USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 931 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 81 ASN : amide:sc= 0.722 K(o=1.6,f=-1.1) USER MOD Set 1.2: A 98 ASN : amide:sc= 0.889 K(o=1.6,f=-1.8) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -136:sc= 0.386 (180deg=-0.394) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.232 (180deg=0.173) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 41:sc= 0.0419 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 76:sc= 0.0223 USER MOD Single : A 87 THR OG1 : rot -22:sc= 0.0815 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -178:sc= -0.294 (180deg=-0.311) USER MOD Single : A 93 GLN : amide:sc= 0.959 K(o=0.96,f=-0.18) USER MOD Single : A 95 TYR OH : rot -2:sc= 0.229 USER MOD Single : A 99 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.25) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0162 USER MOD Single : A 109 TYR OH : rot -78:sc= 0.175 USER MOD Single : A 110 SER OG : rot -105:sc= 1.29 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : B 732 TYR OH : rot -3:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -10.101 13.419 4.353 1.00 0.00 N ATOM 198 CA HIS A 9 -11.275 14.269 4.548 1.00 0.00 C ATOM 199 C HIS A 9 -12.519 13.588 3.973 1.00 0.00 C ATOM 200 O HIS A 9 -13.433 13.329 4.754 1.00 0.00 O ATOM 201 CB HIS A 9 -11.034 15.703 4.070 1.00 0.00 C ATOM 202 CG HIS A 9 -10.285 16.521 5.093 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.361 16.058 6.008 1.00 0.00 N ATOM 204 CD2 HIS A 9 -10.478 17.852 5.340 1.00 0.00 C ATOM 205 CE1 HIS A 9 -9.001 17.096 6.778 1.00 0.00 C ATOM 206 NE2 HIS A 9 -9.643 18.215 6.401 1.00 0.00 N ATOM 0 HA HIS A 9 -11.466 14.385 5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.470 15.684 3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.991 16.179 3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.155 18.506 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.292 17.040 7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.541 19.145 6.808 1.00 0.00 H new ATOM 214 N PRO A 10 -12.593 13.245 2.673 1.00 0.00 N ATOM 215 CA PRO A 10 -13.740 12.546 2.101 1.00 0.00 C ATOM 216 C PRO A 10 -13.690 11.048 2.483 1.00 0.00 C ATOM 217 O PRO A 10 -13.695 10.164 1.620 1.00 0.00 O ATOM 218 CB PRO A 10 -13.636 12.820 0.604 1.00 0.00 C ATOM 219 CG PRO A 10 -12.135 12.883 0.359 1.00 0.00 C ATOM 220 CD PRO A 10 -11.609 13.528 1.636 1.00 0.00 C ATOM 0 HA PRO A 10 -14.706 12.884 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.106 12.030 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.127 13.754 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.709 11.892 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.894 13.477 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.634 13.121 1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.481 14.602 1.505 1.00 0.00 H new ATOM 228 N PHE A 11 -13.709 10.770 3.788 1.00 0.00 N ATOM 229 CA PHE A 11 -13.674 9.474 4.458 1.00 0.00 C ATOM 230 C PHE A 11 -14.730 8.525 3.883 1.00 0.00 C ATOM 231 O PHE A 11 -14.520 7.321 3.788 1.00 0.00 O ATOM 232 CB PHE A 11 -13.924 9.754 5.955 1.00 0.00 C ATOM 233 CG PHE A 11 -14.315 8.547 6.782 1.00 0.00 C ATOM 234 CD1 PHE A 11 -15.645 8.085 6.767 1.00 0.00 C ATOM 235 CD2 PHE A 11 -13.341 7.835 7.498 1.00 0.00 C ATOM 236 CE1 PHE A 11 -15.975 6.865 7.376 1.00 0.00 C ATOM 237 CE2 PHE A 11 -13.671 6.628 8.127 1.00 0.00 C ATOM 238 CZ PHE A 11 -14.973 6.119 8.017 1.00 0.00 C ATOM 0 H PHE A 11 -13.754 11.528 4.470 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.714 8.980 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.021 10.190 6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.711 10.503 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -16.413 8.672 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.334 8.219 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.992 6.502 7.352 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.925 6.091 8.695 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.206 5.148 8.428 1.00 0.00 H new ATOM 248 N GLU A 12 -15.862 9.072 3.436 1.00 0.00 N ATOM 249 CA GLU A 12 -16.970 8.331 2.854 1.00 0.00 C ATOM 250 C GLU A 12 -16.494 7.381 1.742 1.00 0.00 C ATOM 251 O GLU A 12 -16.922 6.226 1.706 1.00 0.00 O ATOM 252 CB GLU A 12 -18.038 9.339 2.383 1.00 0.00 C ATOM 253 CG GLU A 12 -17.548 10.276 1.261 1.00 0.00 C ATOM 254 CD GLU A 12 -18.426 11.509 1.082 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.588 11.367 0.639 1.00 0.00 O ATOM 256 OE2 GLU A 12 -17.969 12.639 1.382 1.00 0.00 O ATOM 0 H GLU A 12 -16.033 10.077 3.473 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.422 7.681 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.913 8.792 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.358 9.941 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.528 10.593 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.515 9.722 0.323 1.00 0.00 H new ATOM 263 N TYR A 13 -15.606 7.842 0.850 1.00 0.00 N ATOM 264 CA TYR A 13 -15.089 7.018 -0.238 1.00 0.00 C ATOM 265 C TYR A 13 -14.198 5.922 0.327 1.00 0.00 C ATOM 266 O TYR A 13 -14.268 4.789 -0.144 1.00 0.00 O ATOM 267 CB TYR A 13 -14.267 7.824 -1.265 1.00 0.00 C ATOM 268 CG TYR A 13 -14.996 8.892 -2.062 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.428 10.062 -1.419 1.00 0.00 C ATOM 270 CD2 TYR A 13 -15.233 8.734 -3.443 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.142 11.045 -2.116 1.00 0.00 C ATOM 272 CE2 TYR A 13 -15.961 9.711 -4.151 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.419 10.871 -3.485 1.00 0.00 C ATOM 274 OH TYR A 13 -17.156 11.803 -4.146 1.00 0.00 O ATOM 0 H TYR A 13 -15.232 8.791 0.866 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.957 6.602 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.443 8.303 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.826 7.120 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.207 10.207 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.856 7.863 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.479 11.934 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.169 9.574 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.257 11.536 -5.084 1.00 0.00 H new ATOM 284 N ARG A 14 -13.346 6.248 1.305 1.00 0.00 N ATOM 285 CA ARG A 14 -12.453 5.259 1.884 1.00 0.00 C ATOM 286 C ARG A 14 -13.257 4.152 2.553 1.00 0.00 C ATOM 287 O ARG A 14 -13.003 2.985 2.240 1.00 0.00 O ATOM 288 CB ARG A 14 -11.471 5.934 2.864 1.00 0.00 C ATOM 289 CG ARG A 14 -10.341 6.731 2.191 1.00 0.00 C ATOM 290 CD ARG A 14 -9.057 5.912 1.941 1.00 0.00 C ATOM 291 NE ARG A 14 -8.628 5.983 0.534 1.00 0.00 N ATOM 292 CZ ARG A 14 -9.178 5.341 -0.500 1.00 0.00 C ATOM 293 NH1 ARG A 14 -9.969 4.291 -0.350 1.00 0.00 N ATOM 294 NH2 ARG A 14 -8.923 5.782 -1.721 1.00 0.00 N ATOM 0 H ARG A 14 -13.262 7.183 1.704 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.860 4.801 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.032 6.604 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.028 5.167 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.702 7.120 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.096 7.591 2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.258 6.283 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.230 4.872 2.216 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.830 6.584 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.180 3.941 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.367 3.831 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.319 6.593 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.330 5.311 -2.529 1.00 0.00 H new ATOM 308 N LYS A 15 -14.322 4.449 3.300 1.00 0.00 N ATOM 309 CA LYS A 15 -15.063 3.356 3.927 1.00 0.00 C ATOM 310 C LYS A 15 -15.778 2.510 2.883 1.00 0.00 C ATOM 311 O LYS A 15 -15.768 1.281 2.971 1.00 0.00 O ATOM 312 CB LYS A 15 -16.026 3.848 5.011 1.00 0.00 C ATOM 313 CG LYS A 15 -16.269 2.720 6.040 1.00 0.00 C ATOM 314 CD LYS A 15 -17.747 2.555 6.397 1.00 0.00 C ATOM 315 CE LYS A 15 -18.338 3.754 7.147 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.676 3.994 8.448 1.00 0.00 N ATOM 0 H LYS A 15 -14.677 5.388 3.480 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.332 2.722 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.612 4.725 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.971 4.153 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.889 1.780 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.702 2.932 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.317 2.394 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.866 1.661 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.247 4.646 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.403 3.587 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.396 4.188 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.129 3.152 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.037 4.810 8.367 1.00 0.00 H new ATOM 330 N LYS A 16 -16.425 3.153 1.908 1.00 0.00 N ATOM 331 CA LYS A 16 -17.155 2.458 0.852 1.00 0.00 C ATOM 332 C LYS A 16 -16.227 1.549 0.055 1.00 0.00 C ATOM 333 O LYS A 16 -16.561 0.375 -0.117 1.00 0.00 O ATOM 334 CB LYS A 16 -17.867 3.469 -0.055 1.00 0.00 C ATOM 335 CG LYS A 16 -19.108 4.052 0.644 1.00 0.00 C ATOM 336 CD LYS A 16 -19.574 5.367 0.015 1.00 0.00 C ATOM 337 CE LYS A 16 -20.009 5.217 -1.442 1.00 0.00 C ATOM 338 NZ LYS A 16 -20.159 6.553 -2.042 1.00 0.00 N ATOM 0 H LYS A 16 -16.456 4.170 1.831 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.913 1.824 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.181 4.274 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.162 2.984 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.919 3.325 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.883 4.217 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.405 5.766 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.766 6.096 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.271 4.637 -1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.951 4.672 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.455 6.457 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.878 7.091 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.250 7.057 -1.999 1.00 0.00 H new ATOM 352 N GLU A 17 -15.084 2.051 -0.413 1.00 0.00 N ATOM 353 CA GLU A 17 -14.151 1.245 -1.187 1.00 0.00 C ATOM 354 C GLU A 17 -13.620 0.092 -0.342 1.00 0.00 C ATOM 355 O GLU A 17 -13.601 -1.046 -0.811 1.00 0.00 O ATOM 356 CB GLU A 17 -12.972 2.084 -1.702 1.00 0.00 C ATOM 357 CG GLU A 17 -13.352 3.007 -2.866 1.00 0.00 C ATOM 358 CD GLU A 17 -12.113 3.598 -3.545 1.00 0.00 C ATOM 359 OE1 GLU A 17 -11.142 3.999 -2.865 1.00 0.00 O ATOM 360 OE2 GLU A 17 -12.054 3.590 -4.802 1.00 0.00 O ATOM 0 H GLU A 17 -14.785 3.015 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.695 0.852 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.577 2.686 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.172 1.417 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.937 2.449 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.986 3.814 -2.499 1.00 0.00 H new ATOM 367 N GLY A 18 -13.224 0.359 0.903 1.00 0.00 N ATOM 368 CA GLY A 18 -12.689 -0.659 1.788 1.00 0.00 C ATOM 369 C GLY A 18 -13.676 -1.777 2.034 1.00 0.00 C ATOM 370 O GLY A 18 -13.337 -2.948 1.890 1.00 0.00 O ATOM 0 H GLY A 18 -13.268 1.289 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.777 -1.070 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.414 -0.203 2.739 1.00 0.00 H new ATOM 374 N GLU A 19 -14.920 -1.431 2.340 1.00 0.00 N ATOM 375 CA GLU A 19 -15.984 -2.384 2.592 1.00 0.00 C ATOM 376 C GLU A 19 -16.252 -3.218 1.337 1.00 0.00 C ATOM 377 O GLU A 19 -16.486 -4.436 1.411 1.00 0.00 O ATOM 378 CB GLU A 19 -17.207 -1.561 2.998 1.00 0.00 C ATOM 379 CG GLU A 19 -18.508 -2.352 3.059 1.00 0.00 C ATOM 380 CD GLU A 19 -19.574 -1.457 3.683 1.00 0.00 C ATOM 381 OE1 GLU A 19 -20.247 -0.696 2.955 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.736 -1.515 4.926 1.00 0.00 O ATOM 0 H GLU A 19 -15.220 -0.459 2.421 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.722 -3.089 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.021 -1.115 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.328 -0.740 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.811 -2.666 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.376 -3.258 3.651 1.00 0.00 H new ATOM 389 N LYS A 20 -16.197 -2.568 0.169 1.00 0.00 N ATOM 390 CA LYS A 20 -16.445 -3.240 -1.089 1.00 0.00 C ATOM 391 C LYS A 20 -15.332 -4.239 -1.379 1.00 0.00 C ATOM 392 O LYS A 20 -15.626 -5.392 -1.698 1.00 0.00 O ATOM 393 CB LYS A 20 -16.595 -2.195 -2.211 1.00 0.00 C ATOM 394 CG LYS A 20 -17.233 -2.720 -3.507 1.00 0.00 C ATOM 395 CD LYS A 20 -18.755 -2.923 -3.406 1.00 0.00 C ATOM 396 CE LYS A 20 -19.128 -4.315 -2.872 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.586 -4.514 -2.767 1.00 0.00 N ATOM 0 H LYS A 20 -15.982 -1.575 0.080 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.376 -3.803 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.197 -1.367 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.610 -1.792 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.021 -2.021 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.765 -3.668 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.177 -2.161 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.203 -2.782 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.708 -5.076 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.675 -4.456 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.781 -5.468 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.987 -3.807 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.019 -4.407 -3.706 1.00 0.00 H new ATOM 411 N ILE A 21 -14.067 -3.843 -1.224 1.00 0.00 N ATOM 412 CA ILE A 21 -12.956 -4.744 -1.491 1.00 0.00 C ATOM 413 C ILE A 21 -12.854 -5.804 -0.394 1.00 0.00 C ATOM 414 O ILE A 21 -12.540 -6.941 -0.724 1.00 0.00 O ATOM 415 CB ILE A 21 -11.649 -3.931 -1.651 1.00 0.00 C ATOM 416 CG1 ILE A 21 -11.698 -2.971 -2.864 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.409 -4.834 -1.770 1.00 0.00 C ATOM 418 CD1 ILE A 21 -12.049 -3.606 -4.216 1.00 0.00 C ATOM 0 H ILE A 21 -13.793 -2.910 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.130 -5.274 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.564 -3.339 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.427 -2.189 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.727 -2.485 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.518 -4.216 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.317 -5.446 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.512 -5.481 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.053 -2.837 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.308 -4.366 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.035 -4.066 -4.157 1.00 0.00 H new ATOM 430 N ARG A 22 -13.253 -5.522 0.851 1.00 0.00 N ATOM 431 CA ARG A 22 -13.186 -6.498 1.936 1.00 0.00 C ATOM 432 C ARG A 22 -14.105 -7.660 1.618 1.00 0.00 C ATOM 433 O ARG A 22 -13.675 -8.806 1.633 1.00 0.00 O ATOM 434 CB ARG A 22 -13.541 -5.831 3.284 1.00 0.00 C ATOM 435 CG ARG A 22 -13.556 -6.772 4.505 1.00 0.00 C ATOM 436 CD ARG A 22 -12.227 -7.517 4.651 1.00 0.00 C ATOM 437 NE ARG A 22 -12.056 -8.148 5.966 1.00 0.00 N ATOM 438 CZ ARG A 22 -11.025 -8.913 6.345 1.00 0.00 C ATOM 439 NH1 ARG A 22 -10.059 -9.228 5.491 1.00 0.00 N ATOM 440 NH2 ARG A 22 -10.982 -9.362 7.591 1.00 0.00 N ATOM 0 H ARG A 22 -13.629 -4.616 1.130 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.170 -6.881 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.826 -5.030 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.523 -5.367 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.753 -6.195 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.369 -7.491 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.160 -8.282 3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.407 -6.819 4.481 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.791 -7.988 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.096 -8.886 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.280 -9.812 5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.727 -9.124 8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.203 -9.946 7.896 1.00 0.00 H new ATOM 454 N LYS A 23 -15.369 -7.388 1.278 1.00 0.00 N ATOM 455 CA LYS A 23 -16.273 -8.501 0.980 1.00 0.00 C ATOM 456 C LYS A 23 -16.028 -9.119 -0.394 1.00 0.00 C ATOM 457 O LYS A 23 -16.384 -10.278 -0.602 1.00 0.00 O ATOM 458 CB LYS A 23 -17.734 -8.072 1.129 1.00 0.00 C ATOM 459 CG LYS A 23 -18.019 -7.579 2.556 1.00 0.00 C ATOM 460 CD LYS A 23 -19.509 -7.334 2.762 1.00 0.00 C ATOM 461 CE LYS A 23 -19.764 -6.624 4.092 1.00 0.00 C ATOM 462 NZ LYS A 23 -21.122 -6.049 4.127 1.00 0.00 N ATOM 0 H LYS A 23 -15.774 -6.455 1.204 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.056 -9.278 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.959 -7.280 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.389 -8.910 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.665 -8.316 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.466 -6.659 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.900 -6.731 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.044 -8.283 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.641 -7.328 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.026 -5.835 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.274 -5.572 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.228 -5.361 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.824 -6.808 4.013 1.00 0.00 H new ATOM 476 N LYS A 24 -15.471 -8.389 -1.368 1.00 0.00 N ATOM 477 CA LYS A 24 -15.232 -8.969 -2.693 1.00 0.00 C ATOM 478 C LYS A 24 -13.960 -9.821 -2.681 1.00 0.00 C ATOM 479 O LYS A 24 -14.003 -10.950 -3.165 1.00 0.00 O ATOM 480 CB LYS A 24 -15.314 -7.879 -3.774 1.00 0.00 C ATOM 481 CG LYS A 24 -15.717 -8.447 -5.148 1.00 0.00 C ATOM 482 CD LYS A 24 -14.515 -9.053 -5.867 1.00 0.00 C ATOM 483 CE LYS A 24 -14.769 -9.492 -7.309 1.00 0.00 C ATOM 484 NZ LYS A 24 -15.690 -10.645 -7.377 1.00 0.00 N ATOM 0 H LYS A 24 -15.183 -7.416 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.020 -9.672 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.037 -7.123 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.348 -7.381 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.488 -9.207 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.149 -7.655 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.705 -8.323 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.169 -9.916 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.187 -8.659 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.822 -9.755 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.838 -10.913 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.280 -11.448 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.602 -10.387 -6.949 1.00 0.00 H new ATOM 498 N TYR A 25 -12.866 -9.340 -2.095 1.00 0.00 N ATOM 499 CA TYR A 25 -11.587 -10.036 -1.999 1.00 0.00 C ATOM 500 C TYR A 25 -11.239 -10.183 -0.507 1.00 0.00 C ATOM 501 O TYR A 25 -10.321 -9.522 -0.029 1.00 0.00 O ATOM 502 CB TYR A 25 -10.509 -9.255 -2.783 1.00 0.00 C ATOM 503 CG TYR A 25 -10.792 -8.959 -4.249 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.295 -9.964 -5.091 1.00 0.00 C ATOM 505 CD2 TYR A 25 -10.510 -7.690 -4.791 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.501 -9.721 -6.456 1.00 0.00 C ATOM 507 CE2 TYR A 25 -10.769 -7.414 -6.146 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.266 -8.436 -6.985 1.00 0.00 C ATOM 509 OH TYR A 25 -11.553 -8.189 -8.286 1.00 0.00 O ATOM 0 H TYR A 25 -12.846 -8.419 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.640 -11.030 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.342 -8.306 -2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.577 -9.817 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.526 -10.936 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.090 -6.921 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.839 -10.518 -7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.589 -6.426 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.336 -7.257 -8.498 1.00 0.00 H new ATOM 519 N PRO A 26 -11.917 -11.063 0.251 1.00 0.00 N ATOM 520 CA PRO A 26 -11.661 -11.231 1.684 1.00 0.00 C ATOM 521 C PRO A 26 -10.294 -11.826 2.043 1.00 0.00 C ATOM 522 O PRO A 26 -9.881 -11.718 3.195 1.00 0.00 O ATOM 523 CB PRO A 26 -12.809 -12.114 2.189 1.00 0.00 C ATOM 524 CG PRO A 26 -13.222 -12.913 0.959 1.00 0.00 C ATOM 525 CD PRO A 26 -13.016 -11.918 -0.175 1.00 0.00 C ATOM 0 HA PRO A 26 -11.624 -10.252 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.485 -12.767 3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.635 -11.515 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.608 -13.805 0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.258 -13.246 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.776 -12.430 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.919 -11.335 -0.355 1.00 0.00 H new ATOM 533 N ASP A 27 -9.584 -12.417 1.083 1.00 0.00 N ATOM 534 CA ASP A 27 -8.270 -13.059 1.249 1.00 0.00 C ATOM 535 C ASP A 27 -7.129 -12.130 0.796 1.00 0.00 C ATOM 536 O ASP A 27 -5.962 -12.536 0.691 1.00 0.00 O ATOM 537 CB ASP A 27 -8.220 -14.373 0.432 1.00 0.00 C ATOM 538 CG ASP A 27 -9.577 -15.046 0.229 1.00 0.00 C ATOM 539 OD1 ASP A 27 -10.081 -15.720 1.154 1.00 0.00 O ATOM 540 OD2 ASP A 27 -10.168 -14.838 -0.858 1.00 0.00 O ATOM 0 H ASP A 27 -9.920 -12.466 0.121 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.135 -13.275 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.784 -14.162 -0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.553 -15.073 0.935 1.00 0.00 H new ATOM 545 N ARG A 28 -7.462 -10.887 0.436 1.00 0.00 N ATOM 546 CA ARG A 28 -6.535 -9.875 -0.048 1.00 0.00 C ATOM 547 C ARG A 28 -6.862 -8.539 0.598 1.00 0.00 C ATOM 548 O ARG A 28 -7.954 -8.368 1.135 1.00 0.00 O ATOM 549 CB ARG A 28 -6.585 -9.817 -1.583 1.00 0.00 C ATOM 550 CG ARG A 28 -6.307 -11.171 -2.267 1.00 0.00 C ATOM 551 CD ARG A 28 -6.440 -11.123 -3.787 1.00 0.00 C ATOM 552 NE ARG A 28 -7.739 -11.614 -4.259 1.00 0.00 N ATOM 553 CZ ARG A 28 -8.166 -11.568 -5.524 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.502 -10.897 -6.455 1.00 0.00 N ATOM 555 NH2 ARG A 28 -9.270 -12.217 -5.855 1.00 0.00 N ATOM 0 H ARG A 28 -8.424 -10.551 0.478 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.513 -10.131 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.567 -9.460 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.855 -9.087 -1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.301 -11.500 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.997 -11.917 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.299 -10.097 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.646 -11.720 -4.236 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.366 -12.023 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.645 -10.401 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.849 -10.877 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.783 -12.744 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.608 -12.191 -6.817 1.00 0.00 H new ATOM 569 N VAL A 29 -5.928 -7.595 0.592 1.00 0.00 N ATOM 570 CA VAL A 29 -6.106 -6.286 1.197 1.00 0.00 C ATOM 571 C VAL A 29 -5.587 -5.169 0.276 1.00 0.00 C ATOM 572 O VAL A 29 -4.499 -5.295 -0.300 1.00 0.00 O ATOM 573 CB VAL A 29 -5.432 -6.255 2.590 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.357 -6.866 3.651 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.080 -6.987 2.660 1.00 0.00 C ATOM 0 H VAL A 29 -5.013 -7.722 0.159 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.172 -6.102 1.334 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.243 -5.199 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.866 -6.835 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.286 -6.297 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.578 -7.901 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.679 -6.915 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.220 -8.036 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.382 -6.529 1.960 1.00 0.00 H new ATOM 585 N PRO A 30 -6.373 -4.096 0.069 1.00 0.00 N ATOM 586 CA PRO A 30 -5.982 -2.954 -0.750 1.00 0.00 C ATOM 587 C PRO A 30 -4.959 -2.139 0.057 1.00 0.00 C ATOM 588 O PRO A 30 -5.121 -1.937 1.267 1.00 0.00 O ATOM 589 CB PRO A 30 -7.271 -2.178 -1.015 1.00 0.00 C ATOM 590 CG PRO A 30 -8.108 -2.471 0.228 1.00 0.00 C ATOM 591 CD PRO A 30 -7.673 -3.857 0.678 1.00 0.00 C ATOM 0 HA PRO A 30 -5.518 -3.220 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.083 -1.111 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.767 -2.517 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.931 -1.729 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.174 -2.446 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.609 -3.910 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.394 -4.612 0.364 1.00 0.00 H new ATOM 599 N VAL A 31 -3.904 -1.661 -0.600 1.00 0.00 N ATOM 600 CA VAL A 31 -2.846 -0.904 0.047 1.00 0.00 C ATOM 601 C VAL A 31 -2.443 0.305 -0.793 1.00 0.00 C ATOM 602 O VAL A 31 -2.403 0.225 -2.022 1.00 0.00 O ATOM 603 CB VAL A 31 -1.658 -1.866 0.296 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.368 -1.185 0.781 1.00 0.00 C ATOM 605 CG2 VAL A 31 -2.003 -2.969 1.309 1.00 0.00 C ATOM 0 H VAL A 31 -3.763 -1.791 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.192 -0.504 1.000 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.473 -2.287 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.407 -1.937 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.036 -0.462 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.560 -0.672 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.138 -3.617 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.275 -2.516 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.841 -3.558 0.935 1.00 0.00 H new ATOM 615 N ILE A 32 -2.134 1.429 -0.142 1.00 0.00 N ATOM 616 CA ILE A 32 -1.698 2.645 -0.830 1.00 0.00 C ATOM 617 C ILE A 32 -0.210 2.811 -0.528 1.00 0.00 C ATOM 618 O ILE A 32 0.225 2.683 0.619 1.00 0.00 O ATOM 619 CB ILE A 32 -2.501 3.924 -0.496 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.005 3.742 -0.204 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.376 4.872 -1.705 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.290 3.280 1.227 1.00 0.00 C ATOM 0 H ILE A 32 -2.179 1.521 0.873 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.888 2.519 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.072 4.302 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.520 4.686 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.419 3.015 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.931 5.789 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.326 5.112 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.782 4.386 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.366 3.171 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.802 2.321 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.905 4.018 1.931 1.00 0.00 H new ATOM 634 N VAL A 33 0.571 3.074 -1.571 1.00 0.00 N ATOM 635 CA VAL A 33 2.012 3.254 -1.516 1.00 0.00 C ATOM 636 C VAL A 33 2.320 4.748 -1.440 1.00 0.00 C ATOM 637 O VAL A 33 2.022 5.500 -2.366 1.00 0.00 O ATOM 638 CB VAL A 33 2.601 2.543 -2.751 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.077 2.841 -3.026 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.448 1.030 -2.542 1.00 0.00 C ATOM 0 H VAL A 33 0.198 3.171 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 33 2.470 2.813 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 33 2.051 2.919 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.399 2.296 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.208 3.911 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.677 2.529 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.857 0.501 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.986 0.731 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.392 0.783 -2.433 1.00 0.00 H new ATOM 650 N GLU A 34 2.984 5.179 -0.375 1.00 0.00 N ATOM 651 CA GLU A 34 3.367 6.552 -0.096 1.00 0.00 C ATOM 652 C GLU A 34 4.898 6.628 -0.113 1.00 0.00 C ATOM 653 O GLU A 34 5.578 5.616 0.062 1.00 0.00 O ATOM 654 CB GLU A 34 2.733 6.916 1.254 1.00 0.00 C ATOM 655 CG GLU A 34 2.703 8.418 1.548 1.00 0.00 C ATOM 656 CD GLU A 34 1.502 8.735 2.443 1.00 0.00 C ATOM 657 OE1 GLU A 34 1.604 8.593 3.687 1.00 0.00 O ATOM 658 OE2 GLU A 34 0.423 9.041 