USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 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 24 MET CE :methyl -173:sc= -0.141 (180deg=-0.254) USER MOD Set 1.2: A 28 ASN : amide:sc= -0.657 X(o=-0.8,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 1.02 (180deg=0.57) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.276 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 66:sc= -2.65! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.24) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 83 MET CE :methyl -168:sc= -1.61 (180deg=-1.99) USER MOD Single : A 89 LYS NZ :NH3+ 138:sc= 1.26 (180deg=0.902) USER MOD Single : A 93 SER OG : rot 44:sc= 0.419 USER MOD Single : A 94 HIS : no HE2:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 102 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-9.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 186.875 -7.963 3.124 1.00 0.00 N ATOM 81 CA LYS A 6 186.734 -7.048 1.998 1.00 0.00 C ATOM 82 C LYS A 6 185.484 -6.189 2.157 1.00 0.00 C ATOM 83 O LYS A 6 184.825 -6.227 3.197 1.00 0.00 O ATOM 84 CB LYS A 6 186.674 -7.829 0.683 1.00 0.00 C ATOM 85 CG LYS A 6 187.996 -7.859 -0.066 1.00 0.00 C ATOM 86 CD LYS A 6 188.439 -6.462 -0.473 1.00 0.00 C ATOM 87 CE LYS A 6 189.935 -6.272 -0.280 1.00 0.00 C ATOM 88 NZ LYS A 6 190.342 -4.849 -0.444 1.00 0.00 N ATOM 0 HA LYS A 6 187.604 -6.392 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 6 186.360 -8.852 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.912 -7.386 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 188.761 -8.316 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 6 187.898 -8.484 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 6 188.181 -6.288 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.898 -5.722 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 190.219 -6.618 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 6 190.475 -6.889 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 191.369 -4.763 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 190.094 -4.525 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 189.847 -4.263 0.259 1.00 0.00 H new ATOM 102 N LYS A 7 185.161 -5.414 1.127 1.00 0.00 N ATOM 103 CA LYS A 7 183.988 -4.549 1.170 1.00 0.00 C ATOM 104 C LYS A 7 183.280 -4.505 -0.181 1.00 0.00 C ATOM 105 O LYS A 7 183.772 -5.043 -1.173 1.00 0.00 O ATOM 106 CB LYS A 7 184.388 -3.135 1.594 1.00 0.00 C ATOM 107 CG LYS A 7 184.654 -2.999 3.085 1.00 0.00 C ATOM 108 CD LYS A 7 184.180 -1.655 3.617 1.00 0.00 C ATOM 109 CE LYS A 7 185.350 -0.750 3.971 1.00 0.00 C ATOM 110 NZ LYS A 7 185.071 0.070 5.182 1.00 0.00 N ATOM 0 H LYS A 7 185.692 -5.367 0.257 1.00 0.00 H new ATOM 0 HA LYS A 7 183.296 -4.963 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.282 -2.840 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.596 -2.442 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.148 -3.802 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.721 -3.111 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.555 -1.167 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.559 -1.810 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.240 -1.356 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 7 185.568 -0.092 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.612 0.957 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 184.055 0.287 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 185.351 -0.460 6.032 1.00 0.00 H new ATOM 124 N LEU A 8 182.116 -3.860 -0.206 1.00 0.00 N ATOM 125 CA LEU A 8 181.323 -3.739 -1.422 1.00 0.00 C ATOM 126 C LEU A 8 181.536 -2.372 -2.070 1.00 0.00 C ATOM 127 O LEU A 8 182.132 -1.480 -1.466 1.00 0.00 O ATOM 128 CB LEU A 8 179.840 -3.950 -1.090 1.00 0.00 C ATOM 129 CG LEU A 8 179.160 -5.084 -1.855 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.902 -5.537 -1.132 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.833 -4.649 -3.275 1.00 0.00 C ATOM 0 H LEU A 8 181.701 -3.411 0.610 1.00 0.00 H new ATOM 0 HA LEU A 8 181.643 -4.502 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.747 -4.146 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.303 -3.023 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 8 179.849 -5.927 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.432 -6.345 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.163 -5.891 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.208 -4.700 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.349 -5.470 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.163 -3.790 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.752 -4.375 -3.793 1.00 0.00 H new ATOM 143 N ASP A 9 181.041 -2.205 -3.295 1.00 0.00 N ATOM 144 CA ASP A 9 181.177 -0.938 -4.002 1.00 0.00 C ATOM 145 C ASP A 9 179.852 -0.178 -3.997 1.00 0.00 C ATOM 146 O ASP A 9 178.782 -0.784 -4.066 1.00 0.00 O ATOM 147 CB ASP A 9 181.638 -1.178 -5.441 1.00 0.00 C ATOM 148 CG ASP A 9 183.146 -1.292 -5.554 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.815 -0.243 -5.664 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.658 -2.431 -5.531 1.00 0.00 O ATOM 0 H ASP A 9 180.545 -2.929 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 9 181.927 -0.337 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.178 -2.091 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.290 -0.360 -6.072 1.00 0.00 H new ATOM 155 N PRO A 10 179.903 1.162 -3.909 1.00 0.00 N ATOM 156 CA PRO A 10 178.697 1.997 -3.890 1.00 0.00 C ATOM 157 C PRO A 10 177.736 1.664 -5.026 1.00 0.00 C ATOM 158 O PRO A 10 176.556 1.401 -4.796 1.00 0.00 O ATOM 159 CB PRO A 10 179.248 3.415 -4.055 1.00 0.00 C ATOM 160 CG PRO A 10 180.628 3.349 -3.502 1.00 0.00 C ATOM 161 CD PRO A 10 181.136 1.968 -3.818 1.00 0.00 C ATOM 0 HA PRO A 10 178.116 1.851 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.255 3.718 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 10 178.640 4.142 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.265 4.111 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 10 180.626 3.528 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 10 181.697 1.950 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.802 1.597 -3.039 1.00 0.00 H new ATOM 169 N ASP A 11 178.247 1.681 -6.253 1.00 0.00 N ATOM 170 CA ASP A 11 177.432 1.385 -7.428 1.00 0.00 C ATOM 171 C ASP A 11 176.718 0.043 -7.286 1.00 0.00 C ATOM 172 O ASP A 11 175.574 -0.110 -7.716 1.00 0.00 O ATOM 173 CB ASP A 11 178.302 1.380 -8.687 1.00 0.00 C ATOM 174 CG ASP A 11 177.551 1.865 -9.911 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.029 2.999 -9.878 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.484 1.109 -10.904 1.00 0.00 O ATOM 0 H ASP A 11 179.222 1.897 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 11 176.676 2.165 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.174 2.013 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.670 0.370 -8.867 1.00 0.00 H new ATOM 181 N THR A 12 177.399 -0.929 -6.687 1.00 0.00 N ATOM 182 CA THR A 12 176.825 -2.256 -6.499 1.00 0.00 C ATOM 183 C THR A 12 175.925 -2.304 -5.270 1.00 0.00 C ATOM 184 O THR A 12 174.911 -2.997 -5.267 1.00 0.00 O ATOM 185 CB THR A 12 177.933 -3.305 -6.370 1.00 0.00 C ATOM 186 OG1 THR A 12 178.688 -3.388 -7.565 1.00 0.00 O ATOM 187 CG2 THR A 12 177.411 -4.694 -6.059 1.00 0.00 C ATOM 0 H THR A 12 178.346 -0.823 -6.324 1.00 0.00 H new ATOM 0 HA THR A 12 176.218 -2.479 -7.377 1.00 0.00 H new ATOM 0 HB THR A 12 178.550 -2.971 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.392 -4.062 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.248 -5.388 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 12 176.866 -4.675 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 12 176.743 -5.019 -6.857 1.00 0.00 H new ATOM 195 N ALA A 13 176.297 -1.564 -4.230 1.00 0.00 N ATOM 196 CA ALA A 13 175.515 -1.530 -2.998 1.00 0.00 C ATOM 197 C ALA A 13 174.143 -0.911 -3.237 1.00 0.00 C ATOM 198 O ALA A 13 173.158 -1.287 -2.600 1.00 0.00 O ATOM 199 CB ALA A 13 176.264 -0.764 -1.919 1.00 0.00 C ATOM 0 H ALA A 13 177.134 -0.981 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 13 175.367 -2.556 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.669 -0.747 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.218 -1.253 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.443 0.257 -2.255 1.00 0.00 H new ATOM 205 N ILE A 14 174.089 0.043 -4.157 1.00 0.00 N ATOM 206 CA ILE A 14 172.841 0.716 -4.487 1.00 0.00 C ATOM 207 C ILE A 14 172.003 -0.125 -5.448 1.00 0.00 C ATOM 208 O ILE A 14 170.871 -0.494 -5.140 1.00 0.00 O ATOM 209 CB ILE A 14 173.098 2.108 -5.103 1.00 0.00 C ATOM 210 CG1 ILE A 14 173.905 2.971 -4.130 1.00 0.00 C ATOM 211 CG2 ILE A 14 171.784 2.790 -5.457 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.237 4.346 -4.669 1.00 0.00 C ATOM 0 H ILE A 14 174.897 0.368 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 14 172.289 0.845 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 14 173.673 1.982 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.343 3.080 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.832 2.454 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 14 171.987 3.770 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.241 2.180 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.182 2.909 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 14 174.809 4.900 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 14 174.826 4.247 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 14 173.314 4.883 -4.890 1.00 0.00 H new ATOM 224 N ASP A 15 172.566 -0.415 -6.618 1.00 0.00 N ATOM 225 CA ASP A 15 171.875 -1.203 -7.639 1.00 0.00 C ATOM 226 C ASP A 15 171.218 -2.456 -7.056 1.00 0.00 C ATOM 227 O ASP A 15 170.191 -2.918 -7.560 1.00 0.00 O ATOM 228 CB ASP A 15 172.853 -1.601 -8.746 1.00 0.00 C ATOM 229 CG ASP A 15 172.235 -1.502 -10.126 1.00 0.00 C ATOM 230 OD1 ASP A 15 171.380 -2.351 -10.457 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.605 -0.575 -10.878 1.00 0.00 O ATOM 0 H ASP A 15 173.504 -0.115 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 15 171.084 -0.576 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 15 173.733 -0.959 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.194 -2.622 -8.576 1.00 0.00 H new ATOM 236 N ILE A 16 171.796 -2.995 -5.985 1.00 0.00 N ATOM 237 CA ILE A 16 171.234 -4.184 -5.351 1.00 0.00 C ATOM 238 C ILE A 16 170.041 -3.814 -4.480 1.00 0.00 C ATOM 239 O ILE A 16 168.998 -4.463 -4.538 1.00 0.00 O ATOM 240 CB ILE A 16 172.273 -4.960 -4.511 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.044 -4.024 -3.578 1.00 0.00 C ATOM 242 CG2 ILE A 16 173.232 -5.710 -5.424 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.791 -4.291 -2.113 1.00 0.00 C ATOM 0 H ILE A 16 172.641 -2.633 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 16 170.910 -4.841 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 16 171.738 -5.680 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.111 -4.122 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 16 172.771 -2.993 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.959 -6.253 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 16 172.673 -6.415 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 16 173.752 -5.000 -6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.370 -3.591 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 16 171.730 -4.164 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.091 -5.311 -1.872 1.00 0.00 H new ATOM 255 N ALA A 17 170.188 -2.754 -3.691 1.00 0.00 N ATOM 256 CA ALA A 17 169.105 -2.294 -2.835 1.00 0.00 C ATOM 257 C ALA A 17 167.992 -1.689 -3.681 1.00 0.00 C ATOM 258 O ALA A 17 166.814 -1.775 -3.336 1.00 0.00 O ATOM 259 CB ALA A 17 169.615 -1.279 -1.824 1.00 0.00 C ATOM 0 H ALA A 17 171.043 -2.201 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 17 168.706 -3.149 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.790 -0.947 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.384 -1.739 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.037 -0.422 -2.350 1.00 0.00 H new ATOM 265 N TYR A 18 168.382 -1.088 -4.802 1.00 0.00 N ATOM 266 CA TYR A 18 167.431 -0.478 -5.718 1.00 0.00 C ATOM 267 C TYR A 18 166.469 -1.532 -6.253 1.00 0.00 C ATOM 268 O TYR A 18 165.258 -1.319 -6.296 1.00 0.00 O ATOM 269 CB TYR A 18 168.174 0.196 -6.874 1.00 0.00 C ATOM 270 CG TYR A 18 167.320 1.148 -7.681 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.527 0.688 -8.725 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.314 