USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 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 73 SER OG : rot 180:sc= 0.00584 USER MOD Set 1.2: A 86 LYS NZ :NH3+ -149:sc= -0.0893 (180deg=-1.05) USER MOD Set 2.1: A 20 GLN : amide:sc= -1.97! C(o=-2.4!,f=-12!) USER MOD Set 2.2: A 24 TYR OH : rot 62:sc= -0.448 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 29 ASN : amide:sc= -5.11! C(o=-5.1!,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 95:sc= 1.32 USER MOD Single : A 19 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.068) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0609) USER MOD Single : A 39 GLN : amide:sc= -4.77! C(o=-4.8!,f=-7.2!) USER MOD Single : A 41 LYS NZ :NH3+ -103:sc= -0.548 (180deg=-1.38!) USER MOD Single : A 52 MET CE :methyl -149:sc= -10.8! (180deg=-15!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.604 K(o=-0.6,f=-1.7!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.205 F(o=-0.75,f=-0.2) USER MOD Single : A 62 THR OG1 : rot 90:sc= -4.15! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.1!) USER MOD Single : A 80 MET CE :methyl -175:sc= -7.18! (180deg=-7.53!) USER MOD Single : A 83 SER OG : rot 73:sc= 0.173 USER MOD Single : A 87 THR OG1 : rot -49:sc= 0.253 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 170:sc= -0.679 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -10.847 -3.676 5.583 1.00 0.00 N ATOM 157 CA ALA A 12 -9.935 -3.057 6.586 1.00 0.00 C ATOM 158 C ALA A 12 -8.483 -3.190 6.123 1.00 0.00 C ATOM 159 O ALA A 12 -7.657 -2.337 6.382 1.00 0.00 O ATOM 160 CB ALA A 12 -10.164 -3.848 7.873 1.00 0.00 C ATOM 0 HA ALA A 12 -10.130 -1.994 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.526 -3.451 8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.208 -3.761 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.921 -4.897 7.703 1.00 0.00 H new ATOM 166 N LEU A 13 -8.166 -4.255 5.437 1.00 0.00 N ATOM 167 CA LEU A 13 -6.769 -4.446 4.953 1.00 0.00 C ATOM 168 C LEU A 13 -6.422 -3.386 3.905 1.00 0.00 C ATOM 169 O LEU A 13 -5.319 -2.880 3.861 1.00 0.00 O ATOM 170 CB LEU A 13 -6.755 -5.842 4.330 1.00 0.00 C ATOM 171 CG LEU A 13 -5.323 -6.216 3.942 1.00 0.00 C ATOM 172 CD1 LEU A 13 -4.801 -7.296 4.892 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.306 -6.749 2.508 1.00 0.00 C ATOM 0 H LEU A 13 -8.815 -5.002 5.191 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.037 -4.349 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.153 -6.571 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.399 -5.865 3.451 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.687 -5.334 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.781 -7.562 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.813 -6.918 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.437 -8.179 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.286 -7.016 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.943 -7.631 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.677 -5.981 1.830 1.00 0.00 H new ATOM 185 N GLU A 14 -7.357 -3.047 3.059 1.00 0.00 N ATOM 186 CA GLU A 14 -7.082 -2.021 2.013 1.00 0.00 C ATOM 187 C GLU A 14 -6.698 -0.690 2.664 1.00 0.00 C ATOM 188 O GLU A 14 -5.746 -0.047 2.270 1.00 0.00 O ATOM 189 CB GLU A 14 -8.397 -1.878 1.245 1.00 0.00 C ATOM 190 CG GLU A 14 -8.208 -0.898 0.087 1.00 0.00 C ATOM 191 CD GLU A 14 -8.599 -1.577 -1.227 1.00 0.00 C ATOM 192 OE1 GLU A 14 -8.614 -2.797 -1.259 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.878 -0.867 -2.179 1.00 0.00 O ATOM 0 H GLU A 14 -8.300 -3.436 3.047 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.256 -2.307 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.716 -2.849 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.183 -1.523 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.819 -0.010 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.170 -0.567 0.043 1.00 0.00 H new ATOM 200 N ALA A 15 -7.433 -0.274 3.657 1.00 0.00 N ATOM 201 CA ALA A 15 -7.113 1.015 4.334 1.00 0.00 C ATOM 202 C ALA A 15 -5.848 0.865 5.184 1.00 0.00 C ATOM 203 O ALA A 15 -5.023 1.755 5.249 1.00 0.00 O ATOM 204 CB ALA A 15 -8.324 1.304 5.218 1.00 0.00 C ATOM 0 H ALA A 15 -8.242 -0.771 4.030 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.924 1.821 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.168 2.240 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.216 1.385 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.453 0.493 5.935 1.00 0.00 H new ATOM 210 N LYS A 16 -5.689 -0.255 5.833 1.00 0.00 N ATOM 211 CA LYS A 16 -4.477 -0.462 6.674 1.00 0.00 C ATOM 212 C LYS A 16 -3.215 -0.313 5.821 1.00 0.00 C ATOM 213 O LYS A 16 -2.228 0.252 6.248 1.00 0.00 O ATOM 214 CB LYS A 16 -4.602 -1.890 7.207 1.00 0.00 C ATOM 215 CG LYS A 16 -5.557 -1.906 8.401 1.00 0.00 C ATOM 216 CD LYS A 16 -5.826 -3.352 8.821 1.00 0.00 C ATOM 217 CE LYS A 16 -7.036 -3.396 9.755 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.460 -3.429 11.129 1.00 0.00 N ATOM 0 H LYS A 16 -6.346 -1.035 5.817 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.403 0.266 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.971 -2.551 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.623 -2.265 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.125 -1.349 9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.493 -1.413 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.010 -3.969 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.951 -3.765 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.675 -2.524 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.651 -4.275 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.230 -3.460 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.862 -4.274 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.885 -2.576 11.285 1.00 0.00 H new ATOM 232 N ILE A 17 -3.241 -0.816 4.617 1.00 0.00 N ATOM 233 CA ILE A 17 -2.043 -0.703 3.735 1.00 0.00 C ATOM 234 C ILE A 17 -1.771 0.764 3.395 1.00 0.00 C ATOM 235 O ILE A 17 -0.648 1.225 3.450 1.00 0.00 O ATOM 236 CB ILE A 17 -2.405 -1.489 2.475 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.548 -2.972 2.824 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.301 -1.316 1.430 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.336 -3.682 1.722 1.00 0.00 C ATOM 0 H ILE A 17 -4.039 -1.300 4.206 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.142 -1.089 4.211 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.347 -1.117 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.564 -3.427 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.059 -3.084 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.559 -1.877 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.198 -0.260 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.358 -1.688 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.438 -4.738 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.325 -3.233 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.807 -3.582 0.774 1.00 0.00 H new ATOM 251 N CYS A 18 -2.790 1.503 3.046 1.00 0.00 N ATOM 252 CA CYS A 18 -2.584 2.941 2.705 1.00 0.00 C ATOM 253 C CYS A 18 -1.976 3.678 3.902 1.00 0.00 C ATOM 254 O CYS A 18 -1.042 4.442 3.766 1.00 0.00 O ATOM 255 CB CYS A 18 -3.980 3.480 2.397 1.00 0.00 C ATOM 256 SG CYS A 18 -4.783 2.414 1.175 1.00 0.00 S ATOM 0 H CYS A 18 -3.754 1.175 2.982 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.903 3.076 1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.576 3.519 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.912 4.499 2.017 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.527 1.539 1.784 1.00 0.00 H new ATOM 262 N HIS A 19 -2.498 3.443 5.073 1.00 0.00 N ATOM 263 CA HIS A 19 -1.953 4.116 6.286 1.00 0.00 C ATOM 264 C HIS A 19 -0.481 3.748 6.468 1.00 0.00 C ATOM 265 O HIS A 19 0.318 4.551 6.906 1.00 0.00 O ATOM 266 CB HIS A 19 -2.791 3.586 7.451 1.00 0.00 C ATOM 267 CG HIS A 19 -3.757 4.649 7.897 1.00 0.00 C ATOM 268 ND1 HIS A 19 -5.086 4.371 8.172 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.601 5.995 8.118 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.674 5.523 8.541 1.00 0.00 C ATOM 271 NE2 HIS A 19 -4.813 6.545 8.525 1.00 0.00 N ATOM 0 H HIS A 19 -3.281 2.812 5.243 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.005 5.203 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.334 2.691 7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.142 3.298 8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.679 6.543 7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.715 5.611 8.816 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.003 7.519 8.761 1.00 0.00 H new ATOM 279 N GLN A 20 -0.115 2.541 6.137 1.00 0.00 N ATOM 280 CA GLN A 20 1.309 2.138 6.297 1.00 0.00 C ATOM 281 C GLN A 20 2.186 3.011 5.403 1.00 0.00 C ATOM 282 O GLN A 20 3.171 3.569 5.844 1.00 0.00 O ATOM 283 CB GLN A 20 1.365 0.678 5.845 1.00 0.00 C ATOM 284 CG GLN A 20 1.341 -0.237 7.070 1.00 0.00 C ATOM 285 CD GLN A 20 2.515 0.108 7.989 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.314 0.968 7.674 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.653 -0.529 9.120 1.00 0.00 N ATOM 0 H GLN A 20 -0.735 1.821 5.765 1.00 0.00 H new ATOM 0 HA GLN A 20 1.667 2.254 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.519 0.455 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.270 0.501 5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.399 -0.120 7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.403 -1.280 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.982 -1.251 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.432 -0.305 9.740 1.00 0.00 H new ATOM 296 N ILE A 21 1.822 3.168 4.158 1.00 0.00 N ATOM 297 CA ILE A 21 2.635 4.037 3.262 1.00 0.00 C ATOM 298 C ILE A 21 2.703 5.432 3.878 1.00 0.00 C ATOM 299 O ILE A 21 3.706 6.112 3.806 1.00 0.00 O ATOM 300 CB ILE A 21 1.882 4.066 1.933 1.00 0.00 C ATOM 301 CG1 ILE A 21 1.834 2.651 1.347 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.607 4.999 0.961 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.184 2.309 0.711 1.00 0.00 C ATOM 0 H ILE A 21 1.005 2.736 3.727 1.00 0.00 H new ATOM 0 HA ILE A 21 3.655 3.678 3.123 1.00 0.00 H new ATOM 0 HB ILE A 21 0.866 4.427 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.597 