1.879 1.00 0.00 O ATOM 0 H GLU A 34 3.286 4.539 0.359 1.00 0.00 H new ATOM 0 HA GLU A 34 3.015 7.272 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.713 6.532 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.283 6.412 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.627 8.723 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.636 8.981 0.617 1.00 0.00 H new ATOM 665 N LYS A 35 5.458 7.802 -0.406 1.00 0.00 N ATOM 666 CA LYS A 35 6.904 8.006 -0.474 1.00 0.00 C ATOM 667 C LYS A 35 7.346 8.931 0.645 1.00 0.00 C ATOM 668 O LYS A 35 6.638 9.885 0.967 1.00 0.00 O ATOM 669 CB LYS A 35 7.352 8.444 -1.881 1.00 0.00 C ATOM 670 CG LYS A 35 6.979 9.876 -2.307 1.00 0.00 C ATOM 671 CD LYS A 35 7.989 10.955 -1.882 1.00 0.00 C ATOM 672 CE LYS A 35 9.367 10.840 -2.550 1.00 0.00 C ATOM 673 NZ LYS A 35 9.398 11.489 -3.877 1.00 0.00 N ATOM 0 H LYS A 35 4.917 8.643 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 35 7.416 7.058 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.436 8.342 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.926 7.751 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.874 9.902 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.004 10.124 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.570 11.935 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.119 10.907 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.120 11.295 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.632 9.788 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.385 11.629 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.912 10.885 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.918 12.410 -3.824 1.00 0.00 H new ATOM 687 N ALA A 36 8.492 8.629 1.241 1.00 0.00 N ATOM 688 CA ALA A 36 9.079 9.408 2.315 1.00 0.00 C ATOM 689 C ALA A 36 10.011 10.459 1.691 1.00 0.00 C ATOM 690 O ALA A 36 10.415 10.329 0.530 1.00 0.00 O ATOM 691 CB ALA A 36 9.856 8.429 3.201 1.00 0.00 C ATOM 0 H ALA A 36 9.050 7.815 0.982 1.00 0.00 H new ATOM 0 HA ALA A 36 8.331 9.927 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.317 8.972 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.174 7.677 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.631 7.940 2.610 1.00 0.00 H new ATOM 697 N PRO A 37 10.366 11.512 2.442 1.00 0.00 N ATOM 698 CA PRO A 37 11.237 12.570 1.958 1.00 0.00 C ATOM 699 C PRO A 37 12.670 12.061 1.763 1.00 0.00 C ATOM 700 O PRO A 37 13.032 10.988 2.259 1.00 0.00 O ATOM 701 CB PRO A 37 11.151 13.670 3.017 1.00 0.00 C ATOM 702 CG PRO A 37 10.704 12.971 4.296 1.00 0.00 C ATOM 703 CD PRO A 37 9.946 11.757 3.808 1.00 0.00 C ATOM 0 HA PRO A 37 10.933 12.941 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.115 14.159 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.440 14.443 2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.556 12.687 4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.071 13.618 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.158 10.892 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.871 11.930 3.855 1.00 0.00 H new ATOM 711 N LYS A 38 13.506 12.849 1.071 1.00 0.00 N ATOM 712 CA LYS A 38 14.920 12.548 0.770 1.00 0.00 C ATOM 713 C LYS A 38 15.102 11.216 0.020 1.00 0.00 C ATOM 714 O LYS A 38 16.228 10.724 -0.076 1.00 0.00 O ATOM 715 CB LYS A 38 15.799 12.651 2.045 1.00 0.00 C ATOM 716 CG LYS A 38 16.226 14.072 2.450 1.00 0.00 C ATOM 717 CD LYS A 38 15.049 15.047 2.553 1.00 0.00 C ATOM 718 CE LYS A 38 15.396 16.364 3.236 1.00 0.00 C ATOM 719 NZ LYS A 38 15.520 16.239 4.701 1.00 0.00 N ATOM 0 H LYS A 38 13.208 13.747 0.690 1.00 0.00 H new ATOM 0 HA LYS A 38 15.271 13.313 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.254 12.205 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.697 12.051 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.741 14.031 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.942 14.452 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.675 15.256 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.239 14.567 3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.334 16.742 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.627 17.101 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.757 17.166 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.619 15.905 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.272 15.558 4.929 1.00 0.00 H new ATOM 733 N ALA A 39 14.033 10.648 -0.552 1.00 0.00 N ATOM 734 CA ALA A 39 14.104 9.387 -1.278 1.00 0.00 C ATOM 735 C ALA A 39 15.059 9.494 -2.455 1.00 0.00 C ATOM 736 O ALA A 39 15.287 10.586 -2.987 1.00 0.00 O ATOM 737 CB ALA A 39 12.710 8.973 -1.775 1.00 0.00 C ATOM 0 H ALA A 39 13.098 11.054 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 39 14.478 8.626 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.782 8.029 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.041 8.854 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.317 9.742 -2.440 1.00 0.00 H new ATOM 743 N ARG A 40 15.553 8.340 -2.900 1.00 0.00 N ATOM 744 CA ARG A 40 16.470 8.232 -4.026 1.00 0.00 C ATOM 745 C ARG A 40 15.986 7.137 -4.976 1.00 0.00 C ATOM 746 O ARG A 40 16.753 6.269 -5.375 1.00 0.00 O ATOM 747 CB ARG A 40 17.903 8.072 -3.486 1.00 0.00 C ATOM 748 CG ARG A 40 18.985 8.612 -4.440 1.00 0.00 C ATOM 749 CD ARG A 40 19.438 7.647 -5.540 1.00 0.00 C ATOM 750 NE ARG A 40 20.042 6.428 -4.975 1.00 0.00 N ATOM 751 CZ ARG A 40 21.279 6.243 -4.502 1.00 0.00 C ATOM 752 NH1 ARG A 40 22.248 7.133 -4.680 1.00 0.00 N ATOM 753 NH2 ARG A 40 21.510 5.136 -3.808 1.00 0.00 N ATOM 0 H ARG A 40 15.321 7.440 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 40 16.489 9.136 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.982 8.590 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.094 7.016 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.609 9.520 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.856 8.896 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.585 7.377 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 40 20.160 8.145 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 40 19.432 5.611 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 40 22.061 7.994 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 40 23.179 6.955 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.758 4.465 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.440 4.956 -3.429 1.00 0.00 H new ATOM 767 N VAL A 41 14.679 7.057 -5.210 1.00 0.00 N ATOM 768 CA VAL A 41 14.060 6.090 -6.113 1.00 0.00 C ATOM 769 C VAL A 41 13.017 6.836 -6.965 1.00 0.00 C ATOM 770 O VAL A 41 12.525 7.876 -6.516 1.00 0.00 O ATOM 771 CB VAL A 41 13.471 4.893 -5.338 1.00 0.00 C ATOM 772 CG1 VAL A 41 14.557 4.018 -4.693 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.463 5.328 -4.269 1.00 0.00 C ATOM 0 H VAL A 41 14.003 7.679 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 41 14.806 5.655 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 41 12.947 4.297 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.089 3.190 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.215 3.625 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.139 4.617 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.078 4.449 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.955 5.984 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.638 5.861 -4.742 1.00 0.00 H new ATOM 783 N PRO A 42 12.643 6.349 -8.158 1.00 0.00 N ATOM 784 CA PRO A 42 11.660 7.016 -9.001 1.00 0.00 C ATOM 785 C PRO A 42 10.225 6.794 -8.520 1.00 0.00 C ATOM 786 O PRO A 42 9.904 5.756 -7.930 1.00 0.00 O ATOM 787 CB PRO A 42 11.879 6.405 -10.386 1.00 0.00 C ATOM 788 CG PRO A 42 12.309 4.972 -10.072 1.00 0.00 C ATOM 789 CD PRO A 42 13.144 5.148 -8.807 1.00 0.00 C ATOM 0 HA PRO A 42 11.790 8.098 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.969 6.430 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.645 6.942 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.453 4.319 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.890 4.535 -10.884 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.047 4.282 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.202 5.248 -9.049 1.00 0.00 H new ATOM 797 N ASP A 43 9.366 7.778 -8.790 1.00 0.00 N ATOM 798 CA ASP A 43 7.945 7.748 -8.439 1.00 0.00 C ATOM 799 C ASP A 43 7.171 7.181 -9.641 1.00 0.00 C ATOM 800 O ASP A 43 7.628 7.334 -10.781 1.00 0.00 O ATOM 801 CB ASP A 43 7.415 9.152 -8.094 1.00 0.00 C ATOM 802 CG ASP A 43 7.863 9.675 -6.727 1.00 0.00 C ATOM 803 OD1 ASP A 43 7.688 8.989 -5.697 1.00 0.00 O ATOM 804 OD2 ASP A 43 8.407 10.803 -6.646 1.00 0.00 O ATOM 0 H ASP A 43 9.644 8.635 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 43 7.809 7.124 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.744 9.851 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.326 9.134 -8.124 1.00 0.00 H new ATOM 809 N LEU A 44 5.993 6.573 -9.436 1.00 0.00 N ATOM 810 CA LEU A 44 5.172 5.983 -10.502 1.00 0.00 C ATOM 811 C LEU A 44 3.755 6.573 -10.541 1.00 0.00 C ATOM 812 O LEU A 44 3.171 6.898 -9.508 1.00 0.00 O ATOM 813 CB LEU A 44 5.060 4.450 -10.342 1.00 0.00 C ATOM 814 CG LEU A 44 6.335 3.625 -10.627 1.00 0.00 C ATOM 815 CD1 LEU A 44 7.234 3.464 -9.396 1.00 0.00 C ATOM 816 CD2 LEU A 44 5.939 2.215 -11.091 1.00 0.00 C ATOM 0 H LEU A 44 5.578 6.476 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 44 5.680 6.223 -11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.739 4.237 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.271 4.096 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 44 6.889 4.170 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.112 2.875 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.548 4.447 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.681 2.955 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.838 1.632 -11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.356 1.725 -10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.341 2.285 -12.000 1.00 0.00 H new ATOM 828 N ASP A 45 3.139 6.553 -11.730 1.00 0.00 N ATOM 829 CA ASP A 45 1.779 7.032 -12.064 1.00 0.00 C ATOM 830 C ASP A 45 0.679 6.124 -11.479 1.00 0.00 C ATOM 831 O ASP A 45 -0.462 6.081 -11.952 1.00 0.00 O ATOM 832 CB ASP A 45 1.595 7.059 -13.591 1.00 0.00 C ATOM 833 CG ASP A 45 2.431 8.119 -14.281 1.00 0.00 C ATOM 834 OD1 ASP A 45 2.174 9.317 -14.041 1.00 0.00 O ATOM 835 OD2 ASP A 45 3.300 7.729 -15.095 1.00 0.00 O ATOM 0 H ASP A 45 3.610 6.173 -12.551 1.00 0.00 H new ATOM 0 HA ASP A 45 1.684 8.028 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.854 6.081 -13.998 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.543 7.231 -13.820 1.00 0.00 H new ATOM 840 N LYS A 46 1.018 5.311 -10.487 1.00 0.00 N ATOM 841 CA LYS A 46 0.141 4.370 -9.827 1.00 0.00 C ATOM 842 C LYS A 46 0.525 4.356 -8.359 1.00 0.00 C ATOM 843 O LYS A 46 1.695 4.178 -8.024 1.00 0.00 O ATOM 844 CB LYS A 46 0.247 3.001 -10.525 1.00 0.00 C ATOM 845 CG LYS A 46 1.673 2.561 -10.933 1.00 0.00 C ATOM 846 CD LYS A 46 1.670 1.346 -11.870 1.00 0.00 C ATOM 847 CE LYS A 46 1.339 1.772 -13.309 1.00 0.00 C ATOM 848 NZ LYS A 46 2.539 1.780 -14.172 1.00 0.00 N ATOM 0 H LYS A 46 1.964 5.294 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.910 4.650 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.171 2.243 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.376 3.021 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.179 3.392 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.246 2.323 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.644 0.858 -11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.939 0.615 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.596 1.093 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.892 2.766 -13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.273 2.073 -15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.238 2.447 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.951 0.826 -14.202 1.00 0.00 H new ATOM 862 N ARG A 47 -0.463 4.548 -7.486 1.00 0.00 N ATOM 863 CA ARG A 47 -0.287 4.584 -6.033 1.00 0.00 C ATOM 864 C ARG A 47 -1.209 3.596 -5.320 1.00 0.00 C ATOM 865 O ARG A 47 -0.839 3.082 -4.267 1.00 0.00 O ATOM 866 CB ARG A 47 -0.530 6.019 -5.540 1.00 0.00 C ATOM 867 CG ARG A 47 0.569 7.029 -5.912 1.00 0.00 C ATOM 868 CD ARG A 47 1.735 6.901 -4.936 1.00 0.00 C ATOM 869 NE ARG A 47 2.897 7.715 -5.307 1.00 0.00 N ATOM 870 CZ ARG A 47 4.071 7.704 -4.677 1.00 0.00 C ATOM 871 NH1 ARG A 47 4.255 6.970 -3.579 1.00 0.00 N ATOM 872 NH2 ARG A 47 5.052 8.412 -5.217 1.00 0.00 N ATOM 0 H ARG A 47 -1.431 4.686 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 47 0.733 4.280 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.478 6.371 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.634 6.002 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.913 6.849 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.169 8.043 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.400 7.192 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.037 5.855 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 47 2.799 8.337 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.490 6.405 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.160 6.973 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.890 8.934 -6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.969 8.435 -4.772 1.00 0.00 H new ATOM 886 N LYS A 48 -2.400 3.328 -5.867 1.00 0.00 N ATOM 887 CA LYS A 48 -3.359 2.387 -5.298 1.00 0.00 C ATOM 888 C LYS A 48 -2.944 0.993 -5.773 1.00 0.00 C ATOM 889 O LYS A 48 -2.853 0.753 -6.981 1.00 0.00 O ATOM 890 CB LYS A 48 -4.798 2.795 -5.687 1.00 0.00 C ATOM 891 CG LYS A 48 -5.065 2.989 -7.200 1.00 0.00 C ATOM 892 CD LYS A 48 -6.313 3.837 -7.509 1.00 0.00 C ATOM 893 CE LYS A 48 -5.997 5.341 -7.451 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.155 6.186 -7.819 1.00 0.00 N ATOM 0 H LYS A 48 -2.725 3.767 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.356 2.389 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.483 2.035 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.042 3.725 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.195 3.462 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.177 2.011 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.693 3.581 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.101 3.601 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.670 