASN A 9 11.040 -6.108 -1.261 1.00 0.00 O ATOM 118 CB ASN A 9 14.386 -5.166 -0.324 1.00 0.00 C ATOM 119 CG ASN A 9 15.791 -5.338 -0.908 1.00 0.00 C ATOM 120 OD1 ASN A 9 15.958 -5.593 -2.095 1.00 0.00 O ATOM 121 ND2 ASN A 9 16.823 -5.163 -0.124 1.00 0.00 N ATOM 0 H ASN A 9 14.249 -3.215 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 9 13.334 -5.742 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.389 -4.291 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.167 -6.029 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.768 -5.239 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.683 -4.951 0.864 1.00 0.00 H new ATOM 128 N ALA A 10 11.503 -4.680 0.415 1.00 0.00 N ATOM 129 CA ALA A 10 10.284 -4.996 1.224 1.00 0.00 C ATOM 130 C ALA A 10 8.920 -4.770 0.477 1.00 0.00 C ATOM 131 O ALA A 10 7.927 -5.458 0.737 1.00 0.00 O ATOM 132 CB ALA A 10 10.409 -4.142 2.504 1.00 0.00 C ATOM 0 H ALA A 10 12.075 -3.936 0.815 1.00 0.00 H new ATOM 0 HA ALA A 10 10.252 -6.063 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.548 -4.322 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.321 -4.414 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.446 -3.086 2.235 1.00 0.00 H new ATOM 138 N PHE A 11 8.858 -3.768 -0.418 1.00 0.00 N ATOM 139 CA PHE A 11 7.661 -3.489 -1.272 1.00 0.00 C ATOM 140 C PHE A 11 7.418 -4.616 -2.338 1.00 0.00 C ATOM 141 O PHE A 11 6.276 -5.010 -2.604 1.00 0.00 O ATOM 142 CB PHE A 11 7.830 -2.082 -1.938 1.00 0.00 C ATOM 143 CG PHE A 11 6.753 -1.606 -2.935 1.00 0.00 C ATOM 144 CD1 PHE A 11 5.471 -2.169 -2.954 1.00 0.00 C ATOM 145 CD2 PHE A 11 7.068 -0.605 -3.863 1.00 0.00 C ATOM 146 CE1 PHE A 11 4.508 -1.705 -3.852 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.100 -0.126 -4.742 1.00 0.00 C ATOM 148 CZ PHE A 11 4.816 -0.662 -4.722 1.00 0.00 C ATOM 0 H PHE A 11 9.630 -3.121 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 11 6.772 -3.482 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.893 -1.343 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.789 -2.074 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.226 -2.967 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.069 -0.202 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.526 -2.154 -3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.346 0.661 -5.439 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.057 -0.269 -5.382 1.00 0.00 H new ATOM 158 N ARG A 12 8.494 -5.136 -2.955 1.00 0.00 N ATOM 159 CA ARG A 12 8.481 -6.434 -3.699 1.00 0.00 C ATOM 160 C ARG A 12 8.061 -7.652 -2.799 1.00 0.00 C ATOM 161 O ARG A 12 7.364 -8.569 -3.249 1.00 0.00 O ATOM 162 CB ARG A 12 9.862 -6.649 -4.390 1.00 0.00 C ATOM 163 CG ARG A 12 10.365 -5.438 -5.219 1.00 0.00 C ATOM 164 CD ARG A 12 11.896 -5.310 -5.225 1.00 0.00 C ATOM 165 NE ARG A 12 12.264 -4.267 -6.223 1.00 0.00 N ATOM 166 CZ ARG A 12 13.408 -3.599 -6.257 1.00 0.00 C ATOM 167 NH1 ARG A 12 14.363 -3.759 -5.383 1.00 0.00 N ATOM 168 NH2 ARG A 12 13.583 -2.741 -7.210 1.00 0.00 N ATOM 0 H ARG A 12 9.405 -4.677 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 12 7.711 -6.378 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.603 -6.882 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.795 -7.518 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.010 -5.534 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.931 -4.523 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.260 -5.036 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.358 -6.263 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 12 11.575 -4.048 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.250 -4.428 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.222 -3.215 -5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.852 -2.596 -7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.452 -2.210 -7.265 1.00 0.00 H new ATOM 182 N ILE A 13 8.516 -7.678 -1.536 1.00 0.00 N ATOM 183 CA ILE A 13 8.415 -8.862 -0.626 1.00 0.00 C ATOM 184 C ILE A 13 6.925 -9.075 -0.174 1.00 0.00 C ATOM 185 O ILE A 13 6.468 -10.206 0.023 1.00 0.00 O ATOM 186 CB ILE A 13 9.420 -8.744 0.593 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.919 -9.005 0.237 1.00 0.00 C ATOM 188 CG2 ILE A 13 9.036 -9.690 1.768 1.00 0.00 C ATOM 189 CD1 ILE A 13 11.341 -10.485 0.135 1.00 0.00 C ATOM 0 H ILE A 13 8.971 -6.876 -1.100 1.00 0.00 H new ATOM 0 HA ILE A 13 8.716 -9.754 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 13 9.324 -7.700 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.136 -8.519 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.541 -8.521 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.754 -9.573 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.038 -9.437 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.046 -10.723 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.400 -10.545 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.166 -10.980 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.755 -10.978 -0.641 1.00 0.00 H new ATOM 201 N PHE A 14 6.167 -7.976 -0.008 1.00 0.00 N ATOM 202 CA PHE A 14 4.678 -8.014 0.136 1.00 0.00 C ATOM 203 C PHE A 14 4.019 -8.644 -1.143 1.00 0.00 C ATOM 204 O PHE A 14 3.058 -9.416 -1.055 1.00 0.00 O ATOM 205 CB PHE A 14 4.151 -6.565 0.381 1.00 0.00 C ATOM 206 CG PHE A 14 4.436 -5.933 1.758 1.00 0.00 C ATOM 207 CD1 PHE A 14 5.443 -6.446 2.583 1.00 0.00 C ATOM 208 CD2 PHE A 14 3.672 -4.850 2.204 1.00 0.00 C ATOM 209 CE1 PHE A 14 5.682 -5.884 3.835 1.00 0.00 C ATOM 210 CE2 PHE A 14 3.909 -4.290 3.457 1.00 0.00 C ATOM 211 CZ PHE A 14 4.916 -4.806 4.270 1.00 0.00 C ATOM 0 H PHE A 14 6.556 -7.034 0.032 1.00 0.00 H new ATOM 0 HA PHE A 14 4.409 -8.638 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.579 -5.916 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.072 -6.568 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.038 -7.282 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.894 -4.446 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.461 -6.284 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.313 -3.457 3.798 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.103 -4.369 5.240 1.00 0.00 H new ATOM 221 N ASP A 15 4.512 -8.279 -2.340 1.00 0.00 N ATOM 222 CA ASP A 15 3.771 -8.462 -3.629 1.00 0.00 C ATOM 223 C ASP A 15 3.752 -9.956 -4.111 1.00 0.00 C ATOM 224 O ASP A 15 4.730 -10.695 -3.951 1.00 0.00 O ATOM 225 CB ASP A 15 4.376 -7.452 -4.653 1.00 0.00 C ATOM 226 CG ASP A 15 3.718 -7.394 -6.030 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.887 -8.334 -6.837 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.049 -6.384 -6.329 1.00 0.00 O ATOM 0 H ASP A 15 5.430 -7.850 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 15 2.711 -8.240 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.334 -6.455 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.430 -7.696 -4.789 1.00 0.00 H new ATOM 233 N LYS A 16 2.623 -10.411 -4.684 1.00 0.00 N ATOM 234 CA LYS A 16 2.312 -11.867 -4.842 1.00 0.00 C ATOM 235 C LYS A 16 1.945 -12.169 -6.340 