USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot -57:sc= 1.38 USER MOD Set 2.1: A 57 HIS :FLIP no HD1:sc= -0.0682 X(o=-0.53,f=-0.078) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc=-0.00944 F(o=-5!,f=-0.078) USER MOD Set 3.1: A 16 MET CE :methyl -129:sc= -0.517 (180deg=-2.7!) USER MOD Set 3.2: A 20 SER OG : rot -37:sc= 1.21 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 37 THR OG1 : rot 39:sc= 0.522 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-4.1!) USER MOD Single : A 42 ASN : amide:sc= -2.98! C(o=-3!,f=-2.8!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -87:sc= 0.205 USER MOD Single : A 47 ASN : amide:sc= 0.964 K(o=0.96,f=-0.42) USER MOD Single : A 49 TYR OH : rot 63:sc= 0.168 USER MOD Single : A 51 SER OG : rot -59:sc= 0.03 USER MOD Single : A 52 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.0669 F(o=-2.2!,f=-0.067) USER MOD Single : A 58 MET CE :methyl 153:sc= -1.9 (180deg=-4.97!) USER MOD Single : A 61 THR OG1 : rot -99:sc= 1.47 USER MOD Single : A 62 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot 65:sc= 0.475 USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= -0.753 (180deg=-3.42!) USER MOD Single : A 79 CYS SG : rot 22:sc= -4.82! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -119:sc= 0.947 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 165:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 92 TYR OH : rot -28:sc= -0.721 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.886 6.984 7.355 1.00 0.00 N ATOM 242 CA MET A 16 -5.331 5.579 7.461 1.00 0.00 C ATOM 243 C MET A 16 -6.377 5.312 6.427 1.00 0.00 C ATOM 244 O MET A 16 -6.349 4.306 5.732 1.00 0.00 O ATOM 245 CB MET A 16 -5.958 5.258 8.860 1.00 0.00 C ATOM 246 CG MET A 16 -6.959 4.058 9.046 1.00 0.00 C ATOM 247 SD MET A 16 -6.366 2.324 9.025 1.00 0.00 S ATOM 248 CE MET A 16 -7.990 1.486 9.289 1.00 0.00 C ATOM 0 HA MET A 16 -4.450 4.953 7.318 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.130 5.093 9.550 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.475 6.159 9.192 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.467 4.210 9.998 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.713 4.147 8.264 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.903 0.774 10.110 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.748 2.230 9.533 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.279 0.958 8.380 1.00 0.00 H new ATOM 258 N ASP A 17 -7.308 6.291 6.249 1.00 0.00 N ATOM 259 CA ASP A 17 -8.409 6.343 5.277 1.00 0.00 C ATOM 260 C ASP A 17 -8.004 6.101 3.816 1.00 0.00 C ATOM 261 O ASP A 17 -8.632 5.309 3.125 1.00 0.00 O ATOM 262 CB ASP A 17 -9.199 7.683 5.429 1.00 0.00 C ATOM 263 CG ASP A 17 -10.596 7.649 4.787 1.00 0.00 C ATOM 264 OD1 ASP A 17 -11.419 6.792 5.205 1.00 0.00 O ATOM 265 OD2 ASP A 17 -10.847 8.482 3.875 1.00 0.00 O ATOM 0 H ASP A 17 -7.296 7.126 6.835 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.054 5.499 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.301 7.917 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.621 8.489 4.978 1.00 0.00 H new ATOM 270 N TYR A 18 -6.893 6.730 3.335 1.00 0.00 N ATOM 271 CA TYR A 18 -6.308 6.514 2.007 1.00 0.00 C ATOM 272 C TYR A 18 -5.647 5.130 1.832 1.00 0.00 C ATOM 273 O TYR A 18 -5.969 4.389 0.903 1.00 0.00 O ATOM 274 CB TYR A 18 -5.303 7.674 1.698 1.00 0.00 C ATOM 275 CG TYR A 18 -4.703 7.635 0.304 1.00 0.00 C ATOM 276 CD1 TYR A 18 -3.330 7.608 0.156 1.00 0.00 C ATOM 277 CD2 TYR A 18 -5.494 7.567 -0.832 1.00 0.00 C ATOM 278 CE1 TYR A 18 -2.749 7.495 -1.092 1.00 0.00 C ATOM 279 CE2 TYR A 18 -4.917 7.452 -2.085 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.544 7.410 -2.216 1.00 