5.600 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.166 5.559 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.885 7.189 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.454 5.962 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.941 6.002 -7.164 1.00 0.00 H new ATOM 908 N TYR A 49 -2.714 0.079 -4.835 1.00 0.00 N ATOM 909 CA TYR A 49 -2.284 -1.287 -5.088 1.00 0.00 C ATOM 910 C TYR A 49 -3.091 -2.285 -4.251 1.00 0.00 C ATOM 911 O TYR A 49 -3.903 -1.904 -3.409 1.00 0.00 O ATOM 912 CB TYR A 49 -0.769 -1.405 -4.808 1.00 0.00 C ATOM 913 CG TYR A 49 0.140 -1.040 -5.972 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.391 0.304 -6.302 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.762 -2.058 -6.720 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.206 0.627 -7.403 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.600 -1.748 -7.804 1.00 0.00 C ATOM 918 CZ TYR A 49 1.802 -0.399 -8.168 1.00 0.00 C ATOM 919 OH TYR A 49 2.607 -0.086 -9.214 1.00 0.00 O ATOM 0 H TYR A 49 -2.827 0.280 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.467 -1.533 -6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.522 -0.764 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.551 -2.430 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.044 1.093 -5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.592 -3.092 -6.457 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.376 1.661 -7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.087 -2.538 -8.356 1.00 0.00 H new ATOM 0 HH TYR A 49 2.936 -0.909 -9.632 1.00 0.00 H new ATOM 929 N LEU A 50 -2.909 -3.585 -4.495 1.00 0.00 N ATOM 930 CA LEU A 50 -3.584 -4.669 -3.784 1.00 0.00 C ATOM 931 C LEU A 50 -2.603 -5.837 -3.618 1.00 0.00 C ATOM 932 O LEU A 50 -1.854 -6.139 -4.551 1.00 0.00 O ATOM 933 CB LEU A 50 -4.868 -5.017 -4.553 1.00 0.00 C ATOM 934 CG LEU A 50 -5.824 -5.937 -3.771 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.283 -5.531 -4.009 1.00 0.00 C ATOM 936 CD2 LEU A 50 -5.643 -7.400 -4.171 1.00 0.00 C ATOM 0 H LEU A 50 -2.268 -3.920 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.889 -4.387 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.391 -4.095 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.599 -5.500 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.581 -5.828 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.941 -6.194 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.434 -4.504 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.513 -5.606 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.333 -8.021 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.848 -7.514 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.619 -7.710 -3.963 1.00 0.00 H new ATOM 948 N VAL A 51 -2.594 -6.476 -2.444 1.00 0.00 N ATOM 949 CA VAL A 51 -1.724 -7.603 -2.076 1.00 0.00 C ATOM 950 C VAL A 51 -2.523 -8.638 -1.264 1.00 0.00 C ATOM 951 O VAL A 51 -3.521 -8.264 -0.649 1.00 0.00 O ATOM 952 CB VAL A 51 -0.531 -7.088 -1.225 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.584 -6.497 -2.089 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.919 -6.029 -0.180 1.00 0.00 C ATOM 0 H VAL A 51 -3.223 -6.210 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.347 -8.072 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.181 -7.980 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.395 -6.151 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.960 -7.260 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.193 -5.658 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.031 -5.721 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.352 -5.164 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.649 -6.450 0.512 1.00 0.00 H new ATOM 964 N PRO A 52 -2.135 -9.926 -1.236 1.00 0.00 N ATOM 965 CA PRO A 52 -2.842 -10.942 -0.461 1.00 0.00 C ATOM 966 C PRO A 52 -2.485 -10.809 1.026 1.00 0.00 C ATOM 967 O PRO A 52 -1.411 -10.306 1.361 1.00 0.00 O ATOM 968 CB PRO A 52 -2.383 -12.273 -1.047 1.00 0.00 C ATOM 969 CG PRO A 52 -0.947 -11.973 -1.448 1.00 0.00 C ATOM 970 CD PRO A 52 -0.993 -10.517 -1.918 1.00 0.00 C ATOM 0 HA PRO A 52 -3.926 -10.846 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.441 -13.080 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.990 -12.572 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.263 -12.101 -0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.606 -12.638 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.071 -9.994 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.108 -10.457 -3.000 1.00 0.00 H new ATOM 978 N SER A 53 -3.342 -11.287 1.934 1.00 0.00 N ATOM 979 CA SER A 53 -3.059 -11.193 3.374 1.00 0.00 C ATOM 980 C SER A 53 -2.028 -12.234 3.862 1.00 0.00 C ATOM 981 O SER A 53 -1.600 -12.177 5.013 1.00 0.00 O ATOM 982 CB SER A 53 -4.374 -11.279 4.176 1.00 0.00 C ATOM 983 OG SER A 53 -5.349 -12.087 3.539 1.00 0.00 O ATOM 0 H SER A 53 -4.227 -11.738 1.704 1.00 0.00 H new ATOM 0 HA SER A 53 -2.597 -10.221 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.165 -11.682 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.775 -10.275 4.318 1.00 0.00 H new ATOM 0 HG SER A 53 -4.919 -12.882 3.161 1.00 0.00 H new ATOM 989 N ASP A 54 -1.551 -13.130 2.996 1.00 0.00 N ATOM 990 CA ASP A 54 -0.606 -14.197 3.347 1.00 0.00 C ATOM 991 C ASP A 54 0.845 -13.953 2.920 1.00 0.00 C ATOM 992 O ASP A 54 1.735 -14.701 3.328 1.00 0.00 O ATOM 993 CB ASP A 54 -1.065 -15.493 2.664 1.00 0.00 C ATOM 994 CG ASP A 54 -2.562 -15.740 2.763 1.00 0.00 C ATOM 995 OD1 ASP A 54 -3.056 -16.260 3.783 1.00 0.00 O ATOM 996 OD2 ASP A 54 -3.276 -15.337 1.813 1.00 0.00 O ATOM 0 H ASP A 54 -1.815 -13.136 2.011 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.611 -14.244 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.780 -15.459 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.537 -16.335 3.111 1.00 0.00 H new ATOM 1001 N LEU A 55 1.099 -12.953 2.069 1.00 0.00 N ATOM 1002 CA LEU A 55 2.446 -12.654 1.581 1.00 0.00 C ATOM 1003 C LEU A 55 3.274 -11.956 2.650 1.00 0.00 C ATOM 1004 O LEU A 55 2.754 -11.104 3.378 1.00 0.00 O ATOM 1005 CB LEU A 55 2.340 -11.785 0.317 1.00 0.00 C ATOM 1006 CG LEU A 55 3.648 -11.503 -0.447 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.272 -12.785 -1.009 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.357 -10.559 -1.616 1.00 0.00 C ATOM 0 H LEU A 55 0.379 -12.331 1.701 1.00 0.00 H new ATOM 0 HA LEU A 55 2.953 -13.588 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.644 -12.268 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.899 -10.829 0.599 1.00 0.00 H new ATOM 0 HG LEU A 55 4.349 -11.056 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.192 -12.540 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.497 -13.469 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.572 -13.259 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.280 -10.357 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.635 -11.023 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.948 -9.623 -1.235 1.00 0.00 H new ATOM 1020 N THR A 56 4.546 -12.337 2.788 1.00 0.00 N ATOM 1021 CA THR A 56 5.421 -11.692 3.752 1.00 0.00 C ATOM 1022 C THR A 56 5.806 -10.340 3.153 1.00 0.00 C ATOM 1023 O THR A 56 5.936 -10.190 1.933 1.00 0.00 O ATOM 1024 CB THR A 56 6.624 -12.567 4.128 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.195 -13.156 2.981 1.00 0.00 O ATOM 1026 CG2 THR A 56 6.180 -13.677 5.079 1.00 0.00 C ATOM 0 H THR A 56 4.984 -13.083 2.247 1.00 0.00 H new ATOM 0 HA THR A 56 4.912 -11.540 4.704 1.00 0.00 H new ATOM 0 HB THR A 56 7.366 -11.931 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.961 -13.708 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.038 -14.295 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.760 -13.235 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.425 -14.294 4.591 1.00 0.00 H new ATOM 1034 N VAL A 57 6.017 -9.334 3.996 1.00 0.00 N ATOM 1035 CA VAL A 57 6.360 -8.007 3.511 1.00 0.00 C ATOM 1036 C VAL A 57 7.659 -8.011 2.695 1.00 0.00 C ATOM 1037 O VAL A 57 7.709 -7.397 1.630 1.00 0.00 O ATOM 1038 CB VAL A 57 6.287 -6.987 4.655 1.00 0.00 C ATOM 1039 CG1 VAL A 57 4.925 -7.054 5.360 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.396 -7.127 5.696 1.00 0.00 C ATOM 0 H VAL A 57 5.956 -9.414 5.011 1.00 0.00 H new ATOM 0 HA VAL A 57 5.615 -7.676 2.787 1.00 0.00 H new ATOM 0 HB VAL A 57 6.425 -6.018 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.897 -6.322 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.133 -6.835 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.777 -8.053 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.269 -6.368 6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.347 -8.117 6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.365 -6.996 5.215 1.00 0.00 H new ATOM 1050 N GLY A 58 8.669 -8.786 3.110 1.00 0.00 N ATOM 1051 CA GLY A 58 9.938 -8.872 2.404 1.00 0.00 C ATOM 1052 C GLY A 58 9.771 -9.277 0.942 1.00 0.00 C ATOM 1053 O GLY A 58 10.403 -8.667 0.083 1.00 0.00 O ATOM 0 H GLY A 58 8.622 -9.368 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.443 -7.908 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.580 -9.595 2.906 1.00 0.00 H new ATOM 1057 N GLN A 59 8.933 -10.274 0.635 1.00 0.00 N ATOM 1058 CA GLN A 59 8.719 -10.722 -0.741 1.00 0.00 C ATOM 1059 C GLN A 59 8.205 -9.571 -1.611 1.00 0.00 C ATOM 1060 O GLN A 59 8.711 -9.347 -2.717 1.00 0.00 O ATOM 1061 CB GLN A 59 7.760 -11.920 -0.759 1.00 0.00 C ATOM 1062 CG GLN A 59 8.421 -13.209 -0.255 1.00 0.00 C ATOM 1063 CD GLN A 59 7.920 -14.432 -1.010 1.00 0.00 C ATOM 1064 OE1 GLN A 59 8.471 -14.765 -2.058 1.00 0.00 O ATOM 1065 NE2 GLN A 59 6.906 -15.120 -0.520 1.00 0.00 N ATOM 0 H GLN A 59 8.389 -10.788 1.329 1.00 0.00 H new ATOM 0 HA GLN A 59 9.670 -11.046 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.891 -11.695 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.396 -12.075 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.502 -13.131 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.218 -13.330 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.464 -14.826 0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.565 -15.946 -1.012 1.00 0.00 H new ATOM 1074 N PHE A 60 7.220 -8.828 -1.105 1.00 0.00 N ATOM 1075 CA PHE A 60 6.651 -7.686 -1.805 1.00 0.00 C ATOM 1076 C PHE A 60 7.753 -6.645 -2.033 1.00 0.00 C ATOM 1077 O PHE A 60 7.882 -6.116 -3.142 1.00 0.00 O ATOM 1078 CB PHE A 60 5.469 -7.140 -0.997 1.00 0.00 C ATOM 1079 CG PHE A 60 5.150 -5.676 -1.223 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.778 -5.206 -2.494 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.272 -4.770 -0.156 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.547 -3.835 -2.691 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.008 -3.406 -0.346 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.660 -2.929 -1.620 1.00 0.00 C ATOM 0 H PHE A 60 6.796 -9.006 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 60 6.266 -7.971 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.584 -7.729 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.674 -7.291 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.670 -5.897 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.572 -5.127 0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.280 -3.473 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.072 -2.722 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.481 -1.876 -1.777 1.00 0.00 H new ATOM 1094 N TYR A 61 8.594 -6.389 -1.020 1.00 0.00 N ATOM 1095 CA TYR A 61 9.683 -5.427 -1.144 1.00 0.00 C ATOM 1096 C TYR A 61 10.624 -5.854 -2.271 1.00 0.00 C ATOM 1097 O TYR A 61 11.106 -5.002 -3.016 1.00 0.00 O ATOM 1098 CB TYR A 61 10.465 -5.246 0.170 1.00 0.00 C ATOM 1099 CG TYR A 61 9.681 -4.829 1.404 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.407 -4.234 1.306 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.261 -5.012 2.676 1.00 0.00 C ATOM 1102 CE1 TYR A 61 7.694 -3.891 2.465 1.00 0.00 C ATOM 1103 CE2 TYR A 61 9.568 -4.639 3.840 1.00 0.00 C ATOM 1104 CZ TYR A 61 8.273 -4.091 3.735 1.00 0.00 C ATOM 1105 OH TYR A 61 7.576 -3.745 4.850 1.00 0.00 O ATOM 0 H TYR A 61 8.535 -6.839 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 61 9.240 -4.460 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.968 -6.187 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.242 -4.502 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.977 -4.041 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.248 -5.443 2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.701 -3.474 2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.025 -4.771 4.810 1.00 0.00 H new ATOM 0 HH TYR A 61 8.111 -3.946 5.646 1.00 0.00 H new ATOM 1115 N PHE A 62 10.900 -7.152 -2.429 1.00 0.00 N ATOM 1116 CA PHE A 62 11.769 -7.642 -3.493 1.00 0.00 C ATOM 1117 C PHE A 62 11.140 -7.382 -4.865 1.00 0.00 C ATOM 1118 O PHE A 62 11.863 -6.964 -5.778 1.00 0.00 O ATOM 1119 CB PHE A 62 12.186 -9.095 -3.235 1.00 0.00 C ATOM 1120 CG PHE A 62 13.166 -9.197 -2.075 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.380 -8.480 -2.100 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.828 -9.930 -0.925 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.221 -8.460 -0.975 1.00 0.00 C ATOM 1124 CE2 PHE A 62 13.645 -9.874 0.217 1.00 0.00 C ATOM 1125 CZ PHE A 62 14.842 -9.139 0.194 1.00 0.00 C ATOM 0 H PHE A 62 10.528 -7.885 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 62 12.703 -7.080 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.302 -9.695 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.641 -9.509 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.666 -7.942 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.936 -10.539 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.158 -7.923 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.352 -10.398 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.469 -9.096 1.073 1.00 0.00 H new ATOM 1135 N LEU A 63 9.816 -7.541 -5.012 1.00 0.00 N ATOM 1136 CA LEU A 63 9.152 -7.270 -6.294 1.00 0.00 C ATOM 1137 C LEU A 63 9.341 -5.799 -6.664 1.00 0.00 C ATOM 1138 O LEU A 63 9.747 -5.485 -7.783 1.00 0.00 O ATOM 1139 CB LEU A 63 7.645 -7.584 -6.267 1.00 0.00 C ATOM 1140 CG LEU A 63 7.299 -9.051 -5.993 1.00 0.00 C ATOM 1141 CD1 LEU A 63 5.787 -9.252 -6.069 1.00 0.00 C ATOM 1142 CD2 LEU A 63 