1.00 0.00 C ATOM 236 O LYS A 16 1.197 -13.112 -6.634 1.00 0.00 O ATOM 237 CB LYS A 16 1.197 -12.318 -3.837 1.00 0.00 C ATOM 238 CG LYS A 16 1.441 -12.093 -2.314 1.00 0.00 C ATOM 239 CD LYS A 16 0.948 -13.244 -1.413 1.00 0.00 C ATOM 240 CE LYS A 16 1.326 -14.664 -1.860 1.00 0.00 C ATOM 241 NZ LYS A 16 0.084 -15.488 -1.766 1.00 0.00 N ATOM 0 H LYS A 16 1.898 -9.796 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 16 3.195 -12.457 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.277 -11.800 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.020 -13.382 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.508 -11.949 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.943 -11.172 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.340 -13.085 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.138 -13.184 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.711 -14.659 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.111 -15.074 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.292 -16.464 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.259 -15.488 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.647 -15.087 -2.388 1.00 0.00 H new ATOM 255 N ASN A 17 2.520 -11.416 -7.295 1.00 0.00 N ATOM 256 CA ASN A 17 2.272 -11.615 -8.759 1.00 0.00 C ATOM 257 C ASN A 17 3.171 -10.731 -9.697 1.00 0.00 C ATOM 258 O ASN A 17 3.676 -11.194 -10.726 1.00 0.00 O ATOM 259 CB ASN A 17 0.755 -11.390 -9.051 1.00 0.00 C ATOM 260 CG ASN A 17 0.183 -9.972 -9.238 1.00 0.00 C ATOM 261 OD1 ASN A 17 -0.298 -9.368 -8.289 1.00 0.00 O ATOM 262 ND2 ASN A 17 0.193 -9.401 -10.415 1.00 0.00 N ATOM 0 H ASN A 17 3.167 -10.655 -7.090 1.00 0.00 H new ATOM 0 HA ASN A 17 2.558 -12.640 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.518 -11.951 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.201 -11.852 -8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.197 -8.466 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.590 -9.891 -11.216 1.00 0.00 H new ATOM 269 N ALA A 18 3.405 -9.463 -9.315 1.00 0.00 N ATOM 270 CA ALA A 18 4.602 -8.664 -9.722 1.00 0.00 C ATOM 271 C ALA A 18 4.477 -7.956 -11.119 1.00 0.00 C ATOM 272 O ALA A 18 5.391 -8.011 -11.950 1.00 0.00 O ATOM 273 CB ALA A 18 5.795 -9.640 -9.657 1.00 0.00 C ATOM 0 H ALA A 18 2.768 -8.947 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 18 4.728 -7.820 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.708 -9.118 -9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.899 -10.021 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.622 -10.472 -10.340 1.00 0.00 H new ATOM 279 N ASP A 19 3.318 -7.333 -11.398 1.00 0.00 N ATOM 280 CA ASP A 19 3.205 -6.195 -12.362 1.00 0.00 C ATOM 281 C ASP A 19 3.899 -4.887 -11.836 1.00 0.00 C ATOM 282 O ASP A 19 4.272 -4.001 -12.612 1.00 0.00 O ATOM 283 CB ASP A 19 1.696 -6.034 -12.718 1.00 0.00 C ATOM 284 CG ASP A 19 1.043 -7.209 -13.447 1.00 0.00 C ATOM 285 OD1 ASP A 19 1.160 -7.310 -14.687 1.00 0.00 O ATOM 286 OD2 ASP A 19 0.378 -8.027 -12.779 1.00 0.00 O ATOM 0 H ASP A 19 2.430 -7.594 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 19 3.755 -6.408 -13.278 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.144 -5.854 -11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.583 -5.143 -13.336 1.00 0.00 H new ATOM 291 N GLY A 20 4.091 -4.779 -10.509 1.00 0.00 N ATOM 292 CA GLY A 20 4.858 -3.659 -9.875 1.00 0.00 C ATOM 293 C GLY A 20 4.154 -2.971 -8.649 1.00 0.00 C ATOM 294 O GLY A 20 4.811 -2.399 -7.772 1.00 0.00 O ATOM 0 H GLY A 20 3.726 -5.455 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.825 -4.042 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.054 -2.900 -10.633 1.00 0.00 H new ATOM 298 N TYR A 21 2.809 -2.970 -8.624 1.00 0.00 N ATOM 299 CA TYR A 21 2.001 -2.134 -7.681 1.00 0.00 C ATOM 300 C TYR A 21 1.316 -3.010 -6.571 1.00 0.00 C ATOM 301 O TYR A 21 1.278 -4.243 -6.662 1.00 0.00 O ATOM 302 CB TYR A 21 0.898 -1.332 -8.450 1.00 0.00 C ATOM 303 CG TYR A 21 1.119 -1.103 -9.957 1.00 0.00 C ATOM 304 CD1 TYR A 21 0.803 -2.093 -10.888 1.00 0.00 C ATOM 305 CD2 TYR A 21 1.590 0.140 -10.401 1.00 0.00 C ATOM 306 CE1 TYR A 21 0.984 -1.858 -12.253 1.00 0.00 C ATOM 307 CE2 TYR A 21 1.780 0.365 -11.763 1.00 0.00 C ATOM 308 CZ TYR A 21 1.478 -0.627 -12.683 1.00 0.00 C ATOM 309 OH TYR A 21 1.701 -0.400 -14.016 1.00 0.00 O ATOM 0 H TYR A 21 2.242 -3.542 -9.249 1.00 0.00 H new ATOM 0 HA TYR A 21 2.692 -1.439 -7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.050 -1.854 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.793 -0.358 -7.972 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.417 -3.044 -10.552 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.805 0.923 -9.688 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.742 -2.627 -12.972 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.164 1.315 -12.103 1.00 0.00 H new ATOM 0 HH TYR A 21 2.044 0.509 -14.140 1.00 0.00 H new ATOM 319 N ILE A 22 0.782 -2.373 -5.514 1.00 0.00 N ATOM 320 CA ILE A 22 -0.148 -3.018 -4.535 1.00 0.00 C ATOM 321 C ILE A 22 -1.641 -2.722 -4.924 1.00 0.00 C ATOM 322 O ILE A 22 -1.941 -1.735 -5.606 1.00 0.00 O ATOM 323 CB ILE A 22 0.190 -2.609 -3.041 1.00 0.00 C ATOM 324 CG1 ILE A 22 1.706 -2.682 -2.668 1.00 0.00 C ATOM 325 CG2 ILE A 22 -0.600 -3.458 -2.003 1.00 0.00 C ATOM 326 CD1 ILE A 22 2.024 -2.871 -1.172 1.00 0.00 C ATOM 0 H ILE A 22 0.976 -1.394 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.006 -4.098 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.116 -1.564 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.157 -3.505 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.188 -1.766 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.334 -3.140 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.670 -3.318 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.350 -4.511 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.104 -2.908 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.612 -2.037 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.581 -3.803 -0.821 1.00 0.00 H new ATOM 338 N ASP A 23 -2.585 -3.546 -4.437 1.00 0.00 N ATOM 339 CA ASP A 23 -4.044 -3.412 -4.739 1.00 0.00 C ATOM 340 C ASP A 23 -4.925 -3.300 -3.443 1.00 0.00 C ATOM 341 O ASP A 23 -4.417 -3.292 -2.317 1.00 0.00 O ATOM 342 CB ASP A 23 -4.432 -4.586 -5.690 1.00 0.00 C ATOM 343 CG ASP A 23 -4.168 -5.998 -5.167 1.00 0.00 C ATOM 344 OD1 ASP A 23 -5.069 -6.572 -4.523 1.00 0.00 O ATOM 345 OD2 ASP A 23 -3.077 -6.556 -5.417 1.00 0.00 O ATOM 0 H ASP A 23 -2.370 -4.329 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.247 -2.470 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.493 -4.501 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.889 -4.461 -6.627 1.00 0.00 H new ATOM 350 N ILE A 24 -6.258 -3.212 -3.608 1.00 0.00 N ATOM 351 CA ILE A 24 -7.228 -3.136 -2.470 1.00 0.00 C ATOM 352 C ILE A 24 -7.245 -4.494 -1.679 1.00 0.00 C ATOM 353 O ILE A 24 -7.395 -4.519 -0.453 1.00 0.00 O ATOM 354 CB ILE A 24 -8.672 -2.684 -2.947 