0.00 C ATOM 281 OH TYR A 18 -2.963 7.279 -3.496 1.00 0.00 O ATOM 0 H TYR A 18 -6.377 7.416 3.886 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.124 6.524 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.815 8.627 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.495 7.641 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.700 7.676 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.569 7.604 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.673 7.473 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.543 7.395 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.670 7.232 -4.173 1.00 0.00 H new ATOM 291 N PHE A 19 -4.730 4.739 2.766 1.00 0.00 N ATOM 292 CA PHE A 19 -3.988 3.469 2.747 1.00 0.00 C ATOM 293 C PHE A 19 -4.858 2.255 3.057 1.00 0.00 C ATOM 294 O PHE A 19 -4.744 1.219 2.405 1.00 0.00 O ATOM 295 CB PHE A 19 -2.721 3.531 3.634 1.00 0.00 C ATOM 296 CG PHE A 19 -1.866 4.694 3.194 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.263 4.706 1.948 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.695 5.789 4.022 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.535 5.800 1.524 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.993 6.899 3.596 1.00 0.00 C ATOM 301 CZ PHE A 19 -0.413 6.906 2.342 1.00 0.00 C ATOM 0 H PHE A 19 -4.490 5.323 3.567 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.654 3.329 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.001 3.645 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.160 2.600 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.363 3.849 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.117 5.775 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.061 5.791 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.897 7.760 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.134 7.773 2.003 1.00 0.00 H new ATOM 311 N SER A 20 -5.846 2.387 3.995 1.00 0.00 N ATOM 312 CA SER A 20 -6.866 1.375 4.285 1.00 0.00 C ATOM 313 C SER A 20 -7.912 1.259 3.191 1.00 0.00 C ATOM 314 O SER A 20 -8.362 0.156 2.951 1.00 0.00 O ATOM 315 CB SER A 20 -7.518 1.393 5.702 1.00 0.00 C ATOM 316 OG SER A 20 -8.225 2.595 5.995 1.00 0.00 O ATOM 0 H SER A 20 -5.941 3.223 4.572 1.00 0.00 H new ATOM 0 HA SER A 20 -6.267 0.464 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.203 0.550 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.740 1.248 6.452 1.00 0.00 H new ATOM 0 HG SER A 20 -7.748 3.358 5.606 1.00 0.00 H new ATOM 322 N GLU A 21 -8.278 2.348 2.447 1.00 0.00 N ATOM 323 CA GLU A 21 -9.099 2.295 1.229 1.00 0.00 C ATOM 324 C GLU A 21 -8.370 1.683 0.027 1.00 0.00 C ATOM 325 O GLU A 21 -8.909 0.775 -0.605 1.00 0.00 O ATOM 326 CB GLU A 21 -9.714 3.668 0.859 1.00 0.00 C ATOM 327 CG GLU A 21 -10.756 3.644 -0.277 1.00 0.00 C ATOM 328 CD GLU A 21 -11.353 5.041 -0.449 1.00 0.00 C ATOM 329 OE1 GLU A 21 -11.998 5.533 0.516 1.00 0.00 O ATOM 330 OE2 GLU A 21 -11.173 5.634 -1.546 1.00 0.00 O ATOM 0 H GLU A 21 -7.997 3.297 2.695 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.919 1.622 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.182 4.089 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.907 4.343 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.289 3.319 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.543 2.926 -0.048 1.00 0.00 H new ATOM 337 N GLU A 22 -7.104 2.136 -0.281 1.00 0.00 N ATOM 338 CA GLU A 22 -6.253 1.640 -1.381 1.00 0.00 C ATOM 339 C GLU A 22 -5.854 0.175 -1.234 1.00 0.00 C ATOM 340 O GLU A 22 -5.943 -0.608 -2.177 1.00 0.00 O ATOM 341 CB GLU A 22 -4.985 2.528 -1.578 1.00 0.00 C ATOM 342 CG GLU A 22 -4.172 2.278 -2.870 1.00 0.00 C ATOM 343 CD GLU A 22 -5.039 2.463 -4.114 1.00 0.00 C ATOM 344 