7.978 -10.002 -6.977 1.00 0.00 C ATOM 0 H LEU A 63 9.191 -7.852 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 63 9.612 -7.925 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.173 -6.965 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.211 -7.296 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 63 7.665 -9.284 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.549 -10.297 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.298 -8.623 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.433 -8.979 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.701 -11.029 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.659 -9.765 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.060 -9.892 -6.902 1.00 0.00 H new ATOM 1154 N ILE A 64 9.063 -4.894 -5.723 1.00 0.00 N ATOM 1155 CA ILE A 64 9.205 -3.452 -5.909 1.00 0.00 C ATOM 1156 C ILE A 64 10.672 -3.135 -6.217 1.00 0.00 C ATOM 1157 O ILE A 64 10.921 -2.443 -7.199 1.00 0.00 O ATOM 1158 CB ILE A 64 8.649 -2.726 -4.669 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.116 -2.844 -4.554 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.082 -1.254 -4.591 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.315 -2.128 -5.648 1.00 0.00 C ATOM 0 H ILE A 64 8.727 -5.149 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 64 8.625 -3.093 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 64 9.090 -3.241 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.849 -3.901 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.810 -2.448 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.659 -0.797 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.170 -1.196 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.725 -0.723 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.249 -2.274 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.543 -1.062 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.582 -2.538 -6.622 1.00 0.00 H new ATOM 1173 N ARG A 65 11.644 -3.665 -5.457 1.00 0.00 N ATOM 1174 CA ARG A 65 13.083 -3.437 -5.677 1.00 0.00 C ATOM 1175 C ARG A 65 13.425 -3.719 -7.142 1.00 0.00 C ATOM 1176 O ARG A 65 14.161 -2.952 -7.767 1.00 0.00 O ATOM 1177 CB ARG A 65 13.927 -4.306 -4.714 1.00 0.00 C ATOM 1178 CG ARG A 65 13.972 -3.721 -3.290 1.00 0.00 C ATOM 1179 CD ARG A 65 14.354 -4.711 -2.181 1.00 0.00 C ATOM 1180 NE ARG A 65 15.807 -4.958 -2.091 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.497 -5.121 -0.950 1.00 0.00 C ATOM 1182 NH1 ARG A 65 15.890 -5.125 0.231 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.811 -5.299 -0.981 1.00 0.00 N ATOM 0 H ARG A 65 11.450 -4.273 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 65 13.323 -2.396 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.512 -5.313 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.942 -4.393 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.684 -2.896 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.993 -3.301 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.998 -4.329 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.842 -5.657 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 65 16.329 -5.009 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.879 -5.003 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.435 -5.251 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.303 -5.313 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.330 -5.422 -0.111 1.00 0.00 H new ATOM 1197 N LYS A 66 12.906 -4.824 -7.688 1.00 0.00 N ATOM 1198 CA LYS A 66 13.121 -5.210 -9.078 1.00 0.00 C ATOM 1199 C LYS A 66 12.429 -4.227 -10.027 1.00 0.00 C ATOM 1200 O LYS A 66 13.072 -3.708 -10.940 1.00 0.00 O ATOM 1201 CB LYS A 66 12.611 -6.648 -9.283 1.00 0.00 C ATOM 1202 CG LYS A 66 12.930 -7.183 -10.688 1.00 0.00 C ATOM 1203 CD LYS A 66 12.593 -8.673 -10.831 1.00 0.00 C ATOM 1204 CE LYS A 66 11.088 -8.967 -10.855 1.00 0.00 C ATOM 1205 NZ LYS A 66 10.419 -8.518 -12.096 1.00 0.00 N ATOM 0 H LYS A 66 12.320 -5.478 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 66 14.186 -5.178 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.062 -7.301 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.533 -6.676 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.369 -6.613 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.988 -7.029 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.042 -9.051 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.048 -9.220 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.933 -10.039 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.617 -8.480 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.406 -8.747 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.537 -7.490 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.843 -9.001 -12.913 1.00 0.00 H new ATOM 1219 N ARG A 67 11.149 -3.917 -9.792 1.00 0.00 N ATOM 1220 CA ARG A 67 10.355 -3.021 -10.637 1.00 0.00 C ATOM 1221 C ARG A 67 10.922 -1.607 -10.704 1.00 0.00 C ATOM 1222 O ARG A 67 10.890 -1.017 -11.778 1.00 0.00 O ATOM 1223 CB ARG A 67 8.897 -2.993 -10.131 1.00 0.00 C ATOM 1224 CG ARG A 67 7.925 -2.208 -11.035 1.00 0.00 C ATOM 1225 CD ARG A 67 7.588 -2.931 -12.347 1.00 0.00 C ATOM 1226 NE ARG A 67 6.605 -4.006 -12.130 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.473 -5.132 -12.837 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.276 -5.413 -13.852 1.00 0.00 N ATOM 1229 NH2 ARG A 67 5.527 -5.997 -12.502 1.00 0.00 N ATOM 0 H ARG A 67 10.629 -4.288 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 67 10.391 -3.415 -11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.538 -4.018 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.880 -2.555 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.002 -2.020 -10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.362 -1.236 -11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.193 -2.215 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.498 -3.349 -12.778 1.00 0.00 H new ATOM 0 HE ARG A 67 5.954 -3.877 -11.355 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.018 -4.762 -14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.153 -6.280 -14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.911 -5.799 -11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.415 -6.861 -13.033 1.00 0.00 H new ATOM 1243 N ILE A 68 11.445 -1.051 -9.614 1.00 0.00 N ATOM 1244 CA ILE A 68 11.999 0.305 -9.621 1.00 0.00 C ATOM 1245 C ILE A 68 13.426 0.346 -10.186 1.00 0.00 C ATOM 1246 O ILE A 68 13.998 1.429 -10.274 1.00 0.00 O ATOM 1247 CB ILE A 68 11.862 0.972 -8.236 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.808 0.347 -7.190 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.380 0.960 -7.815 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.556 0.827 -5.760 1.00 0.00 C ATOM 0 H ILE A 68 11.498 -1.519 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 68 11.404 0.906 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 68 12.182 2.012 -8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.703 -0.737 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.838 0.576 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.276 1.430 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.789 1.511 -8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.025 -0.069 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.261 0.342 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.690 1.908 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.538 0.573 -5.465 1.00 0.00 H new ATOM 1262 N HIS A 69 14.006 -0.801 -10.567 1.00 0.00 N ATOM 1263 CA HIS A 69 15.345 -0.928 -11.140 1.00 0.00 C ATOM 1264 C HIS A 69 16.484 -0.413 -10.238 1.00 0.00 C ATOM 1265 O HIS A 69 17.560 -0.093 -10.745 1.00 0.00 O ATOM 1266 CB HIS A 69 15.368 -0.304 -12.549 1.00 0.00 C ATOM 1267 CG HIS A 69 14.311 -0.841 -13.488 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.462 -1.908 -14.337 1.00 0.00 N ATOM 1269 CD2 HIS A 69 13.048 -0.347 -13.675 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.311 -2.077 -15.002 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.410 -1.151 -14.634 1.00 0.00 N ATOM 0 H HIS A 69 13.532 -1.700 -10.479 1.00 0.00 H new ATOM 0 HA HIS A 69 15.554 -1.995 -11.221 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.241 0.775 -12.457 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.350 -0.473 -12.992 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.619 0.508 -13.174 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.132 -2.851 -15.733 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.456 -1.052 -14.981 1.00 0.00 H new ATOM 1279 N LEU A 70 16.293 -0.342 -8.912 1.00 0.00 N ATOM 1280 CA LEU A 70 17.343 0.132 -8.001 1.00 0.00 C ATOM 1281 C LEU A 70 18.606 -0.739 -8.042 1.00 0.00 C ATOM 1282 O LEU A 70 18.557 -1.893 -8.489 1.00 0.00 O ATOM 1283 CB LEU A 70 16.833 0.384 -6.569 1.00 0.00 C ATOM 1284 CG LEU A 70 16.146 -0.727 -5.757 1.00 0.00 C ATOM 1285 CD1 LEU A 70 16.921 -2.041 -5.636 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.922 -0.190 -4.338 1.00 0.00 C ATOM 0 H LEU A 70 15.424 -0.606 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 70 17.643 1.109 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.687 0.724 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.132 1.217 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 70 15.231 -0.969 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.343 -2.751 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.095 -2.454 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.878 -1.855 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.435 -0.954 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.882 0.070 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.290 0.697 -4.380 1.00 0.00 H new ATOM 1298 N ARG A 71 19.752 -0.162 -7.675 1.00 0.00 N ATOM 1299 CA ARG A 71 21.068 -0.806 -7.620 1.00 0.00 C ATOM 1300 C ARG A 71 21.140 -1.689 -6.378 1.00 0.00 C ATOM 1301 O ARG A 71 20.333 -1.541 -5.462 1.00 0.00 O ATOM 1302 CB ARG A 71 22.165 0.274 -7.521 1.00 0.00 C ATOM 1303 CG ARG A 71 22.538 0.913 -8.865 1.00 0.00 C ATOM 1304 CD ARG A 71 23.452 0.029 -9.717 1.00 0.00 C ATOM 1305 NE ARG A 71 24.764 -0.166 -9.079 1.00 0.00 N ATOM 1306 CZ ARG A 71 25.681 -1.095 -9.352 1.00 0.00 C ATOM 1307 NH1 ARG A 71 25.451 -2.030 -10.267 1.00 0.00 N ATOM 1308 NH2 ARG A 71 26.825 -1.116 -8.688 1.00 0.00 N ATOM 0 H ARG A 71 19.790 0.818 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 71 21.217 -1.405 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.830 1.056 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.058 -0.170 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.627 1.128 -9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.033 1.867 -8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 71 22.977 -0.939 -9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.588 0.484 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 71 25.001 0.491 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 71 24.564 -2.043 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.161 -2.735 -10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 71 27.008 -0.420 -7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 71 27.524 -1.828 -8.899 1.00 0.00 H new ATOM 1322 N PRO A 72 22.123 -2.596 -6.281 1.00 0.00 N ATOM 1323 CA PRO A 72 22.238 -3.453 -5.114 1.00 0.00 C ATOM 1324 C PRO A 72 22.667 -2.633 -3.890 1.00 0.00 C ATOM 1325 O PRO A 72 22.380 -3.036 -2.763 1.00 0.00 O ATOM 1326 CB PRO A 72 23.252 -4.528 -5.502 1.00 0.00 C ATOM 1327 CG PRO A 72 24.085 -3.903 -6.624 1.00 0.00 C ATOM 1328 CD PRO A 72 23.150 -2.882 -7.265 1.00 0.00 C ATOM 0 HA PRO A 72 21.292 -3.914 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.878 -4.805 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.754 -5.437 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 72 24.985 -3.428 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.408 -4.654 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.691 -1.976 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.711 -3.278 -8.181 1.00 0.00 H new ATOM 1336 N GLU A 73 23.357 -1.512 -4.124 1.00 0.00 N ATOM 1337 CA GLU A 73 23.869 -0.560 -3.144 1.00 0.00 C ATOM 1338 C GLU A 73 22.800 0.457 -2.711 1.00 0.00 C ATOM 1339 O GLU A 73 23.089 1.305 -1.866 1.00 0.00 O ATOM 1340 CB GLU A 73 25.072 0.159 -3.762 1.00 0.00 C ATOM 1341 CG GLU A 73 26.306 -0.735 -3.975 1.00 0.00 C ATOM 1342 CD GLU A 73 27.136 -0.250 -5.167 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.317 0.980 -5.336 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.503 -1.097 -6.012 1.00 0.00 O ATOM 0 H GLU A 73 23.587 -1.229 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 73 24.164 -1.102 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.774 0.581 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.350 0.994 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.920 -0.733 -3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.989 -1.764 -4.143 1.00 0.00 H new ATOM 1351 N ASP A 74 21.607 0.477 -3.323 1.00 0.00 N ATOM 1352 CA ASP A 74 20.547 1.399 -2.886 1.00 0.00 C ATOM 1353 C ASP A 74 20.119 0.851 -1.512 1.00 0.00 C ATOM 1354 O ASP A 74 20.303 -0.347 -1.246 1.00 0.00 O ATOM 1355 CB ASP A 74 19.365 1.446 -3.870 1.00 0.00 C ATOM 1356 CG ASP A 74 19.510 2.512 -4.962 1.00 0.00 C ATOM 1357 OD1 ASP A 74 19.360 3.716 -4.671 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.726 2.172 -6.146 1.00 0.00 O ATOM 0 H ASP A 74 21.354 -0.123 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 74 20.899 2.429 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.258 0.469 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.447 1.633 -3.312 1.00 0.00 H new ATOM 1363 N ALA A 75 19.542 1.651 -0.620 1.00 0.00 N ATOM 1364 CA ALA A 75 19.146 1.190 0.710 1.00 0.00 C ATOM 1365 C ALA A 75 17.642 1.347 0.865 1.00 0.00 C ATOM 1366 O ALA A 75 17.168 2.244 1.551 1.00 0.00 O ATOM 1367 CB ALA A 75 19.952 1.965 1.750 1.00 0.00 C ATOM 0 H ALA A 75 19.336 2.634 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 75 19.364 0.132 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.670 1.634 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.016 1.784 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.747 3.031 1.649 1.00 0.00 H new ATOM 1373 N LEU A 76 16.877 0.356 0.412 1.00 0.00 N ATOM 1374 CA LEU A 76 15.431 0.475 0.475 1.00 0.00 C ATOM 