1.931 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.042 2.583 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.072 5.022 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.644 6.004 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.622 4.636 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.146 1.302 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.403 3.022 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.966 2.359 1.468 1.00 0.00 H new ATOM 315 N GLU A 22 1.639 5.844 4.507 1.00 0.00 N ATOM 316 CA GLU A 22 1.622 7.178 5.163 1.00 0.00 C ATOM 317 C GLU A 22 2.693 7.225 6.259 1.00 0.00 C ATOM 318 O GLU A 22 3.290 8.247 6.518 1.00 0.00 O ATOM 319 CB GLU A 22 0.225 7.302 5.772 1.00 0.00 C ATOM 320 CG GLU A 22 -0.430 8.598 5.287 1.00 0.00 C ATOM 321 CD GLU A 22 -1.540 9.004 6.258 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.289 8.987 7.452 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.621 9.324 5.792 1.00 0.00 O ATOM 0 H GLU A 22 0.775 5.309 4.595 1.00 0.00 H new ATOM 0 HA GLU A 22 1.833 7.991 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.385 6.445 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.289 7.300 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.315 9.391 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.840 8.458 4.287 1.00 0.00 H new ATOM 330 N TYR A 23 2.920 6.123 6.921 1.00 0.00 N ATOM 331 CA TYR A 23 3.933 6.097 8.016 1.00 0.00 C ATOM 332 C TYR A 23 5.339 6.436 7.492 1.00 0.00 C ATOM 333 O TYR A 23 6.064 7.191 8.108 1.00 0.00 O ATOM 334 CB TYR A 23 3.886 4.667 8.559 1.00 0.00 C ATOM 335 CG TYR A 23 5.132 4.384 9.363 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.343 4.139 8.707 1.00 0.00 C ATOM 337 CD2 TYR A 23 5.075 4.360 10.761 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.499 3.871 9.448 1.00 0.00 C ATOM 339 CE2 TYR A 23 6.232 4.093 11.504 1.00 0.00 C ATOM 340 CZ TYR A 23 7.445 3.848 10.847 1.00 0.00 C ATOM 341 OH TYR A 23 8.584 3.584 11.579 1.00 0.00 O ATOM 0 H TYR A 23 2.446 5.236 6.750 1.00 0.00 H new ATOM 0 HA TYR A 23 3.715 6.840 8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.002 4.534 9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.805 3.958 7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.386 4.157 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.139 4.547 11.267 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.433 3.682 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.189 4.076 12.583 1.00 0.00 H new ATOM 0 HH TYR A 23 8.371 3.607 12.535 1.00 0.00 H new ATOM 351 N TYR A 24 5.746 5.882 6.375 1.00 0.00 N ATOM 352 CA TYR A 24 7.121 6.197 5.866 1.00 0.00 C ATOM 353 C TYR A 24 7.161 7.574 5.207 1.00 0.00 C ATOM 354 O TYR A 24 8.127 8.300 5.326 1.00 0.00 O ATOM 355 CB TYR A 24 7.478 5.138 4.817 1.00 0.00 C ATOM 356 CG TYR A 24 6.741 3.855 5.075 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.257 2.913 5.970 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.548 3.606 4.404 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.568 1.717 6.192 1.00 0.00 C ATOM 360 CE2 TYR A 24 4.860 2.417 4.623 1.00 0.00 C ATOM 361 CZ TYR A 24 5.366 1.467 5.518 1.00 0.00 C ATOM 362 OH TYR A 24 4.684 0.288 5.736 1.00 0.00 O ATOM 0 H TYR A 24 5.200 5.238 5.803 1.00 0.00 H new ATOM 0 HA TYR A 24 7.826 6.196 6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.232 5.509 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.552 4.954 4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.184 3.109 6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.156 4.337 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.962 0.986 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.934 2.226 4.102 1.00 0.00 H new ATOM 0 HH TYR A 24 4.417 0.234 6.677 1.00 0.00 H new ATOM 372 N PHE A 25 6.135 7.934 4.488 1.00 0.00 N ATOM 373 CA PHE A 25 6.159 9.265 3.804 1.00 0.00 C ATOM 374 C PHE A 25 5.225 10.268 4.485 1.00 0.00 C ATOM 375 O PHE A 25 5.405 11.463 4.365 1.00 0.00 O ATOM 376 CB PHE A 25 5.668 8.993 2.381 1.00 0.00 C ATOM 377 CG PHE A 25 6.533 7.942 1.727 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.690 8.318 1.034 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.170 6.593 1.804 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.485 7.343 0.421 1.00 0.00 C ATOM 381 CE2 PHE A 25 6.965 5.619 1.190 1.00 0.00 C ATOM 382 CZ PHE A 25 8.124 5.993 0.498 1.00 0.00 C ATOM 0 H PHE A 25 5.292 7.378 4.343 1.00 0.00 H new ATOM 0 HA PHE A 25 7.158 9.699 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.631 8.659 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.695 9.913 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.969 9.360 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.276 6.304 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.378 7.633 -0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.685 4.578 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.738 5.241 0.025 1.00 0.00 H new ATOM 392 N GLY A 26 4.225 9.802 5.182 1.00 0.00 N ATOM 393 CA GLY A 26 3.277 10.742 5.854 1.00 0.00 C ATOM 394 C GLY A 26 4.004 12.035 6.219 1.00 0.00 C ATOM 395 O GLY A 26 3.547 13.120 5.921 1.00 0.00 O ATOM 0 H GLY A 26 4.022 8.812 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.437 10.960 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.866 10.279 6.751 1.00 0.00 H new ATOM 399 N ASP A 27 5.139 11.919 6.854 1.00 0.00 N ATOM 400 CA ASP A 27 5.923 13.130 7.246 1.00 0.00 C ATOM 401 C ASP A 27 6.870 12.774 8.392 1.00 0.00 C ATOM 402 O ASP A 27 7.851 13.446 8.633 1.00 0.00 O ATOM 403 CB ASP A 27 4.888 14.160 7.712 1.00 0.00 C ATOM 404 CG ASP A 27 5.550 15.165 8.659 1.00 0.00 C ATOM 405 OD1 ASP A 27 6.632 15.629 8.336 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.964 15.452 9.690 1.00 0.00 O ATOM 0 H ASP A 27 5.562 11.030 7.121 1.00 0.00 H new ATOM 0 HA ASP A 27 6.526 13.515 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.465 14.680 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.063 13.658 8.218 1.00 0.00 H new ATOM 411 N PHE A 28 6.575 11.721 9.103 1.00 0.00 N ATOM 412 CA PHE A 28 7.452 11.318 10.243 1.00 0.00 C ATOM 413 C PHE A 28 8.677 10.551 9.743 1.00 0.00 C ATOM 414 O PHE A 28 9.780 10.759 10.206 1.00 0.00 O ATOM 415 CB PHE A 28 6.598 10.415 11.147 1.00 0.00 C ATOM 416 CG PHE A 28 5.137 10.521 10.778 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.365 11.585 11.260 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.555 9.551 9.953 1.00 0.00 C ATOM 419 CE1 PHE A 28 3.012 11.680 10.916 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.201 9.647 9.609 1.00 0.00 C ATOM 421 CZ PHE A 28 2.429 10.710 10.091 1.00 0.00 C ATOM 0 H PHE A 28 5.765 11.121 8.946 1.00 0.00 H new ATOM 0 HA PHE A 28 7.817 12.194 10.779 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.928 9.381 11.053 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.737 10.700 12.190 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.814 12.332 11.897 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.150 8.729 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.417 12.502 11.287 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.752 8.900 8.971 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.384 10.782 9.827 1.00 0.00 H new ATOM 431 N ASN A 29 8.488 9.646 8.824 1.00 0.00 N ATOM 432 CA ASN A 29 9.641 8.846 8.320 1.00 0.00 C ATOM 433 C ASN A 29 10.502 9.634 7.325 1.00 0.00 C ATOM 434 O ASN A 29 11.696 9.449 7.256 1.00 0.00 O ATOM 435 CB ASN A 29 9.007 7.639 7.637 1.00 0.00 C ATOM 436 CG ASN A 29 9.174 6.406 8.527 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.390 5.314 8.039 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.080 6.534 9.822 1.00 0.00 N ATOM 0 H ASN A 29 7.587 9.425 8.400 1.00 0.00 H new ATOM 0 HA ASN A 29 10.313 8.569 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.949 7.826 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.476 7.468 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.188 5.718 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.899 7.450 10.232 1.00 0.00 H new ATOM 445 N LEU A 30 9.910 10.486 6.536 1.00 0.00 N ATOM 446 CA LEU A 30 10.710 11.244 5.522 1.00 0.00 C ATOM 447 C LEU A 30 11.841 12.051 6.176 1.00 0.00 C ATOM 448 O LEU A 30 12.946 12.083 5.672 1.00 0.00 O ATOM 449 CB LEU A 30 9.701 12.187 4.863 1.00 0.00 C ATOM 450 CG LEU A 30 9.831 12.102 3.341 1.00 0.00 C ATOM 451 CD1 LEU A 30 11.163 12.714 2.906 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.777 10.635 2.907 1.00 0.00 C ATOM 0 H LEU A 30 8.911 10.693 6.546 1.00 0.00 H new ATOM 0 HA LEU A 30 11.193 10.573 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.688 11.921 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.875 13.210 5.196 1.00 0.00 H new ATOM 0 HG LEU A 30 9.012 12.650 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.255 12.653 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.202 13.759 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.984 12.167 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.869 10.573 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.596 10.087 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.827 10.199 3.216 1.00 0.00 H new ATOM 464 N PRO A 31 11.528 12.685 7.269 1.00 0.00 N ATOM 465 CA PRO A 31 12.532 13.512 7.987 1.00 0.00 C ATOM 466 C PRO A 31 13.744 12.678 8.426 1.00 0.00 C ATOM 467 O PRO A 31 14.845 13.181 8.521 1.00 0.00 O ATOM 468 CB PRO A 31 11.776 14.035 9.208 1.00 0.00 C ATOM 469 CG PRO A 31 10.327 13.852 8.887 1.00 0.00 C ATOM 470 CD PRO A 31 10.227 12.698 7.930 1.00 0.00 C ATOM 0 HA PRO A 31 12.931 14.306 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.052 13.483 10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.008 15.084 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.755 13.652 9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.914 14.757 8.443 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.033 11.761 8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.416 12.839 7.216 1.00 0.00 H new ATOM 478 N ARG A 32 13.557 11.418 8.709 1.00 0.00 N ATOM 479 CA ARG A 32 14.713 10.585 9.156 1.00 0.00 C ATOM 480 C ARG A 32 14.846 9.323 8.299 1.00 0.00 C ATOM 481 O ARG A 32 15.718 8.506 8.515 1.00 0.00 O ATOM 482 CB ARG A 32 14.392 10.214 10.602 1.00 0.00 C ATOM 483 CG ARG A 32 15.303 11.002 11.543 1.00 