OE1 GLU A 22 -5.583 3.583 -4.299 1.00 0.00 O ATOM 345 OE2 GLU A 22 -5.164 1.484 -4.901 1.00 0.00 O ATOM 0 H GLU A 22 -6.653 2.877 0.256 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.874 1.709 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.293 3.573 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.325 2.378 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.326 2.964 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.763 1.268 -2.856 1.00 0.00 H new ATOM 352 N PHE A 23 -5.504 -0.245 0.009 1.00 0.00 N ATOM 353 CA PHE A 23 -5.316 -1.633 0.383 1.00 0.00 C ATOM 354 C PHE A 23 -6.635 -2.406 0.500 1.00 0.00 C ATOM 355 O PHE A 23 -6.771 -3.414 -0.163 1.00 0.00 O ATOM 356 CB PHE A 23 -4.508 -1.687 1.708 1.00 0.00 C ATOM 357 CG PHE A 23 -4.175 -3.059 2.226 1.00 0.00 C ATOM 358 CD1 PHE A 23 -4.405 -3.344 3.554 1.00 0.00 C ATOM 359 CD2 PHE A 23 -3.643 -4.038 1.413 1.00 0.00 C ATOM 360 CE1 PHE A 23 -4.047 -4.556 4.081 1.00 0.00 C ATOM 361 CE2 PHE A 23 -3.324 -5.273 1.929 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.545 -5.542 3.262 1.00 0.00 C ATOM 0 H PHE A 23 -5.346 0.402 0.782 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.760 -2.129 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.577 -1.140 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.073 -1.158 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.873 -2.604 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.476 -3.834 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.159 -4.738 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.900 -6.032 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.326 -6.521 3.662 1.00 0.00 H new ATOM 372 N ARG A 24 -7.684 -1.984 1.262 1.00 0.00 N ATOM 373 CA ARG A 24 -8.937 -2.752 1.407 1.00 0.00 C ATOM 374 C ARG A 24 -9.790 -2.880 0.157 1.00 0.00 C ATOM 375 O ARG A 24 -10.223 -3.983 -0.132 1.00 0.00 O ATOM 376 CB ARG A 24 -9.825 -2.317 2.601 1.00 0.00 C ATOM 377 CG ARG A 24 -11.031 -3.239 2.955 1.00 0.00 C ATOM 378 CD ARG A 24 -12.262 -2.478 3.501 1.00 0.00 C ATOM 379 NE ARG A 24 -12.619 -1.278 2.660 1.00 0.00 N ATOM 380 CZ ARG A 24 -13.301 -1.322 1.473 1.00 0.00 C ATOM 381 NH1 ARG A 24 -13.719 -2.500 0.931 1.00 0.00 N ATOM 382 NH2 ARG A 24 -13.559 -0.150 0.819 1.00 0.00 N ATOM 0 H ARG A 24 -7.677 -1.108 1.785 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.540 -3.745 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.190 -2.234 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.211 -1.319 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.325 -3.794 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.711 -3.971 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.115 -3.155 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.062 -2.155 4.523 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.330 -0.362 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.526 -3.379 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.225 -2.503 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.245 0.735 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.065 -0.161 -0.066 1.00 0.00 H new ATOM 396 N ASN A 25 -10.035 -1.821 -0.678 1.00 0.00 N ATOM 397 CA ASN A 25 -10.801 -1.917 -1.930 1.00 0.00 C ATOM 398 C ASN A 25 -10.212 -2.885 -2.976 1.00 0.00 C ATOM 399 O ASN A 25 -10.910 -3.773 -3.443 1.00 0.00 O ATOM 400 CB ASN A 25 -11.032 -0.510 -2.554 1.00 0.00 C ATOM 401 CG ASN A 25 -12.417 -0.423 -3.205 1.00 0.00 C ATOM 402 OD1 ASN A 25 -13.434 0.022 -2.426 1.00 0.00 O flip ATOM 403 ND2 ASN A 25 -12.608 -0.724 -4.383 1.00 0.00 N flip ATOM 0 H ASN A 25 -9.697 -0.878 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.758 -2.350 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.939 