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.522 -1.946 -1.864 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.514 -3.877 -3.486 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.092 -2.168 -0.400 1.00 0.00 C ATOM 0 H ILE A 24 -6.704 -3.191 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.891 -2.360 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.457 -1.972 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.491 -0.877 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.560 -2.261 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.494 -3.518 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.003 -4.328 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.636 -4.621 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.752 -1.608 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.153 -3.230 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.067 -1.824 -0.266 1.00 0.00 H new ATOM 369 N GLU A 25 -7.120 -5.629 -2.389 1.00 0.00 N ATOM 370 CA GLU A 25 -7.076 -6.991 -1.769 1.00 0.00 C ATOM 371 C GLU A 25 -5.767 -7.271 -0.947 1.00 0.00 C ATOM 372 O GLU A 25 -5.772 -8.022 0.034 1.00 0.00 O ATOM 373 CB GLU A 25 -7.402 -8.066 -2.857 1.00 0.00 C ATOM 374 CG GLU A 25 -8.066 -9.408 -2.413 1.00 0.00 C ATOM 375 CD GLU A 25 -7.589 -10.669 -3.122 1.00 0.00 C ATOM 376 OE1 GLU A 25 -6.388 -10.755 -3.452 1.00 0.00 O ATOM 377 OE2 GLU A 25 -8.399 -11.598 -3.317 1.00 0.00 O ATOM 0 H GLU A 25 -7.046 -5.642 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.851 -7.048 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.057 -7.602 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.471 -8.312 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.899 -9.534 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.143 -9.321 -2.559 1.00 0.00 H new ATOM 384 N GLU A 26 -4.628 -6.711 -1.392 1.00 0.00 N ATOM 385 CA GLU A 26 -3.313 -6.821 -0.687 1.00 0.00 C ATOM 386 C GLU A 26 -3.193 -5.907 0.585 1.00 0.00 C ATOM 387 O GLU A 26 -2.514 -6.250 1.559 1.00 0.00 O ATOM 388 CB GLU A 26 -2.154 -6.647 -1.724 1.00 0.00 C ATOM 389 CG GLU A 26 -1.973 -7.727 -2.837 1.00 0.00 C ATOM 390 CD GLU A 26 -0.850 -7.487 -3.839 1.00 0.00 C ATOM 391 OE1 GLU A 26 -0.190 -6.431 -3.769 1.00 0.00 O ATOM 392 OE2 GLU A 26 -0.622 -8.356 -4.705 1.00 0.00 O ATOM 0 H GLU A 26 -4.581 -6.165 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.232 -7.822 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.294 -5.685 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.219 -6.587 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.800 -8.689 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.910 -7.810 -3.388 1.00 0.00 H new ATOM 399 N LEU A 27 -3.803 -4.709 0.547 1.00 0.00 N ATOM 400 CA LEU A 27 -3.872 -3.773 1.713 1.00 0.00 C ATOM 401 C LEU A 27 -4.212 -4.524 3.050 1.00 0.00 C ATOM 402 O LEU A 27 -3.437 -4.504 4.013 1.00 0.00 O ATOM 403 CB LEU A 27 -4.894 -2.633 1.396 1.00 0.00 C ATOM 404 CG LEU A 27 -5.125 -1.529 2.461 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.880 -0.139 1.851 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.538 -1.565 3.068 1.00 0.00 C ATOM 0 H LEU A 27 -4.266 -4.350 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.890 -3.327 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.571 -2.144 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.857 -3.099 1.188 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.414 -1.726 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.046 0.626 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.853 -0.076 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.567 0.020 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.637 -0.769 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.277 -1.423 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.703 -2.529 3.550 1.00 0.00 H new ATOM 418 N GLY A 28 -5.407 -5.136 3.133 1.00 0.00 N ATOM 419 CA GLY A 28 -5.917 -5.780 4.385 1.00 0.00 C ATOM 420 C GLY A 28 -5.097 -7.027 4.877 1.00 0.00 C ATOM 421 O GLY A 28 -4.736 -7.136 6.054 1.00 0.00 O ATOM 0 H GLY A 28 -6.053 -5.205 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.927 -5.035 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.951 -6.086 4.222 1.00 0.00 H new ATOM 425 N GLU A 29 -4.779 -7.959 3.960 1.00 0.00 N ATOM 426 CA GLU A 29 -3.882 -9.123 4.250 1.00 0.00 C ATOM 427 C GLU A 29 -2.417 -8.715 4.639 1.00 0.00 C ATOM 428 O GLU A 29 -1.795 -9.316 5.521 1.00 0.00 O ATOM 429 CB GLU A 29 -3.981 -10.155 3.078 1.00 0.00 C ATOM 430 CG GLU A 29 -5.180 -11.155 3.056 1.00 0.00 C ATOM 431 CD GLU A 29 -5.186 -12.231 4.135 1.00 0.00 C ATOM 432 OE1 GLU A 29 -4.103 -12.747 4.482 1.00 0.00 O ATOM 433 OE2 GLU A 29 -6.270 -12.545 4.667 1.00 0.00 O ATOM 0 H GLU A 29 -5.127 -7.939 3.001 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.236 -9.615 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.003 -9.593 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.062 -10.741 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.104 -10.582 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.197 -11.647 2.083 1.00 0.00 H new ATOM 440 N ILE A 30 -1.884 -7.642 4.021 1.00 0.00 N ATOM 441 CA ILE A 30 -0.676 -6.922 4.538 1.00 0.00 C ATOM 442 C ILE A 30 -0.838 -6.624 6.072 1.00 0.00 C ATOM 443 O ILE A 30 -0.112 -7.159 6.917 1.00 0.00 O ATOM 444 CB ILE A 30 -0.352 -5.622 3.691 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.453 -5.878 2.376 1.00 0.00 C ATOM 446 CG2 ILE A 30 0.417 -4.553 4.522 1.00 0.00 C ATOM 447 CD1 ILE A 30 0.346 -4.783 1.295 1.00 0.00 C ATOM 0 H ILE A 30 -2.263 -7.245 3.161 1.00 0.00 H new ATOM 0 HA ILE A 30 0.190 -7.573 4.419 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.340 -5.257 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.504 -6.003 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.116 -6.821 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.616 -3.681 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.186 -4.256 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.361 -4.973 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.944 -5.067 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.696 -4.669 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.714 -3.839 1.696 1.00 0.00 H new ATOM 459 N LEU A 31 -1.820 -5.776 6.441 1.00 0.00 N ATOM 460 CA LEU A 31 -1.884 -5.152 7.801 1.00 0.00 C ATOM 461 C LEU A 31 -2.104 -6.231 8.923 1.00 0.00 C ATOM 462 O LEU A 31 -1.879 -5.969 10.112 1.00 0.00 O ATOM 463 CB LEU A 31 -2.981 -4.042 7.833 1.00 0.00 C ATOM 464 CG LEU A 31 -4.360 -4.362 7.197 1.00 0.00 C ATOM 465 CD1 LEU A 31 -5.170 -5.288 8.119 1.00 0.00 C ATOM 466 CD2 LEU A 31 -5.191 -3.102 6.899 1.00 0.00 C ATOM 0 H LEU A 31 -2.584 -5.501 5.824 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.923 -4.681 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.149 -3.769 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.579 -3.161 7.333 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.152 -4.854 