0.00 C ATOM 484 CD ARG A 32 15.735 10.107 12.706 1.00 0.00 C ATOM 485 NE ARG A 32 17.033 10.673 13.167 1.00 0.00 N ATOM 486 CZ ARG A 32 17.524 10.327 14.326 1.00 0.00 C ATOM 487 NH1 ARG A 32 16.880 9.481 15.082 1.00 0.00 N ATOM 488 NH2 ARG A 32 18.660 10.827 14.728 1.00 0.00 N ATOM 0 H ARG A 32 12.663 10.931 8.651 1.00 0.00 H new ATOM 0 HA ARG A 32 15.658 11.121 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.347 10.433 10.822 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.532 9.144 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.179 11.361 11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.780 11.880 11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.995 10.115 13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.848 9.071 12.386 1.00 0.00 H new ATOM 0 HE ARG A 32 17.539 11.332 12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.992 9.089 14.768 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.264 9.211 15.987 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.164 11.488 14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.044 10.557 15.634 1.00 0.00 H new ATOM 502 N ASP A 33 13.972 9.142 7.352 1.00 0.00 N ATOM 503 CA ASP A 33 14.034 7.911 6.511 1.00 0.00 C ATOM 504 C ASP A 33 15.363 7.827 5.757 1.00 0.00 C ATOM 505 O ASP A 33 15.536 8.418 4.711 1.00 0.00 O ATOM 506 CB ASP A 33 12.877 8.059 5.522 1.00 0.00 C ATOM 507 CG ASP A 33 11.686 7.228 6.000 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.611 6.967 7.189 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.868 6.867 5.169 1.00 0.00 O ATOM 0 H ASP A 33 13.218 9.789 7.122 1.00 0.00 H new ATOM 0 HA ASP A 33 13.960 7.005 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.591 9.107 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.188 7.731 4.530 1.00 0.00 H new ATOM 514 N LYS A 34 16.295 7.077 6.282 1.00 0.00 N ATOM 515 CA LYS A 34 17.614 6.930 5.591 1.00 0.00 C ATOM 516 C LYS A 34 17.465 6.009 4.383 1.00 0.00 C ATOM 517 O LYS A 34 17.928 6.299 3.297 1.00 0.00 O ATOM 518 CB LYS A 34 18.574 6.295 6.609 1.00 0.00 C ATOM 519 CG LYS A 34 17.804 5.708 7.794 1.00 0.00 C ATOM 520 CD LYS A 34 18.770 4.958 8.711 1.00 0.00 C ATOM 521 CE LYS A 34 17.986 3.980 9.589 1.00 0.00 C ATOM 522 NZ LYS A 34 18.999 3.386 10.504 1.00 0.00 N ATOM 0 H LYS A 34 16.203 6.560 7.157 1.00 0.00 H new ATOM 0 HA LYS A 34 17.986 7.893 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.157 5.511 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.281 7.045 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.305 6.504 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.027 5.032 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.507 4.419 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.318 5.664 9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.202 4.492 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.499 3.212 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.536 2.704 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.729 2.899 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.441 4.139 11.069 1.00 0.00 H new ATOM 536 N PHE A 35 16.815 4.899 4.575 1.00 0.00 N ATOM 537 CA PHE A 35 16.620 3.938 3.451 1.00 0.00 C ATOM 538 C PHE A 35 15.682 4.542 2.405 1.00 0.00 C ATOM 539 O PHE A 35 15.917 4.445 1.216 1.00 0.00 O ATOM 540 CB PHE A 35 15.996 2.694 4.086 1.00 0.00 C ATOM 541 CG PHE A 35 14.705 3.065 4.780 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.506 3.100 4.058 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.707 3.369 6.147 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.310 3.439 4.702 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.511 3.710 6.790 1.00 0.00 C ATOM 546 CZ PHE A 35 12.313 3.744 6.069 1.00 0.00 C ATOM 0 H PHE A 35 16.407 4.612 5.465 1.00 0.00 H new ATOM 0 HA PHE A 35 17.554 3.701 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.805 1.941 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.690 2.253 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.504 2.865 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.631 3.340 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.385 3.465 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.513 3.947 7.844 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.391 4.005 6.566 1.00 0.00 H new ATOM 556 N LEU A 36 14.628 5.177 2.837 1.00 0.00 N ATOM 557 CA LEU A 36 13.687 5.798 1.866 1.00 0.00 C ATOM 558 C LEU A 36 14.416 6.890 1.081 1.00 0.00 C ATOM 559 O LEU A 36 14.185 7.089 -0.096 1.00 0.00 O ATOM 560 CB LEU A 36 12.576 6.406 2.720 1.00 0.00 C ATOM 561 CG LEU A 36 11.222 6.160 2.055 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.307 6.491 0.562 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.827 4.690 2.230 1.00 0.00 C ATOM 0 H LEU A 36 14.379 5.292 3.819 1.00 0.00 H new ATOM 0 HA LEU A 36 13.293 5.081 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.588 5.965 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.743 7.476 2.843 1.00 0.00 H new ATOM 0 HG LEU A 36 10.472 6.799 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.339 6.313 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.584 7.538 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.059 5.858 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.861 4.514 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.580 4.053 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.758 4.456 3.292 1.00 0.00 H new ATOM 575 N LYS A 37 15.306 7.589 1.730 1.00 0.00 N ATOM 576 CA LYS A 37 16.069 8.663 1.033 1.00 0.00 C ATOM 577 C LYS A 37 16.917 8.051 -0.083 1.00 0.00 C ATOM 578 O LYS A 37 17.233 8.696 -1.064 1.00 0.00 O ATOM 579 CB LYS A 37 16.965 9.280 2.108 1.00 0.00 C ATOM 580 CG LYS A 37 16.794 10.801 2.107 1.00 0.00 C ATOM 581 CD LYS A 37 17.758 11.421 1.094 1.00 0.00 C ATOM 582 CE LYS A 37 18.777 12.296 1.828 1.00 0.00 C ATOM 583 NZ LYS A 37 19.718 11.333 2.466 1.00 0.00 N ATOM 0 H LYS A 37 15.538 7.463 2.715 1.00 0.00 H new ATOM 0 HA LYS A 37 15.417 9.407 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.707 8.875 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.007 9.021 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.766 11.062 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.989 11.200 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.271 10.637 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.205 12.018 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.298 12.960 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.292 12.927 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.530 11.850 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.229 10.824 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.053 10.652 1.755 1.00 0.00 H new ATOM 597 N GLU A 38 17.279 6.807 0.058 1.00 0.00 N ATOM 598 CA GLU A 38 18.097 6.144 -0.996 1.00 0.00 C ATOM 599 C GLU A 38 17.245 5.906 -2.245 1.00 0.00 C ATOM 600 O GLU A 38 17.665 6.164 -3.356 1.00 0.00 O ATOM 601 CB GLU A 38 18.533 4.815 -0.382 1.00 0.00 C ATOM 602 CG GLU A 38 20.047 4.824 -0.160 1.00 0.00 C ATOM 603 CD GLU A 38 20.386 5.732 1.022 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.486 6.397 1.511 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.539 5.749 1.420 1.00 0.00 O ATOM 0 H GLU A 38 17.044 6.220 0.858 1.00 0.00 H new ATOM 0 HA GLU A 38 18.951 6.748 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.017 4.654 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.257 3.991 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.403 3.812 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.555 5.175 -1.059 1.00 0.00 H new ATOM 612 N GLN A 39 16.049 5.411 -2.068 1.00 0.00 N ATOM 613 CA GLN A 39 15.163 5.151 -3.239 1.00 0.00 C ATOM 614 C GLN A 39 14.663 6.468 -3.841 1.00 0.00 C ATOM 615 O GLN A 39 14.672 6.653 -5.042 1.00 0.00 O ATOM 616 CB GLN A 39 13.994 4.343 -2.677 1.00 0.00 C ATOM 617 CG GLN A 39 14.359 2.857 -2.662 1.00 0.00 C ATOM 618 CD GLN A 39 15.652 2.657 -1.869 1.00 0.00 C ATOM 619 OE1 GLN A 39 16.707 2.470 -2.441 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.614 2.690 -0.565 1.00 0.00 N ATOM 0 H GLN A 39 15.647 5.175 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 39 15.684 4.621 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.757 4.680 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.103 4.503 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.552 2.278 -2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.485 2.492 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.728 2.847 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.470 2.559 -0.026 1.00 0.00 H new ATOM 629 N ILE A 40 14.223 7.382 -3.019 1.00 0.00 N ATOM 630 CA ILE A 40 13.721 8.679 -3.558 1.00 0.00 C ATOM 631 C ILE A 40 14.793 9.325 -4.444 1.00 0.00 C ATOM 632 O ILE A 40 14.496 9.908 -5.469 1.00 0.00 O ATOM 633 CB ILE A 40 13.424 9.551 -2.335 1.00 0.00 C ATOM 634 CG1 ILE A 40 14.733 9.982 -1.672 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.582 8.758 -1.334 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.440 11.055 -0.622 1.00 0.00 C ATOM 0 H ILE A 40 14.189 7.288 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 40 12.831 8.551 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 40 12.875 10.437 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.217 9.124 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.423 10.369 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.371 9.379 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.644 8.460 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.130 7.869 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.372 11.364 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.974 11.916 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.765 10.651 0.133 1.00 0.00 H new ATOM 648 N LYS A 41 16.035 9.227 -4.057 1.00 0.00 N ATOM 649 CA LYS A 41 17.122 9.836 -4.879 1.00 0.00 C ATOM 650 C LYS A 41 17.663 8.819 -5.890 1.00 0.00 C ATOM 651 O LYS A 41 18.081 9.173 -6.973 1.00 0.00 O ATOM 652 CB LYS A 41 18.207 10.223 -3.874 1.00 0.00 C ATOM 653 CG LYS A 41 19.023 11.392 -4.429 1.00 0.00 C ATOM 654 CD LYS A 41 20.430 10.910 -4.787 1.00 0.00 C ATOM 655 CE LYS A 41 21.200 10.582 -3.505 1.00 0.00 C ATOM 656 NZ LYS A 41 21.373 9.102 -3.530 1.00 0.00 N ATOM 0 H LYS A 41 16.345 8.753 