2.509 -7.404 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.752 1.557 -9.469 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.541 3.384 -8.142 1.00 0.00 C ATOM 275 CZ TYR A 18 165.762 2.903 -9.174 1.00 0.00 C ATOM 276 OH TYR A 18 164.993 3.772 -9.914 1.00 0.00 O ATOM 0 H TYR A 18 169.356 -1.012 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 18 166.858 0.278 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.029 0.741 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.568 -0.574 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.516 -0.366 -8.959 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.924 2.889 -6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.141 1.183 -10.278 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.546 4.439 -7.912 1.00 0.00 H new ATOM 0 HH TYR A 18 165.113 4.684 -9.576 1.00 0.00 H new ATOM 286 N ASP A 19 167.019 -2.678 -6.645 1.00 0.00 N ATOM 287 CA ASP A 19 166.207 -3.774 -7.161 1.00 0.00 C ATOM 288 C ASP A 19 165.374 -4.400 -6.043 1.00 0.00 C ATOM 289 O ASP A 19 164.313 -4.979 -6.289 1.00 0.00 O ATOM 290 CB ASP A 19 167.098 -4.836 -7.812 1.00 0.00 C ATOM 291 CG ASP A 19 166.801 -5.014 -9.288 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.706 -3.994 -10.002 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.662 -6.174 -9.730 1.00 0.00 O ATOM 0 H ASP A 19 168.020 -2.871 -6.615 1.00 0.00 H new ATOM 0 HA ASP A 19 165.529 -3.373 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.144 -4.556 -7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.959 -5.787 -7.299 1.00 0.00 H new ATOM 298 N ILE A 20 165.850 -4.260 -4.808 1.00 0.00 N ATOM 299 CA ILE A 20 165.143 -4.796 -3.652 1.00 0.00 C ATOM 300 C ILE A 20 163.936 -3.928 -3.315 1.00 0.00 C ATOM 301 O ILE A 20 162.940 -4.412 -2.778 1.00 0.00 O ATOM 302 CB ILE A 20 166.067 -4.894 -2.418 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.210 -5.874 -2.688 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.280 -5.328 -1.187 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.450 -5.596 -1.867 1.00 0.00 C ATOM 0 H ILE A 20 166.722 -3.780 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 20 164.808 -5.800 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 20 166.488 -3.907 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.866 -6.887 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.468 -5.836 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.950 -5.390 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.495 -4.600 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.831 -6.304 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.219 -6.329 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.819 -4.595 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.207 -5.663 -0.807 1.00 0.00 H new ATOM 317 N PHE A 21 164.028 -2.644 -3.642 1.00 0.00 N ATOM 318 CA PHE A 21 162.942 -1.709 -3.384 1.00 0.00 C ATOM 319 C PHE A 21 161.868 -1.826 -4.461 1.00 0.00 C ATOM 320 O PHE A 21 160.674 -1.801 -4.168 1.00 0.00 O ATOM 321 CB PHE A 21 163.486 -0.280 -3.336 1.00 0.00 C ATOM 322 CG PHE A 21 162.434 0.768 -3.106 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.509 0.632 -2.083 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.375 1.893 -3.913 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.544 1.599 -1.871 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.412 2.862 -3.705 1.00 0.00 C ATOM 327 CZ PHE A 21 160.496 2.715 -2.682 1.00 0.00 C ATOM 0 H PHE A 21 164.846 -2.227 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 21 162.493 -1.952 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.231 -0.212 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.999 -0.066 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.542 -0.239 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.090 2.014 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.828 1.481 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.376 3.733 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.743 3.472 -2.517 1.00 0.00 H new ATOM 337 N LEU A 22 162.304 -1.952 -5.709 1.00 0.00 N ATOM 338 CA LEU A 22 161.383 -2.069 -6.834 1.00 0.00 C ATOM 339 C LEU A 22 160.836 -3.491 -6.970 1.00 0.00 C ATOM 340 O LEU A 22 159.991 -3.753 -7.826 1.00 0.00 O ATOM 341 CB LEU A 22 162.079 -1.656 -8.132 1.00 0.00 C ATOM 342 CG LEU A 22 162.177 -0.150 -8.366 1.00 0.00 C ATOM 343 CD1 LEU A 22 160.810 0.415 -8.695 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.767 0.547 -7.150 1.00 0.00 C ATOM 0 H LEU A 22 163.290 -1.976 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 22 160.543 -1.401 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.086 -2.074 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.545 -2.104 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 22 162.842 0.028 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 22 160.890 1.489 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 22 160.426 -0.063 -9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 22 160.129 0.225 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.828 1.619 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 22 162.131 0.367 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.766 0.156 -6.955 1.00 0.00 H new ATOM 356 N GLU A 23 161.314 -4.408 -6.131 1.00 0.00 N ATOM 357 CA GLU A 23 160.855 -5.791 -6.183 1.00 0.00 C ATOM 358 C GLU A 23 160.149 -6.200 -4.888 1.00 0.00 C ATOM 359 O GLU A 23 159.098 -6.840 -4.923 1.00 0.00 O ATOM 360 CB GLU A 23 162.037 -6.725 -6.466 1.00 0.00 C ATOM 361 CG GLU A 23 162.855 -7.084 -5.234 1.00 0.00 C ATOM 362 CD GLU A 23 164.129 -7.831 -5.577 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.053 -9.052 -5.828 1.00 0.00 O ATOM 364 OE2 GLU A 23 165.204 -7.195 -5.595 1.00 0.00 O ATOM 0 H GLU A 23 162.013 -4.219 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 23 160.130 -5.875 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.661 -7.642 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.692 -6.253 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 23 163.107 -6.173 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 23 162.249 -7.695 -4.565 1.00 0.00 H new ATOM 371 N MET A 24 160.741 -5.847 -3.750 1.00 0.00 N ATOM 372 CA MET A 24 160.175 -6.201 -2.451 1.00 0.00 C ATOM 373 C MET A 24 159.139 -5.181 -1.976 1.00 0.00 C ATOM 374 O MET A 24 158.068 -5.556 -1.498 1.00 0.00 O ATOM 375 CB MET A 24 161.288 -6.335 -1.411 1.00 0.00 C ATOM 376 CG MET A 24 161.206 -7.615 -0.598 1.00 0.00 C ATOM 377 SD MET A 24 162.037 -7.480 0.996 1.00 0.00 S ATOM 378 CE MET A 24 160.779 -6.650 1.963 1.00 0.00 C ATOM 0 H MET A 24 161.611 -5.317 -3.701 1.00 0.00 H new ATOM 0 HA MET A 24 159.665 -7.157 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.253 -6.296 -1.916 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.247 -5.481 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 24 160.159 -7.872 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 24 161.651 -8.431 -1.167 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.187 -6.383 2.938 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.458 -5.747 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 24 159.925 -7.314 2.096 1.00 0.00 H new ATOM 388 N ALA A 25 159.460 -3.895 -2.095 1.00 0.00 N ATOM 389 CA ALA A 25 158.546 -2.840 -1.661 1.00 0.00 C ATOM 390 C ALA A 25 157.156 -3.021 -2.265 1.00 0.00 C ATOM 391 O ALA A 25 157.002 -3.073 -3.485 1.00 0.00 O ATOM 392 CB ALA A 25 159.103 -1.473 -2.027 1.00 0.00 C ATOM 0 H ALA A 25 160.340 -3.559 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 25 158.452 -2.908 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.411 -0.698 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.067 -1.330 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.231 -1.410 -3.108 1.00 0.00 H new ATOM 398 N GLY A 26 156.146 -3.115 -1.404 1.00 0.00 N ATOM 399 CA GLY A 26 154.786 -3.287 -1.879 1.00 0.00 C ATOM 400 C GLY A 26 153.852 -3.835 -0.815 1.00 0.00 C ATOM 401 O GLY A 26 152.942 -3.140 -0.363 1.00 0.00 O ATOM 0 H GLY A 26 156.246 -3.075 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.405 -2.328 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.788 -3.962 -2.735 1.00 0.00 H new ATOM 405 N GLU A 27 154.070 -5.086 -0.424 1.00 0.00 N ATOM 406 CA GLU A 27 153.232 -5.730 0.585 1.00 0.00 C ATOM 407 C GLU A 27 153.691 -5.390 2.004 1.00 0.00 C ATOM 408 O GLU A 27 153.017 -5.730 2.976 1.00 0.00 O ATOM 409 CB GLU A 27 153.241 -7.246 0.388 1.00 0.00 C ATOM 410 CG GLU A 27 154.635 -7.853 0.399 1.00 0.00 C ATOM 411 CD GLU A 27 155.031 -8.433 -0.945 1.00 0.00 C ATOM 412 OE1 GLU A 27 154.671 -9.597 -1.219 1.00 0.00 O ATOM 413 OE2 GLU A 27 155.701 -7.723 -1.724 1.00 0.00 O ATOM 0 H GLU A 27 154.819 -5.675 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 27 152.218 -5.351 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.646 -7.710 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 152.758 -7.484 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 27 155.357 -7.089 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 27 154.680 -8.636 1.156 1.00 0.00 H new ATOM 420 N ASN A 28 154.836 -4.723 2.121 1.00 0.00 N ATOM 421 CA ASN A 28 155.367 -4.350 3.428 1.00 0.00 C ATOM 422 C ASN A 28 155.061 -2.890 3.749 1.00 0.00 C ATOM 423 O ASN A 28 154.217 -2.593 4.595 1.00 0.00 O ATOM 424 CB ASN A 28 156.877 -4.587 3.472 1.00 0.00 C ATOM 425 CG ASN A 28 157.233 -6.058 3.393 1.00 0.00 C ATOM 426 OD1 ASN A 28 157.491 -6.702 4.410 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.249 -6.600 2.180 1.00 0.00 N ATOM 0 H ASN A 28 155.411 -4.431 1.331 1.00 0.00 H new ATOM 0 HA ASN A 28 154.883 -4.975 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.350 -4.057 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.281 -4.167 4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.482 -7.586 2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.029 -6.030 1.364 1.00 0.00 H new ATOM 434 N LEU A 29 155.757 -1.986 3.070 1.00 0.00 N ATOM 435 CA LEU A 29 155.571 -0.554 3.278 1.00 0.00 C ATOM 436 C LEU A 29 154.159 -0.124 2.880 1.00 0.00 C ATOM 437 O LEU A 29 153.685 -0.424 1.785 1.00 0.00 O ATOM 438 CB LEU A 29 156.630 0.217 2.490 1.00 0.00 C ATOM 439 CG LEU A 29 156.470 1.736 2.443 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.802 2.404 2.133 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.429 2.119 1.407 1.00 0.00 C ATOM 0 H LEU A 29 156.458 -2.220 2.368 1.00 0.00 H new ATOM 0 HA LEU A 29 155.690 -0.328 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.607 -0.011 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.635 -0.158 1.467 1.00 0.00 H new ATOM 0 HG LEU A 29 156.134 2.082 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.669 3.485 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.526 2.149 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.167 2.057 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.323 3.204 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.743 1.762 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.472 1.667 1.668 1.00 0.00 H new ATOM 453 N ASP A 30 153.491 0.560 3.804 1.00 0.00 N ATOM 454 CA ASP A 30 152.112 1.030 3.611 1.00 0.00 C ATOM 455 C ASP A 30 151.863 1.563 2.196 1.00 0.00 C ATOM 456 O ASP A 30 152.779 2.024 1.527 1.00 0.00 O ATOM 457 CB ASP A 30 151.782 2.117 4.637 1.00 0.00 C ATOM 458 CG ASP A 30 150.455 1.874 5.329 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.177 0.710 5.689 1.00 0.00 O ATOM 460 OD2 ASP A 30 149.693 2.847 5.511 1.00 0.00 O ATOM 0 H ASP A 30 153.886 0.807 4.711 1.00 0.00 H new ATOM 0 HA ASP A 30 151.459 0.169 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 30 152.575 2.161 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.757 3.087 4.140 1.00 0.00 H new ATOM 465 N PRO A 31 150.604 1.504 1.725 1.00 0.00 N ATOM 466 CA PRO A 31 150.234 1.981 0.385 1.00 0.00 C ATOM 467 C PRO A 31 150.425 3.488 0.223 1.00 0.00 C ATOM 468 O PRO A 31 150.750 3.968 -0.862 1.00 0.00 O ATOM 469 CB PRO A 31 148.746 1.621 0.263 1.00 0.00 C ATOM 470 CG PRO A 31 148.490 0.627 1.345 1.00 0.00 C ATOM 471 CD PRO A 31 149.445 0.967 2.451 1.00 0.00 C ATOM 0 HA PRO A 31 150.861 1.529 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.117 2.503 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.522 1.201 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.457 0.682 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.653 -0.390 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.023 1.700 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.709 