1375 C LEU A 76 14.905 -0.104 1.771 1.00 0.00 C ATOM 1376 O LEU A 76 15.233 -1.233 2.155 1.00 0.00 O ATOM 1377 CB LEU A 76 14.830 -0.224 -0.753 1.00 0.00 C ATOM 1378 CG LEU A 76 13.289 -0.157 -0.802 1.00 0.00 C ATOM 1379 CD1 LEU A 76 12.812 -0.145 -2.258 1.00 0.00 C ATOM 1380 CD2 LEU A 76 12.635 -1.352 -0.098 1.00 0.00 C ATOM 0 H LEU A 76 17.226 -0.514 0.009 1.00 0.00 H new ATOM 0 HA LEU A 76 15.138 1.525 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.235 0.232 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.141 -1.269 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 76 12.996 0.758 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.723 -0.098 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.225 0.725 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.148 -1.053 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.550 -1.261 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.949 -2.276 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.940 -1.369 0.948 1.00 0.00 H new ATOM 1392 N PHE A 77 14.067 0.703 2.416 1.00 0.00 N ATOM 1393 CA PHE A 77 13.389 0.456 3.673 1.00 0.00 C ATOM 1394 C PHE A 77 11.926 0.862 3.529 1.00 0.00 C ATOM 1395 O PHE A 77 11.601 1.767 2.757 1.00 0.00 O ATOM 1396 CB PHE A 77 14.035 1.310 4.767 1.00 0.00 C ATOM 1397 CG PHE A 77 15.472 0.958 5.076 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.751 -0.237 5.759 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.525 1.821 4.715 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.063 -0.533 6.153 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.844 1.515 5.094 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.108 0.348 5.835 1.00 0.00 C ATOM 0 H PHE A 77 13.829 1.620 2.037 1.00 0.00 H new ATOM 0 HA PHE A 77 13.463 -0.599 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.988 2.357 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.447 1.213 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.953 -0.930 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.320 2.717 4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.270 -1.440 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.653 2.174 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.115 0.130 6.159 1.00 0.00 H new ATOM 1412 N PHE A 78 11.046 0.200 4.272 1.00 0.00 N ATOM 1413 CA PHE A 78 9.611 0.449 4.288 1.00 0.00 C ATOM 1414 C PHE A 78 9.196 0.698 5.738 1.00 0.00 C ATOM 1415 O PHE A 78 9.801 0.164 6.670 1.00 0.00 O ATOM 1416 CB PHE A 78 8.855 -0.733 3.660 1.00 0.00 C ATOM 1417 CG PHE A 78 8.451 -0.555 2.202 1.00 0.00 C ATOM 1418 CD1 PHE A 78 9.410 -0.301 1.207 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.099 -0.664 1.830 1.00 0.00 C ATOM 1420 CE1 PHE A 78 9.022 -0.173 -0.140 1.00 0.00 C ATOM 1421 CE2 PHE A 78 6.703 -0.498 0.492 1.00 0.00 C ATOM 1422 CZ PHE A 78 7.669 -0.270 -0.500 1.00 0.00 C ATOM 0 H PHE A 78 11.324 -0.552 4.902 1.00 0.00 H new ATOM 0 HA PHE A 78 9.361 1.326 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.478 -1.624 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.956 -0.920 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.451 -0.203 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.355 -0.878 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.769 0.001 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.657 -0.546 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.373 -0.170 -1.534 1.00 0.00 H new ATOM 1432 N PHE A 79 8.148 1.493 5.917 1.00 0.00 N ATOM 1433 CA PHE A 79 7.576 1.887 7.194 1.00 0.00 C ATOM 1434 C PHE A 79 6.061 1.773 7.069 1.00 0.00 C ATOM 1435 O PHE A 79 5.519 1.899 5.969 1.00 0.00 O ATOM 1436 CB PHE A 79 7.956 3.352 7.481 1.00 0.00 C ATOM 1437 CG PHE A 79 9.442 3.663 7.597 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.264 3.732 6.453 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.001 3.943 8.858 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.633 4.033 6.579 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.358 4.291 8.976 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.181 4.324 7.839 1.00 0.00 C ATOM 0 H PHE A 79 7.648 1.902 5.128 1.00 0.00 H new ATOM 0 HA PHE A 79 7.945 1.255 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.539 3.973 6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.472 3.653 8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.841 3.553 5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.383 3.890 9.742 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.265 4.040 5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.769 4.534 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.228 4.571 7.933 1.00 0.00 H new ATOM 1452 N VAL A 80 5.372 1.497 8.168 1.00 0.00 N ATOM 1453 CA VAL A 80 3.921 1.390 8.219 1.00 0.00 C ATOM 1454 C VAL A 80 3.525 1.972 9.566 1.00 0.00 C ATOM 1455 O VAL A 80 4.132 1.598 10.569 1.00 0.00 O ATOM 1456 CB VAL A 80 3.446 -0.063 7.997 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.050 -1.099 8.955 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.918 -0.156 8.060 1.00 0.00 C ATOM 0 H VAL A 80 5.818 1.337 9.071 1.00 0.00 H new ATOM 0 HA VAL A 80 3.434 1.941 7.414 1.00 0.00 H new ATOM 0 HB VAL A 80 3.811 -0.315 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.655 -2.087 8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.135 -1.106 8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.790 -0.840 9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.609 -1.189 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.573 0.179 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.483 0.476 7.286 1.00 0.00 H new ATOM 1468 N ASN A 81 2.536 2.868 9.595 1.00 0.00 N ATOM 1469 CA ASN A 81 2.027 3.525 10.800 1.00 0.00 C ATOM 1470 C ASN A 81 3.135 3.842 11.822 1.00 0.00 C ATOM 1471 O ASN A 81 3.130 3.360 12.957 1.00 0.00 O ATOM 1472 CB ASN A 81 0.862 2.718 11.403 1.00 0.00 C ATOM 1473 CG ASN A 81 0.293 3.415 12.641 1.00 0.00 C ATOM 1474 OD1 ASN A 81 0.384 4.632 12.798 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.275 2.664 13.566 1.00 0.00 N ATOM 0 H ASN A 81 2.050 3.166 8.749 1.00 0.00 H new ATOM 0 HA ASN A 81 1.633 4.498 10.506 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.076 2.595 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.207 1.719 11.670 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.641 3.092 14.416 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.348 1.656 13.430 1.00 0.00 H new ATOM 1482 N ASN A 82 4.118 4.645 11.403 1.00 0.00 N ATOM 1483 CA ASN A 82 5.266 5.103 12.191 1.00 0.00 C ATOM 1484 C ASN A 82 6.092 3.974 12.830 1.00 0.00 C ATOM 1485 O ASN A 82 6.821 4.224 13.800 1.00 0.00 O ATOM 1486 CB ASN A 82 4.802 6.116 13.257 1.00 0.00 C ATOM 1487 CG ASN A 82 4.101 7.319 12.651 1.00 0.00 C ATOM 1488 OD1 ASN A 82 4.756 8.168 12.050 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.791 7.425 12.786 1.00 0.00 N ATOM 0 H ASN A 82 4.135 5.013 10.452 1.00 0.00 H new ATOM 0 HA ASN A 82 5.943 5.585 11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.127 5.620 13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.664 6.454 13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.300 8.225 12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.270 6.707 13.289 1.00 0.00 H new ATOM 1496 N THR A 83 6.039 2.750 12.305 1.00 0.00 N ATOM 1497 CA THR A 83 6.741 1.581 12.817 1.00 0.00 C ATOM 1498 C THR A 83 7.554 0.915 11.707 1.00 0.00 C ATOM 1499 O THR A 83 7.226 1.013 10.521 1.00 0.00 O ATOM 1500 CB THR A 83 5.686 0.646 13.444 1.00 0.00 C ATOM 1501 OG1 THR A 83 5.114 1.301 14.557 1.00 0.00 O ATOM 1502 CG2 THR A 83 6.222 -0.689 13.967 1.00 0.00 C ATOM 0 H THR A 83 5.481 2.541 11.477 1.00 0.00 H new ATOM 0 HA THR A 83 7.465 1.854 13.584 1.00 0.00 H new ATOM 0 HB THR A 83 4.985 0.426 12.638 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.486 1.986 14.246 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.402 -1.271 14.387 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.678 -1.244 13.147 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.968 -0.504 14.740 1.00 0.00 H new ATOM 1510 N ILE A 84 8.623 0.225 12.115 1.00 0.00 N ATOM 1511 CA ILE A 84 9.549 -0.512 11.270 1.00 0.00 C ATOM 1512 C ILE A 84 9.399 -1.979 11.720 1.00 0.00 C ATOM 1513 O ILE A 84 10.153 -2.452 12.580 1.00 0.00 O ATOM 1514 CB ILE A 84 10.988 0.044 11.392 1.00 0.00 C ATOM 1515 CG1 ILE A 84 11.037 1.587 11.390 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.809 -0.517 10.221 1.00 0.00 C ATOM 1517 CD1 ILE A 84 12.446 2.162 11.557 1.00 0.00 C ATOM 0 H ILE A 84 8.874 0.167 13.102 1.00 0.00 H new ATOM 0 HA ILE A 84 9.330 -0.417 10.206 1.00 0.00 H new ATOM 0 HB ILE A 84 11.402 -0.269 12.351 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.614 1.953 10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.404 1.962 12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.831 -0.142 10.280 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.819 -1.606 10.272 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.361 -0.202 9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.398 3.251 11.546 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.866 1.827 12.506 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.079 1.818 10.739 1.00 0.00 H new ATOM 1529 N PRO A 85 8.382 -2.703 11.226 1.00 0.00 N ATOM 1530 CA PRO A 85 8.123 -4.094 11.597 1.00 0.00 C ATOM 1531 C PRO A 85 9.156 -5.074 11.011 1.00 0.00 C ATOM 1532 O PRO A 85 9.969 -4.692 10.162 1.00 0.00 O ATOM 1533 CB PRO A 85 6.716 -4.362 11.057 1.00 0.00 C ATOM 1534 CG PRO A 85 6.667 -3.500 9.806 1.00 0.00 C ATOM 1535 CD PRO A 85 7.431 -2.255 10.219 1.00 0.00 C ATOM 0 HA PRO A 85 8.201 -4.246 12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.565 -5.417 10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.946 -4.078 11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.134 -3.996 8.955 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.642 -3.267 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.942 -1.807 9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.759 -1.497 10.622 1.00 0.00 H new ATOM 1543 N PRO A 86 9.156 -6.354 11.428 1.00 0.00 N ATOM 1544 CA PRO A 86 10.085 -7.327 10.875 1.00 0.00 C ATOM 1545 C PRO A 86 9.709 -7.597 9.414 1.00 0.00 C ATOM 1546 O PRO A 86 8.526 -7.741 9.082 1.00 0.00 O ATOM 1547 CB PRO A 86 9.949 -8.580 11.739 1.00 0.00 C ATOM 1548 CG PRO A 86 8.549 -8.479 12.332 1.00 0.00 C ATOM 1549 CD PRO A 86 8.297 -6.975 12.431 1.00 0.00 C ATOM 0 HA PRO A 86 11.118 -6.980 10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.065 -9.487 11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.710 -8.610 12.519 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.810 -8.966 11.696 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.494 -8.958 13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.249 -6.742 12.244 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.533 -6.605 13.429 1.00 0.00 H new ATOM 1557 N THR A 87 10.714 -7.713 8.541 1.00 0.00 N ATOM 1558 CA THR A 87 10.493 -7.979 7.121 1.00 0.00 C ATOM 1559 C THR A 87 9.862 -9.364 6.893 1.00 0.00 C ATOM 1560 O THR A 87 9.365 -9.634 5.798 1.00 0.00 O ATOM 1561 CB THR A 87 11.792 -7.775 6.315 1.00 0.00 C ATOM 1562 OG1 THR A 87 11.574 -7.992 4.934 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.958 -8.666 6.763 1.00 0.00 C ATOM 0 H THR A 87 11.697 -7.625 8.799 1.00 0.00 H new ATOM 0 HA THR A 87 9.770 -7.253 6.748 1.00 0.00 H new ATOM 0 HB THR A 87 12.074 -6.740 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.774 -8.544 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.832 -8.460 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.194 -8.459 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.677 -9.714 6.656 1.00 0.00 H new ATOM 1571 N SER A 88 9.877 -10.230 7.904 1.00 0.00 N ATOM 1572 CA SER A 88 9.335 -11.573 7.861 1.00 0.00 C ATOM 1573 C SER A 88 7.839 -11.629 8.207 1.00 0.00 C ATOM 1574 O SER A 88 7.254 -12.707 8.104 1.00 0.00 O ATOM 1575 CB SER A 88 10.125 -12.426 8.861 1.00 0.00 C ATOM 1576 OG SER A 88 11.514 -12.129 8.830 1.00 0.00 O ATOM 0 H SER A 88 10.285 -9.999 8.810 1.00 0.00 H new ATOM 0 HA SER A 88 9.430 -11.948 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.740 -12.256 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.974 -13.482 8.636 1.00 0.00 H new ATOM 0 HG SER A 88 11.983 -12.691 9.481 1.00 0.00 H new ATOM 1582 N ALA A 89 7.214 -10.535 8.668 1.00 0.00 N ATOM 1583 CA ALA A 89 5.790 -10.577 9.011 1.00 0.00 C ATOM 1584 C ALA A 89 4.932 -10.656 7.748 1.00 0.00 C ATOM 1585 O ALA A 89 5.387 -10.283 6.662 1.00 0.00 O ATOM 1586 CB ALA A 89 5.404 -9.352 9.844 1.00 0.00 C ATOM 0 H ALA A 89 7.663 -9.630 8.809 1.00 0.00 H new ATOM 0 HA ALA A 89 5.607 -11.472 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.343 -9.399 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.990 -9.338 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.604 -8.446 9.273 1.00 0.00 H new ATOM 1592 N THR A 90 3.689 -11.117 7.890 1.00 0.00 N ATOM 1593 CA THR A 90 2.746 -11.240 6.790 1.00 0.00 C ATOM 1594 C THR A 90 1.905 -9.967 6.677 1.00 0.00 C ATOM 1595 O THR A 90 1.706 -9.242 7.659 1.00 0.00 O ATOM 1596 CB THR A 90 1.864 -12.487 6.986 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.253 -12.506 8.263 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.671 -13.779 6.826 1.00 0.00 C ATOM 0 H THR A 90 3.308 -11.418 8.787 1.00 0.00 H new ATOM 0 HA THR A 90 3.293 -11.363 5.855 1.00 0.00 H new ATOM 0 HB THR A 90 1.095 -12.433 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.700 -13.311 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.016 -14.638 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.103 -13.817 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.470 -13.803 7.567 1.00 0.00 H new ATOM 1606 N MET A 91 1.363 -9.718 5.482 1.00 0.00 N ATOM 1607 CA MET A 91 0.516 -8.560 5.222 1.00 0.00 C ATOM 1608 C MET A 91 -0.717 -8.595 6.126 1.00 0.00 C ATOM 1609 O MET A 91 -1.183 -7.543 6.546 1.00 0.00 O ATOM 1610 CB MET A 91 0.093 -8.528 3.741 1.00 0.00 C ATOM 1611 CG MET A 91 0.929 -7.535 2.928 1.00 0.00 C ATOM 1612 SD MET A 91 0.834 -5.772 3.403 1.00 0.00 S ATOM 1613 CE MET A 91 -0.948 -5.498 3.597 1.00 0.00 C ATOM 0 H MET A 91 1.502 -10.317 4.668 1.00 0.00 H new ATOM 0 HA MET A 91 1.084 -7.655 5.440 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.196 -9.525 3.313 