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 41 16.772 10.693 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.754 10.501 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.858 9.371 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.533 11.804 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.078 12.193 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.372 10.028 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.956 11.679 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.163 11.092 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.649 10.900 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.696 8.662 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.202 8.749 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.342 8.861 -3.240 1.00 0.00 H new ATOM 670 N LEU A 42 17.671 7.561 -5.534 1.00 0.00 N ATOM 671 CA LEU A 42 18.196 6.513 -6.460 1.00 0.00 C ATOM 672 C LEU A 42 17.938 6.888 -7.923 1.00 0.00 C ATOM 673 O LEU A 42 18.839 7.277 -8.640 1.00 0.00 O ATOM 674 CB LEU A 42 17.433 5.240 -6.094 1.00 0.00 C ATOM 675 CG LEU A 42 18.405 4.062 -6.033 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.554 3.593 -4.585 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.863 2.912 -6.887 1.00 0.00 C ATOM 0 H LEU A 42 17.335 7.212 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 42 19.275 6.393 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.936 5.365 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.655 5.045 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 42 19.377 4.375 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.247 2.753 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.938 4.411 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.583 3.280 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.555 2.070 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.891 2.602 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.758 3.244 -7.920 1.00 0.00 H new ATOM 689 N ASP A 43 16.720 6.768 -8.375 1.00 0.00 N ATOM 690 CA ASP A 43 16.422 7.111 -9.797 1.00 0.00 C ATOM 691 C ASP A 43 15.062 7.804 -9.910 1.00 0.00 C ATOM 692 O ASP A 43 14.036 7.163 -10.022 1.00 0.00 O ATOM 693 CB ASP A 43 16.401 5.770 -10.529 1.00 0.00 C ATOM 694 CG ASP A 43 17.433 5.788 -11.658 1.00 0.00 C ATOM 695 OD1 ASP A 43 18.476 6.393 -11.471 1.00 0.00 O ATOM 696 OD2 ASP A 43 17.164 5.196 -12.690 1.00 0.00 O ATOM 0 H ASP A 43 15.922 6.449 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 43 17.158 7.797 -10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 43 16.622 4.960 -9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.407 5.580 -10.934 1.00 0.00 H new ATOM 701 N GLU A 44 15.049 9.110 -9.885 1.00 0.00 N ATOM 702 CA GLU A 44 13.761 9.860 -9.997 1.00 0.00 C ATOM 703 C GLU A 44 12.973 9.796 -8.685 1.00 0.00 C ATOM 704 O GLU A 44 12.188 10.674 -8.383 1.00 0.00 O ATOM 705 CB GLU A 44 12.985 9.173 -11.122 1.00 0.00 C ATOM 706 CG GLU A 44 12.461 10.228 -12.098 1.00 0.00 C ATOM 707 CD GLU A 44 11.359 9.619 -12.966 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.683 8.802 -13.812 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.210 9.979 -12.769 1.00 0.00 O ATOM 0 H GLU A 44 15.880 9.694 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 44 13.931 10.916 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.630 8.467 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.155 8.600 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.073 11.086 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.274 10.593 -12.726 1.00 0.00 H new ATOM 716 N GLY A 45 13.169 8.773 -7.900 1.00 0.00 N ATOM 717 CA GLY A 45 12.426 8.671 -6.614 1.00 0.00 C ATOM 718 C GLY A 45 11.385 7.554 -6.706 1.00 0.00 C ATOM 719 O GLY A 45 10.853 7.106 -5.712 1.00 0.00 O ATOM 0 H GLY A 45 13.811 8.004 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.119 8.469 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.937 9.619 -6.389 1.00 0.00 H new ATOM 723 N TRP A 46 11.087 7.106 -7.893 1.00 0.00 N ATOM 724 CA TRP A 46 10.076 6.021 -8.047 1.00 0.00 C ATOM 725 C TRP A 46 10.512 4.766 -7.283 1.00 0.00 C ATOM 726 O TRP A 46 11.543 4.185 -7.557 1.00 0.00 O ATOM 727 CB TRP A 46 10.022 5.742 -9.548 1.00 0.00 C ATOM 728 CG TRP A 46 9.252 6.825 -10.233 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.637 7.449 -11.370 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.978 7.422 -9.850 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.683 8.390 -11.710 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.640 8.411 -10.804 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.092 7.205 -8.779 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.465 9.157 -10.699 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.909 7.954 -8.670 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.597 8.928 -9.629 1.00 0.00 C ATOM 0 H TRP A 46 11.499 7.443 -8.763 1.00 0.00 H new ATOM 0 HA TRP A 46 9.103 6.308 -7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.032 5.687 -9.954 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.552 4.776 -9.732 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.542 7.245 -11.922 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.742 8.995 -12.529 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.323 6.457 -8.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.229 9.906 -11.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.236 7.779 -7.843 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.686 9.501 -9.540 1.00 0.00 H new ATOM 747 N VAL A 47 9.724 4.341 -6.333 1.00 0.00 N ATOM 748 CA VAL A 47 10.080 3.117 -5.556 1.00 0.00 C ATOM 749 C VAL A 47 8.990 2.058 -5.732 1.00 0.00 C ATOM 750 O VAL A 47 7.819 2.370 -5.717 1.00 0.00 O ATOM 751 CB VAL A 47 10.159 3.562 -4.092 1.00 0.00 C ATOM 752 CG1 VAL A 47 8.747 3.792 -3.549 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.848 2.469 -3.266 1.00 0.00 C ATOM 0 H VAL A 47 8.849 4.788 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 47 11.021 2.680 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 47 10.729 4.488 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.805 4.108 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.253 4.566 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.176 2.866 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.906 2.783 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 10.275 1.545 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.854 2.302 -3.651 1.00 0.00 H new ATOM 763 N PRO A 48 9.413 0.839 -5.887 1.00 0.00 N ATOM 764 CA PRO A 48 8.471 -0.271 -6.062 1.00 0.00 C ATOM 765 C PRO A 48 8.062 -0.800 -4.691 1.00 0.00 C ATOM 766 O PRO A 48 8.872 -0.931 -3.795 1.00 0.00 O ATOM 767 CB PRO A 48 9.277 -1.307 -6.835 1.00 0.00 C ATOM 768 CG PRO A 48 10.718 -0.987 -6.561 1.00 0.00 C ATOM 769 CD PRO A 48 10.789 0.373 -5.903 1.00 0.00 C ATOM 0 HA PRO A 48 7.553 0.003 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.031 -2.318 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.060 -1.255 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.158 -1.745 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.290 -0.990 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.197 0.306 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.432 1.052 -6.463 1.00 0.00 H new ATOM 777 N LEU A 49 6.812 -1.084 -4.519 1.00 0.00 N ATOM 778 CA LEU A 49 6.333 -1.584 -3.197 1.00 0.00 C ATOM 779 C LEU A 49 7.115 -2.830 -2.763 1.00 0.00 C ATOM 780 O LEU A 49 6.874 -3.379 -1.707 1.00 0.00 O ATOM 781 CB LEU A 49 4.852 -1.922 -3.395 1.00 0.00 C ATOM 782 CG LEU A 49 4.631 -2.533 -4.779 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.701 -3.740 -4.659 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.989 -1.492 -5.698 1.00 0.00 C ATOM 0 H LEU A 49 6.091 -0.994 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 49 6.478 -0.839 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.525 -2.620 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.248 -1.021 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 49 5.588 -2.848 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.543 -4.177 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.152 -4.483 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.744 -3.422 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.831 -1.926 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.031 -1.180 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.647 -0.627 -5.783 1.00 0.00 H new ATOM 796 N GLU A 50 8.063 -3.270 -3.549 1.00 0.00 N ATOM 797 CA GLU A 50 8.855 -4.463 -3.137 1.00 0.00 C ATOM 798 C GLU A 50 9.514 -4.166 -1.795 1.00 0.00 C ATOM 799 O GLU A 50 9.535 -4.980 -0.894 1.00 0.00 O ATOM 800 CB GLU A 50 9.913 -4.653 -4.222 1.00 0.00 C ATOM 801 CG GLU A 50 10.884 -3.475 -4.224 1.00 0.00 C ATOM 802 CD GLU A 50 11.944 -3.696 -5.305 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.595 -4.218 -6.351 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.087 -3.340 -5.068 1.00 0.00 O ATOM 0 H GLU A 50 8.320 -2.860 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 50 8.244 -5.359 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.457 -5.582 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.433 -4.740 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.346 -2.546 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.358 -3.378 -3.247 1.00 0.00 H new ATOM 811 N ILE A 51 10.038 -2.986 -1.664 1.00 0.00 N ATOM 812 CA ILE A 51 10.690 -2.584 -0.388 1.00 0.00 C ATOM 813 C ILE A 51 9.639 -2.467 0.721 1.00 0.00 C ATOM 814 O ILE A 51 9.878 -2.819 1.860 1.00 0.00 O ATOM 815 CB ILE A 51 11.309 -1.216 -0.673 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.300 -1.332 -1.832 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.039 -0.719 0.573 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.763 0.064 -2.248 1.00 0.00 C ATOM 0 H ILE A 51 10.044 -2.273 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 51 11.433 -3.309 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 51 10.522 -0.511 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.156 -1.937 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.831 -1.838 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.481 0.257 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.333 -0.633 