0.090 3.042 1.00 0.00 H new ATOM 479 N ALA A 32 150.214 4.232 1.305 1.00 0.00 N ATOM 480 CA ALA A 32 150.359 5.685 1.273 1.00 0.00 C ATOM 481 C ALA A 32 151.741 6.093 0.772 1.00 0.00 C ATOM 482 O ALA A 32 151.869 6.839 -0.205 1.00 0.00 O ATOM 483 CB ALA A 32 150.105 6.269 2.655 1.00 0.00 C ATOM 0 H ALA A 32 149.943 3.854 2.213 1.00 0.00 H new ATOM 0 HA ALA A 32 149.620 6.082 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.216 7.353 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.094 6.019 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.823 5.855 3.363 1.00 0.00 H new ATOM 489 N ASP A 33 152.776 5.589 1.436 1.00 0.00 N ATOM 490 CA ASP A 33 154.146 5.893 1.048 1.00 0.00 C ATOM 491 C ASP A 33 154.429 5.374 -0.359 1.00 0.00 C ATOM 492 O ASP A 33 155.321 5.872 -1.046 1.00 0.00 O ATOM 493 CB ASP A 33 155.131 5.289 2.052 1.00 0.00 C ATOM 494 CG ASP A 33 155.586 6.291 3.096 1.00 0.00 C ATOM 495 OD1 ASP A 33 155.048 7.418 3.113 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.476 5.946 3.901 1.00 0.00 O ATOM 0 H ASP A 33 152.691 4.970 2.243 1.00 0.00 H new ATOM 0 HA ASP A 33 154.275 6.975 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.663 4.439 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.000 4.906 1.517 1.00 0.00 H new ATOM 501 N ILE A 34 153.649 4.383 -0.793 1.00 0.00 N ATOM 502 CA ILE A 34 153.807 3.820 -2.127 1.00 0.00 C ATOM 503 C ILE A 34 153.293 4.805 -3.168 1.00 0.00 C ATOM 504 O ILE A 34 153.961 5.080 -4.164 1.00 0.00 O ATOM 505 CB ILE A 34 153.054 2.478 -2.280 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.669 1.417 -1.368 1.00 0.00 C ATOM 507 CG2 ILE A 34 153.075 2.010 -3.728 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.877 0.129 -1.322 1.00 0.00 C ATOM 0 H ILE A 34 152.905 3.958 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 34 154.870 3.631 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 34 152.016 2.632 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.682 1.200 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.751 1.820 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.540 1.064 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.594 2.757 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.107 1.873 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.371 -0.578 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.872 0.333 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.817 -0.297 -2.323 1.00 0.00 H new ATOM 520 N LEU A 35 152.102 5.343 -2.921 1.00 0.00 N ATOM 521 CA LEU A 35 151.495 6.310 -3.828 1.00 0.00 C ATOM 522 C LEU A 35 152.475 7.437 -4.134 1.00 0.00 C ATOM 523 O LEU A 35 152.646 7.827 -5.289 1.00 0.00 O ATOM 524 CB LEU A 35 150.212 6.880 -3.219 1.00 0.00 C ATOM 525 CG LEU A 35 149.560 8.011 -4.021 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.141 7.636 -4.421 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.565 9.306 -3.221 1.00 0.00 C ATOM 0 H LEU A 35 151.538 5.125 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 35 151.244 5.801 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.490 6.071 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.435 7.247 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 35 150.142 8.166 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.695 8.452 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.162 6.735 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.547 7.451 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.098 10.098 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.008 9.164 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.592 9.586 -2.988 1.00 0.00 H new ATOM 539 N LEU A 36 153.127 7.947 -3.093 1.00 0.00 N ATOM 540 CA LEU A 36 154.102 9.019 -3.262 1.00 0.00 C ATOM 541 C LEU A 36 155.274 8.539 -4.114 1.00 0.00 C ATOM 542 O LEU A 36 155.577 9.116 -5.158 1.00 0.00 O ATOM 543 CB LEU A 36 154.606 9.503 -1.900 1.00 0.00 C ATOM 544 CG LEU A 36 153.870 10.717 -1.331 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.114 10.836 0.166 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.307 11.987 -2.046 1.00 0.00 C ATOM 0 H LEU A 36 152.999 7.637 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 36 153.615 9.851 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.526 8.682 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.665 9.747 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 36 152.801 10.580 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.583 11.705 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.753 9.937 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 36 155.182 10.951 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 36 153.774 12.841 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.380 12.129 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 36 154.081 11.902 -3.109 1.00 0.00 H new ATOM 558 N PHE A 37 155.922 7.472 -3.657 1.00 0.00 N ATOM 559 CA PHE A 37 157.059 6.895 -4.368 1.00 0.00 C ATOM 560 C PHE A 37 156.676 6.539 -5.806 1.00 0.00 C ATOM 561 O PHE A 37 157.490 6.654 -6.722 1.00 0.00 O ATOM 562 CB PHE A 37 157.567 5.652 -3.617 1.00 0.00 C ATOM 563 CG PHE A 37 158.245 4.627 -4.489 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.202 5.006 -5.416 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.921 3.284 -4.377 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.822 4.064 -6.216 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.538 2.339 -5.174 1.00 0.00 C ATOM 568 CZ PHE A 37 159.489 2.730 -6.095 1.00 0.00 C ATOM 0 H PHE A 37 155.678 6.987 -2.793 1.00 0.00 H new ATOM 0 HA PHE A 37 157.859 7.634 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.265 5.971 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.725 5.180 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.467 6.048 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.177 2.973 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.567 4.372 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.277 1.296 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.972 1.993 -6.720 1.00 0.00 H new ATOM 578 N ASN A 38 155.433 6.108 -5.995 1.00 0.00 N ATOM 579 CA ASN A 38 154.947 5.735 -7.319 1.00 0.00 C ATOM 580 C ASN A 38 154.687 6.973 -8.170 1.00 0.00 C ATOM 581 O ASN A 38 155.054 7.021 -9.344 1.00 0.00 O ATOM 582 CB ASN A 38 153.670 4.902 -7.201 1.00 0.00 C ATOM 583 CG ASN A 38 153.946 3.412 -7.247 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.942 2.936 -6.702 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.063 2.665 -7.901 1.00 0.00 N ATOM 0 H ASN A 38 154.744 6.008 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 38 155.716 5.137 -7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.165 5.147 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.990 5.168 -8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 153.197 1.656 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 38 152.251 3.101 -8.338 1.00 0.00 H new ATOM 592 N LEU A 39 154.053 7.972 -7.569 1.00 0.00 N ATOM 593 CA LEU A 39 153.743 9.211 -8.262 1.00 0.00 C ATOM 594 C LEU A 39 154.984 10.102 -8.383 1.00 0.00 C ATOM 595 O LEU A 39 155.003 11.050 -9.169 1.00 0.00 O ATOM 596 CB LEU A 39 152.608 9.922 -7.531 1.00 0.00 C ATOM 597 CG LEU A 39 153.044 10.946 -6.496 1.00 0.00 C ATOM 598 CD1 LEU A 39 153.177 12.299 -7.160 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.057 10.986 -5.343 1.00 0.00 C ATOM 0 H LEU A 39 153.743 7.945 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 39 153.419 8.985 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 39 151.979 10.420 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 151.989 9.172 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 39 154.013 10.664 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 39 153.490 13.037 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 39 153.921 12.243 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.216 12.593 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 39 152.383 11.724 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.070 11.258 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 39 152.008 10.004 -4.872 1.00 0.00 H new ATOM 611 N GLN A 40 156.025 9.781 -7.614 1.00 0.00 N ATOM 612 CA GLN A 40 157.269 10.540 -7.650 1.00 0.00 C ATOM 613 C GLN A 40 158.434 9.629 -8.052 1.00 0.00 C ATOM 614 O GLN A 40 158.261 8.721 -8.865 1.00 0.00 O ATOM 615 CB GLN A 40 157.534 11.187 -6.286 1.00 0.00 C ATOM 616 CG GLN A 40 156.342 11.939 -5.724 1.00 0.00 C ATOM 617 CD GLN A 40 156.553 13.442 -5.702 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.259 14.134 -6.677 1.00 0.00 O ATOM 619 NE2 GLN A 40 157.067 13.958 -4.589 1.00 0.00 N ATOM 0 H GLN A 40 156.028 8.999 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 40 157.178 11.331 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.830 10.413 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 40 158.375 11.874 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.459 11.709 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.142 11.590 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 40 157.297 13.349 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 40 157.231 14.962 -4.521 1.00 0.00 H new ATOM 628 N PHE A 41 159.618 9.876 -7.483 1.00 0.00 N ATOM 629 CA PHE A 41 160.813 9.082 -7.777 1.00 0.00 C ATOM 630 C PHE A 41 161.507 9.559 -9.055 1.00 0.00 C ATOM 631 O PHE A 41 162.683 9.269 -9.273 1.00 0.00 O ATOM 632 CB PHE A 41 160.471 7.594 -7.894 1.00 0.00 C ATOM 633 CG PHE A 41 161.518 6.694 -7.301 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.815 6.752 -5.948 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.206 5.792 -8.096 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.778 5.927 -5.399 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.170 4.964 -7.553 1.00 0.00 C ATOM 638 CZ PHE A 41 163.456 5.031 -6.203 1.00 0.00 C ATOM 0 H PHE A 41 159.774 10.627 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 41 161.501 9.220 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.518 7.407 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.338 7.341 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.287 7.450 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.987 5.735 -9.152 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.000 5.982 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.699 4.265 -8.183 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.208 4.384 -5.777 1.00 0.00 H new ATOM 648 N GLU A 42 160.779 10.288 -9.898 1.00 0.00 N ATOM 649 CA GLU A 42 161.338 10.795 -11.145 1.00 0.00 C ATOM 650 C GLU A 42 162.073 12.111 -10.914 1.00 0.00 C ATOM 651 O GLU A 42 163.134 12.351 -11.492 1.00 0.00 O ATOM 652 CB GLU A 42 160.229 10.990 -12.182 1.00 0.00 C ATOM 653 CG GLU A 42 160.721 11.567 -13.500 1.00 0.00 C ATOM 654 CD GLU A 42 161.483 10.554 -14.331 1.00 0.00 C ATOM 655 OE1 GLU A 42 160.890 9.515 -14.693 1.00 0.00 O ATOM 656 OE2 GLU A 42 162.673 10.798 -14.620 1.00 0.00 O ATOM 0 H GLU A 42 159.803 10.539 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 42 162.052 10.062 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.748 10.030 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 159.468 11.651 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 42 159.869 11.934 -14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 161.364 12.424 -13.300 1.00 0.00 H new ATOM 663 N GLU A 43 161.503 12.962 -10.068 1.00 0.00 N ATOM 664 CA GLU A 43 162.103 14.255 -9.763 1.00 0.00 C ATOM 665 C GLU A 43 162.665 14.279 -8.344 1.00 0.00 C ATOM 666 O GLU A 43 163.635 14.983 -8.065 1.00 0.00 O ATOM 667 CB GLU A 43 161.073 15.372 -9.936 1.00 0.00 C ATOM 668 CG GLU A 43 160.746 15.677 -11.389 1.00 0.00 C ATOM 669 CD GLU A 43 160.867 17.153 -11.718 1.00 0.00 C ATOM 670 OE1 GLU A 43 162.004 17.620 -11.940 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.825 17.840 -11.753 1.00 0.00 O ATOM 0 H GLU A 43 160.626 12.779 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 43 162.926 14.417 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.156 15.093 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.447 16.278 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.415 15.109 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 43 159.732 15.342 -11.607 1.00 0.00 H new ATOM 678 N ARG A 44 162.052 13.508 -7.450 1.00 0.00 N ATOM 679 CA ARG A 44 162.498 13.448 -6.063 1.00 0.00 C ATOM 680 C ARG A 44 163.002 12.053 -5.711 1.00 0.00 C ATOM 681 O ARG A 44 162.948 11.638 -4.553 1.00 0.00 O ATOM 682 CB ARG A 44 161.359 13.845 -5.122 1.00 0.00 C