0.254 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.262 -0.307 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.833 -1.057 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.541 -0.640 -4.786 1.00 0.00 H new ATOM 410 N ASP A 26 -8.890 -2.763 -3.279 1.00 0.00 N ATOM 411 CA ASP A 26 -8.097 -3.608 -4.190 1.00 0.00 C ATOM 412 C ASP A 26 -7.697 -4.972 -3.635 1.00 0.00 C ATOM 413 O ASP A 26 -7.677 -5.953 -4.377 1.00 0.00 O ATOM 414 CB ASP A 26 -6.829 -2.861 -4.685 1.00 0.00 C ATOM 415 CG ASP A 26 -7.196 -1.667 -5.576 1.00 0.00 C ATOM 416 OD1 ASP A 26 -6.963 -1.764 -6.810 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.697 -0.645 -5.037 1.00 0.00 O ATOM 0 H ASP A 26 -8.323 -2.024 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.774 -3.809 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.251 -2.514 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.193 -3.550 -5.241 1.00 0.00 H new ATOM 422 N PHE A 27 -7.423 -5.105 -2.303 1.00 0.00 N ATOM 423 CA PHE A 27 -7.149 -6.381 -1.608 1.00 0.00 C ATOM 424 C PHE A 27 -8.407 -7.208 -1.478 1.00 0.00 C ATOM 425 O PHE A 27 -8.340 -8.397 -1.724 1.00 0.00 O ATOM 426 CB PHE A 27 -6.493 -6.212 -0.194 1.00 0.00 C ATOM 427 CG PHE A 27 -6.070 -7.417 0.645 1.00 0.00 C ATOM 428 CD1 PHE A 27 -6.943 -7.967 1.571 1.00 0.00 C ATOM 429 CD2 PHE A 27 -4.744 -7.813 0.694 1.00 0.00 C ATOM 430 CE1 PHE A 27 -6.501 -8.838 2.546 1.00 0.00 C ATOM 431 CE2 PHE A 27 -4.276 -8.628 1.713 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.162 -9.155 2.628 1.00 0.00 C ATOM 0 H PHE A 27 -7.388 -4.302 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.422 -6.895 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.605 -5.595 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.192 -5.636 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.991 -7.708 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.062 -7.481 -0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.203 -9.270 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.222 -8.849 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.808 -9.814 3.407 1.00 0.00 H new ATOM 442 N LEU A 28 -9.591 -6.596 -1.124 1.00 0.00 N ATOM 443 CA LEU A 28 -10.904 -7.250 -0.975 1.00 0.00 C ATOM 444 C LEU A 28 -11.427 -7.745 -2.284 1.00 0.00 C ATOM 445 O LEU A 28 -11.932 -8.855 -2.351 1.00 0.00 O ATOM 446 CB LEU A 28 -12.013 -6.452 -0.247 1.00 0.00 C ATOM 447 CG LEU A 28 -12.045 -6.707 1.271 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.288 -6.061 1.873 1.00 0.00 C ATOM 449 CD2 LEU A 28 -10.743 -6.495 2.059 1.00 0.00 C ATOM 0 H LEU A 28 -9.636 -5.595 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.672 -8.079 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.864 -5.387 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.981 -6.715 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.124 -7.788 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.308 -6.243 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.266 -4.987 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.179 -6.490 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.916 -6.712 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.972 -7.162 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.416 -5.461 1.950 1.00 0.00 H new ATOM 461 N GLU A 29 -11.205 -6.944 -3.359 1.00 0.00 N ATOM 462 CA GLU A 29 -11.453 -7.203 -4.775 1.00 0.00 C ATOM 463 C GLU A 29 -10.773 -8.480 -5.278 1.00 0.00 C ATOM 464 O GLU A 29 -11.430 -9.361 -5.824 1.00 0.00 O ATOM 465 CB GLU A 29 -10.951 -5.938 -5.538 1.00 0.00 C ATOM 466 CG GLU A 29 -10.238 -6.088 -6.890 1.00 0.00 C ATOM 467 CD GLU A 29 -10.034 -4.722 -7.543 1.00 0.00 C ATOM 