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.825 -1.425 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.469 -0.018 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.902 0.654 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.248 0.553 -1.403 1.00 0.00 H new ATOM 830 N MET A 52 8.474 -1.973 0.392 1.00 0.00 N ATOM 831 CA MET A 52 7.403 -1.828 1.422 1.00 0.00 C ATOM 832 C MET A 52 6.739 -3.178 1.715 1.00 0.00 C ATOM 833 O MET A 52 6.470 -3.514 2.851 1.00 0.00 O ATOM 834 CB MET A 52 6.391 -0.865 0.801 1.00 0.00 C ATOM 835 CG MET A 52 6.849 0.577 1.031 1.00 0.00 C ATOM 836 SD MET A 52 6.976 0.892 2.808 1.00 0.00 S ATOM 837 CE MET A 52 7.632 2.573 2.689 1.00 0.00 C ATOM 0 H MET A 52 8.218 -1.664 -0.546 1.00 0.00 H new ATOM 0 HA MET A 52 7.799 -1.463 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.295 -1.061 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.407 -1.020 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.813 0.745 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.142 1.271 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.280 2.772 3.543 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.205 2.676 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.807 3.286 2.685 1.00 0.00 H new ATOM 847 N ILE A 53 6.436 -3.936 0.696 1.00 0.00 N ATOM 848 CA ILE A 53 5.747 -5.242 0.920 1.00 0.00 C ATOM 849 C ILE A 53 6.613 -6.189 1.755 1.00 0.00 C ATOM 850 O ILE A 53 6.108 -6.916 2.587 1.00 0.00 O ATOM 851 CB ILE A 53 5.510 -5.820 -0.474 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.830 -5.863 -1.240 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.514 -4.938 -1.230 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.359 -7.297 -1.266 1.00 0.00 C ATOM 0 H ILE A 53 6.634 -3.710 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 53 4.816 -5.111 1.472 1.00 0.00 H new ATOM 0 HB ILE A 53 5.108 -6.829 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.684 -5.500 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.558 -5.204 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.345 -5.350 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.570 -4.906 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.916 -3.929 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.301 -7.327 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.521 -7.644 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.633 -7.944 -1.758 1.00 0.00 H new ATOM 866 N LYS A 54 7.902 -6.196 1.563 1.00 0.00 N ATOM 867 CA LYS A 54 8.755 -7.109 2.376 1.00 0.00 C ATOM 868 C LYS A 54 9.201 -6.401 3.658 1.00 0.00 C ATOM 869 O LYS A 54 9.697 -7.017 4.580 1.00 0.00 O ATOM 870 CB LYS A 54 9.960 -7.426 1.488 1.00 0.00 C ATOM 871 CG LYS A 54 10.886 -6.208 1.427 1.00 0.00 C ATOM 872 CD LYS A 54 12.086 -6.525 0.532 1.00 0.00 C ATOM 873 CE LYS A 54 13.371 -6.468 1.362 1.00 0.00 C ATOM 874 NZ LYS A 54 14.410 -5.950 0.429 1.00 0.00 N ATOM 0 H LYS A 54 8.399 -5.616 0.886 1.00 0.00 H new ATOM 0 HA LYS A 54 8.227 -8.014 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.500 -8.287 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.626 -7.692 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.345 -5.346 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.225 -5.945 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.971 -7.514 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.139 -5.811 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.254 -5.813 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.639 -7.453 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.321 -5.883 0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.504 -6.597 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.132 -5.008 0.088 1.00 0.00 H new ATOM 888 N PHE A 55 9.025 -5.110 3.721 1.00 0.00 N ATOM 889 CA PHE A 55 9.434 -4.357 4.942 1.00 0.00 C ATOM 890 C PHE A 55 8.634 -4.843 6.153 1.00 0.00 C ATOM 891 O PHE A 55 7.445 -5.078 6.069 1.00 0.00 O ATOM 892 CB PHE A 55 9.109 -2.895 4.632 1.00 0.00 C ATOM 893 CG PHE A 55 10.372 -2.070 4.708 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.318 -2.330 5.707 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.596 -1.045 3.780 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.489 -1.565 5.778 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.766 -0.279 3.852 1.00 0.00 C ATOM 898 CZ PHE A 55 12.712 -0.539 4.850 1.00 0.00 C ATOM 0 H PHE A 55 8.615 -4.543 2.979 1.00 0.00 H new ATOM 0 HA PHE A 55 10.488 -4.496 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.667 -2.812 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.372 -2.517 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.145 -3.120 6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.866 -0.846 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.220 -1.766 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.938 0.512 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.615 0.052 4.905 1.00 0.00 H new ATOM 908 N ASN A 56 9.276 -4.998 7.278 1.00 0.00 N ATOM 909 CA ASN A 56 8.551 -5.471 8.492 1.00 0.00 C ATOM 910 C ASN A 56 7.375 -4.543 8.807 1.00 0.00 C ATOM 911 O ASN A 56 6.434 -4.923 9.476 1.00 0.00 O ATOM 912 CB ASN A 56 9.588 -5.423 9.615 1.00 0.00 C ATOM 913 CG ASN A 56 8.883 -5.548 10.966 1.00 0.00 C ATOM 914 OD1 ASN A 56 8.058 -6.420 11.156 1.00 0.00 O ATOM 915 ND2 ASN A 56 9.174 -4.707 11.921 1.00 0.00 N ATOM 0 H ASN A 56 10.271 -4.818 7.410 1.00 0.00 H new ATOM 0 HA ASN A 56 8.136 -6.470 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.309 -6.231 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.146 -4.488 9.569 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.709 -4.782 12.826 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.866 -3.975 11.762 1.00 0.00 H new ATOM 922 N ARG A 57 7.419 -3.329 8.331 1.00 0.00 N ATOM 923 CA ARG A 57 6.302 -2.380 8.605 1.00 0.00 C ATOM 924 C ARG A 57 5.039 -2.811 7.852 1.00 0.00 C ATOM 925 O ARG A 57 3.948 -2.780 8.384 1.00 0.00 O ATOM 926 CB ARG A 57 6.794 -1.026 8.091 1.00 0.00 C ATOM 927 CG ARG A 57 8.143 -0.696 8.734 1.00 0.00 C ATOM 928 CD ARG A 57 7.966 0.447 9.735 1.00 0.00 C ATOM 929 NE ARG A 57 9.339 0.739 10.231 1.00 0.00 N ATOM 930 CZ ARG A 57 10.194 1.359 9.463 1.00 0.00 C ATOM 931 NH1 ARG A 57 9.845 1.726 8.259 1.00 0.00 N ATOM 932 NH2 ARG A 57 11.397 1.612 9.899 1.00 0.00 N ATOM 0 H ARG A 57 8.179 -2.953 7.765 1.00 0.00 H new ATOM 0 HA ARG A 57 6.044 -2.346 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.893 -1.051 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.067 -0.249 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.542 -1.576 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.864 -0.413 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.523 1.323 9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.304 0.158 10.552 1.00 0.00 H new ATOM 0 HE ARG A 57 9.612 0.454 11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.904 1.528 7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.513 2.210 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.669 1.326 10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.065 2.096 9.300 1.00 0.00 H new ATOM 946 N LEU A 58 5.181 -3.208 6.618 1.00 0.00 N ATOM 947 CA LEU A 58 3.988 -3.637 5.833 1.00 0.00 C ATOM 948 C LEU A 58 3.926 -5.164 5.751 1.00 0.00 C ATOM 949 O LEU A 58 2.863 -5.754 5.758 1.00 0.00 O ATOM 950 CB LEU A 58 4.192 -3.034 4.444 1.00 0.00 C ATOM 951 CG LEU A 58 2.965 -2.207 4.059 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.392 -1.045 3.161 1.00 0.00 C ATOM 953 CD2 LEU A 58 1.971 -3.094 3.305 1.00 0.00 C ATOM 0 H LEU A 58 6.070 -3.254 6.119 1.00 0.00 H new ATOM 0 HA LEU A 58 3.054 -3.307 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.083 -2.406 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.353 -3.826 3.713 1.00 0.00 H new ATOM 0 HG LEU A 58 2.494 -1.814 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.517 -0.456 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.101 -0.413 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.863 -1.436 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.095 -2.506 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.443 -3.485 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.666 -3.923 3.944 1.00 0.00 H new ATOM 965 N ASN A 59 5.057 -5.809 5.670 1.00 0.00 N ATOM 966 CA ASN A 59 5.061 -7.298 5.587 1.00 0.00 C ATOM 967 C ASN A 59 4.302 -7.898 6.773 1.00 0.00 C ATOM 968 O ASN A 59 3.837 -9.020 6.721 1.00 0.00 O ATOM 969 CB ASN A 59 6.537 -7.694 5.635 1.00 0.00 C ATOM 970 CG ASN A 59 6.659 -9.181 5.970 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.614 -10.060 5.006 1.00 0.00 O flip ATOM 972 ND2 ASN A 59 6.796 -9.548 7.120 1.00 0.00 N flip ATOM 0 H ASN A 59 5.978 -5.371 5.658 1.00 0.00 H new ATOM 0 HA ASN A 59 4.572 -7.662 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.011 -7.487 4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.060 -7.098 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.831 -8.862 7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.876 -10.543 7.332 1.00 0.00 H new ATOM 979 N ARG A 60 4.175 -7.161 7.841 1.00 0.00 N ATOM 980 CA ARG A 60 3.447 -7.690 9.030 1.00 0.00 C ATOM 981 C ARG A 60 1.939 -7.716 8.762 1.00 0.00 C ATOM 982 O ARG A 60 1.158 -8.117 9.603 1.00 0.00 O ATOM 983 CB ARG A 60 3.773 -6.714 10.159 1.00 0.00 C ATOM 984 CG ARG A 60 4.882 -7.297 11.037 1.00 0.00 C ATOM 985 CD ARG A 60 4.372 -7.450 12.470 1.00 0.00 C ATOM 986 NE ARG A 60 4.279 -6.060 12.996 1.00 0.00 N ATOM 987 CZ ARG A 60 3.640 -5.823 14.110 1.00 0.00 C ATOM 988 NH1 ARG A 60 3.084 -6.805 14.767 1.00 0.00 N ATOM 989 NH2 ARG A 60 3.559 -4.605 14.569 1.00 0.00 N ATOM 0 H ARG A 60 4.543 -6.215 7.943 1.00 0.00 H new ATOM 0 HA ARG A 60 3.742 -8.710 9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.088 -5.756 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.882 -6.525 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.198 -8.265 10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.755 -6.645 11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.402 -7.946 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.053 -8.054 13.069 1.00 0.00 H new ATOM 0 HE ARG A 60 4.715 -5.292 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.149 -7.758 14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.585 -6.619 