ATOM 683 CG ARG A 44 160.669 15.141 -5.513 1.00 0.00 C ATOM 684 CD ARG A 44 161.609 16.332 -5.405 1.00 0.00 C ATOM 685 NE ARG A 44 161.867 16.943 -6.707 1.00 0.00 N ATOM 686 CZ ARG A 44 162.342 18.176 -6.866 1.00 0.00 C ATOM 687 NH1 ARG A 44 162.611 18.933 -5.809 1.00 0.00 N ATOM 688 NH2 ARG A 44 162.548 18.655 -8.085 1.00 0.00 N ATOM 0 H ARG A 44 161.247 12.918 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 44 163.322 14.151 -5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.621 13.043 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.753 13.944 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.297 15.062 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 44 159.803 15.301 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 44 161.178 17.075 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 44 162.552 16.011 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 44 161.672 16.392 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 44 162.454 18.570 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 44 162.975 19.877 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 44 162.342 18.079 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 44 162.912 19.600 -8.207 1.00 0.00 H new ATOM 702 N GLY A 45 163.493 11.332 -6.714 1.00 0.00 N ATOM 703 CA GLY A 45 163.999 9.992 -6.485 1.00 0.00 C ATOM 704 C GLY A 45 165.480 9.981 -6.163 1.00 0.00 C ATOM 705 O GLY A 45 166.307 10.334 -7.003 1.00 0.00 O ATOM 0 H GLY A 45 163.549 11.652 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.448 9.534 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.818 9.382 -7.370 1.00 0.00 H new ATOM 709 N GLY A 46 165.816 9.578 -4.942 1.00 0.00 N ATOM 710 CA GLY A 46 167.207 9.534 -4.535 1.00 0.00 C ATOM 711 C GLY A 46 167.497 8.412 -3.558 1.00 0.00 C ATOM 712 O GLY A 46 166.652 8.061 -2.734 1.00 0.00 O ATOM 0 H GLY A 46 165.150 9.282 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.835 9.413 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.478 10.486 -4.079 1.00 0.00 H new ATOM 716 N VAL A 47 168.698 7.852 -3.650 1.00 0.00 N ATOM 717 CA VAL A 47 169.112 6.765 -2.772 1.00 0.00 C ATOM 718 C VAL A 47 170.609 6.857 -2.490 1.00 0.00 C ATOM 719 O VAL A 47 171.428 6.784 -3.405 1.00 0.00 O ATOM 720 CB VAL A 47 168.780 5.393 -3.395 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.235 4.251 -2.495 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.287 5.292 -3.673 1.00 0.00 C ATOM 0 H VAL A 47 169.405 8.135 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 47 168.563 6.860 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 47 169.322 5.308 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.986 3.298 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.313 4.312 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.731 4.325 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.064 4.320 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.735 5.404 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 47 166.992 6.080 -4.366 1.00 0.00 H new ATOM 732 N GLU A 48 170.959 7.032 -1.219 1.00 0.00 N ATOM 733 CA GLU A 48 172.358 7.152 -0.824 1.00 0.00 C ATOM 734 C GLU A 48 172.855 5.886 -0.133 1.00 0.00 C ATOM 735 O GLU A 48 172.073 5.126 0.438 1.00 0.00 O ATOM 736 CB GLU A 48 172.545 8.357 0.100 1.00 0.00 C ATOM 737 CG GLU A 48 171.608 8.358 1.296 1.00 0.00 C ATOM 738 CD GLU A 48 171.996 9.387 2.340 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.992 9.158 3.058 1.00 0.00 O ATOM 740 OE2 GLU A 48 171.304 10.422 2.439 1.00 0.00 O ATOM 0 H GLU A 48 170.295 7.094 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 48 172.947 7.296 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.575 8.375 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.390 9.271 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.591 8.556 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.605 7.368 1.751 1.00 0.00 H new ATOM 747 N PHE A 49 174.166 5.673 -0.190 1.00 0.00 N ATOM 748 CA PHE A 49 174.783 4.505 0.429 1.00 0.00 C ATOM 749 C PHE A 49 175.439 4.870 1.757 1.00 0.00 C ATOM 750 O PHE A 49 176.158 5.865 1.856 1.00 0.00 O ATOM 751 CB PHE A 49 175.821 3.891 -0.511 1.00 0.00 C ATOM 752 CG PHE A 49 176.511 2.689 0.068 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.810 1.516 0.295 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.857 2.735 0.392 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.438 0.411 0.834 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.491 1.633 0.930 1.00 0.00 C ATOM 757 CZ PHE A 49 177.781 0.469 1.151 1.00 0.00 C ATOM 0 H PHE A 49 174.823 6.296 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 49 173.998 3.774 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.333 3.607 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.568 4.645 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.760 1.465 0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.417 3.643 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.880 -0.497 1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.541 1.681 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.275 -0.394 1.571 1.00 0.00 H new ATOM 767 N VAL A 50 175.192 4.051 2.773 1.00 0.00 N ATOM 768 CA VAL A 50 175.761 4.273 4.099 1.00 0.00 C ATOM 769 C VAL A 50 176.136 2.957 4.749 1.00 0.00 C ATOM 770 O VAL A 50 175.415 1.968 4.628 1.00 0.00 O ATOM 771 CB VAL A 50 174.787 5.000 5.043 1.00 0.00 C ATOM 772 CG1 VAL A 50 175.107 6.480 5.100 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.344 4.758 4.624 1.00 0.00 C ATOM 0 H VAL A 50 174.599 3.224 2.704 1.00 0.00 H new ATOM 0 HA VAL A 50 176.642 4.896 3.946 1.00 0.00 H new ATOM 0 HB VAL A 50 174.910 4.593 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 50 174.408 6.978 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 176.124 6.618 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 175.019 6.910 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.674 5.282 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.192 5.129 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.130 3.690 4.655 1.00 0.00 H new ATOM 783 N GLU A 51 177.262 2.939 5.441 1.00 0.00 N ATOM 784 CA GLU A 51 177.713 1.727 6.105 1.00 0.00 C ATOM 785 C GLU A 51 176.728 1.307 7.188 1.00 0.00 C ATOM 786 O GLU A 51 175.652 1.888 7.327 1.00 0.00 O ATOM 787 CB GLU A 51 179.102 1.942 6.713 1.00 0.00 C ATOM 788 CG GLU A 51 180.095 0.846 6.363 1.00 0.00 C ATOM 789 CD GLU A 51 181.534 1.317 6.448 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.844 2.122 7.351 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.352 0.880 5.611 1.00 0.00 O ATOM 0 H GLU A 51 177.878 3.744 5.558 1.00 0.00 H new ATOM 0 HA GLU A 51 177.770 0.931 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.495 2.900 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.009 2.004 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.952 0.002 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.893 0.486 5.354 1.00 0.00 H new ATOM 798 N THR A 52 177.108 0.294 7.953 1.00 0.00 N ATOM 799 CA THR A 52 176.268 -0.214 9.027 1.00 0.00 C ATOM 800 C THR A 52 176.460 0.619 10.296 1.00 0.00 C ATOM 801 O THR A 52 177.368 1.446 10.373 1.00 0.00 O ATOM 802 CB THR A 52 176.597 -1.693 9.268 1.00 0.00 C ATOM 803 OG1 THR A 52 176.100 -2.482 8.203 1.00 0.00 O ATOM 804 CG2 THR A 52 176.034 -2.264 10.554 1.00 0.00 C ATOM 0 H THR A 52 177.997 -0.194 7.849 1.00 0.00 H new ATOM 0 HA THR A 52 175.219 -0.133 8.743 1.00 0.00 H new ATOM 0 HB THR A 52 177.684 -1.728 9.339 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.578 -2.257 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.316 -3.313 10.640 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.433 -1.710 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.947 -2.180 10.544 1.00 0.00 H new ATOM 812 N ALA A 53 175.602 0.395 11.287 1.00 0.00 N ATOM 813 CA ALA A 53 175.680 1.123 12.547 1.00 0.00 C ATOM 814 C ALA A 53 176.430 0.312 13.600 1.00 0.00 C ATOM 815 O ALA A 53 177.166 -0.617 13.273 1.00 0.00 O ATOM 816 CB ALA A 53 174.281 1.457 13.041 1.00 0.00 C ATOM 0 H ALA A 53 174.844 -0.286 11.241 1.00 0.00 H new ATOM 0 HA ALA A 53 176.230 2.048 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.348 2.001 13.983 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.772 2.074 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.719 0.535 13.193 1.00 0.00 H new ATOM 822 N ASP A 54 176.225 0.663 14.867 1.00 0.00 N ATOM 823 CA ASP A 54 176.869 -0.041 15.967 1.00 0.00 C ATOM 824 C ASP A 54 175.959 -1.142 16.503 1.00 0.00 C ATOM 825 O ASP A 54 175.996 -1.465 17.691 1.00 0.00 O ATOM 826 CB ASP A 54 177.223 0.937 17.090 1.00 0.00 C ATOM 827 CG ASP A 54 175.998 1.614 17.675 1.00 0.00 C ATOM 828 OD1 ASP A 54 175.343 1.005 18.546 1.00 0.00 O ATOM 829 OD2 ASP A 54 175.695 2.752 17.261 1.00 0.00 O ATOM 0 H ASP A 54 175.618 1.431 15.155 1.00 0.00 H new ATOM 0 HA ASP A 54 177.786 -0.496 15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.752 0.403 17.880 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.905 1.695 16.706 1.00 0.00 H new ATOM 834 N ASP A 55 175.140 -1.712 15.614 1.00 0.00 N ATOM 835 CA ASP A 55 174.209 -2.783 15.977 1.00 0.00 C ATOM 836 C ASP A 55 172.904 -2.210 16.513 1.00 0.00 C ATOM 837 O ASP A 55 172.861 -1.666 17.617 1.00 0.00 O ATOM 838 CB ASP A 55 174.829 -3.732 17.010 1.00 0.00 C ATOM 839 CG ASP A 55 174.505 -5.186 16.728 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.358 -5.472 16.325 1.00 0.00 O ATOM 841 OD2 ASP A 55 175.400 -6.039 16.909 1.00 0.00 O ATOM 0 H ASP A 55 175.104 -1.446 14.630 1.00 0.00 H new ATOM 0 HA ASP A 55 173.996 -3.352 15.072 1.00 0.00 H new ATOM 0 HB2 ASP A 55 175.911 -3.599 17.018 1.00 0.00 H new ATOM 0 HB3 ASP A 55 174.468 -3.468 18.004 1.00 0.00 H new ATOM 846 N TRP A 56 171.839 -2.332 15.724 1.00 0.00 N ATOM 847 CA TRP A 56 170.537 -1.819 16.130 1.00 0.00 C ATOM 848 C TRP A 56 169.442 -2.872 15.983 1.00 0.00 C ATOM 849 O TRP A 56 168.560 -2.758 15.131 1.00 0.00 O ATOM 850 CB TRP A 56 170.171 -0.564 15.338 1.00 0.00 C ATOM 851 CG TRP A 56 170.625 -0.568 13.911 1.00 0.00 C ATOM 852 CD1 TRP A 56 171.907 -0.490 13.454 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.788 -0.631 12.755 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.917 -0.493 12.079 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.626 -0.581 11.628 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.409 -0.725 12.568 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.126 -0.618 10.329 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.912 -0.767 11.282 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.766 -0.712 10.176 1.00 0.00 C ATOM 0 H TRP A 56 171.853 -2.778 14.807 1.00 0.00 H new ATOM 0 HA TRP A 56 170.612 -1.558 17.186 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.088 -0.440 15.360 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.601 0.303 15.839 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.785 -0.434 14.080 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.749 -0.439 11.491 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.741 -0.764 13.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.784 -0.574 9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.846 -0.844 11.127 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.346 -0.744 9.181 1.00 0.00 H new ATOM 870 N GLU A 57 169.504 -3.886 16.836 1.00 0.00 N ATOM 871 CA GLU A 57 168.519 -4.964 16.836 1.00 0.00 C ATOM 872 C GLU A 57 167.255 -4.529 17.582 1.00 0.00 C ATOM 873 O GLU A 57 166.809 -5.202 18.512 1.00 0.00 O ATOM 874 CB GLU A 57 169.113 -6.210 17.501 1.00 0.00 C ATOM 875 CG GLU A 57 170.546 -6.502 17.085 1.00 0.00 C ATOM 876 CD GLU A 57 171.110 -7.735 17.763 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.335 -8.682 18.013 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.327 -7.754 18.044 1.00 0.00 O ATOM 0 H GLU A 57 170.232 -3.986 17.543 1.00 0.00 H new ATOM 0 HA GLU A 57 168.254 -5.198 15.805 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.077 -6.085 18.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 168.491 -7.072 17.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.587 -6.636 16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.172 -5.642 17.324 1.00 0.00 H new ATOM 885 N GLU A 58 166.688 -3.393 17.176 1.00 0.00 N ATOM 886 CA GLU A 58 165.484 -2.867 17.815 1.00 0.00 C ATOM 887 C GLU A 58 164.339 -2.732 16.815 1.00 0.00 C ATOM 888 O GLU A 58 163.228 -3.197 17.066 1.00 0.00 O ATOM 889 CB GLU A 58 165.778 -1.510 18.460 1.00 0.00 C ATOM 890 CG GLU A 58 165.211 -1.368 19.864 1.00 0.00 C ATOM 891 CD GLU A 58 166.288 -1.361 20.931 1.00 0.00 C ATOM 892 OE1 GLU A 58 166.910 -2.421 21.154 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.510 -0.295 21.543 1.00 0.00 O ATOM 0 H GLU A 58 167.043 -2.821 16.409 1.00 0.00 H new ATOM 0 HA GLU A 58 165.178 -3.574 18.