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.135 -5.504 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.624 -6.219 8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.327 -4.798 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.144 -3.391 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.372 -2.558 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.646 -2.463 6.204 1.00 0.00 H new ATOM 478 N ARG A 32 -2.603 -7.425 8.558 1.00 0.00 N ATOM 479 CA ARG A 32 -3.065 -8.456 9.543 1.00 0.00 C ATOM 480 C ARG A 32 -2.151 -9.734 9.493 1.00 0.00 C ATOM 481 O ARG A 32 -2.215 -10.598 10.376 1.00 0.00 O ATOM 482 CB ARG A 32 -4.569 -8.661 9.196 1.00 0.00 C ATOM 483 CG ARG A 32 -5.426 -9.270 10.326 1.00 0.00 C ATOM 484 CD ARG A 32 -6.932 -9.048 10.084 1.00 0.00 C ATOM 485 NE ARG A 32 -7.341 -7.794 10.778 1.00 0.00 N ATOM 486 CZ ARG A 32 -7.792 -7.710 12.024 1.00 0.00 C ATOM 487 NH1 ARG A 32 -7.891 -8.730 12.831 1.00 0.00 N ATOM 488 NH2 ARG A 32 -8.156 -6.549 12.465 1.00 0.00 N ATOM 0 H ARG A 32 -2.703 -7.714 7.585 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.978 -8.161 10.589 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.996 -7.698 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.639 -9.306 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.223 -10.338 10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.141 -8.824 11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.138 -8.975 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.505 -9.895 10.462 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.268 -6.925 10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.613 -9.659 12.515 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.246 -8.598 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.092 -5.731 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.507 -6.452 13.418 1.00 0.00 H new ATOM 502 N ALA A 33 -1.321 -9.872 8.444 1.00 0.00 N ATOM 503 CA ALA A 33 -0.399 -11.040 8.275 1.00 0.00 C ATOM 504 C ALA A 33 0.834 -11.052 9.248 1.00 0.00 C ATOM 505 O ALA A 33 1.348 -12.114 9.617 1.00 0.00 O ATOM 506 CB ALA A 33 0.018 -11.023 6.789 1.00 0.00 C ATOM 0 H ALA A 33 -1.260 -9.190 7.688 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.916 -11.961 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.696 -11.853 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.868 -11.121 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.521 -10.083 6.563 1.00 0.00 H new ATOM 512 N THR A 34 1.350 -9.865 9.612 1.00 0.00 N ATOM 513 CA THR A 34 2.771 -9.683 10.046 1.00 0.00 C ATOM 514 C THR A 34 2.913 -10.055 11.566 1.00 0.00 C ATOM 515 O THR A 34 2.330 -9.408 12.442 1.00 0.00 O ATOM 516 CB THR A 34 3.258 -8.230 9.727 1.00 0.00 C ATOM 517 OG1 THR A 34 3.637 -8.030 8.368 1.00 0.00 O ATOM 518 CG2 THR A 34 4.511 -7.878 10.546 1.00 0.00 C ATOM 0 H THR A 34 0.808 -9.001 9.618 1.00 0.00 H new ATOM 0 HA THR A 34 3.419 -10.357 9.486 1.00 0.00 H new ATOM 0 HB THR A 34 2.398 -7.606 9.970 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.927 -7.102 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.829 -6.863 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.281 -7.944 11.609 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.312 -8.576 10.304 1.00 0.00 H new ATOM 526 N GLY A 35 3.679 -11.117 11.875 1.00 0.00 N ATOM 527 CA GLY A 35 4.312 -11.308 13.220 1.00 0.00 C ATOM 528 C GLY A 35 5.078 -12.668 13.407 1.00 0.00 C ATOM 529 O GLY A 35 5.265 -13.150 14.530 1.00 0.00 O ATOM 0 H GLY A 35 3.884 -11.868 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.009 -10.489 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.537 -11.237 13.983 1.00 0.00 H new HETATM 533 N NH2 A 36 5.501 -13.300 12.298 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -14.116 -7.515 11.196 1.00 0.00 C HETATM 538 O ACE B 37 -13.320 -8.346 10.746 1.00 0.00 O HETATM 539 CH3 ACE B 37 -14.961 -7.817 12.488 1.00 0.00 C HETATM 0 H1 ACE B 37 -14.730 -7.078 13.255 1.00 0.00 H new HETATM 0 H2 ACE B 37 -16.023 -7.771 12.247 1.00 0.00 H new HETATM 0 H3 ACE B 37 -14.716 -8.812 12.858 1.00 0.00 H new ATOM 543 N VAL B 38 -14.246 -6.295 10.644 1.00 0.00 N ATOM 544 CA VAL B 38 -13.323 -5.767 9.590 1.00 0.00 C ATOM 545 C VAL B 38 -13.772 -6.344 8.200 1.00 0.00 C ATOM 546 O VAL B 38 -13.207 -7.322 7.698 1.00 0.00 O ATOM 547 CB VAL B 38 -11.822 -6.067 9.950 1.00 0.00 C ATOM 548 CG1 VAL B 38 -10.817 -5.146 9.213 1.00 0.00 C ATOM 549 CG2 VAL B 38 -11.509 -5.927 11.460 1.00 0.00 C ATOM 0 H VAL B 38 -14.984 -5.642 10.905 1.00 0.00 H new ATOM 0 HA VAL B 38 -13.385 -4.680 9.533 1.00 0.00 H new ATOM 0 HB VAL B 38 -11.699 -7.102 9.630 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -9.801 -5.407 9.507 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -10.927 -5.275 8.136 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -11.015 -4.107 9.476 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -10.456 -6.148 11.635 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -11.724 -4.909 11.783 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -12.126 -6.625 12.026 1.00 0.00 H new ATOM 559 N THR B 39 -14.784 -5.723 7.567 1.00 0.00 N ATOM 560 CA THR B 39 -15.334 -6.177 6.251 1.00 0.00 C ATOM 561 C THR B 39 -14.777 -5.265 5.099 1.00 0.00 C ATOM 562 O THR B 39 -13.905 -4.417 5.318 1.00 0.00 O ATOM 563 CB THR B 39 -16.897 -6.216 6.294 1.00 0.00 C ATOM 564 OG1 THR B 39 -17.466 -5.509 7.392 1.00 0.00 O ATOM 565 CG2 THR B 39 -17.409 -7.658 6.440 1.00 0.00 C ATOM 0 H THR B 39 -15.250 -4.896 7.940 1.00 0.00 H new ATOM 0 HA THR B 39 -15.005 -7.196 6.045 1.00 0.00 H new ATOM 0 HB THR B 39 -17.196 -5.749 5.355 1.00 0.00 H new ATOM 0 HG1 THR B 39 -18.443 -5.575 7.353 1.00 0.00 H new ATOM 0 HG21 THR B 39 -18.499 -7.656 6.467 1.00 0.00 H new ATOM 0 HG22 THR B 39 -17.068 -8.253 5.592 1.00 0.00 H new ATOM 0 HG23 THR B 39 -17.024 -8.089 7.364 1.00 0.00 H new ATOM 573 N GLU B 40 -15.294 -5.432 3.870 1.00 0.00 N ATOM 574 CA GLU B 40 -14.698 -4.851 2.627 1.00 0.00 C ATOM 575 C GLU B 40 -14.995 -3.321 2.434 1.00 0.00 C ATOM 576 O GLU B 40 -14.100 -2.527 2.125 1.00 0.00 O ATOM 577 CB GLU B 40 -15.079 -5.747 1.402 1.00 0.00 C ATOM 578 CG GLU B 40 -14.683 -5.270 -0.031 1.00 0.00 C ATOM 579 CD GLU B 40 -15.321 -3.974 -0.516 1.00 0.00 C ATOM 580 OE1 GLU B 40 -16.565 -3.874 -0.516 1.00 0.00 O ATOM 581 OE2 GLU B 40 -14.581 -3.049 -0.908 1.00 0.00 O ATOM 0 H GLU B 40 -16.140 -5.974 3.696 1.00 0.00 H new ATOM 0 HA GLU B 40 -13.613 -4.868 2.725 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -14.631 -6.728 1.559 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -16.160 -5.884 1.417 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -13.600 -5.150 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -14.938 -6.061 -0.737 1.00 0.00 H new ATOM 588 N GLU B 41 -16.270 -2.914 2.577 1.00 0.00 N ATOM 589 CA GLU B 41 -16.687 -1.478 2.500 1.00 0.00 C ATOM 590 C GLU B 41 -16.019 -0.561 3.586 1.00 0.00 C ATOM 591 O GLU B 41 -15.743 0.620 3.348 1.00 0.00 O ATOM 592 CB GLU B 41 -18.249 -1.397 2.451 1.00 