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.961 -8.258 3.670 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.972 -7.845 2.988 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.631 -7.619 1.883 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.130 -4.453 3.850 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.457 -5.740 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.330 -6.136 4.394 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.233 -9.780 6.456 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.397 -9.939 7.307 1.00 0.00 C ATOM 1625 C GLY A 92 -2.123 -9.525 8.750 1.00 0.00 C ATOM 1626 O GLY A 92 -3.046 -9.041 9.403 1.00 0.00 O ATOM 0 H GLY A 92 -0.843 -10.665 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.218 -9.342 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.720 -10.980 7.285 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.900 -9.702 9.268 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.590 -9.329 10.645 1.00 0.00 C ATOM 1632 C GLN A 93 -0.595 -7.807 10.810 1.00 0.00 C ATOM 1633 O GLN A 93 -1.304 -7.275 11.663 1.00 0.00 O ATOM 1634 CB GLN A 93 0.756 -9.942 11.063 1.00 0.00 C ATOM 1635 CG GLN A 93 1.050 -9.737 12.558 1.00 0.00 C ATOM 1636 CD GLN A 93 0.011 -10.396 13.466 1.00 0.00 C ATOM 1637 OE1 GLN A 93 -0.140 -11.616 13.456 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -0.731 -9.628 14.244 1.00 0.00 N ATOM 0 H GLN A 93 -0.115 -10.100 8.752 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.362 -9.726 11.304 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.753 -11.009 10.838 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.556 -9.495 10.473 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.035 -10.143 12.788 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.087 -8.669 12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.595 -8.617 14.242 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.440 -10.046 14.847 1.00 0.00 H new ATOM 1647 N LEU A 94 0.149 -7.089 9.961 1.00 0.00 N ATOM 1648 CA LEU A 94 0.188 -5.629 10.047 1.00 0.00 C ATOM 1649 C LEU A 94 -1.199 -5.069 9.742 1.00 0.00 C ATOM 1650 O LEU A 94 -1.566 -4.035 10.293 1.00 0.00 O ATOM 1651 CB LEU A 94 1.289 -5.023 9.161 1.00 0.00 C ATOM 1652 CG LEU A 94 1.054 -5.181 7.646 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.310 -4.001 7.006 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.389 -5.333 6.931 1.00 0.00 C ATOM 0 H LEU A 94 0.723 -7.489 9.219 1.00 0.00 H new ATOM 0 HA LEU A 94 0.455 -5.340 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.380 -3.962 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.241 -5.488 9.418 1.00 0.00 H new ATOM 0 HG LEU A 94 0.428 -6.067 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.183 -4.186 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.668 -3.891 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.886 -3.087 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.218 -5.444 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.001 -4.449 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.906 -6.215 7.309 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.944 -5.716 8.838 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.283 -5.300 8.475 1.00 0.00 C ATOM 1668 C TYR A 95 -4.206 -5.401 9.686 1.00 0.00 C ATOM 1669 O TYR A 95 -4.869 -4.417 9.987 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.807 -6.134 7.298 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.316 -6.236 7.220 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.108 -5.077 7.117 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.927 -7.495 7.370 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.508 -5.170 7.205 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.322 -7.591 7.468 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.112 -6.427 7.421 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.442 -6.517 7.663 1.00 0.00 O ATOM 0 H TYR A 95 -1.623 -6.547 8.341 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.258 -4.259 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.437 -5.700 6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.391 -7.139 7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.640 -4.115 6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.321 -8.388 7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.118 -4.284 7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.790 -8.558 7.580 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.832 -5.618 7.683 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.239 -6.534 10.397 1.00 0.00 N ATOM 1688 CA GLU A 96 -5.129 -6.670 11.544 1.00 0.00 C ATOM 1689 C GLU A 96 -4.773 -5.735 12.695 1.00 0.00 C ATOM 1690 O GLU A 96 -5.678 -5.287 13.402 1.00 0.00 O ATOM 1691 CB GLU A 96 -5.213 -8.118 12.044 1.00 0.00 C ATOM 1692 CG GLU A 96 -3.947 -8.640 12.735 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.230 -9.871 13.574 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.558 -9.739 14.778 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -4.049 -11.000 13.074 1.00 0.00 O ATOM 0 H GLU A 96 -3.667 -7.355 10.199 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.112 -6.374 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.048 -8.198 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.440 -8.766 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.194 -8.878 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.529 -7.857 13.368 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.489 -5.429 12.885 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.026 -4.567 13.955 1.00 0.00 C ATOM 1704 C ASP A 97 -3.321 -3.102 13.628 1.00 0.00 C ATOM 1705 O ASP A 97 -3.849 -2.370 14.467 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.532 -4.839 14.168 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.258 -6.127 14.959 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.974 -6.417 15.949 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.311 -6.865 14.594 1.00 0.00 O ATOM 0 H ASP A 97 -2.739 -5.780 12.290 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.554 -4.779 14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.039 -4.904 13.198 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.087 -3.995 14.695 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.086 -2.677 12.384 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.328 -1.302 11.935 1.00 0.00 C ATOM 1716 C ASN A 98 -4.749 -1.089 11.409 1.00 0.00 C ATOM 1717 O ASN A 98 -5.060 0.027 10.991 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.280 -0.853 10.903 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.931 -0.605 11.562 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.831 0.122 12.543 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.137 -1.190 11.057 1.00 0.00 N ATOM 0 H ASN A 98 -2.718 -3.284 11.651 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.226 -0.671 12.818 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.176 -1.615 10.131 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.619 0.057 10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.051 -1.038 11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.049 -1.795 10.240 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.590 -2.125 11.437 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.964 -2.169 10.961 1.00 0.00 C ATOM 1730 C HIS A 99 -7.799 -0.917 11.249 1.00 0.00 C ATOM 1731 O HIS A 99 -8.217 -0.619 12.371 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.674 -3.472 11.374 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.373 -3.442 12.707 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.734 -3.456 12.877 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.805 -3.242 13.935 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.990 -3.261 14.176 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.846 -3.153 14.874 1.00 0.00 N ATOM 0 H HIS A 99 -5.300 -3.023 11.825 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.879 -2.171 9.874 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.406 -3.724 10.607 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.938 -4.276 11.389 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.748 -3.166 14.145 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.979 -3.199 14.605 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.753 -3.031 15.882 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.011 -0.132 10.207 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.813 1.074 10.255 1.00 0.00 C ATOM 1747 C GLU A 100 -10.258 0.655 9.939 1.00 0.00 C ATOM 1748 O GLU A 100 -10.540 -0.516 9.648 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.283 2.103 9.245 1.00 0.00 C ATOM 1750 CG GLU A 100 -8.213 3.493 9.873 1.00 0.00 C ATOM 1751 CD GLU A 100 -6.965 3.683 10.744 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -5.863 3.888 10.182 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.075 3.680 11.992 1.00 0.00 O ATOM 0 H GLU A 100 -7.621 -0.321 9.284 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.768 1.550 11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.293 1.804 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.931 2.127 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.219 4.245 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.104 3.659 10.479 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.201 1.588 9.994 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.598 1.275 9.695 1.00 0.00 C ATOM 1762 C GLU A 101 -12.831 1.191 8.181 1.00 0.00 C ATOM 1763 O GLU A 101 -13.809 0.591 7.728 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.523 2.370 10.250 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.228 2.771 11.704 1.00 0.00 C ATOM 1766 CD GLU A 101 -12.143 3.840 11.864 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -11.956 4.670 10.948 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -11.534 3.893 12.955 1.00 0.00 O ATOM 0 H GLU A 101 -11.028 2.562 10.241 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.820 0.314 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.440 3.254 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.555 2.026 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.148 3.135 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.928 1.882 12.258 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.880 1.714 7.408 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.910 1.817 5.956 1.00 0.00 C ATOM 1777 C ASP A 102 -11.206 0.697 5.196 1.00 0.00 C ATOM 1778 O ASP A 102 -10.945 0.843 4.005 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.354 3.197 5.581 1.00 0.00 C ATOM 1780 CG ASP A 102 -12.248 4.343 6.053 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -13.377 4.063 6.515 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.792 5.497 5.925 1.00 0.00 O ATOM 0 H ASP A 102 -11.022 2.098 7.804 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.948 1.701 5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.361 3.314 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.237 3.255 4.499 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.862 -0.410 5.859 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.218 -1.610 5.305 1.00 0.00 C ATOM 1789 C TYR A 103 -9.023 -1.436 4.338 1.00 0.00 C ATOM 1790 O TYR A 103 -8.659 -2.395 3.654 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.323 -2.537 4.764 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.156 -3.193 5.850 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.600 -4.264 6.571 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.458 -2.748 6.160 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.331 -4.894 7.589 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.202 -3.384 7.175 1.00 0.00 C ATOM 1797 CZ TYR A 103 -13.638 -4.466 7.894 1.00 0.00 C ATOM 1798 OH TYR A 103 -14.333 -5.123 8.864 1.00 0.00 O ATOM 0 H TYR A 103 -11.035 -0.501 6.860 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.685 -2.065 6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.980 -1.962 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.866 -3.313 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.602 -4.605 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.886 -1.918 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.890 -5.711 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.202 -3.046 7.404 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.219 -4.716 8.965 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.393 -0.264 4.245 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.237 0.009 3.385 1.00 0.00 C ATOM 1810 C PHE A 104 -6.037 0.215 4.296 1.00 0.00 C ATOM 1811 O PHE A 104 -6.195 0.764 5.387 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.445 1.280 2.544 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.071 1.113 1.169 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -9.256 0.373 0.992 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -7.513 1.792 0.067 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -9.886 0.340 -0.264 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -8.142 1.763 -1.186 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.340 1.055 -1.339 1.00 0.00 C ATOM 0 H PHE A 104 -8.683 0.551 4.785 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.093 -0.825 2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.069 1.965 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.476 1.762 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.681 -0.170 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.591 2.341 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.790 -0.236 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.706 2.283 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.847 1.060 -2.292 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.845 -0.173 3.848 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.624 -0.020 4.636 1.00 0.00 C ATOM 1830 C LEU A 105 -2.666 0.881 3.887 1.00 0.00 C ATOM 1831 O LEU A 105 -2.486 0.714 2.683 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.993 -1.400 4.903 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.768 -1.727 6.392 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.642 -0.871 6.985 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.041 -1.595 7.241 1.00 0.00 C ATOM 0 H LEU A 105 -4.698 -0.600 2.933 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.856 