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 166.857 -1.360 18.496 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.368 -0.721 17.830 1.00 0.00 H new ATOM 0 HG2 GLU A 58 164.636 -0.444 19.928 1.00 0.00 H new ATOM 0 HG3 GLU A 58 164.519 -2.188 20.057 1.00 0.00 H new ATOM 900 N GLU A 59 164.618 -2.105 15.675 1.00 0.00 N ATOM 901 CA GLU A 59 163.602 -1.932 14.642 1.00 0.00 C ATOM 902 C GLU A 59 163.513 -3.189 13.785 1.00 0.00 C ATOM 903 O GLU A 59 162.438 -3.769 13.632 1.00 0.00 O ATOM 904 CB GLU A 59 163.894 -0.704 13.775 1.00 0.00 C ATOM 905 CG GLU A 59 165.255 -0.727 13.103 1.00 0.00 C ATOM 906 CD GLU A 59 165.787 0.665 12.828 1.00 0.00 C ATOM 907 OE1 GLU A 59 166.446 1.236 13.723 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.545 1.185 11.719 1.00 0.00 O ATOM 0 H GLU A 59 165.531 -1.712 15.445 1.00 0.00 H new ATOM 0 HA GLU A 59 162.641 -1.768 15.130 1.00 0.00 H new ATOM 0 HB2 GLU A 59 163.124 -0.623 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 163.822 0.190 14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.961 -1.264 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.185 -1.278 12.165 1.00 0.00 H new ATOM 915 N ILE A 60 164.651 -3.626 13.252 1.00 0.00 N ATOM 916 CA ILE A 60 164.687 -4.837 12.443 1.00 0.00 C ATOM 917 C ILE A 60 164.743 -6.066 13.347 1.00 0.00 C ATOM 918 O ILE A 60 164.156 -7.104 13.041 1.00 0.00 O ATOM 919 CB ILE A 60 165.890 -4.859 11.474 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.166 -4.396 12.179 1.00 0.00 C ATOM 921 CG2 ILE A 60 165.611 -3.988 10.257 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.376 -4.397 11.277 1.00 0.00 C ATOM 0 H ILE A 60 165.553 -3.163 13.365 1.00 0.00 H new ATOM 0 HA ILE A 60 163.776 -4.851 11.844 1.00 0.00 H new ATOM 0 HB ILE A 60 166.038 -5.886 11.140 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.013 -3.390 12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.357 -5.045 13.034 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.469 -4.015 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 60 164.730 -4.363 9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.434 -2.961 10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.248 -4.059 11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.552 -5.407 10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.203 -3.726 10.435 1.00 0.00 H new ATOM 934 N GLY A 61 165.439 -5.929 14.477 1.00 0.00 N ATOM 935 CA GLY A 61 165.547 -7.022 15.431 1.00 0.00 C ATOM 936 C GLY A 61 166.713 -7.954 15.156 1.00 0.00 C ATOM 937 O GLY A 61 167.370 -8.427 16.082 1.00 0.00 O ATOM 0 H GLY A 61 165.931 -5.077 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.651 -6.609 16.434 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.621 -7.598 15.418 1.00 0.00 H new ATOM 941 N VAL A 62 166.953 -8.241 13.885 1.00 0.00 N ATOM 942 CA VAL A 62 168.028 -9.146 13.491 1.00 0.00 C ATOM 943 C VAL A 62 169.384 -8.660 13.991 1.00 0.00 C ATOM 944 O VAL A 62 169.581 -7.467 14.217 1.00 0.00 O ATOM 945 CB VAL A 62 168.077 -9.320 11.958 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.736 -8.126 11.288 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.793 -10.611 11.590 1.00 0.00 C ATOM 0 H VAL A 62 166.417 -7.860 13.105 1.00 0.00 H new ATOM 0 HA VAL A 62 167.813 -10.110 13.952 1.00 0.00 H new ATOM 0 HB VAL A 62 167.051 -9.379 11.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.755 -8.279 10.209 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.170 -7.223 11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 62 169.756 -8.019 11.657 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.818 -10.717 10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 62 169.812 -10.584 11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.263 -11.458 12.025 1.00 0.00 H new ATOM 957 N LEU A 63 170.319 -9.592 14.157 1.00 0.00 N ATOM 958 CA LEU A 63 171.659 -9.256 14.624 1.00 0.00 C ATOM 959 C LEU A 63 172.425 -8.500 13.546 1.00 0.00 C ATOM 960 O LEU A 63 172.622 -9.004 12.440 1.00 0.00 O ATOM 961 CB LEU A 63 172.419 -10.524 15.017 1.00 0.00 C ATOM 962 CG LEU A 63 171.885 -11.237 16.264 1.00 0.00 C ATOM 963 CD1 LEU A 63 171.462 -12.660 15.931 1.00 0.00 C ATOM 964 CD2 LEU A 63 172.930 -11.236 17.370 1.00 0.00 C ATOM 0 H LEU A 63 170.172 -10.585 13.975 1.00 0.00 H new ATOM 0 HA LEU A 63 171.567 -8.615 15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.392 -11.220 14.179 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.465 -10.266 15.184 1.00 0.00 H new ATOM 0 HG LEU A 63 171.009 -10.694 16.618 1.00 0.00 H new ATOM 0 HD11 LEU A 63 171.086 -13.148 16.830 1.00 0.00 H new ATOM 0 HD12 LEU A 63 170.677 -12.639 15.175 1.00 0.00 H new ATOM 0 HD13 LEU A 63 172.319 -13.214 15.549 1.00 0.00 H new ATOM 0 HD21 LEU A 63 172.532 -11.747 18.247 1.00 0.00 H new ATOM 0 HD22 LEU A 63 173.826 -11.752 17.025 1.00 0.00 H new ATOM 0 HD23 LEU A 63 173.182 -10.208 17.632 1.00 0.00 H new ATOM 976 N ILE A 64 172.843 -7.282 13.871 1.00 0.00 N ATOM 977 CA ILE A 64 173.574 -6.447 12.924 1.00 0.00 C ATOM 978 C ILE A 64 175.077 -6.513 13.170 1.00 0.00 C ATOM 979 O ILE A 64 175.526 -6.889 14.252 1.00 0.00 O ATOM 980 CB ILE A 64 173.115 -4.975 12.999 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.636 -4.890 13.382 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.359 -4.268 11.675 1.00 0.00 C ATOM 983 CD1 ILE A 64 170.737 -5.715 12.491 1.00 0.00 C ATOM 0 H ILE A 64 172.689 -6.851 14.782 1.00 0.00 H new ATOM 0 HA ILE A 64 173.357 -6.838 11.930 1.00 0.00 H new ATOM 0 HB ILE A 64 173.702 -4.476 13.770 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.516 -5.221 14.413 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.317 -3.848 13.343 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.029 -3.232 11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.423 -4.293 11.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 172.801 -4.771 10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 64 169.703 -5.609 12.819 1.00 0.00 H new ATOM 0 HD12 ILE A 64 170.829 -5.369 11.461 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.030 -6.763 12.549 1.00 0.00 H new ATOM 995 N ASP A 65 175.848 -6.140 12.155 1.00 0.00 N ATOM 996 CA ASP A 65 177.303 -6.148 12.249 1.00 0.00 C ATOM 997 C ASP A 65 177.897 -5.017 11.411 1.00 0.00 C ATOM 998 O ASP A 65 177.725 -4.986 10.193 1.00 0.00 O ATOM 999 CB ASP A 65 177.858 -7.495 11.781 1.00 0.00 C ATOM 1000 CG ASP A 65 178.222 -8.405 12.939 1.00 0.00 C ATOM 1001 OD1 ASP A 65 177.310 -9.053 13.494 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.419 -8.469 13.289 1.00 0.00 O ATOM 0 H ASP A 65 175.488 -5.827 11.254 1.00 0.00 H new ATOM 0 HA ASP A 65 177.583 -5.995 13.291 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.119 -7.991 11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.740 -7.326 11.164 1.00 0.00 H new ATOM 1007 N PRO A 66 178.604 -4.066 12.049 1.00 0.00 N ATOM 1008 CA PRO A 66 179.213 -2.936 11.342 1.00 0.00 C ATOM 1009 C PRO A 66 180.260 -3.384 10.329 1.00 0.00 C ATOM 1010 O PRO A 66 180.882 -4.434 10.488 1.00 0.00 O ATOM 1011 CB PRO A 66 179.859 -2.108 12.455 1.00 0.00 C ATOM 1012 CG PRO A 66 180.013 -3.050 13.599 1.00 0.00 C ATOM 1013 CD PRO A 66 178.865 -4.012 13.498 1.00 0.00 C ATOM 0 HA PRO A 66 178.476 -2.379 10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.823 -1.709 12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.235 -1.257 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.967 -3.574 13.548 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.993 -2.517 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.124 -4.992 13.898 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.994 -3.661 14.052 1.00 0.00 H new ATOM 1021 N GLU A 67 180.448 -2.578 9.288 1.00 0.00 N ATOM 1022 CA GLU A 67 181.419 -2.884 8.239 1.00 0.00 C ATOM 1023 C GLU A 67 180.973 -4.093 7.420 1.00 0.00 C ATOM 1024 O GLU A 67 180.689 -3.977 6.228 1.00 0.00 O ATOM 1025 CB GLU A 67 182.803 -3.139 8.845 1.00 0.00 C ATOM 1026 CG GLU A 67 183.801 -2.026 8.570 1.00 0.00 C ATOM 1027 CD GLU A 67 184.763 -1.808 9.721 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.591 -2.707 9.981 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.689 -0.739 10.362 1.00 0.00 O ATOM 0 H GLU A 67 179.940 -1.705 9.147 1.00 0.00 H new ATOM 0 HA GLU A 67 181.480 -2.022 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.701 -3.266 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.197 -4.075 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.366 -2.264 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.261 -1.100 8.372 1.00 0.00 H new ATOM 1036 N GLU A 68 180.919 -5.253 8.068 1.00 0.00 N ATOM 1037 CA GLU A 68 180.513 -6.490 7.408 1.00 0.00 C ATOM 1038 C GLU A 68 179.181 -6.329 6.679 1.00 0.00 C ATOM 1039 O GLU A 68 178.894 -7.061 5.734 1.00 0.00 O ATOM 1040 CB GLU A 68 180.410 -7.620 8.432 1.00 0.00 C ATOM 1041 CG GLU A 68 181.699 -8.407 8.588 1.00 0.00 C ATOM 1042 CD GLU A 68 182.056 -8.662 10.039 1.00 0.00 C ATOM 1043 OE1 GLU A 68 181.851 -7.752 10.870 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.540 -9.772 10.345 1.00 0.00 O ATOM 0 H GLU A 68 181.153 -5.362 9.055 1.00 0.00 H new ATOM 0 HA GLU A 68 181.274 -6.736 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.129 -7.201 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.611 -8.299 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.603 -9.360 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.513 -7.863 8.108 1.00 0.00 H new ATOM 1051 N TYR A 69 178.368 -5.377 7.130 1.00 0.00 N ATOM 1052 CA TYR A 69 177.064 -5.132 6.520 1.00 0.00 C ATOM 1053 C TYR A 69 177.050 -3.791 5.787 1.00 0.00 C ATOM 1054 O TYR A 69 177.737 -2.850 6.183 1.00 0.00 O ATOM 1055 CB TYR A 69 175.960 -5.149 7.584 1.00 0.00 C ATOM 1056 CG TYR A 69 175.585 -6.534 8.073 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.554 -7.492 8.347 1.00 0.00 C ATOM 1058 CD2 TYR A 69 174.254 -6.878 8.267 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.206 -8.751 8.797 1.00 0.00 C ATOM 1060 CE2 TYR A 69 173.898 -8.134 8.717 1.00 0.00 C ATOM 1061 CZ TYR A 69 174.878 -9.067 8.980 1.00 0.00 C ATOM 1062 OH TYR A 69 174.527 -10.320 9.428 1.00 0.00 O ATOM 0 H TYR A 69 178.589 -4.764 7.914 1.00 0.00 H new ATOM 0 HA TYR A 69 176.877 -5.928 5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.284 -4.551 8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.071 -4.668 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.597 -7.248 8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 69 173.483 -6.150 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 176.972 -9.484 9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 69 172.857 -8.384 8.862 1.00 0.00 H new ATOM 0 HH TYR A 69 173.552 -10.379 9.504 1.00 0.00 H new ATOM 1072 N ALA A 70 176.255 -3.710 4.724 1.00 0.00 N ATOM 1073 CA ALA A 70 176.138 -2.483 3.941 1.00 0.00 C ATOM 1074 C ALA A 70 174.706 -1.964 3.980 1.00 0.00 C ATOM 1075 O ALA A 70 173.772 -2.687 3.635 1.00 0.00 O ATOM 1076 CB ALA A 70 176.579 -2.725 2.505 1.00 0.00 C ATOM 0 H ALA A 70 175.681 -4.481 4.384 1.00 0.00 H new ATOM 0 HA ALA A 70 176.791 -1.728 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.486 -1.801 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.618 -3.055 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.950 -3.493 2.056 1.00 0.00 H new ATOM 1082 N GLU A 71 174.532 -0.718 4.412 1.00 0.00 N ATOM 1083 CA GLU A 71 173.202 -0.131 4.505 1.00 0.00 C ATOM 1084 C GLU A 71 172.930 0.818 3.340 1.00 0.00 C ATOM 1085 O GLU A 71 173.820 1.529 2.874 1.00 0.00 O ATOM 1086 CB GLU A 71 173.050 0.601 5.851 1.00 0.00 C ATOM 1087 CG GLU A 71 171.923 1.630 5.902 1.00 0.00 C ATOM 1088 CD GLU A 71 171.978 2.483 7.154 1.00 0.00 C ATOM 1089 OE1 GLU A 71 172.884 3.337 7.252 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.115 2.297 8.038 1.00 0.00 O ATOM 0 H GLU A 71 175.291 -0.100 4.701 1.00 0.00 H new ATOM 0 HA GLU A 71 172.466 -0.933 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 71 172.881 -0.139 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 71 173.990 1.102 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.982 2.273 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 71 170.963 1.116 5.857 1.00 0.00 H new ATOM 