0.00 C ATOM 593 CG GLU B 41 -19.076 -2.165 3.529 1.00 0.00 C ATOM 594 CD GLU B 41 -20.592 -2.064 3.421 1.00 0.00 C ATOM 595 OE1 GLU B 41 -21.159 -1.039 3.850 1.00 0.00 O ATOM 596 OE2 GLU B 41 -21.227 -3.007 2.906 1.00 0.00 O ATOM 0 H GLU B 41 -17.044 -3.556 2.748 1.00 0.00 H new ATOM 0 HA GLU B 41 -16.303 -1.056 1.571 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -18.527 -0.345 2.510 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -18.568 -1.757 1.473 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -18.800 -3.219 3.484 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -18.779 -1.799 4.512 1.00 0.00 H new ATOM 603 N ASP B 42 -15.799 -1.097 4.801 1.00 0.00 N ATOM 604 CA ASP B 42 -15.001 -0.414 5.868 1.00 0.00 C ATOM 605 C ASP B 42 -13.523 -0.121 5.424 1.00 0.00 C ATOM 606 O ASP B 42 -13.009 0.989 5.600 1.00 0.00 O ATOM 607 CB ASP B 42 -15.136 -1.267 7.166 1.00 0.00 C ATOM 608 CG ASP B 42 -16.500 -1.242 7.855 1.00 0.00 C ATOM 609 OD1 ASP B 42 -17.244 -0.259 7.664 1.00 0.00 O ATOM 610 OD2 ASP B 42 -16.843 -2.198 8.582 1.00 0.00 O ATOM 0 H ASP B 42 -16.161 -2.008 5.082 1.00 0.00 H new ATOM 0 HA ASP B 42 -15.393 0.583 6.067 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -14.895 -2.302 6.922 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -14.386 -0.925 7.879 1.00 0.00 H new ATOM 615 N ILE B 43 -12.816 -1.141 4.905 1.00 0.00 N ATOM 616 CA ILE B 43 -11.444 -0.980 4.328 1.00 0.00 C ATOM 617 C ILE B 43 -11.484 -0.009 3.094 1.00 0.00 C ATOM 618 O ILE B 43 -10.553 0.770 2.860 1.00 0.00 O ATOM 619 CB ILE B 43 -10.773 -2.377 3.991 1.00 0.00 C ATOM 620 CG1 ILE B 43 -10.206 -3.144 5.228 1.00 0.00 C ATOM 621 CG2 ILE B 43 -9.631 -2.246 2.942 1.00 0.00 C ATOM 622 CD1 ILE B 43 -10.201 -4.682 5.125 1.00 0.00 C ATOM 0 H ILE B 43 -13.165 -2.099 4.868 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.804 -0.524 5.083 1.00 0.00 H new ATOM 0 HB ILE B 43 -11.600 -2.959 3.585 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -9.184 -2.808 5.402 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -10.788 -2.860 6.105 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -9.203 -3.229 2.745 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -10.033 -1.833 2.017 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -8.856 -1.584 3.329 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -9.787 -5.107 6.039 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -11.221 -5.041 4.988 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -9.592 -4.988 4.274 1.00 0.00 H new ATOM 634 N GLU B 44 -12.548 -0.090 2.274 1.00 0.00 N ATOM 635 CA GLU B 44 -12.789 0.861 1.143 1.00 0.00 C ATOM 636 C GLU B 44 -13.026 2.345 1.603 1.00 0.00 C ATOM 637 O GLU B 44 -12.678 3.299 0.900 1.00 0.00 O ATOM 638 CB GLU B 44 -13.903 0.283 0.211 1.00 0.00 C ATOM 639 CG GLU B 44 -15.204 1.119 -0.014 1.00 0.00 C ATOM 640 CD GLU B 44 -15.540 1.477 -1.456 1.00 0.00 C ATOM 641 OE1 GLU B 44 -14.618 1.543 -2.295 1.00 0.00 O ATOM 642 OE2 GLU B 44 -16.727 1.725 -1.753 1.00 0.00 O ATOM 0 H GLU B 44 -13.268 -0.807 2.365 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.875 0.940 0.555 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -13.455 0.101 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -14.199 -0.686 0.612 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -16.043 0.563 0.404 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -15.118 2.044 0.556 1.00 0.00 H new ATOM 649 N ASP B 45 -13.658 2.534 2.775 1.00 0.00 N ATOM 650 CA ASP B 45 -13.783 3.863 3.451 1.00 0.00 C ATOM 651 C ASP B 45 -12.414 4.387 4.015 1.00 0.00 C ATOM 652 O ASP B 45 -12.049 5.554 3.834 1.00 0.00 O ATOM 653 CB ASP B 45 -14.922 3.742 4.509 1.00 0.00 C ATOM 654 CG ASP B 45 -16.335 3.540 3.964 1.00 0.00 C ATOM 655 OD1 ASP B 45 -16.596 3.960 2.819 1.00 0.00 O ATOM 656 OD2 ASP B 45 -17.183 2.934 4.654 1.00 0.00 O ATOM 0 H ASP B 45 -14.102 1.775 3.292 1.00 0.00 H new ATOM 0 HA ASP B 45 -14.058 4.637 2.734 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -14.688 2.907 5.170 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -14.917 4.644 5.121 1.00 0.00 H new ATOM 661 N LEU B 46 -11.653 3.517 4.703 1.00 0.00 N ATOM 662 CA LEU B 46 -10.286 3.844 5.217 1.00 0.00 C ATOM 663 C LEU B 46 -9.241 4.144 4.084 1.00 0.00 C ATOM 664 O LEU B 46 -8.449 5.089 4.169 1.00 0.00 O ATOM 665 CB LEU B 46 -9.814 2.684 6.161 1.00 0.00 C ATOM 666 CG LEU B 46 -8.439 2.797 6.864 1.00 0.00 C ATOM 667 CD1 LEU B 46 -8.452 2.058 8.209 1.00 0.00 C ATOM 668 CD2 LEU B 46 -7.281 2.266 6.005 1.00 0.00 C ATOM 0 H LEU B 46 -11.955 2.568 4.924 1.00 0.00 H new ATOM 0 HA LEU B 46 -10.350 4.776 5.779 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -10.570 2.563 6.936 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.809 1.765 5.575 1.00 0.00 H new ATOM 0 HG LEU B 46 -8.270 3.862 7.026 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -7.476 2.151 8.685 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -9.214 2.493 8.856 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -8.676 1.004 8.043 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.344 2.372 6.552 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -7.450 1.214 5.776 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.226 2.835 5.077 1.00 0.00 H new ATOM 680 N MET B 47 -9.198 3.294 3.040 1.00 0.00 N ATOM 681 CA MET B 47 -8.306 3.498 1.854 1.00 0.00 C ATOM 682 C MET B 47 -8.676 4.798 1.054 1.00 0.00 C ATOM 683 O MET B 47 -7.818 5.433 0.431 1.00 0.00 O ATOM 684 CB MET B 47 -8.368 2.240 0.948 1.00 0.00 C ATOM 685 CG MET B 47 -7.616 2.364 -0.391 1.00 0.00 C ATOM 686 SD MET B 47 -7.540 0.763 -1.207 1.00 0.00 S ATOM 687 CE MET B 47 -5.995 0.995 -2.097 1.00 0.00 C ATOM 0 H MET B 47 -9.770 2.451 2.983 1.00 0.00 H new ATOM 0 HA MET B 47 -7.285 3.638 2.208 1.00 0.00 H new ATOM 0 HB2 MET B 47 -7.960 1.393 1.500 1.00 0.00 H new ATOM 0 HB3 MET B 47 -9.413 2.011 0.741 1.00 0.00 H new ATOM 0 HG2 MET B 47 -8.120 3.085 -1.034 1.00 0.00 H new ATOM 0 HG3 MET B 47 -6.608 2.741 -0.217 1.00 0.00 H new ATOM 0 HE1 MET B 47 -5.883 0.208 -2.843 1.00 0.00 H new ATOM 0 HE2 MET B 47 -6.002 1.966 -2.592 1.00 0.00 H new ATOM 0 HE3 MET B 47 -5.161 0.951 -1.396 1.00 0.00 H new ATOM 697 N LYS B 48 -9.970 5.161 1.026 1.00 0.00 N ATOM 698 CA LYS B 48 -10.472 6.403 0.357 1.00 0.00 C ATOM 699 C LYS B 48 -10.372 7.632 1.330 1.00 0.00 C ATOM 700 O LYS B 48 -10.549 8.787 0.906 1.00 0.00 O ATOM 701 CB LYS B 48 -11.913 6.099 -0.173 1.00 0.00 C ATOM 702 CG LYS B 48 -12.041 5.102 -1.362 1.00 0.00 C ATOM 703 CD LYS B 48 -13.483 4.906 -1.911 1.00 0.00 C ATOM 704 CE LYS B 48 -13.748 5.469 -3.326 1.00 0.00 C ATOM 705 NZ LYS B 48 -14.049 6.928 -3.256 1.00 0.00 N ATOM 0 H LYS B 48 -10.709 4.610 1.463 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.859 6.687 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.503 5.711 0.657 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.368 7.043 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -11.404 5.448 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.655 