468 OE1 GLU A 29 -11.058 -4.064 -7.875 1.00 0.00 O ATOM 469 OE2 GLU A 29 -8.855 -4.319 -7.724 1.00 0.00 O ATOM 0 H GLU A 29 -10.809 -6.013 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.515 -7.378 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.814 -5.292 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.273 -5.406 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.274 -6.577 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.825 -6.728 -7.548 1.00 0.00 H new ATOM 476 N LEU A 30 -9.441 -8.615 -5.020 1.00 0.00 N ATOM 477 CA LEU A 30 -8.567 -9.738 -5.350 1.00 0.00 C ATOM 478 C LEU A 30 -8.731 -10.954 -4.447 1.00 0.00 C ATOM 479 O LEU A 30 -8.635 -12.088 -4.907 1.00 0.00 O ATOM 480 CB LEU A 30 -7.124 -9.245 -5.537 1.00 0.00 C ATOM 481 CG LEU A 30 -6.004 -9.756 -4.625 1.00 0.00 C ATOM 482 CD1 LEU A 30 -4.982 -8.631 -4.563 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.350 -11.039 -5.154 1.00 0.00 C ATOM 0 H LEU A 30 -8.928 -7.876 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.889 -10.140 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.835 -9.477 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.141 -8.159 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.404 -10.014 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.150 -8.930 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.612 -8.420 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.450 -7.736 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.564 -11.356 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.101 -11.825 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.919 -10.849 -6.137 1.00 0.00 H new ATOM 495 N LEU A 31 -9.027 -10.729 -3.131 1.00 0.00 N ATOM 496 CA LEU A 31 -9.374 -11.656 -2.049 1.00 0.00 C ATOM 497 C LEU A 31 -10.634 -12.414 -2.412 1.00 0.00 C ATOM 498 O LEU A 31 -10.609 -13.636 -2.462 1.00 0.00 O ATOM 499 CB LEU A 31 -9.552 -10.852 -0.733 1.00 0.00 C ATOM 500 CG LEU A 31 -9.804 -11.551 0.617 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.064 -10.470 1.704 1.00 0.00 C ATOM 502 CD2 LEU A 31 -8.599 -12.437 0.977 1.00 0.00 C ATOM 0 H LEU A 31 -9.022 -9.772 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.577 -12.385 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.655 -10.244 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.383 -10.165 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.681 -12.195 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.244 -10.955 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.194 -9.818 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.937 -9.878 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.782 -12.929 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.457 -13.190 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.703 -11.820 1.052 1.00 0.00 H new ATOM 514 N ARG A 32 -11.705 -11.671 -2.822 1.00 0.00 N ATOM 515 CA ARG A 32 -12.954 -12.134 -3.392 1.00 0.00 C ATOM 516 C ARG A 32 -12.831 -12.902 -4.712 1.00 0.00 C ATOM 517 O ARG A 32 -13.505 -13.918 -4.861 1.00 0.00 O ATOM 518 CB ARG A 32 -13.905 -10.922 -3.534 1.00 0.00 C ATOM 519 CG ARG A 32 -14.707 -10.639 -2.250 1.00 0.00 C ATOM 520 CD ARG A 32 -15.232 -9.192 -2.134 1.00 0.00 C ATOM 521 NE ARG A 32 -15.862 -8.726 -3.413 1.00 0.00 N ATOM 522 CZ ARG A 32 -16.259 -7.428 -3.611 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.068 -6.483 -2.644 1.00 0.00 N ATOM 524 NH2 ARG A 32 -16.850 -7.078 -4.790 1.00 0.00 N ATOM 0 H ARG A 32 -11.689 -10.654 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.358 -12.875 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.323 -10.038 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.597 -11.103 