1097 N VAL A 72 171.683 0.826 2.888 1.00 0.00 N ATOM 1098 CA VAL A 72 171.261 1.687 1.793 1.00 0.00 C ATOM 1099 C VAL A 72 169.964 2.391 2.168 1.00 0.00 C ATOM 1100 O VAL A 72 169.086 1.796 2.791 1.00 0.00 O ATOM 1101 CB VAL A 72 171.076 0.888 0.480 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.951 1.461 -0.374 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.377 0.866 -0.304 1.00 0.00 C ATOM 0 H VAL A 72 170.940 0.239 3.268 1.00 0.00 H new ATOM 0 HA VAL A 72 172.042 2.427 1.620 1.00 0.00 H new ATOM 0 HB VAL A 72 170.799 -0.132 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.852 0.874 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.016 1.425 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.180 2.495 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.237 0.302 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.674 1.887 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.155 0.394 0.296 1.00 0.00 H new ATOM 1113 N TRP A 73 169.850 3.660 1.801 1.00 0.00 N ATOM 1114 CA TRP A 73 168.657 4.432 2.120 1.00 0.00 C ATOM 1115 C TRP A 73 167.906 4.831 0.857 1.00 0.00 C ATOM 1116 O TRP A 73 168.499 5.326 -0.102 1.00 0.00 O ATOM 1117 CB TRP A 73 169.032 5.674 2.930 1.00 0.00 C ATOM 1118 CG TRP A 73 169.205 5.387 4.391 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.482 4.177 4.958 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.111 6.323 5.470 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.561 4.301 6.321 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.339 5.608 6.660 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.856 7.696 5.549 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.319 6.214 7.910 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.838 8.299 6.793 1.00 0.00 C ATOM 1126 CH2 TRP A 73 169.068 7.558 7.959 1.00 0.00 C ATOM 0 H TRP A 73 170.564 4.174 1.285 1.00 0.00 H new ATOM 0 HA TRP A 73 167.998 3.804 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.957 6.093 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.259 6.432 2.803 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.619 3.255 4.412 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.754 3.543 6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.676 8.274 4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.495 5.645 8.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.643 9.359 6.867 1.00 0.00 H new ATOM 0 HH2 TRP A 73 169.047 8.058 8.916 1.00 0.00 H new ATOM 1137 N VAL A 74 166.595 4.615 0.870 1.00 0.00 N ATOM 1138 CA VAL A 74 165.749 4.948 -0.266 1.00 0.00 C ATOM 1139 C VAL A 74 164.611 5.866 0.163 1.00 0.00 C ATOM 1140 O VAL A 74 163.598 5.410 0.691 1.00 0.00 O ATOM 1141 CB VAL A 74 165.162 3.680 -0.913 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.309 4.037 -2.122 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.276 2.718 -1.297 1.00 0.00 C ATOM 0 H VAL A 74 166.095 4.208 1.660 1.00 0.00 H new ATOM 0 HA VAL A 74 166.372 5.461 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 74 164.519 3.185 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.904 3.126 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.489 4.684 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.922 4.556 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.846 1.826 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.946 3.202 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.836 2.435 -0.406 1.00 0.00 H new ATOM 1153 N GLY A 75 164.799 7.162 -0.048 1.00 0.00 N ATOM 1154 CA GLY A 75 163.788 8.129 0.345 1.00 0.00 C ATOM 1155 C GLY A 75 163.356 9.046 -0.781 1.00 0.00 C ATOM 1156 O GLY A 75 163.086 8.595 -1.894 1.00 0.00 O ATOM 0 H GLY A 75 165.630 7.562 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.916 7.597 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.174 8.733 1.166 1.00 0.00 H new ATOM 1160 N LEU A 76 163.294 10.339 -0.481 1.00 0.00 N ATOM 1161 CA LEU A 76 162.892 11.343 -1.467 1.00 0.00 C ATOM 1162 C LEU A 76 163.743 12.601 -1.313 1.00 0.00 C ATOM 1163 O LEU A 76 163.341 13.561 -0.655 1.00 0.00 O ATOM 1164 CB LEU A 76 161.396 11.690 -1.325 1.00 0.00 C ATOM 1165 CG LEU A 76 160.558 11.505 -2.592 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.733 10.103 -3.155 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.091 11.784 -2.297 1.00 0.00 C ATOM 0 H LEU A 76 163.517 10.720 0.439 1.00 0.00 H new ATOM 0 HA LEU A 76 163.050 10.926 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.970 11.072 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.310 12.727 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 76 160.905 12.216 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.128 9.994 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.782 9.938 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.414 9.371 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.505 11.649 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.736 11.094 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.980 12.809 -1.942 1.00 0.00 H new ATOM 1179 N VAL A 77 164.929 12.579 -1.914 1.00 0.00 N ATOM 1180 CA VAL A 77 165.852 13.706 -1.837 1.00 0.00 C ATOM 1181 C VAL A 77 165.289 14.952 -2.510 1.00 0.00 C ATOM 1182 O VAL A 77 164.187 14.934 -3.059 1.00 0.00 O ATOM 1183 CB VAL A 77 167.209 13.361 -2.481 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.870 12.205 -1.747 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.033 13.034 -3.957 1.00 0.00 C ATOM 0 H VAL A 77 165.274 11.790 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 77 165.993 13.914 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 77 167.860 14.232 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.827 11.976 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 77 168.033 12.481 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.224 11.328 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.002 12.793 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.364 12.180 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.606 13.895 -4.472 1.00 0.00 H new ATOM 1195 N ASN A 78 166.062 16.033 -2.460 1.00 0.00 N ATOM 1196 CA ASN A 78 165.660 17.298 -3.061 1.00 0.00 C ATOM 1197 C ASN A 78 166.602 17.672 -4.203 1.00 0.00 C ATOM 1198 O ASN A 78 167.445 16.873 -4.610 1.00 0.00 O ATOM 1199 CB ASN A 78 165.650 18.404 -2.002 1.00 0.00 C ATOM 1200 CG ASN A 78 164.450 18.310 -1.081 1.00 0.00 C ATOM 1201 OD1 ASN A 78 163.311 18.200 -1.535 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.700 18.355 0.223 1.00 0.00 N ATOM 0 H ASN A 78 166.975 16.056 -2.006 1.00 0.00 H new ATOM 0 HA ASN A 78 164.654 17.186 -3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 78 166.564 18.346 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 78 165.651 19.376 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.932 18.298 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.660 18.447 0.555 1.00 0.00 H new ATOM 1209 N GLU A 79 166.457 18.890 -4.716 1.00 0.00 N ATOM 1210 CA GLU A 79 167.298 19.363 -5.810 1.00 0.00 C ATOM 1211 C GLU A 79 168.755 19.499 -5.370 1.00 0.00 C ATOM 1212 O GLU A 79 169.657 19.588 -6.202 1.00 0.00 O ATOM 1213 CB GLU A 79 166.784 20.706 -6.330 1.00 0.00 C ATOM 1214 CG GLU A 79 165.331 20.670 -6.775 1.00 0.00 C ATOM 1215 CD GLU A 79 164.518 21.819 -6.210 1.00 0.00 C ATOM 1216 OE1 GLU A 79 164.292 21.838 -4.982 1.00 0.00 O ATOM 1217 OE2 GLU A 79 164.109 22.699 -6.995 1.00 0.00 O ATOM 0 H GLU A 79 165.766 19.567 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 79 167.251 18.625 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 79 166.897 21.457 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 79 167.404 21.023 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 79 165.288 20.700 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 79 164.883 19.726 -6.464 1.00 0.00 H new ATOM 1224 N GLN A 80 168.979 19.521 -4.058 1.00 0.00 N ATOM 1225 CA GLN A 80 170.327 19.651 -3.515 1.00 0.00 C ATOM 1226 C GLN A 80 170.908 18.289 -3.141 1.00 0.00 C ATOM 1227 O GLN A 80 171.772 18.193 -2.269 1.00 0.00 O ATOM 1228 CB GLN A 80 170.314 20.569 -2.292 1.00 0.00 C ATOM 1229 CG GLN A 80 169.196 20.259 -1.309 1.00 0.00 C ATOM 1230 CD GLN A 80 169.299 21.075 -0.035 1.00 0.00 C ATOM 1231 OE1 GLN A 80 169.896 20.638 0.949 1.00 0.00 O ATOM 1232 NE2 GLN A 80 168.715 22.268 -0.048 1.00 0.00 N ATOM 0 H GLN A 80 168.245 19.451 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 80 170.961 20.088 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.271 20.488 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.217 21.602 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.235 20.454 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.220 19.198 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.231 22.590 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 80 168.751 22.862 0.780 1.00 0.00 H new ATOM 1241 N ASP A 81 170.433 17.241 -3.814 1.00 0.00 N ATOM 1242 CA ASP A 81 170.904 15.876 -3.569 1.00 0.00 C ATOM 1243 C ASP A 81 171.121 15.606 -2.079 1.00 0.00 C ATOM 1244 O ASP A 81 172.208 15.203 -1.662 1.00 0.00 O ATOM 1245 CB ASP A 81 172.202 15.622 -4.339 1.00 0.00 C ATOM 1246 CG ASP A 81 171.952 15.063 -5.726 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.153 14.111 -5.847 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.556 15.577 -6.691 1.00 0.00 O ATOM 0 H ASP A 81 169.718 17.311 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 81 170.130 15.194 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.761 16.554 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.824 14.926 -3.777 1.00 0.00 H new ATOM 1253 N GLU A 82 170.082 15.827 -1.282 1.00 0.00 N ATOM 1254 CA GLU A 82 170.164 15.603 0.157 1.00 0.00 C ATOM 1255 C GLU A 82 168.851 15.049 0.695 1.00 0.00 C ATOM 1256 O GLU A 82 167.869 15.779 0.833 1.00 0.00 O ATOM 1257 CB GLU A 82 170.508 16.904 0.879 1.00 0.00 C ATOM 1258 CG GLU A 82 171.953 17.340 0.697 1.00 0.00 C ATOM 1259 CD GLU A 82 172.638 17.657 2.012 1.00 0.00 C ATOM 1260 OE1 GLU A 82 172.926 16.710 2.774 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.887 18.851 2.279 1.00 0.00 O ATOM 0 H GLU A 82 169.174 16.160 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 82 170.952 14.873 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.851 17.695 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 82 170.305 16.783 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 82 172.505 16.551 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.985 18.220 0.054 1.00 0.00 H new ATOM 1268 N MET A 83 168.835 13.754 0.992 1.00 0.00 N ATOM 1269 CA MET A 83 167.637 13.103 1.508 1.00 0.00 C ATOM 1270 C MET A 83 167.323 13.562 2.927 1.00 0.00 C ATOM 1271 O MET A 83 168.104 13.339 3.852 1.00 0.00 O ATOM 1272 CB MET A 83 167.815 11.584 1.482 1.00 0.00 C ATOM 1273 CG MET A 83 166.513 10.814 1.639 1.00 0.00 C ATOM 1274 SD MET A 83 166.769 9.031 1.724 1.00 0.00 S ATOM 1275 CE MET A 83 167.701 8.752 0.221 1.00 0.00 C ATOM 0 H MET A 83 169.638 13.135 0.884 1.00 0.00 H new ATOM 0 HA MET A 83 166.800 13.383 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.285 11.298 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.498 11.293 2.280 1.00 0.00 H new ATOM 0 HG2 MET A 83 166.004 11.148 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 83 165.856 11.044 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.753 7.682 0.018 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.209 9.255 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.709 9.148 0.339 1.00 0.00 H new ATOM 1285 N ASP A 84 166.166 14.194 3.091 1.00 0.00 N ATOM 1286 CA ASP A 84 165.735 14.675 4.400 1.00 0.00 C ATOM 1287 C ASP A 84 164.519 13.890 4.889 1.00 0.00 C ATOM 1288 O ASP A 84 163.784 14.348 5.764 1.00 0.00 O ATOM 1289 CB ASP A 84 165.403 16.171 4.347 1.00 0.00 C ATOM 1290 CG ASP A 84 166.347 16.948 3.449 1.00 0.00 C ATOM 1291 OD1 ASP A 84 166.071 17.038 2.235 1.00 0.00 O ATOM 1292 OD2 ASP A 84 167.361 17.466 3.962 1.00 0.00 O ATOM 0 H ASP A 84 165.509 14.386 2.334 1.00 0.00 H new ATOM 0 HA ASP A 84 166.557 14.523 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 84 164.381 16.300 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.444 16.584 5.355 1.00 0.00 H new ATOM 1297 N ASP A 85 164.314 12.707 4.315 1.00 0.00 N ATOM 1298 CA ASP A 85 163.194 11.853 4.681 1.00 0.00 C ATOM 1299 C ASP A 85 163.294 10.523 3.940 1.00 0.00 C ATOM 1300 O ASP A 85 163.029 10.448 2.739 1.00 0.00 O ATOM 1301 CB ASP A 85 161.866 12.540 4.354 1.00 0.00 C ATOM 1302 CG ASP A 85 161.250 13.209 5.567 1.00 0.00 C ATOM 1303 OD1 ASP A 