4.133 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -13.707 3.839 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.182 5.374 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.878 5.301 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.584 4.940 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.225 7.293 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -14.893 7.081 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -13.240 7.430 -2.838 1.00 0.00 H new ATOM 719 N ASP B 49 -10.050 7.428 2.624 1.00 0.00 N ATOM 720 CA ASP B 49 -9.404 8.491 3.463 1.00 0.00 C ATOM 721 C ASP B 49 -7.946 8.827 2.987 1.00 0.00 C ATOM 722 O ASP B 49 -7.658 9.936 2.521 1.00 0.00 O ATOM 723 CB ASP B 49 -9.516 8.063 4.958 1.00 0.00 C ATOM 724 CG ASP B 49 -9.118 9.114 5.995 1.00 0.00 C ATOM 725 OD1 ASP B 49 -9.947 9.982 6.345 1.00 0.00 O ATOM 726 OD2 ASP B 49 -7.976 9.054 6.493 1.00 0.00 O ATOM 0 H ASP B 49 -10.219 6.552 3.118 1.00 0.00 H new ATOM 0 HA ASP B 49 -9.929 9.439 3.344 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -10.546 7.764 5.152 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -8.894 7.181 5.109 1.00 0.00 H new ATOM 731 N SER B 50 -7.008 7.873 3.134 1.00 0.00 N ATOM 732 CA SER B 50 -5.543 8.129 2.955 1.00 0.00 C ATOM 733 C SER B 50 -5.172 8.544 1.486 1.00 0.00 C ATOM 734 O SER B 50 -4.357 9.446 1.261 1.00 0.00 O ATOM 735 CB SER B 50 -4.765 6.846 3.381 1.00 0.00 C ATOM 736 OG SER B 50 -5.289 5.661 2.767 1.00 0.00 O ATOM 0 H SER B 50 -7.228 6.907 3.378 1.00 0.00 H new ATOM 0 HA SER B 50 -5.261 8.974 3.583 1.00 0.00 H new ATOM 0 HB2 SER B 50 -3.714 6.956 3.114 1.00 0.00 H new ATOM 0 HB3 SER B 50 -4.809 6.740 4.465 1.00 0.00 H new ATOM 0 HG SER B 50 -4.770 4.883 3.061 1.00 0.00 H new ATOM 742 N ASP B 51 -5.766 7.876 0.482 1.00 0.00 N ATOM 743 CA ASP B 51 -5.470 8.131 -0.964 1.00 0.00 C ATOM 744 C ASP B 51 -5.634 9.642 -1.359 1.00 0.00 C ATOM 745 O ASP B 51 -6.595 10.309 -0.957 1.00 0.00 O ATOM 746 CB ASP B 51 -6.343 7.141 -1.793 1.00 0.00 C ATOM 747 CG ASP B 51 -5.828 6.790 -3.189 1.00 0.00 C ATOM 748 OD1 ASP B 51 -4.596 6.714 -3.366 1.00 0.00 O ATOM 749 OD2 ASP B 51 -6.643 6.589 -4.116 1.00 0.00 O ATOM 0 H ASP B 51 -6.462 7.146 0.634 1.00 0.00 H new ATOM 0 HA ASP B 51 -4.420 7.940 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -6.446 6.217 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -7.341 7.567 -1.894 1.00 0.00 H new ATOM 754 N LYS B 52 -4.659 10.206 -2.095 1.00 0.00 N ATOM 755 CA LYS B 52 -4.856 11.442 -2.919 1.00 0.00 C ATOM 756 C LYS B 52 -5.702 11.109 -4.201 1.00 0.00 C ATOM 757 O LYS B 52 -6.937 11.144 -4.182 1.00 0.00 O ATOM 758 CB LYS B 52 -3.446 12.056 -3.204 1.00 0.00 C ATOM 759 CG LYS B 52 -2.270 11.065 -3.453 1.00 0.00 C ATOM 760 CD LYS B 52 -1.404 10.738 -2.203 1.00 0.00 C ATOM 761 CE LYS B 52 0.057 10.322 -2.485 1.00 0.00 C ATOM 762 NZ LYS B 52 0.835 11.482 -3.006 1.00 0.00 N ATOM 0 H LYS B 52 -3.712 9.830 -2.144 1.00 0.00 H new ATOM 0 HA LYS B 52 -5.437 12.199 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -3.531 12.704 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -3.178 12.691 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -2.678 10.134 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -1.623 11.481 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -1.393 11.613 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -1.890 9.935 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS B 52 0.518 9.947 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS B 52 0.077 9.508 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 1.846 11.239 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 0.511 11.714 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 0.692 12.303 -2.384 1.00 0.00 H new ATOM 776 N ASN B 53 -5.029 10.848 -5.336 1.00 0.00 N ATOM 777 CA ASN B 53 -5.602 11.054 -6.703 1.00 0.00 C ATOM 778 C ASN B 53 -6.900 10.209 -6.969 1.00 0.00 C ATOM 779 O ASN B 53 -7.695 10.521 -7.863 1.00 0.00 O ATOM 780 CB ASN B 53 -4.479 10.752 -7.745 1.00 0.00 C ATOM 781 CG ASN B 53 -3.632 9.505 -7.478 1.00 0.00 C ATOM 782 OD1 ASN B 53 -2.628 9.558 -6.777 1.00 0.00 O ATOM 783 ND2 ASN B 53 -4.004 8.368 -8.004 1.00 0.00 N ATOM 0 H ASN B 53 -4.074 10.489 -5.345 1.00 0.00 H new ATOM 0 HA ASN B 53 -5.931 12.089 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -4.940 10.650 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -3.814 11.615 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -3.459 7.524 -7.831 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.840 8.325 -8.587 1.00 0.00 H new ATOM 790 N ASN B 54 -7.081 9.098 -6.233 1.00 0.00 N ATOM 791 CA ASN B 54 -8.281 8.213 -6.354 1.00 0.00 C ATOM 792 C ASN B 54 -8.470 7.617 -7.795 1.00 0.00 C ATOM 793 O ASN B 54 -9.238 8.141 -8.610 1.00 0.00 O ATOM 794 CB ASN B 54 -9.527 9.027 -5.884 1.00 0.00 C ATOM 795 CG ASN B 54 -9.724 9.141 -4.370 1.00 0.00 C ATOM 796 OD1 ASN B 54 -9.521 8.185 -3.630 1.00 0.00 O ATOM 797 ND2 ASN B 54 -10.104 10.288 -3.870 1.00 0.00 N ATOM 0 H ASN B 54 -6.408 8.778 -5.536 1.00 0.00 H new ATOM 0 HA ASN B 54 -8.142 7.340 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.456 10.033 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.418 8.569 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.232 10.388 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.273 11.083 -4.487 1.00 0.00 H new ATOM 804 N ASP B 55 -7.734 6.541 -8.124 1.00 0.00 N ATOM 805 CA ASP B 55 -7.988 5.691 -9.329 1.00 0.00 C ATOM 806 C ASP B 55 -7.782 4.159 -9.049 1.00 0.00 C ATOM 807 O ASP B 55 -7.744 3.343 -9.982 1.00 0.00 O ATOM 808 CB ASP B 55 -7.120 6.263 -10.491 1.00 0.00 C ATOM 809 CG ASP B 55 -5.711 5.687 -10.630 1.00 0.00 C ATOM 810 OD1 ASP B 55 -4.827 6.009 -9.807 1.00 0.00 O ATOM 811 OD2 ASP B 55 -5.488 4.876 -11.552 1.00 0.00 O ATOM 0 H ASP B 55 -6.940 6.225 -7.567 1.00 0.00 H new ATOM 0 HA ASP B 55 -9.037 5.740 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -7.651 6.098 -11.428 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -7.037 7.342 -10.357 1.00 0.00 H new ATOM 816 N GLY B 56 -7.715 3.746 -7.771 1.00 0.00 N ATOM 817 CA GLY B 56 -8.073 2.356 -7.337 1.00 0.00 C ATOM 818 C GLY B 56 -6.874 1.465 -6.851 1.00 0.00 C ATOM 819 O GLY B 56 -7.062 0.490 -6.112 1.00 0.00 O ATOM 0 H GLY B 56 -7.416 4.349 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.802 2.424 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -8.564 1.850 -8.169 1.00 0.00 H new ATOM 823 N ARG B 57 -5.632 1.821 -7.228 1.00 0.00 N ATOM 824 CA ARG B 57 -4.405 1.054 -6.843 1.00 0.00 C ATOM 825 C ARG B 57 -3.380 1.878 -5.984 1.00 0.00 C ATOM 826 O ARG B 57 -3.493 3.102 -5.849 1.00 0.00 O ATOM 827 CB ARG B 57 -3.762 0.504 -8.149 1.00 0.00 C ATOM 828 CG ARG B 57 -4.632 -0.533 -8.899 1.00 0.00 C ATOM 829 CD ARG B 57 -3.856 -1.291 -9.987 1.00 0.00 C ATOM 830 NE ARG B 57 -4.582 -2.568 -10.232 1.00 0.00 N ATOM 831 CZ ARG B 57 -5.492 -2.817 -11.157 1.00 0.00 C ATOM 832 NH1 ARG B 57 -5.892 -1.937 -12.024 1.00 0.00 N ATOM 833 NH2 