15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.995 -3.837 14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.060 -4.420 15.439 1.00 0.00 H new ATOM 1003 N LEU A 61 1.521 -7.290 7.600 1.00 0.00 N ATOM 1004 CA LEU A 61 0.063 -7.292 7.289 1.00 0.00 C ATOM 1005 C LEU A 61 -0.178 -7.787 5.859 1.00 0.00 C ATOM 1006 O LEU A 61 -0.474 -8.942 5.633 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.375 -5.834 7.432 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.305 -5.697 8.639 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.525 -5.991 9.921 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.857 -4.270 8.696 1.00 0.00 C ATOM 0 H LEU A 61 2.124 -6.942 6.855 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.497 -7.954 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.497 -5.192 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.886 -5.506 6.527 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.129 -6.404 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.188 -5.893 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.129 -7.006 9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.299 -5.284 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.520 -4.170 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.032 -3.564 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.413 -4.058 7.783 1.00 0.00 H new ATOM 1022 N THR A 62 -0.057 -6.917 4.892 1.00 0.00 N ATOM 1023 CA THR A 62 -0.283 -7.336 3.478 1.00 0.00 C ATOM 1024 C THR A 62 1.043 -7.363 2.712 1.00 0.00 C ATOM 1025 O THR A 62 1.936 -6.581 2.972 1.00 0.00 O ATOM 1026 CB THR A 62 -1.215 -6.271 2.897 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.516 -6.432 3.447 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.279 -6.421 1.378 1.00 0.00 C ATOM 0 H THR A 62 0.188 -5.935 5.020 1.00 0.00 H new ATOM 0 HA THR A 62 -0.709 -8.337 3.407 1.00 0.00 H new ATOM 0 HB THR A 62 -0.835 -5.280 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.593 -5.899 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.943 -5.662 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.281 -6.297 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.659 -7.411 1.126 1.00 0.00 H new ATOM 1036 N THR A 63 1.179 -8.258 1.771 1.00 0.00 N ATOM 1037 CA THR A 63 2.450 -8.332 0.993 1.00 0.00 C ATOM 1038 C THR A 63 2.171 -8.754 -0.453 1.00 0.00 C ATOM 1039 O THR A 63 3.079 -9.021 -1.216 1.00 0.00 O ATOM 1040 CB THR A 63 3.289 -9.394 1.706 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.432 -10.252 2.447 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.277 -8.714 2.654 1.00 0.00 C ATOM 0 H THR A 63 0.467 -8.940 1.508 1.00 0.00 H new ATOM 0 HA THR A 63 2.958 -7.369 0.947 1.00 0.00 H new ATOM 0 HB THR A 63 3.840 -9.978 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.967 -10.934 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.874 -9.471 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.933 -8.056 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.729 -8.129 3.393 1.00 0.00 H new ATOM 1050 N ASP A 64 0.926 -8.818 -0.839 1.00 0.00 N ATOM 1051 CA ASP A 64 0.600 -9.223 -2.237 1.00 0.00 C ATOM 1052 C ASP A 64 0.668 -8.009 -3.168 1.00 0.00 C ATOM 1053 O ASP A 64 -0.006 -7.020 -2.964 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.826 -9.770 -2.169 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.840 -11.226 -2.639 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.262 -12.054 -1.955 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.429 -11.488 -3.676 1.00 0.00 O ATOM 0 H ASP A 64 0.121 -8.608 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 64 1.300 -9.961 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.204 -9.703 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.487 -9.169 -2.794 1.00 0.00 H new ATOM 1062 N PHE A 65 1.478 -8.077 -4.188 1.00 0.00 N ATOM 1063 CA PHE A 65 1.595 -6.928 -5.133 1.00 0.00 C ATOM 1064 C PHE A 65 0.211 -6.504 -5.638 1.00 0.00 C ATOM 1065 O PHE A 65 -0.111 -5.334 -5.683 1.00 0.00 O ATOM 1066 CB PHE A 65 2.450 -7.456 -6.287 1.00 0.00 C ATOM 1067 CG PHE A 65 3.839 -6.860 -6.215 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.355 -6.412 -4.990 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.614 -6.760 -7.377 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.644 -5.864 -4.934 1.00 0.00 C ATOM 1071 CE2 PHE A 65 5.901 -6.214 -7.318 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.416 -5.766 -6.097 1.00 0.00 C ATOM 0 H PHE A 65 2.066 -8.880 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 65 2.037 -6.050 -4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.509 -8.543 -6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.986 -7.203 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.760 -6.489 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.218 -7.105 -8.321 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.042 -5.517 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.497 -6.138 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.409 -5.345 -6.052 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.610 -7.443 -6.023 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.968 -7.079 -6.523 1.00 0.00 C ATOM 1084 C ASN A 66 -2.852 -6.602 -5.366 1.00 0.00 C ATOM 1085 O ASN A 66 -3.573 -5.631 -5.482 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.525 -8.368 -7.128 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.603 -8.225 -8.650 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.893 -7.160 -9.157 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.352 -9.260 -9.403 1.00 0.00 N ATOM 0 H ASN A 66 -0.402 -8.441 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.935 -6.267 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.888 -9.212 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.514 -8.576 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.399 -9.175 -10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.109 -10.154 -8.976 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.798 -7.275 -4.248 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.632 -6.855 -3.084 1.00 0.00 C ATOM 1098 C VAL A 67 -3.087 -5.552 -2.489 1.00 0.00 C ATOM 1099 O VAL A 67 -3.831 -4.668 -2.115 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.524 -8.005 -2.078 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -2.417 -7.712 -1.061 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.858 -8.162 -1.343 1.00 0.00 C ATOM 0 H VAL A 67 -2.214 -8.096 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.668 -6.663 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.284 -8.925 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.348 -8.536 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.465 -7.601 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.648 -6.790 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.784 -8.980 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.094 -7.238 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.647 -8.381 -2.063 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.790 -5.432 -2.400 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.187 -4.194 -1.829 1.00 0.00 C ATOM 1114 C ILE A 68 -1.423 -3.009 -2.766 1.00 0.00 C ATOM 1115 O ILE A 68 -1.821 -1.940 -2.349 1.00 0.00 O ATOM 1116 CB ILE A 68 0.306 -4.508 -1.723 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.986 -3.469 -0.823 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.944 -4.486 -3.114 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.167 -2.834 -1.561 1.00 0.00 C ATOM 0 H ILE A 68 -1.120 -6.141 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.621 -3.923 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 68 0.434 -5.500 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.269 -2.700 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.332 -3.942 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.007 -4.711 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.464 -5.233 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.816 -3.499 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.645 -2.097 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.888 -3.607 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.809 -2.345 -2.467 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.178 -3.197 -4.030 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.379 -2.090 -5.008 1.00 0.00 C ATOM 1133 C VAL A 69 -2.867 -1.745 -5.127 1.00 0.00 C ATOM 1134 O VAL A 69 -3.235 -0.602 -5.317 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.850 -2.630 -6.336 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.208 -1.658 -7.461 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.671 -2.778 -6.257 1.00 0.00 C ATOM 0 H VAL A 69 -0.845 -4.073 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.866 -1.178 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.301 -3.602 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.831 -2.043 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.291 -1.551 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.758 -0.686 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.049 -3.163 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.121 -1.806 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.928 -3.470 -5.455 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.724 -2.723 -5.023 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.185 -2.446 -5.138 1.00 0.00 C ATOM 1149 C GLU A 70 -5.621 -1.433 -4.076 1.00 0.00 C ATOM 1150 O GLU A 70 -6.430 -0.563 -4.331 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.864 -3.796 -4.900 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.505 -4.281 -6.202 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.165 -5.641 -5.971 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -6.442 -6.618 -5.868 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.382 -5.684 -5.900 1.00 0.00 O ATOM 0 H GLU A 70 -3.477 -3.700 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.447 -2.021 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.134 -4.525 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.622 -3.702 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.246 -3.559 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.750 -4.360 -6.984 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.092 -1.535 -2.888 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.480 -0.574 -1.816 1.00 0.00 C ATOM 1164 C ALA A 71 -4.955 0.827 -2.145 1.00 0.00 C ATOM 1165 O ALA A 71 -5.585 1.820 -1.842 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.825 -1.110 -0.543 1.00 0.00 C ATOM 0 H ALA A 71 -4.409 -2.241 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.562 -0.490 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.065 -0.454 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.198 -2.113 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.744 -1.146 -0.677 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.809 0.915 -2.761 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.252 2.257 -3.104 1.00 0.00 C ATOM 1174 C LEU A 72 -4.081 2.904 -4.218 1.00 0.00 C ATOM 1175 O LEU A 72 -4.180 4.111 -4.309 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.824 1.991 -3.589 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.156 0.939 -2.701 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.364 1.042 -2.845 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.543 1.176 -1.238 1.00 0.00 C ATOM 0 H LEU A 72 -3.235 0.120 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.271 2.937 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.841 1.648 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.246 2.915 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.488 -0.053 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.841 0.293 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.643 0.871 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.692 2.036 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.065 0.425 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.214 2.169 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.625 1.103 -1.132 1.00 0.00 H new ATOM 1191 N SER A 73 -4.674 2.109 -5.066 1.00 0.00 N ATOM 1192 CA SER A 73 -5.492 2.677 -6.175 1.00 0.00 C ATOM 1193 C SER A 73 -6.581 3.597 -5.619 1.00 0.00 C ATOM 1194 O SER A 73 -6.898 4.618 -6.197 1.00 0.00 O ATOM 1195 CB SER A 73 -6.116 1.467 -6.868 1.00 0.00 C ATOM 1196 OG SER A 73 -6.562 1.846 -8.163 1.00 0.00 O ATOM 0 H SER A 73 -4.627 1.090 -5.039 1.00 0.00 H new ATOM 0 HA SER A 73 -4.893 3.277 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.387 0.661 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.951 1.087 -6.280 1.00 0.00 H new ATOM 0 HG SER A 73 -6.961 1.071 -8.611 1.00 0.00 H new ATOM 1301 N MET A 80 2.054 12.116 -1.837 1.00 0.00 N ATOM 1302 CA MET A 80 3.181 11.584 -2.657 1.00 0.00 C ATOM 1303 C MET A 80 2.718 11.360 -4.100 1.00 0.00 C ATOM 1304 O MET A 80 1.709 11.886 -4.527 1.00 0.00 O ATOM 1305 CB MET A 80 3.559 10.256 -2.001 1.00 0.00 C ATOM 1306 CG MET A 80 4.772 10.464 -1.093 1.00 0.00 C ATOM 1307 SD MET A 80 5.922 9.080 -1.292 1.00 0.00 S ATOM 1308 CE MET A 80 4.693 7.753 -1.255 1.00 0.00 C ATOM 0 HA MET A 80 4.026 12.271 -2.695 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.719 9.872 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.786 9.512 -2.765 1.00 0.00 H new ATOM 0 HG2 MET A 80 5.269 11.402 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.453 10.538 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.199 6.788 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.099 7.833 -0.345 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.040 7.838 -2.123 1.00 0.00 H new ATOM 1318 N GLU A 81 3.447 10.584 -4.853 1.00 0.00 N ATOM 1319 CA GLU A 81 3.046 10.329 -6.267 1.00 0.00 C ATOM 1320 C GLU A 81 3.267 8.858 -6.627 1.00 0.00 C ATOM 1321 O GLU A 81 4.166 8.214 -6.124 1.00 0.00 O ATOM 1322 CB GLU A 81 3.958 11.226 -7.105 1.00 0.00 C ATOM 1323 CG GLU A 81 3.138 11.909 -8.200 1.00 0.00 C ATOM 1324 CD GLU A 81 2.342 10.857 -8.975 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.288 10.470 -8.497 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.800 10.456 -10.031 1.00 0.00 O ATOM 0 H GLU A 81 4.302 10.116 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 81 1.991 10.542 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.432 11.975 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.758 10.634 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.461 12.640 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.797 12.453 -8.877 1.00 0.00 H new ATOM 1333 N ILE A 82 2.453 8.322 -7.494 1.00 0.00 N ATOM 1334 CA ILE A 82 2.616 6.894 -7.890 1.00 0.00 C ATOM 1335 C ILE A 82 2.796 6.784 -9.407 1.00 0.00 C ATOM 1336 O ILE A 82 2.198 7.520 -10.166 1.00 0.00 O ATOM 1337 CB ILE A 82 1.322 6.210 -7.451 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.965 6.658 -6.031 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.515 4.692 -7.471 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.173 5.789 -5.491 1.00 0.00 C ATOM 0 H ILE A 82 1.681 8.812 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 82 3.493 6.436 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 82 0.517 6.484 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.838 6.577 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.666 7.706 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.592 4.204 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.771 4.371 -8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.320 4.419 -6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.427 6.108 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.047 5.893 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.143 4.746 -5.473 1.00 0.00 H new ATOM 1352 N SER A 83 3.618 5.874 -9.854 1.00 0.00 N ATOM 1353 CA SER A 83 3.836 5.722 -11.323 1.00 0.00 C ATOM 1354 C SER A 83 2.557 5.223 -12.002 1.00 0.00 C ATOM 1355 O SER A 83 1.625 4.790 -11.354 1.00 0.00 O ATOM 1356 CB SER A 83 4.952 4.689 -11.454 1.00 0.00 C ATOM 1357 OG SER A 83 6.129 5.327 -11.933 1.00 0.00 O ATOM 0 H SER A 83 4.148 5.229 -9.267 1.00 0.00 H new ATOM 0 HA SER A 83 4.098 6.666 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.145 4.221 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.650 3.896 -12.138 1.00 0.00 H new ATOM 0 HG SER A 83 6.517 5.875 -11.220 1.00 0.00 H new ATOM 1363 N GLU A 84 2.507 5.284 -13.304 1.00 0.00 N ATOM 1364 CA GLU A 84 1.291 4.818 -14.030 1.00 0.00 C ATOM 1365 C GLU A 84 1.327 3.300 -14.232 1.00 0.00 C ATOM 1366 O GLU A 84 0.338 2.693 -14.596 1.00 0.00 O ATOM 1367 CB GLU A 84 1.338 5.537 -15.379 1.00 0.00 C ATOM 1368 CG GLU A 84 1.014 7.020 -15.181 1.00 0.00 C ATOM 1369 CD GLU A 84 0.190 7.526 -16.366 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -0.831 6.924 -16.653 1.00 0.00 O ATOM 1371 OE2 GLU A 84 0.594 8.508 -16.967 1.00 0.00 O ATOM 0 H GLU A 84 3.257 5.637 -13.898 1.00 0.00 H new ATOM 0 HA GLU A 84 0.378 5.037 -13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.325 5.427 -15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.623 5.087 -16.068 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.460 7.161 -14.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.935 7.596 -15.093 1.00 0.00 H new ATOM 1378 N ASP A 85 2.454 2.680 -14.011 1.00 0.00 N ATOM 1379 CA ASP A 85 2.535 1.203 -14.208 1.00 0.00 C ATOM 1380 C ASP A 85 1.772 0.471 -13.099 1.00 0.00 C ATOM 1381 O ASP A 85 1.511 -0.712 -13.192 1.00 0.00 O ATOM 1382 CB ASP A 85 4.027 0.875 -14.137 1.00 0.00 C ATOM 1383 CG ASP A 85 4.657 1.059 -15.519 1.00 0.00 C ATOM 1384 OD1 ASP A 85 4.126 0.506 -16.468 1.00 0.00 O ATOM 1385 OD2 ASP A 85 5.658 1.749 -15.605 1.00 0.00 O ATOM 0 H ASP A 85 3.318 3.128 -13.704 1.00 0.00 H new ATOM 0 HA ASP A 85 2.091 0.891 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.519 1.524 -13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.169 -0.150 -13.795 1.00 0.00 H new ATOM 1390 N LYS A 86 1.411 1.164 -12.052 1.00 0.00 N ATOM 1391 CA LYS A 86 0.662 0.505 -10.940 1.00 0.00 C ATOM 1392 C LYS A 86 1.583 -0.442 -10.163 1.00 0.00 C ATOM 1393 O LYS A 86 1.298 -1.614 -10.013 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.459 -0.279 -11.623 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.588 -0.535 -10.623 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.275 0.788 -10.280 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.632 0.806 -8.793 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.248 2.142 -8.563 1.00 0.00 N ATOM 0 H LYS A 86 1.602 2.157 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 86 0.275 1.228 -10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.837 0.279 -12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.075 -1.225 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.311 -1.234 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.190 -0.996 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.617 1.624 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.175 0.910 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.326 0.003 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.747 0.667 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.047 2.454 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.851 2.828 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.277 2.078 -8.700 1.00 0.00 H new ATOM 1412 N THR A 87 2.682 0.058 -9.666 1.00 0.00 N ATOM 1413 CA THR A 87 3.616 -0.817 -8.897 1.00 0.00 C ATOM 1414 C THR A 87 4.806 -0.006 -8.375 1.00 0.00 C ATOM 1415 O THR A 87 5.891 -0.524 -8.198 1.00 0.00 O ATOM 1416 CB THR A 87 4.087 -1.870 -9.900 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.733 -2.928 -9.206 1.00 0.00 O ATOM 1418 CG2 THR A 87 5.064 -1.235 -10.890 1.00 0.00 C ATOM 0 H THR A 87 2.974 1.031 -9.758 1.00 0.00 H new ATOM 0 HA THR A 87 3.135 -1.264 -8.027 1.00 0.00 H new ATOM 0 HB THR A 87 3.228 -2.263 -10.444 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.390 -2.556 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.399 -1.987 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.567 -0.425 -11.423 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.924 -0.840 -10.350 1.00 0.00 H new ATOM 1426 N LYS A 88 4.615 1.260 -8.127 1.00 0.00 N ATOM 1427 CA LYS A 88 5.740 2.096 -7.618 1.00 0.00 C ATOM 1428 C LYS A 88 5.200 3.378 -6.976 1.00 0.00 C ATOM 1429 O LYS A 88 4.121 3.838 -7.294 1.00 0.00 O ATOM 1430 CB LYS A 88 6.585 2.419 -8.851 1.00 0.00 C ATOM 1431 CG LYS A 88 7.832 3.201 -8.436 1.00 0.00 C ATOM 1432 CD LYS A 88 9.058 2.288 -8.527 1.00 0.00 C ATOM 1433 CE