85 160.891 12.490 6.523 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.128 14.452 5.561 1.00 0.00 O ATOM 0 H ASP A 85 164.916 12.318 3.589 1.00 0.00 H new ATOM 0 HA ASP A 85 163.231 11.668 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.027 13.284 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.168 11.805 3.954 1.00 0.00 H new ATOM 1309 N VAL A 86 163.697 9.482 4.658 1.00 0.00 N ATOM 1310 CA VAL A 86 163.852 8.159 4.063 1.00 0.00 C ATOM 1311 C VAL A 86 162.560 7.354 4.145 1.00 0.00 C ATOM 1312 O VAL A 86 161.837 7.411 5.140 1.00 0.00 O ATOM 1313 CB VAL A 86 164.992 7.365 4.745 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.873 7.451 6.258 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.000 5.913 4.284 1.00 0.00 C ATOM 0 H VAL A 86 163.922 9.527 5.652 1.00 0.00 H new ATOM 0 HA VAL A 86 164.104 8.315 3.014 1.00 0.00 H new ATOM 0 HB VAL A 86 165.940 7.814 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.683 6.887 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.934 8.494 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.916 7.034 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.811 5.379 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.049 5.445 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.146 5.875 3.204 1.00 0.00 H new ATOM 1325 N PHE A 87 162.291 6.590 3.093 1.00 0.00 N ATOM 1326 CA PHE A 87 161.104 5.749 3.033 1.00 0.00 C ATOM 1327 C PHE A 87 161.418 4.377 3.611 1.00 0.00 C ATOM 1328 O PHE A 87 160.567 3.735 4.227 1.00 0.00 O ATOM 1329 CB PHE A 87 160.629 5.596 1.586 1.00 0.00 C ATOM 1330 CG PHE A 87 159.718 6.694 1.126 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.512 6.919 1.765 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.063 7.493 0.049 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.666 7.923 1.341 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.222 8.500 -0.381 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.021 8.717 0.265 1.00 0.00 C ATOM 0 H PHE A 87 162.884 6.536 2.265 1.00 0.00 H new ATOM 0 HA PHE A 87 160.313 6.221 3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.499 5.561 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.113 4.642 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.230 6.302 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.001 7.327 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.727 8.089 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.503 9.117 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.361 9.504 -0.069 1.00 0.00 H new ATOM 1345 N ALA A 88 162.655 3.940 3.402 1.00 0.00 N ATOM 1346 CA ALA A 88 163.108 2.649 3.891 1.00 0.00 C ATOM 1347 C ALA A 88 164.625 2.543 3.808 1.00 0.00 C ATOM 1348 O ALA A 88 165.274 3.340 3.130 1.00 0.00 O ATOM 1349 CB ALA A 88 162.456 1.530 3.094 1.00 0.00 C ATOM 0 H ALA A 88 163.364 4.468 2.893 1.00 0.00 H new ATOM 0 HA ALA A 88 162.816 2.554 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.802 0.567 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.373 1.592 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.725 1.628 2.042 1.00 0.00 H new ATOM 1355 N LYS A 89 165.185 1.548 4.484 1.00 0.00 N ATOM 1356 CA LYS A 89 166.625 1.325 4.471 1.00 0.00 C ATOM 1357 C LYS A 89 166.898 -0.148 4.202 1.00 0.00 C ATOM 1358 O LYS A 89 166.125 -1.006 4.619 1.00 0.00 O ATOM 1359 CB LYS A 89 167.261 1.745 5.802 1.00 0.00 C ATOM 1360 CG LYS A 89 166.445 2.760 6.589 1.00 0.00 C ATOM 1361 CD LYS A 89 166.952 2.894 8.016 1.00 0.00 C ATOM 1362 CE LYS A 89 165.893 3.489 8.930 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.224 3.295 10.370 1.00 0.00 N ATOM 0 H LYS A 89 164.662 0.880 5.050 1.00 0.00 H new ATOM 0 HA LYS A 89 167.069 1.934 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.408 0.858 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.248 2.163 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.491 3.729 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.398 2.457 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.249 1.915 8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.841 3.524 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.792 4.554 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 89 164.929 3.029 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 166.011 4.167 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 165.657 2.512 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 167.235 3.071 10.467 1.00 0.00 H new ATOM 1377 N PHE A 90 167.984 -0.446 3.501 1.00 0.00 N ATOM 1378 CA PHE A 90 168.314 -1.831 3.185 1.00 0.00 C ATOM 1379 C PHE A 90 169.729 -2.180 3.623 1.00 0.00 C ATOM 1380 O PHE A 90 170.681 -1.469 3.306 1.00 0.00 O ATOM 1381 CB PHE A 90 168.157 -2.080 1.684 1.00 0.00 C ATOM 1382 CG PHE A 90 166.817 -1.668 1.144 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.447 -0.332 1.116 1.00 0.00 C ATOM 1384 CD2 PHE A 90 165.927 -2.616 0.666 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.215 0.049 0.622 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.694 -2.240 0.170 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.337 -0.907 0.148 1.00 0.00 C ATOM 0 H PHE A 90 168.645 0.243 3.143 1.00 0.00 H new ATOM 0 HA PHE A 90 167.623 -2.472 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 90 168.937 -1.537 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.311 -3.140 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.130 0.419 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.200 -3.661 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.938 1.093 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.010 -2.989 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.373 -0.612 -0.239 1.00 0.00 H new ATOM 1397 N LEU A 91 169.862 -3.291 4.338 1.00 0.00 N ATOM 1398 CA LEU A 91 171.162 -3.752 4.806 1.00 0.00 C ATOM 1399 C LEU A 91 171.557 -5.024 4.065 1.00 0.00 C ATOM 1400 O LEU A 91 170.735 -5.920 3.884 1.00 0.00 O ATOM 1401 CB LEU A 91 171.125 -4.009 6.313 1.00 0.00 C ATOM 1402 CG LEU A 91 170.281 -3.024 7.124 1.00 0.00 C ATOM 1403 CD1 LEU A 91 169.986 -3.595 8.501 1.00 0.00 C ATOM 1404 CD2 LEU A 91 170.990 -1.684 7.240 1.00 0.00 C ATOM 0 H LEU A 91 169.082 -3.891 4.607 1.00 0.00 H new ATOM 0 HA LEU A 91 171.903 -2.979 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.743 -5.016 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.146 -3.986 6.694 1.00 0.00 H new ATOM 0 HG LEU A 91 169.336 -2.865 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.385 -2.885 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.439 -4.532 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.923 -3.779 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.375 -0.996 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 171.949 -1.822 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.155 -1.272 6.244 1.00 0.00 H new ATOM 1416 N ILE A 92 172.809 -5.098 3.627 1.00 0.00 N ATOM 1417 CA ILE A 92 173.283 -6.269 2.895 1.00 0.00 C ATOM 1418 C ILE A 92 174.691 -6.668 3.326 1.00 0.00 C ATOM 1419 O ILE A 92 175.624 -5.868 3.258 1.00 0.00 O ATOM 1420 CB ILE A 92 173.278 -6.031 1.365 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.381 -4.533 1.046 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.033 -6.645 0.736 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.044 -3.849 0.879 1.00 0.00 C ATOM 0 H ILE A 92 173.509 -4.369 3.764 1.00 0.00 H new ATOM 0 HA ILE A 92 172.591 -7.077 3.133 1.00 0.00 H new ATOM 0 HB ILE A 92 174.151 -6.521 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.934 -4.039 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.960 -4.405 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.044 -6.469 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.020 -7.718 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.143 -6.188 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.201 -2.794 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.496 -4.316 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.469 -3.943 1.800 1.00 0.00 H new ATOM 1435 N SER A 93 174.834 -7.915 3.764 1.00 0.00 N ATOM 1436 CA SER A 93 176.130 -8.430 4.199 1.00 0.00 C ATOM 1437 C SER A 93 177.182 -8.244 3.105 1.00 0.00 C ATOM 1438 O SER A 93 176.848 -8.129 1.926 1.00 0.00 O ATOM 1439 CB SER A 93 176.015 -9.910 4.572 1.00 0.00 C ATOM 1440 OG SER A 93 176.494 -10.145 5.885 1.00 0.00 O ATOM 0 H SER A 93 174.070 -8.588 3.828 1.00 0.00 H new ATOM 0 HA SER A 93 176.443 -7.867 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.975 -10.227 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.582 -10.512 3.862 1.00 0.00 H new ATOM 0 HG SER A 93 176.164 -9.443 6.484 1.00 0.00 H new ATOM 1446 N HIS A 94 178.450 -8.213 3.504 1.00 0.00 N ATOM 1447 CA HIS A 94 179.546 -8.039 2.555 1.00 0.00 C ATOM 1448 C HIS A 94 180.235 -9.369 2.262 1.00 0.00 C ATOM 1449 O HIS A 94 181.396 -9.398 1.852 1.00 0.00 O ATOM 1450 CB HIS A 94 180.571 -7.040 3.098 1.00 0.00 C ATOM 1451 CG HIS A 94 180.086 -5.623 3.129 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.708 -4.608 2.441 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.046 -5.048 3.781 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.078 -3.470 2.668 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.065 -3.708 3.478 1.00 0.00 N ATOM 0 H HIS A 94 178.744 -8.306 4.476 1.00 0.00 H new ATOM 0 HA HIS A 94 179.123 -7.653 1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.854 -7.338 4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.472 -7.091 2.486 1.00 0.00 H new ATOM 0 HD1 HIS A 94 181.530 -4.717 1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.335 -5.550 4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.347 -2.507 2.259 1.00 0.00 H new ATOM 1464 N ARG A 95 179.518 -10.468 2.477 1.00 0.00 N ATOM 1465 CA ARG A 95 180.069 -11.798 2.238 1.00 0.00 C ATOM 1466 C ARG A 95 179.861 -12.226 0.791 1.00 0.00 C ATOM 1467 O ARG A 95 178.875 -11.855 0.155 1.00 0.00 O ATOM 1468 CB ARG A 95 179.423 -12.815 3.180 1.00 0.00 C ATOM 1469 CG ARG A 95 180.067 -12.864 4.556 1.00 0.00 C ATOM 1470 CD ARG A 95 179.668 -11.665 5.400 1.00 0.00 C ATOM 1471 NE ARG A 95 180.241 -11.725 6.743 1.00 0.00 N ATOM 1472 CZ ARG A 95 179.799 -12.536 7.701 1.00 0.00 C ATOM 1473 NH1 ARG A 95 178.781 -13.356 7.470 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.376 -12.527 8.895 1.00 0.00 N ATOM 0 H ARG A 95 178.556 -10.464 2.816 1.00 0.00 H new ATOM 0 HA ARG A 95 181.141 -11.758 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 95 178.366 -12.574 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.479 -13.805 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 95 179.773 -13.782 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.152 -12.892 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.995 -10.750 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 95 178.581 -11.618 5.471 1.00 0.00 H new ATOM 0 HE ARG A 95 181.025 -11.110 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 95 178.333 -13.367 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 95 178.447 -13.975 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 95 181.158 -11.899 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 95 180.038 -13.148 9.630 1.00 0.00 H new ATOM 1488 N GLU A 96 180.800 -13.013 0.278 1.00 0.00 N ATOM 1489 CA GLU A 96 180.728 -13.500 -1.094 1.00 0.00 C ATOM 1490 C GLU A 96 179.592 -14.504 -1.253 1.00 0.00 C ATOM 1491 O GLU A 96 178.656 -14.280 -2.020 1.00 0.00 O ATOM 1492 CB GLU A 96 182.057 -14.142 -1.493 1.00 0.00 C ATOM 1493 CG GLU A 96 182.401 -13.965 -2.963 1.00 0.00 C ATOM 1494 CD GLU A 96 182.848 -12.554 -3.291 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.143 -11.601 -2.897 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.903 -12.401 -3.941 1.00 0.00 O ATOM 0 H GLU A 96 181.622 -13.328 0.793 1.00 0.00 H new ATOM 0 HA GLU A 96 180.530 -12.652 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 96 182.855 -13.712 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 96 182.020 -15.207 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 96 183.191 -14.665 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.531 -14.217 -3.569 1.00 0.00 H new ATOM 1503 N GLU A 97 179.679 -15.610 -0.521 1.00 0.00 N ATOM 1504 CA GLU A 97 178.655 -16.646 -0.577 1.00 0.00 C ATOM 1505 C GLU A 97 177.618 -16.433 0.521 1.00 0.00 C ATOM 1506 O GLU A 97 177.892 -15.770 1.521 1.00 0.00 O ATOM 1507 CB GLU A 97 179.293 -18.030 -0.438 1.00 0.00 C ATOM 1508 CG GLU A 97 179.940 -18.272 0.916 1.00 0.00 C ATOM 1509 CD GLU A 97 181.398 -17.857 0.949 1.00 0.00 C ATOM 