ARG B 57 -6.013 -3.996 -11.205 1.00 0.00 N ATOM 0 H ARG B 57 -5.438 2.640 -7.804 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.700 0.236 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.555 1.339 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -2.803 0.047 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -5.034 -1.248 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -5.482 -0.025 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -3.797 -0.700 -10.901 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -2.833 -1.485 -9.666 1.00 0.00 H new ATOM 0 HE ARG B 57 -4.349 -3.343 -9.611 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -5.500 -0.996 -12.013 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -6.599 -2.187 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -5.720 -4.710 -10.538 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -6.718 -4.214 -11.910 1.00 0.00 H new ATOM 847 N ILE B 58 -2.414 1.193 -5.345 1.00 0.00 N ATOM 848 CA ILE B 58 -1.250 1.836 -4.654 1.00 0.00 C ATOM 849 C ILE B 58 0.087 1.502 -5.404 1.00 0.00 C ATOM 850 O ILE B 58 0.358 0.345 -5.749 1.00 0.00 O ATOM 851 CB ILE B 58 -1.212 1.459 -3.113 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.390 2.070 -2.286 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.127 1.861 -2.429 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.450 1.678 -0.797 1.00 0.00 C ATOM 0 H ILE B 58 -2.407 0.175 -5.286 1.00 0.00 H new ATOM 0 HA ILE B 58 -1.372 2.918 -4.693 1.00 0.00 H new ATOM 0 HB ILE B 58 -1.314 0.374 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.328 3.156 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -3.328 1.775 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.097 1.579 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE B 58 0.954 1.347 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.269 2.938 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -3.307 2.161 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.550 0.596 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.535 1.999 -0.299 1.00 0.00 H new ATOM 866 N ASP B 59 0.961 2.507 -5.600 1.00 0.00 N ATOM 867 CA ASP B 59 2.369 2.318 -6.072 1.00 0.00 C ATOM 868 C ASP B 59 3.430 2.914 -5.079 1.00 0.00 C ATOM 869 O ASP B 59 3.081 3.513 -4.052 1.00 0.00 O ATOM 870 CB ASP B 59 2.452 2.881 -7.523 1.00 0.00 C ATOM 871 CG ASP B 59 2.213 4.382 -7.680 1.00 0.00 C ATOM 872 OD1 ASP B 59 3.173 5.159 -7.505 1.00 0.00 O ATOM 873 OD2 ASP B 59 1.079 4.797 -8.004 1.00 0.00 O ATOM 0 H ASP B 59 0.720 3.485 -5.437 1.00 0.00 H new ATOM 0 HA ASP B 59 2.628 1.259 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.438 2.647 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP B 59 1.724 2.352 -8.138 1.00 0.00 H new ATOM 878 N PHE B 60 4.732 2.786 -5.394 1.00 0.00 N ATOM 879 CA PHE B 60 5.840 2.932 -4.397 1.00 0.00 C ATOM 880 C PHE B 60 5.757 4.294 -3.619 1.00 0.00 C ATOM 881 O PHE B 60 6.066 4.365 -2.425 1.00 0.00 O ATOM 882 CB PHE B 60 7.216 2.768 -5.118 1.00 0.00 C ATOM 883 CG PHE B 60 8.470 2.521 -4.245 1.00 0.00 C ATOM 884 CD1 PHE B 60 8.362 2.192 -2.888 1.00 0.00 C ATOM 885 CD2 PHE B 60 9.739 2.594 -4.831 1.00 0.00 C ATOM 886 CE1 PHE B 60 9.510 1.990 -2.120 1.00 0.00 C ATOM 887 CE2 PHE B 60 10.884 2.383 -4.064 1.00 0.00 C ATOM 888 CZ PHE B 60 10.767 2.096 -2.707 1.00 0.00 C ATOM 0 H PHE B 60 5.058 2.580 -6.338 1.00 0.00 H new ATOM 0 HA PHE B 60 5.736 2.146 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.129 1.938 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.392 3.667 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE B 60 7.387 2.094 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE B 60 9.832 2.815 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE B 60 9.423 1.751 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE B 60 11.860 2.442 -4.522 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.655 1.955 -2.108 1.00 0.00 H new ATOM 898 N ASP B 61 5.260 5.365 -4.261 1.00 0.00 N ATOM 899 CA ASP B 61 4.943 6.662 -3.588 1.00 0.00 C ATOM 900 C ASP B 61 4.046 6.448 -2.305 1.00 0.00 C ATOM 901 O ASP B 61 4.465 6.426 -1.149 1.00 0.00 O ATOM 902 CB ASP B 61 4.209 7.566 -4.633 1.00 0.00 C ATOM 903 CG ASP B 61 3.219 8.618 -4.094 1.00 0.00 C ATOM 904 OD1 ASP B 61 3.420 9.129 -2.972 1.00 0.00 O ATOM 905 OD2 ASP B 61 2.223 8.897 -4.789 1.00 0.00 O ATOM 0 H ASP B 61 5.062 5.368 -5.262 1.00 0.00 H new ATOM 0 HA ASP B 61 5.863 7.136 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP B 61 4.967 8.086 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.667 6.915 -5.319 1.00 0.00 H new ATOM 910 N GLU B 62 2.703 6.352 -2.574 1.00 0.00 N ATOM 911 CA GLU B 62 1.670 5.855 -1.621 1.00 0.00 C ATOM 912 C GLU B 62 2.232 4.874 -0.532 1.00 0.00 C ATOM 913 O GLU B 62 1.768 4.882 0.621 1.00 0.00 O ATOM 914 CB GLU B 62 0.438 5.300 -2.414 1.00 0.00 C ATOM 915 CG GLU B 62 0.106 5.914 -3.811 1.00 0.00 C ATOM 916 CD GLU B 62 -1.370 6.111 -4.132 1.00 0.00 C ATOM 917 OE1 GLU B 62 -1.994 5.184 -4.688 1.00 0.00 O ATOM 918 OE2 GLU B 62 -1.909 7.203 -3.860 1.00 0.00 O ATOM 0 H GLU B 62 2.310 6.624 -3.475 1.00 0.00 H new ATOM 0 HA GLU B 62 1.323 6.702 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU B 62 0.589 4.229 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -0.442 5.420 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU B 62 0.604 6.881 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.539 5.272 -4.578 1.00 0.00 H new ATOM 925 N PHE B 63 3.196 4.005 -0.890 1.00 0.00 N ATOM 926 CA PHE B 63 3.860 3.089 0.095 1.00 0.00 C ATOM 927 C PHE B 63 4.647 3.886 1.198 1.00 0.00 C ATOM 928 O PHE B 63 4.490 3.652 2.401 1.00 0.00 O ATOM 929 CB PHE B 63 4.793 2.092 -0.663 1.00 0.00 C ATOM 930 CG PHE B 63 5.342 0.883 0.132 1.00 0.00 C ATOM 931 CD1 PHE B 63 6.259 1.079 1.178 1.00 0.00 C ATOM 932 CD2 PHE B 63 4.957 -0.419 -0.201 1.00 0.00 C ATOM 933 CE1 PHE B 63 6.846 -0.016 1.811 1.00 0.00 C ATOM 934 CE2 PHE B 63 5.534 -1.511 0.444 1.00 0.00 C ATOM 935 CZ PHE B 63 6.499 -1.309 1.427 1.00 0.00 C ATOM 0 H PHE B 63 3.540 3.908 -1.845 1.00 0.00 H new ATOM 0 HA PHE B 63 3.087 2.523 0.615 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.246 1.708 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.643 2.654 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE B 63 6.510 2.081 1.493 1.00 0.00 H new ATOM 0 HD2 PHE B 63 4.208 -0.579 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE B 63 7.569 0.138 2.598 1.00 0.00 H new ATOM 0 HE2 PHE B 63 5.233 -2.514 0.181 1.00 0.00 H new ATOM 0 HZ PHE B 63 6.979 -2.157 1.893 1.00 0.00 H new ATOM 945 N LEU B 64 5.536 4.805 0.770 1.00 0.00 N ATOM 946 CA LEU B 64 6.387 5.642 1.674 1.00 0.00 C ATOM 947 C LEU B 64 5.517 6.536 2.628 1.00 0.00 C ATOM 948 O LEU B 64 5.900 6.822 3.768 1.00 0.00 O ATOM 949 CB LEU B 64 7.388 6.481 0.817 1.00 0.00 C ATOM 950 CG LEU B 64 8.603 5.736 0.201 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.296 6.620 -0.848 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.639 5.304 1.252 1.00 0.00 