0.433 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.634 -2.168 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.036 -1.453 4.384 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.473 -2.776 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.507 -1.125 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.716 -1.063 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.902 0.184 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.813 -1.839 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.413 -0.572 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.801 -2.280 6.866 1.00 0.00 H new ATOM 1847 N TYR A 106 -2.067 1.848 4.565 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.121 2.747 3.937 1.00 0.00 C ATOM 1849 C TYR A 106 0.283 2.309 4.340 1.00 0.00 C ATOM 1850 O TYR A 106 0.495 1.828 5.452 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.436 4.188 4.322 1.00 0.00 C ATOM 1852 CG TYR A 106 -1.137 4.570 5.760 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.144 5.048 6.088 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -2.131 4.494 6.757 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.427 5.478 7.392 1.00 0.00 C ATOM 1856 CE2 TYR A 106 -1.855 4.928 8.066 1.00 0.00 C ATOM 1857 CZ TYR A 106 -0.575 5.436 8.383 1.00 0.00 C ATOM 1858 OH TYR A 106 -0.284 5.895 9.629 1.00 0.00 O ATOM 0 H TYR A 106 -2.223 2.028 5.557 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.191 2.704 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.872 4.851 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.493 4.372 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.914 5.084 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.107 4.101 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.414 5.842 7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.619 4.873 8.827 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.072 5.804 10.204 1.00 0.00 H new ATOM 1868 N VAL A 107 1.234 2.368 3.412 1.00 0.00 N ATOM 1869 CA VAL A 107 2.614 1.993 3.679 1.00 0.00 C ATOM 1870 C VAL A 107 3.533 3.019 3.018 1.00 0.00 C ATOM 1871 O VAL A 107 3.274 3.436 1.884 1.00 0.00 O ATOM 1872 CB VAL A 107 2.812 0.521 3.259 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.668 0.249 1.754 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.151 -0.023 3.753 1.00 0.00 C ATOM 0 H VAL A 107 1.067 2.677 2.455 1.00 0.00 H new ATOM 0 HA VAL A 107 2.875 2.022 4.737 1.00 0.00 H new ATOM 0 HB VAL A 107 1.990 -0.007 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.824 -0.812 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.668 0.534 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.409 0.831 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.259 -1.062 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.963 0.570 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.188 0.034 4.841 1.00 0.00 H new ATOM 1884 N ALA A 108 4.645 3.389 3.652 1.00 0.00 N ATOM 1885 CA ALA A 108 5.593 4.355 3.112 1.00 0.00 C ATOM 1886 C ALA A 108 6.916 3.669 2.795 1.00 0.00 C ATOM 1887 O ALA A 108 7.307 2.723 3.478 1.00 0.00 O ATOM 1888 CB ALA A 108 5.812 5.502 4.103 1.00 0.00 C ATOM 0 H ALA A 108 4.913 3.021 4.565 1.00 0.00 H new ATOM 0 HA ALA A 108 5.183 4.769 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.523 6.214 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.864 6.005 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.206 5.104 5.038 1.00 0.00 H new ATOM 1894 N TYR A 109 7.621 4.174 1.786 1.00 0.00 N ATOM 1895 CA TYR A 109 8.913 3.663 1.346 1.00 0.00 C ATOM 1896 C TYR A 109 9.955 4.765 1.477 1.00 0.00 C ATOM 1897 O TYR A 109 9.610 5.942 1.350 1.00 0.00 O ATOM 1898 CB TYR A 109 8.813 3.111 -0.078 1.00 0.00 C ATOM 1899 CG TYR A 109 8.567 4.081 -1.226 1.00 0.00 C ATOM 1900 CD1 TYR A 109 9.570 4.978 -1.635 1.00 0.00 C ATOM 1901 CD2 TYR A 109 7.386 3.981 -1.984 1.00 0.00 C ATOM 1902 CE1 TYR A 109 9.427 5.706 -2.822 1.00 0.00 C ATOM 1903 CE2 TYR A 109 7.246 4.682 -3.197 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.293 5.518 -3.639 1.00 0.00 C ATOM 1905 OH TYR A 109 8.242 6.119 -4.857 1.00 0.00 O ATOM 0 H TYR A 109 7.299 4.972 1.238 1.00 0.00 H new ATOM 0 HA TYR A 109 9.224 2.831 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.739 2.577 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.010 2.374 -0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.455 5.106 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.577 3.359 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.188 6.415 -3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.345 4.581 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 109 8.017 7.066 -4.745 1.00 0.00 H new ATOM 1915 N SER A 110 11.221 4.404 1.699 1.00 0.00 N ATOM 1916 CA SER A 110 12.307 5.357 1.857 1.00 0.00 C ATOM 1917 C SER A 110 13.650 4.737 1.456 1.00 0.00 C ATOM 1918 O SER A 110 13.769 3.508 1.413 1.00 0.00 O ATOM 1919 CB SER A 110 12.353 5.727 3.356 1.00 0.00 C ATOM 1920 OG SER A 110 12.854 7.025 3.601 1.00 0.00 O ATOM 0 H SER A 110 11.517 3.431 1.774 1.00 0.00 H new ATOM 0 HA SER A 110 12.139 6.226 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.349 5.649 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.973 5.001 3.882 1.00 0.00 H new ATOM 0 HG SER A 110 13.770 6.963 3.944 1.00 0.00 H new ATOM 1926 N ASP A 111 14.657 5.574 1.166 1.00 0.00 N ATOM 1927 CA ASP A 111 16.017 5.101 0.832 1.00 0.00 C ATOM 1928 C ASP A 111 16.972 5.434 1.989 1.00 0.00 C ATOM 1929 O ASP A 111 18.039 4.850 2.165 1.00 0.00 O ATOM 1930 CB ASP A 111 16.557 5.539 -0.532 1.00 0.00 C ATOM 1931 CG ASP A 111 17.529 4.460 -1.044 1.00 0.00 C ATOM 1932 OD1 ASP A 111 17.027 3.399 -1.486 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.762 4.677 -1.011 1.00 0.00 O ATOM 0 H ASP A 111 14.558 6.589 1.155 1.00 0.00 H new ATOM 0 HA ASP A 111 15.946 4.019 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.737 5.676 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.067 6.498 -0.447 1.00 0.00 H new ATOM 1938 N GLU A 112 16.586 6.403 2.817 1.00 0.00 N ATOM 1939 CA GLU A 112 17.329 6.813 3.992 1.00 0.00 C ATOM 1940 C GLU A 112 16.310 7.107 5.095 1.00 0.00 C ATOM 1941 O GLU A 112 15.161 7.471 4.819 1.00 0.00 O ATOM 1942 CB GLU A 112 18.267 7.974 3.653 1.00 0.00 C ATOM 1943 CG GLU A 112 19.146 8.346 4.851 1.00 0.00 C ATOM 1944 CD GLU A 112 20.323 9.234 4.457 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.279 9.867 3.378 1.00 0.00 O ATOM 1946 OE2 GLU A 112 21.300 9.273 5.244 1.00 0.00 O ATOM 0 H GLU A 112 15.726 6.934 2.680 1.00 0.00 H new ATOM 0 HA GLU A 112 17.993 6.029 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.898 7.700 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.681 8.840 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.540 8.861 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.522 7.436 5.319 1.00 0.00 H new ATOM 1953 N SER A 113 16.695 6.903 6.351 1.00 0.00 N ATOM 1954 CA SER A 113 15.850 7.148 7.506 1.00 0.00 C ATOM 1955 C SER A 113 15.800 8.676 7.686 1.00 0.00 C ATOM 1956 O SER A 113 16.751 9.269 8.208 1.00 0.00 O ATOM 1957 CB SER A 113 16.475 6.359 8.664 1.00 0.00 C ATOM 1958 OG SER A 113 15.758 6.452 9.874 1.00 0.00 O ATOM 0 H SER A 113 17.622 6.556 6.595 1.00 0.00 H new ATOM 0 HA SER A 113 14.816 6.813 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.549 5.310 8.377 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.491 6.717 8.827 1.00 0.00 H new ATOM 0 HG SER A 113 16.212 5.925 10.564 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.014 -2.044 -7.277 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.002 -1.195 -7.892 1.00 0.00 C ATOM 2088 C GLU B 730 -11.780 -2.043 -8.280 1.00 0.00 C ATOM 2089 O GLU B 730 -11.606 -3.162 -7.784 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.638 -0.066 -6.912 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.348 1.271 -7.617 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.567 1.837 -8.362 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -14.718 1.425 -8.080 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -13.389 2.656 -9.287 1.00 0.00 O ATOM 0 HA GLU B 730 -13.384 -0.741 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.456 0.072 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.763 -0.363 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -12.011 1.999 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.530 1.132 -8.324 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.903 -1.511 -9.125 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.690 -2.169 -9.608 1.00 0.00 C ATOM 2103 C ASP B 731 -8.475 -1.316 -9.278 1.00 0.00 C ATOM 2104 O ASP B 731 -8.481 -0.114 -9.550 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.766 -2.361 -11.127 1.00 0.00 C ATOM 2106 CG ASP B 731 -8.414 -2.806 -11.669 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -7.988 -3.937 -11.350 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -7.753 -1.988 -12.350 1.00 0.00 O ATOM 0 H ASP B 731 -11.021 -0.573 -9.508 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.602 -3.140 -9.122 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.526 -3.104 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -10.068 -1.429 -11.604 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.453 -1.930 -8.688 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.189 -1.308 -8.301 1.00 0.00 C ATOM 2115 C TYR B 732 -5.044 -2.135 -8.894 1.00 0.00 C ATOM 2116 O TYR B 732 -5.291 -3.181 -9.512 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.113 -1.191 -6.771 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.284 -0.476 -6.115 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.856 0.676 -6.694 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.845 -1.009 -4.942 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -9.023 1.247 -6.159 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.006 -0.439 -4.398 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.615 0.676 -5.014 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.785 1.152 -4.513 1.00 0.00 O ATOM 0 H TYR B 732 -7.485 -2.923 -8.455 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.111 -0.294 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.039 -2.194 -6.350 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.195 -0.666 -6.508 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.391 1.125 -7.559 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.383 -1.857 -4.459 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.464 2.118 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.438 -0.857 -3.500 1.00 0.00 H new ATOM 0 HH TYR B 732 -11.071 1.931 -5.034 1.00 0.00 H new ATOM 2134 N ILE B 733 -3.789 -1.732 -8.684 1.00 0.00 N ATOM 2135 CA ILE B 733 -2.664 -2.467 -9.256 1.00 0.00 C ATOM 2136 C ILE B 733 -2.308 -3.624 -8.328 1.00 0.00 C ATOM 2137 O ILE B 733 -1.889 -3.442 -7.190 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.486 -1.519 -9.551 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -1.922 -0.243 -10.306 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.395 -2.256 -10.353 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.668 -0.483 -11.622 1.00 0.00 C ATOM 0 H ILE B 733 -3.531 -0.915 -8.131 1.00 0.00 H new ATOM 0 HA ILE B 733 -2.936 -2.896 -10.220 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.086 -1.203 -8.587 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.560 0.348 -9.649 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.036 0.357 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.431 -1.574 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.031 -3.107 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.812 -2.609 -11.296 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.929 0.475 -12.072 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.030 -1.043 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.577 -1.052 -11.426 1.00 0.00 H new ATOM 2153 N ILE B 734 -2.562 -4.843 -8.781 1.00 0.00 N ATOM 2154 CA ILE B 734 -2.272 -6.035 -8.010 1.00 0.00 C ATOM 2155 C ILE B 734 -0.762 -6.274 -8.104 1.00 0.00 C ATOM 2156 O ILE B 734 -0.158 -6.051 -9.161 1.00 0.00 O ATOM 2157 CB ILE B 734 -3.088 -7.222 -8.570 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -4.609 -6.955 -8.474 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -2.700 -8.504 -7.821 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -5.472 -8.012 -9.175 1.00 0.00 C ATOM 0 H ILE B 734 -2.975 -5.030 -9.695 1.00 0.00 H new ATOM 0 HA ILE B 734 -2.554 -5.924 -6.963 1.00 0.00 H new ATOM 0 HB ILE B 734 -2.854 -7.344 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -4.894 -6.907 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -4.824 -5.979 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -3.274 -9.343 -8.214 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -1.636 -8.697 -7.957 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -2.914 -8.384 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -6.525 -7.754 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -5.217 -8.046 -10.234 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -5.288 -8.988 -8.726 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.143 -6.729 -7.015 1.00 0.00 N ATOM 2173 CA ILE B 735 1.278 -7.030 -6.974 1.00 0.00 C ATOM 2174 C ILE B 735 1.459 -8.270 -6.098 1.00 0.00 C ATOM 2175 O ILE B 735 1.130 -8.262 -4.914 1.00 0.00 O ATOM 2176 CB ILE B 735 2.107 -5.784 -6.581 1.00 0.00 C ATOM 2177 CG1 ILE B 735 3.603 -6.113 -6.734 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.783 -5.206 -5.193 1.00 0.00 C ATOM 2179 CD1 ILE B 735 4.529 -4.901 -6.647 1.00 0.00 C ATOM 0 H ILE B 735 -0.623 -6.899 -6.131 1.00 0.00 H new ATOM 0 HA ILE B 735 1.677 -7.278 -7.958 1.00 0.00 H new ATOM 0 HB ILE B 735 1.826 -4.983 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE B 735 3.886 -6.827 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE B 735 3.758 -6.605 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE B 735 2.413 -4.336 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE B 735 0.735 -4.910 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.972 -5.962 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE B 735 5.563 -5.224 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE B 735 4.277 -4.193 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE B 735 4.408 -4.419 -5.677 1.00 0.00 H new