1510 OE1 GLU A 97 182.208 -18.477 0.227 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.730 -16.912 1.695 1.00 0.00 O ATOM 0 H GLU A 97 180.448 -15.811 0.118 1.00 0.00 H new ATOM 0 HA GLU A 97 178.155 -16.584 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 97 178.531 -18.790 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.045 -18.153 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.392 -17.721 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.861 -19.330 1.168 1.00 0.00 H new ATOM 1518 N ASP A 98 176.429 -17.002 0.331 1.00 0.00 N ATOM 1519 CA ASP A 98 175.348 -16.876 1.307 1.00 0.00 C ATOM 1520 C ASP A 98 175.216 -15.438 1.802 1.00 0.00 C ATOM 1521 O ASP A 98 175.899 -15.030 2.743 1.00 0.00 O ATOM 1522 CB ASP A 98 175.591 -17.815 2.491 1.00 0.00 C ATOM 1523 CG ASP A 98 174.868 -19.138 2.336 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.619 -19.136 2.345 1.00 0.00 O ATOM 1525 OD2 ASP A 98 175.550 -20.176 2.208 1.00 0.00 O ATOM 0 H ASP A 98 176.189 -17.556 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 98 174.417 -17.154 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.661 -17.998 2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.262 -17.330 3.410 1.00 0.00 H new ATOM 1530 N ARG A 99 174.337 -14.671 1.166 1.00 0.00 N ATOM 1531 CA ARG A 99 174.125 -13.280 1.546 1.00 0.00 C ATOM 1532 C ARG A 99 172.749 -13.085 2.175 1.00 0.00 C ATOM 1533 O ARG A 99 171.805 -13.813 1.868 1.00 0.00 O ATOM 1534 CB ARG A 99 174.274 -12.369 0.327 1.00 0.00 C ATOM 1535 CG ARG A 99 173.336 -12.726 -0.816 1.00 0.00 C ATOM 1536 CD ARG A 99 172.313 -11.629 -1.065 1.00 0.00 C ATOM 1537 NE ARG A 99 171.272 -12.054 -1.997 1.00 0.00 N ATOM 1538 CZ ARG A 99 170.406 -11.222 -2.571 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.454 -9.920 -2.313 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.490 -11.691 -3.406 1.00 0.00 N ATOM 0 H ARG A 99 173.761 -14.989 0.386 1.00 0.00 H new ATOM 0 HA ARG A 99 174.880 -13.016 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.090 -11.338 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 99 175.303 -12.418 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.916 -12.896 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.821 -13.659 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.856 -11.338 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 99 172.816 -10.747 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 99 171.205 -13.047 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 99 171.157 -9.553 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.788 -9.287 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.448 -12.690 -3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 99 168.826 -11.053 -3.846 1.00 0.00 H new ATOM 1554 N GLU A 100 172.645 -12.094 3.053 1.00 0.00 N ATOM 1555 CA GLU A 100 171.386 -11.794 3.726 1.00 0.00 C ATOM 1556 C GLU A 100 171.070 -10.305 3.627 1.00 0.00 C ATOM 1557 O GLU A 100 171.965 -9.463 3.730 1.00 0.00 O ATOM 1558 CB GLU A 100 171.446 -12.215 5.200 1.00 0.00 C ATOM 1559 CG GLU A 100 172.314 -13.438 5.462 1.00 0.00 C ATOM 1560 CD GLU A 100 172.607 -13.638 6.936 1.00 0.00 C ATOM 1561 OE1 GLU A 100 171.801 -14.305 7.617 1.00 0.00 O ATOM 1562 OE2 GLU A 100 173.644 -13.126 7.409 1.00 0.00 O ATOM 0 H GLU A 100 173.419 -11.483 3.316 1.00 0.00 H new ATOM 0 HA GLU A 100 170.595 -12.358 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 100 171.825 -11.381 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.434 -12.419 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 100 171.815 -14.324 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 100 173.253 -13.336 4.919 1.00 0.00 H new ATOM 1569 N PHE A 101 169.795 -9.986 3.422 1.00 0.00 N ATOM 1570 CA PHE A 101 169.369 -8.597 3.305 1.00 0.00 C ATOM 1571 C PHE A 101 168.063 -8.351 4.058 1.00 0.00 C ATOM 1572 O PHE A 101 167.171 -9.199 4.070 1.00 0.00 O ATOM 1573 CB PHE A 101 169.207 -8.213 1.830 1.00 0.00 C ATOM 1574 CG PHE A 101 167.976 -8.786 1.184 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.954 -10.101 0.747 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.842 -8.008 1.014 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.823 -10.630 0.154 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.709 -8.531 0.421 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.699 -9.843 -0.010 1.00 0.00 C ATOM 0 H PHE A 101 169.042 -10.669 3.334 1.00 0.00 H new ATOM 0 HA PHE A 101 170.141 -7.972 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.176 -7.126 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.085 -8.549 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.831 -10.720 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.844 -6.981 1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 101 166.818 -11.657 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.832 -7.914 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.814 -10.253 -0.474 1.00 0.00 H new ATOM 1589 N HIS A 102 167.959 -7.179 4.676 1.00 0.00 N ATOM 1590 CA HIS A 102 166.764 -6.804 5.422 1.00 0.00 C ATOM 1591 C HIS A 102 166.405 -5.348 5.130 1.00 0.00 C ATOM 1592 O HIS A 102 167.234 -4.592 4.623 1.00 0.00 O ATOM 1593 CB HIS A 102 166.946 -7.023 6.936 1.00 0.00 C ATOM 1594 CG HIS A 102 168.371 -7.160 7.405 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.820 -6.614 8.589 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.442 -7.798 6.864 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.099 -6.907 8.754 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.498 -7.623 7.723 1.00 0.00 N ATOM 0 H HIS A 102 168.692 -6.470 4.674 1.00 0.00 H new ATOM 0 HA HIS A 102 165.947 -7.448 5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.487 -6.187 7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.399 -7.921 7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.459 -8.342 5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.712 -6.610 9.592 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.440 -7.989 7.585 1.00 0.00 H new ATOM 1607 N VAL A 103 165.166 -4.960 5.425 1.00 0.00 N ATOM 1608 CA VAL A 103 164.733 -3.591 5.155 1.00 0.00 C ATOM 1609 C VAL A 103 163.657 -3.100 6.120 1.00 0.00 C ATOM 1610 O VAL A 103 162.762 -3.849 6.510 1.00 0.00 O ATOM 1611 CB VAL A 103 164.195 -3.459 3.716 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.916 -4.266 3.545 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.961 -1.999 3.357 1.00 0.00 C ATOM 0 H VAL A 103 164.456 -5.561 5.843 1.00 0.00 H new ATOM 0 HA VAL A 103 165.619 -2.971 5.291 1.00 0.00 H new ATOM 0 HB VAL A 103 164.946 -3.859 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.553 -4.160 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.119 -5.317 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.159 -3.900 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.582 -1.931 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.233 -1.567 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.900 -1.451 3.432 1.00 0.00 H new ATOM 1623 N ILE A 104 163.742 -1.818 6.469 1.00 0.00 N ATOM 1624 CA ILE A 104 162.766 -1.193 7.355 1.00 0.00 C ATOM 1625 C ILE A 104 161.905 -0.201 6.586 1.00 0.00 C ATOM 1626 O ILE A 104 162.409 0.568 5.769 1.00 0.00 O ATOM 1627 CB ILE A 104 163.425 -0.454 8.537 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.766 0.173 8.117 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.594 -1.399 9.714 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.945 -0.775 8.187 1.00 0.00 C ATOM 0 H ILE A 104 164.480 -1.191 6.150 1.00 0.00 H new ATOM 0 HA ILE A 104 162.155 -2.002 7.754 1.00 0.00 H new ATOM 0 HB ILE A 104 162.772 0.362 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.675 0.547 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.968 1.033 8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.060 -0.867 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.618 -1.771 10.025 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.225 -2.237 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.850 -0.254 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.066 -1.131 9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.769 -1.624 7.526 1.00 0.00 H new ATOM 1642 N TRP A 105 160.605 -0.219 6.854 1.00 0.00 N ATOM 1643 CA TRP A 105 159.677 0.689 6.185 1.00 0.00 C ATOM 1644 C TRP A 105 159.015 1.631 7.186 1.00 0.00 C ATOM 1645 O TRP A 105 158.816 1.278 8.348 1.00 0.00 O ATOM 1646 CB TRP A 105 158.605 -0.093 5.423 1.00 0.00 C ATOM 1647 CG TRP A 105 159.155 -1.224 4.602 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.248 -2.535 4.973 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.681 -1.148 3.269 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.794 -3.278 3.953 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.067 -2.449 2.896 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.862 -0.107 2.352 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.617 -2.734 1.648 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.404 -0.389 1.120 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.776 -1.693 0.773 1.00 0.00 C ATOM 0 H TRP A 105 160.169 -0.849 7.527 1.00 0.00 H new ATOM 0 HA TRP A 105 160.252 1.283 5.475 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.882 -0.490 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.065 0.591 4.768 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.938 -2.931 5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.968 -4.283 3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.580 0.904 2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.907 -3.739 1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.545 0.410 0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.197 -1.882 -0.204 1.00 0.00 H new ATOM 1666 N LYS A 106 158.675 2.830 6.724 1.00 0.00 N ATOM 1667 CA LYS A 106 158.033 3.826 7.573 1.00 0.00 C ATOM 1668 C LYS A 106 156.686 3.322 8.083 1.00 0.00 C ATOM 1669 O LYS A 106 156.040 2.492 7.443 1.00 0.00 O ATOM 1670 CB LYS A 106 157.844 5.134 6.801 1.00 0.00 C ATOM 1671 CG LYS A 106 158.402 6.352 7.521 1.00 0.00 C ATOM 1672 CD LYS A 106 157.300 7.164 8.185 1.00 0.00 C ATOM 1673 CE LYS A 106 157.031 8.462 7.438 1.00 0.00 C ATOM 1674 NZ LYS A 106 157.321 9.656 8.280 1.00 0.00 N ATOM 0 H LYS A 106 158.834 3.135 5.764 1.00 0.00 H new ATOM 0 HA LYS A 106 158.679 4.007 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.327 5.045 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.781 5.287 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.123 6.032 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 106 158.940 6.980 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 106 156.386 6.572 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.582 7.388 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 106 157.643 8.496 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 106 155.989 8.488 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 157.125 10.520 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.719 9.637 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 158.321 9.645 8.565 1.00 0.00 H new ATOM 1688 N LYS A 107 156.267 3.831 9.237 1.00 0.00 N ATOM 1689 CA LYS A 107 154.995 3.434 9.832 1.00 0.00 C ATOM 1690 C LYS A 107 153.875 4.373 9.397 1.00 0.00 C ATOM 1691 O LYS A 107 152.944 3.904 8.708 1.00 0.00 O ATOM 1692 CB LYS A 107 155.102 3.423 11.357 1.00 0.00 C ATOM 1693 CG LYS A 107 156.333 2.696 11.877 1.00 0.00 C ATOM 1694 CD LYS A 107 157.268 3.638 12.618 1.00 0.00 C ATOM 1695 CE LYS A 107 158.610 2.982 12.902 1.00 0.00 C ATOM 1696 NZ LYS A 107 159.450 3.806 13.814 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.936 5.570 9.749 1.00 0.00 O ATOM 0 H LYS A 107 156.789 4.519 9.779 1.00 0.00 H new ATOM 0 HA LYS A 107 154.758 2.428 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 107 155.118 4.451 11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.211 2.953 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.026 1.889 12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 107 156.864 2.237 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.421 4.540 12.026 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.807 3.946 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.447 2.000 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 107 159.142 2.823 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 160.356 3.324 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 159.627 4.734 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 158.954 3.937 14.719 1.00 0.00 H new