C ATOM 0 H LEU B 64 5.693 4.997 -0.219 1.00 0.00 H new ATOM 0 HA LEU B 64 6.964 4.986 2.327 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.829 6.943 0.003 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.770 7.289 1.441 1.00 0.00 H new ATOM 0 HG LEU B 64 8.204 4.834 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.146 6.084 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.590 6.865 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.645 7.539 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.464 4.789 0.760 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.019 6.184 1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.170 4.633 1.971 1.00 0.00 H new ATOM 964 N LYS B 65 4.307 6.921 2.183 1.00 0.00 N ATOM 965 CA LYS B 65 3.301 7.627 3.040 1.00 0.00 C ATOM 966 C LYS B 65 2.547 6.574 3.931 1.00 0.00 C ATOM 967 O LYS B 65 2.334 6.785 5.130 1.00 0.00 O ATOM 968 CB LYS B 65 2.451 8.430 2.004 1.00 0.00 C ATOM 969 CG LYS B 65 2.942 9.831 1.562 1.00 0.00 C ATOM 970 CD LYS B 65 2.198 10.925 2.370 1.00 0.00 C ATOM 971 CE LYS B 65 0.732 11.188 1.992 1.00 0.00 C ATOM 972 NZ LYS B 65 -0.145 10.599 3.056 1.00 0.00 N ATOM 0 H LYS B 65 3.988 6.759 1.228 1.00 0.00 H new ATOM 0 HA LYS B 65 3.692 8.323 3.782 1.00 0.00 H new ATOM 0 HB2 LYS B 65 2.356 7.816 1.108 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.450 8.547 2.418 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.017 9.917 1.720 1.00 0.00 H new ATOM 0 HG3 LYS B 65 2.765 9.969 0.495 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.233 10.652 3.425 1.00 0.00 H new ATOM 0 HD3 LYS B 65 2.749 11.859 2.264 1.00 0.00 H new ATOM 0 HE2 LYS B 65 0.550 12.259 1.901 1.00 0.00 H new ATOM 0 HE3 LYS B 65 0.504 10.742 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -1.016 11.161 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -0.388 9.620 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 0.359 10.607 3.965 1.00 0.00 H new ATOM 986 N MET B 66 2.149 5.434 3.340 1.00 0.00 N ATOM 987 CA MET B 66 1.557 4.282 4.091 1.00 0.00 C ATOM 988 C MET B 66 2.463 3.726 5.247 1.00 0.00 C ATOM 989 O MET B 66 2.004 2.984 6.122 1.00 0.00 O ATOM 990 CB MET B 66 1.221 3.163 3.060 1.00 0.00 C ATOM 991 CG MET B 66 1.287 1.713 3.592 1.00 0.00 C ATOM 992 SD MET B 66 0.237 0.638 2.600 1.00 0.00 S ATOM 993 CE MET B 66 1.479 -0.572 2.117 1.00 0.00 C ATOM 0 H MET B 66 2.222 5.273 2.336 1.00 0.00 H new ATOM 0 HA MET B 66 0.661 4.641 4.597 1.00 0.00 H new ATOM 0 HB2 MET B 66 0.218 3.342 2.673 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.908 3.253 2.219 1.00 0.00 H new ATOM 0 HG2 MET B 66 2.316 1.354 3.565 1.00 0.00 H new ATOM 0 HG3 MET B 66 0.967 1.685 4.634 1.00 0.00 H new ATOM 0 HE1 MET B 66 1.003 -1.381 1.563 1.00 0.00 H new ATOM 0 HE2 MET B 66 2.228 -0.093 1.487 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.959 -0.976 3.008 1.00 0.00 H new ATOM 1003 N MET B 67 3.762 4.078 5.244 1.00 0.00 N ATOM 1004 CA MET B 67 4.666 3.893 6.423 1.00 0.00 C ATOM 1005 C MET B 67 4.583 5.135 7.381 1.00 0.00 C ATOM 1006 O MET B 67 4.279 5.006 8.572 1.00 0.00 O ATOM 1007 CB MET B 67 6.131 3.677 5.945 1.00 0.00 C ATOM 1008 CG MET B 67 6.418 2.319 5.272 1.00 0.00 C ATOM 1009 SD MET B 67 7.904 1.592 5.986 1.00 0.00 S ATOM 1010 CE MET B 67 7.146 0.530 7.227 1.00 0.00 C ATOM 0 H MET B 67 4.224 4.497 4.437 1.00 0.00 H new ATOM 0 HA MET B 67 4.342 3.011 6.975 1.00 0.00 H new ATOM 0 HB2 MET B 67 6.386 4.471 5.244 1.00 0.00 H new ATOM 0 HB3 MET B 67 6.794 3.784 6.803 1.00 0.00 H new ATOM 0 HG2 MET B 67 5.570 1.647 5.409 1.00 0.00 H new ATOM 0 HG3 MET B 67 6.547 2.454 4.198 1.00 0.00 H new ATOM 0 HE1 MET B 67 7.924 -0.004 7.773 1.00 0.00 H new ATOM 0 HE2 MET B 67 6.567 1.138 7.922 1.00 0.00 H new ATOM 0 HE3 MET B 67 6.487 -0.188 6.738 1.00 0.00 H new ATOM 1020 N GLU B 68 4.792 6.351 6.844 1.00 0.00 N ATOM 1021 CA GLU B 68 5.021 7.580 7.669 1.00 0.00 C ATOM 1022 C GLU B 68 3.766 8.031 8.499 1.00 0.00 C ATOM 1023 O GLU B 68 3.877 8.427 9.665 1.00 0.00 O ATOM 1024 CB GLU B 68 5.642 8.696 6.768 1.00 0.00 C ATOM 1025 CG GLU B 68 5.948 10.090 7.402 1.00 0.00 C ATOM 1026 CD GLU B 68 7.317 10.687 7.099 1.00 0.00 C ATOM 1027 OE1 GLU B 68 8.047 10.132 6.253 1.00 0.00 O ATOM 1028 OE2 GLU B 68 7.674 11.715 7.712 1.00 0.00 O ATOM 0 H GLU B 68 4.809 6.522 5.839 1.00 0.00 H new ATOM 0 HA GLU B 68 5.744 7.344 8.450 1.00 0.00 H new ATOM 0 HB2 GLU B 68 6.574 8.308 6.357 1.00 0.00 H new ATOM 0 HB3 GLU B 68 4.966 8.856 5.928 1.00 0.00 H new ATOM 0 HG2 GLU B 68 5.187 10.793 7.065 1.00 0.00 H new ATOM 0 HG3 GLU B 68 5.845 10.003 8.484 1.00 0.00 H new ATOM 1035 N GLY B 69 2.559 7.910 7.917 1.00 0.00 N ATOM 1036 CA GLY B 69 1.272 8.204 8.625 1.00 0.00 C ATOM 1037 C GLY B 69 0.556 9.531 8.183 1.00 0.00 C ATOM 1038 O GLY B 69 -0.103 9.587 7.139 1.00 0.00 O ATOM 0 H GLY B 69 2.434 7.609 6.950 1.00 0.00 H new ATOM 0 HA2 GLY B 69 0.589 7.370 8.465 1.00 0.00 H new ATOM 0 HA3 GLY B 69 1.468 8.255 9.696 1.00 0.00 H new ATOM 1042 N VAL B 70 0.743 10.621 8.949 1.00 0.00 N ATOM 1043 CA VAL B 70 0.483 12.018 8.480 1.00 0.00 C ATOM 1044 C VAL B 70 1.852 12.785 8.416 1.00 0.00 C ATOM 1045 O VAL B 70 2.837 12.393 9.052 1.00 0.00 O ATOM 1046 CB VAL B 70 -0.602 12.724 9.374 1.00 0.00 C ATOM 1047 CG1 VAL B 70 -0.895 14.184 8.948 1.00 0.00 C ATOM 1048 CG2 VAL B 70 -1.967 11.993 9.382 1.00 0.00 C ATOM 0 H VAL B 70 1.078 10.571 9.911 1.00 0.00 H new ATOM 0 HA VAL B 70 0.058 12.014 7.476 1.00 0.00 H new ATOM 0 HB VAL B 70 -0.151 12.698 10.366 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -1.652 14.610 9.606 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.019 14.773 9.017 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -1.259 14.197 7.921 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.666 12.535 10.018 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -2.361 11.947 8.367 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -1.836 10.982 9.767 1.00 0.00 H new ATOM 1058 N GLN B 71 1.904 13.904 7.672 1.00 0.00 N ATOM 1059 CA GLN B 71 3.077 14.835 7.669 1.00 0.00 C ATOM 1060 C GLN B 71 3.576 15.156 9.124 1.00 0.00 C ATOM 1061 O GLN B 71 4.491 14.509 9.645 1.00 0.00 O ATOM 1062 CB GLN B 71 2.686 16.080 6.825 1.00 0.00 C ATOM 1063 CG GLN B 71 2.403 15.771 5.326 1.00 0.00 C ATOM 1064 CD GLN B 71 1.806 16.911 4.497 1.00 0.00 C ATOM 1065 OE1 GLN B 71 2.151 17.136 3.345 1.00 0.00 O ATOM 1066 NE2 GLN B 71 0.893 17.667 5.050 1.00 0.00 N ATOM 0 H GLN B 71 1.147 14.199 7.056 1.00 0.00 H new ATOM 0 HA GLN B 71 3.946 14.370 7.203 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.800 16.539 7.264 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.489 16.814 6.888 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.338 15.462 4.858 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.724 14.920 5.275 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.597 17.490 6.010 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.477 18.434 4.521 1.00 0.00 H new HETATM 1075 N NH2 B 72 2.925 16.117 9.805 1.00 0.00 N TER 1078 NH2 B 72