LYS A 88 9.618 2.323 -9.950 1.00 0.00 C ATOM 1434 NZ LYS A 88 10.173 0.959 -10.178 1.00 0.00 N ATOM 0 H LYS A 88 3.731 1.752 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 88 6.323 1.584 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.874 1.497 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.999 3.002 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.962 4.069 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.718 3.575 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.819 2.612 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.785 1.268 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.839 2.559 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.390 3.086 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.576 0.904 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.917 0.765 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.414 0.255 -10.081 1.00 0.00 H new ATOM 1448 N ILE A 89 5.950 3.963 -6.084 1.00 0.00 N ATOM 1449 CA ILE A 89 5.498 5.220 -5.426 1.00 0.00 C ATOM 1450 C ILE A 89 6.681 6.185 -5.316 1.00 0.00 C ATOM 1451 O ILE A 89 7.825 5.788 -5.421 1.00 0.00 O ATOM 1452 CB ILE A 89 5.015 4.798 -4.038 1.00 0.00 C ATOM 1453 CG1 ILE A 89 4.262 3.468 -4.138 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.078 5.869 -3.476 1.00 0.00 C ATOM 1455 CD1 ILE A 89 3.847 3.011 -2.739 1.00 0.00 C ATOM 0 H ILE A 89 6.862 3.622 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 89 4.710 5.727 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 89 5.874 4.681 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.382 3.583 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.895 2.714 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.734 5.568 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.611 6.817 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.220 5.986 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.311 2.065 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.735 2.880 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.199 3.762 -2.288 1.00 0.00 H new ATOM 1467 N ARG A 90 6.423 7.446 -5.112 1.00 0.00 N ATOM 1468 CA ARG A 90 7.548 8.418 -5.006 1.00 0.00 C ATOM 1469 C ARG A 90 7.164 9.589 -4.100 1.00 0.00 C ATOM 1470 O ARG A 90 6.002 9.883 -3.905 1.00 0.00 O ATOM 1471 CB ARG A 90 7.787 8.903 -6.437 1.00 0.00 C ATOM 1472 CG ARG A 90 8.670 10.151 -6.414 1.00 0.00 C ATOM 1473 CD ARG A 90 9.155 10.460 -7.833 1.00 0.00 C ATOM 1474 NE ARG A 90 8.042 11.223 -8.461 1.00 0.00 N ATOM 1475 CZ ARG A 90 8.257 11.925 -9.541 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.449 11.955 -10.073 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.280 12.594 -10.089 1.00 0.00 N ATOM 0 H ARG A 90 5.489 7.845 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 90 8.440 7.966 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.265 8.118 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.836 9.127 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.110 10.998 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.522 9.994 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.075 11.044 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.368 9.545 -8.386 1.00 0.00 H new ATOM 0 HE ARG A 90 7.110 11.198 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.212 11.430 -9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.617 12.503 -10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.349 12.569 -9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.448 13.142 -10.933 1.00 0.00 H new ATOM 1491 N ARG A 91 8.137 10.267 -3.555 1.00 0.00 N ATOM 1492 CA ARG A 91 7.837 11.430 -2.673 1.00 0.00 C ATOM 1493 C ARG A 91 7.730 12.698 -3.521 1.00 0.00 C ATOM 1494 O ARG A 91 8.528 12.927 -4.405 1.00 0.00 O ATOM 1495 CB ARG A 91 9.024 11.521 -1.712 1.00 0.00 C ATOM 1496 CG ARG A 91 8.576 12.187 -0.410 1.00 0.00 C ATOM 1497 CD ARG A 91 9.260 13.549 -0.269 1.00 0.00 C ATOM 1498 NE ARG A 91 8.555 14.218 0.860 1.00 0.00 N ATOM 1499 CZ ARG A 91 7.361 14.714 0.684 1.00 0.00 C ATOM 1500 NH1 ARG A 91 6.781 14.621 -0.482 1.00 0.00 N ATOM 1501 NH2 ARG A 91 6.744 15.302 1.673 1.00 0.00 N ATOM 0 H ARG A 91 9.129 10.065 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 91 6.896 11.318 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.417 10.525 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.831 12.095 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.493 12.310 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.827 11.553 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.324 13.437 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.176 14.130 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 91 9.006 14.288 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.261 14.161 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.848 15.009 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.195 15.374 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.811 15.689 1.534 1.00 0.00 H new ATOM 1515 N SER A 92 6.751 13.520 -3.267 1.00 0.00 N ATOM 1516 CA SER A 92 6.602 14.762 -4.072 1.00 0.00 C ATOM 1517 C SER A 92 7.796 15.687 -3.834 1.00 0.00 C ATOM 1518 O SER A 92 7.922 16.282 -2.782 1.00 0.00 O ATOM 1519 CB SER A 92 5.312 15.408 -3.568 1.00 0.00 C ATOM 1520 OG SER A 92 5.137 16.670 -4.200 1.00 0.00 O ATOM 0 H SER A 92 6.050 13.386 -2.539 1.00 0.00 H new ATOM 0 HA SER A 92 6.563 14.561 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.461 14.761 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.354 15.533 -2.486 1.00 0.00 H new ATOM 0 HG SER A 92 4.240 17.012 -4.005 1.00 0.00 H new ATOM 1526 N PRO A 93 8.632 15.782 -4.832 1.00 0.00 N ATOM 1527 CA PRO A 93 9.829 16.652 -4.738 1.00 0.00 C ATOM 1528 C PRO A 93 9.382 18.107 -4.635 1.00 0.00 C ATOM 1529 O PRO A 93 10.105 18.965 -4.169 1.00 0.00 O ATOM 1530 CB PRO A 93 10.567 16.405 -6.053 1.00 0.00 C ATOM 1531 CG PRO A 93 9.533 15.846 -6.978 1.00 0.00 C ATOM 1532 CD PRO A 93 8.542 15.104 -6.126 1.00 0.00 C ATOM 0 HA PRO A 93 10.455 16.444 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.991 17.329 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.393 15.707 -5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.042 16.643 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.989 15.179 -7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.535 15.160 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.795 14.047 -6.044 1.00 0.00 H new ATOM 1540 N SER A 94 8.185 18.383 -5.070 1.00 0.00 N ATOM 1541 CA SER A 94 7.667 19.774 -5.003 1.00 0.00 C ATOM 1542 C SER A 94 7.000 20.018 -3.649 1.00 0.00 C ATOM 1543 O SER A 94 6.501 21.091 -3.380 1.00 0.00 O ATOM 1544 CB SER A 94 6.640 19.867 -6.130 1.00 0.00 C ATOM 1545 OG SER A 94 7.306 19.767 -7.383 1.00 0.00 O ATOM 0 H SER A 94 7.541 17.701 -5.471 1.00 0.00 H new ATOM 0 HA SER A 94 8.457 20.518 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.903 19.070 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.099 20.811 -6.067 1.00 0.00 H new ATOM 0 HG SER A 94 6.649 19.825 -8.108 1.00 0.00 H new ATOM 1551 N LYS A 95 7.000 19.036 -2.784 1.00 0.00 N ATOM 1552 CA LYS A 95 6.377 19.231 -1.443 1.00 0.00 C ATOM 1553 C LYS A 95 7.440 19.054 -0.352 1.00 0.00 C ATOM 1554 O LYS A 95 8.131 18.056 -0.318 1.00 0.00 O ATOM 1555 CB LYS A 95 5.309 18.142 -1.337 1.00 0.00 C ATOM 1556 CG LYS A 95 3.922 18.771 -1.494 1.00 0.00 C ATOM 1557 CD LYS A 95 3.330 19.053 -0.111 1.00 0.00 C ATOM 1558 CE LYS A 95 2.209 20.088 -0.237 1.00 0.00 C ATOM 1559 NZ LYS A 95 2.808 21.363 0.244 1.00 0.00 N ATOM 0 H LYS A 95 7.402 18.113 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 95 5.949 20.226 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.467 17.387 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.384 17.636 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.993 19.696 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.268 18.101 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.942 18.132 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.106 19.421 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.867 20.177 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.343 19.807 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.099 22.122 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.118 21.251 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.626 21.608 -0.350 1.00 0.00 H new ATOM 1573 N PRO A 96 7.539 20.037 0.501 1.00 0.00 N ATOM 1574 CA PRO A 96 8.534 19.995 1.600 1.00 0.00 C ATOM 1575 C PRO A 96 8.169 18.930 2.634 1.00 0.00 C ATOM 1576 O PRO A 96 7.013 18.652 2.881 1.00 0.00 O ATOM 1577 CB PRO A 96 8.468 21.377 2.223 1.00 0.00 C ATOM 1578 CG PRO A 96 7.136 21.933 1.820 1.00 0.00 C ATOM 1579 CD PRO A 96 6.744 21.268 0.524 1.00 0.00 C ATOM 0 HA PRO A 96 9.531 19.742 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.559 21.323 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.282 22.008 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.390 21.740 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.193 23.014 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.676 21.054 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.967 21.903 -0.334 1.00 0.00 H new ATOM 1587 N LEU A 97 9.157 18.358 3.258 1.00 0.00 N ATOM 1588 CA LEU A 97 8.895 17.338 4.305 1.00 0.00 C ATOM 1589 C LEU A 97 9.537 17.797 5.609 1.00 0.00 C ATOM 1590 O LEU A 97 10.730 17.996 5.699 1.00 0.00 O ATOM 1591 CB LEU A 97 9.459 16.006 3.782 1.00 0.00 C ATOM 1592 CG LEU A 97 10.878 15.718 4.302 1.00 0.00 C ATOM 1593 CD1 LEU A 97 11.811 16.891 3.999 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.836 15.452 5.810 1.00 0.00 C ATOM 0 H LEU A 97 10.143 18.556 3.086 1.00 0.00 H new ATOM 0 HA LEU A 97 7.834 17.204 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.796 15.194 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.472 16.025 2.692 1.00 0.00 H new ATOM 0 HG LEU A 97 11.263 14.834 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.810 16.668 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.856 17.051 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.433 17.791 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.844 15.249 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.436 16.327 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.198 14.591 6.010 1.00 0.00 H new