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.553 -11.325 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.077 -10.855 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.962 -9.133 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.410 -8.527 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.001 -9.401 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.625 -6.739 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.368 -5.521 -2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.994 -7.779 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.148 -6.115 -4.945 1.00 0.00 H new ATOM 538 N ARG A 33 -12.012 -12.488 -5.743 1.00 0.00 N ATOM 539 CA ARG A 33 -11.748 -13.348 -6.901 1.00 0.00 C ATOM 540 C ARG A 33 -10.852 -14.520 -6.728 1.00 0.00 C ATOM 541 O ARG A 33 -11.167 -15.609 -7.189 1.00 0.00 O ATOM 542 CB ARG A 33 -11.356 -12.729 -8.259 1.00 0.00 C ATOM 543 CG ARG A 33 -10.650 -11.376 -8.255 1.00 0.00 C ATOM 544 CD ARG A 33 -10.396 -10.850 -9.676 1.00 0.00 C ATOM 545 NE ARG A 33 -11.698 -10.596 -10.389 1.00 0.00 N ATOM 546 CZ ARG A 33 -12.423 -9.437 -10.281 1.00 0.00 C ATOM 547 NH1 ARG A 33 -11.993 -8.405 -9.501 1.00 0.00 N ATOM 548 NH2 ARG A 33 -13.604 -9.324 -10.960 1.00 0.00 N ATOM 0 H ARG A 33 -11.545 -11.582 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.793 -13.655 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.711 -13.440 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.263 -12.630 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.254 -10.654 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.700 -11.465 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.815 -9.929 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.803 -11.573 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.064 -11.334 -10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.117 -8.487 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.547 -7.551 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.936 -10.096 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.153 -8.468 -10.889 1.00 0.00 H new ATOM 562 N ARG A 34 -9.624 -14.300 -6.205 1.00 0.00 N ATOM 563 CA ARG A 34 -8.589 -15.305 -6.295 1.00 0.00 C ATOM 564 C ARG A 34 -8.677 -16.391 -5.211 1.00 0.00 C ATOM 565 O ARG A 34 -8.293 -17.540 -5.404 1.00 0.00 O ATOM 566 CB ARG A 34 -7.167 -14.676 -6.325 1.00 0.00 C ATOM 567 CG ARG A 34 -6.967 -13.545 -7.359 1.00 0.00 C ATOM 568 CD ARG A 34 -7.223 -13.936 -8.824 1.00 0.00 C ATOM 569 NE ARG A 34 -7.154 -12.700 -9.685 1.00 0.00 N ATOM 570 CZ ARG A 34 -5.992 -12.142 -10.148 1.00 0.00 C ATOM 571 NH1 ARG A 34 -4.780 -12.703 -9.876 1.00 0.00 N ATOM 572 NH2 ARG A 34 -6.055 -11.003 -10.898 1.00 0.00 N ATOM 0 H ARG A 34 -9.347 -13.443 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.768 -15.805 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.940 -14.284 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.443 -15.465 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.629 -12.719 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.946 -13.174 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.483 -14.665 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.201 -14.408 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.032 -12.249 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.726 -13.555 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.927 -12.271 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.959 -10.579 -11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.198 -10.576 -11.250 1.00 0.00 H new ATOM 586 N PHE A 35 -9.190 -15.989 -4.023 1.00 0.00 N ATOM 587 CA PHE A 35 -9.322 -16.817 -2.839 1.00 0.00 C ATOM 588 C PHE A 35 -10.815 -17.090 -2.536 1.00 0.00 C ATOM 589 O PHE A 35 -11.164 -18.163 -2.036 1.00 0.00 O ATOM 590 CB PHE A 35 -8.532 -16.173 -1.636 1.00 0.00 C ATOM 591 CG PHE A 35 -7.070 -15.920 -1.954 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.729 -14.749 -2.607 1.00 0.00 C ATOM 593 CD2 PHE A 35 -6.031 -16.754 -1.571 1.00 0.00 C ATOM 594 CE1 PHE A 35 -5.442 -14.461 -2.967 1.00 0.00 C ATOM 595 CE2 PHE A 35 -4.721 -16.441 -1.884 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.417 -15.303 -2.598 1.00 0.00 C ATOM 0 H PHE A 35 -9.531 -15.039 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.869 -17.793 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.006 -15.231 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.601 -16.831 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.507 -14.037 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.247 -17.659 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.229 -13.572 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.925 -17.098 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.395 -15.076 -2.863 1.00 0.00 H new ATOM 606 N GLY A 36 -11.759 -16.106 -2.788 1.00 0.00 N ATOM 607 CA GLY A 36 -13.187 -16.125 -2.456 1.00 0.00 C ATOM 608 C GLY A 36 -13.361 -15.790 -1.032 1.00 0.00 C ATOM 609 O GLY A 36 -13.245 -14.643 -0.610 1.00 0.00 O ATOM 0 H GLY A 36 -11.496 -15.239 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.726 -15.410 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.607 -17.109 -2.664 1.00 0.00 H new ATOM 613 N THR A 37 -13.559 -16.864 -0.243 1.00 0.00 N ATOM 614 CA THR A 37 -13.471 -16.819 1.195 1.00 0.00 C ATOM 615 C THR A 37 -12.635 -18.064 1.463 1.00 0.00 C ATOM 616 O THR A 37 -13.130 -19.191 1.386 1.00 0.00 O ATOM 617 CB THR A 37 -14.842 -16.902 1.906 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.651 -17.980 1.436 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.674 -15.632 1.697 1.00 0.00 C ATOM 0 H THR A 37 -13.786 -17.789 -0.609 1.00 0.00 H new ATOM 0 HA THR A 37 -13.057 -15.883 1.571 1.00 0.00 H new ATOM 0 HB THR A 37 -14.589 -17.046 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.087 -18.764 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.629 -15.733 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.134 -14.774 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.851 -15.484 0.632 1.00 0.00 H new ATOM 627 N LYS A 38 -11.366 -17.867 1.856 1.00 0.00 N ATOM 628 CA LYS A 38 -10.460 -18.954 2.187 1.00 0.00 C ATOM 629 C LYS A 38 -9.478 -18.487 3.221 1.00 0.00 C ATOM 630 O LYS A 38 -8.976 -17.371 3.154 1.00 0.00 O ATOM 631 CB LYS A 38 -9.654 -19.481 0.976 1.00 0.00 C ATOM 632 CG LYS A 38 -9.090 -20.901 1.200 1.00 0.00 C ATOM 633 CD LYS A 38 -7.673 -21.053 0.648 1.00 0.00 C ATOM 634 CE LYS A 38 -7.574 -20.906 -0.878 1.00 0.00 C ATOM 635 NZ LYS A 38 -6.169 -21.033 -1.328 1.00 0.00 N ATOM 0 H LYS A 38 -10.948 -16.941 1.950 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.086 -19.769 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.294 -19.485 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.831 -18.797 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.089 -21.125 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.745 -21.630 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.030 -20.307 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.287 -22.031 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.186 -21.667 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.972 -19.937 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.125 -20.931 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.593 -20.291 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.801 -21.967 -1.057 1.00 0.00 H new ATOM 649 N ARG A 39 -9.114 -19.373 4.178 1.00 0.00 N ATOM 650 CA ARG A 39 -8.086 -19.190 5.197 1.00 0.00 C ATOM 651 C ARG A 39 -6.659 -19.199 4.604 1.00 0.00 C ATOM 652 O ARG A 39 -6.150 -20.192 4.090 1.00 0.00 O ATOM 653 CB ARG A 39 -8.283 -20.179 6.384 1.00 0.00 C ATOM 654 CG ARG A 39 -7.931 -21.664 6.168 1.00 0.00 C ATOM 655 CD ARG A 39 -8.808 -22.447 5.170 1.00 0.00 C ATOM 656 NE ARG A 39 -8.369 -23.889 5.148 1.00 0.00 N ATOM 657 CZ ARG A 39 -7.370 -24.374 4.344 1.00 0.00 C ATOM 658 NH1 ARG A 39 -6.695 -23.554 3.487 1.00 0.00 N ATOM 659 NH2 ARG A 39 -7.047 -25.699 4.405 1.00 0.00 N ATOM 0 H ARG A 39 -9.565 -20.285 4.253 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.206 -18.190 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.687 -19.815 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.328 -20.127 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.896 -21.722 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.980 -22.169 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.857 -22.378 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.722 -22.013 4.174 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.844 -24.544 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.931 -22.563 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.955 -23.932 2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.547 -26.317 5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.306 -26.071 3.812 1.00 0.00 H new ATOM 673 N VAL A 40 -6.010 -18.017 4.601 1.00 0.00 N ATOM 674 CA VAL A 40 -4.724 -17.789 3.964 1.00 0.00 C ATOM 675 C VAL A 40 -4.085 -16.706 4.776 1.00 0.00 C ATOM 676 O VAL A 40 -4.802 -15.946 5.430 1.00 0.00 O ATOM 677 CB VAL A 40 -4.887 -17.422 2.478 1.00 0.00 C ATOM 678 CG1 VAL A 40 -5.879 -16.255 2.242 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.542 -17.183 1.751 1.00 0.00 C ATOM 0 H VAL A 40 -6.385 -17.184 5.055 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.099 -18.682 3.947 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.330 -18.308 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.948 -16.046 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.863 -16.531 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.525 -15.366 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.732 -16.929 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.009 -16.364 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.937 -18.088 1.799 1.00 0.00 H new ATOM 689 N HIS A 41 -2.720 -16.606 4.784 1.00 0.00 N ATOM 690 CA HIS A 41 -1.979 -15.574 5.495 1.00 0.00 C ATOM 691 C HIS A 41 -1.858 -14.354 4.604 1.00 0.00 C ATOM 692 O HIS A 41 -1.517 -14.364 3.418 1.00 0.00 O ATOM 693 CB HIS A 41 -0.587 -15.987 6.085 1.00 0.00 C ATOM 694 CG HIS A 41 0.119 -15.007 7.047 1.00 0.00 C ATOM 695 ND1 HIS A 41 -0.405 -13.853 7.607 1.00 0.00 N ATOM 696 CD2 HIS A 41 1.367 -15.106 7.575 1.00 0.00 C ATOM 697 CE1 HIS A 41 0.557 -13.287 8.374 1.00 0.00 C ATOM 698 NE2 HIS A 41 1.637 -14.026 8.408 1.00 0.00 N ATOM 0 H HIS A 41 -2.118 -17.260 4.283 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.565 -15.360 6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.716 -16.934 6.610 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.086 -16.175 5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.056 -15.914 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.447 -12.346 8.892 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.493 -13.848 8.933 1.00 0.00 H new ATOM 706 N ASN A 42 -2.166 -13.217 5.242 1.00 0.00 N ATOM 707 CA ASN A 42 -2.192 -11.859 4.704 1.00 0.00 C ATOM 708 C ASN A 42 -0.918 -11.373 4.009 1.00 0.00 C ATOM 709 O ASN A 42 -0.946 -10.584 3.071 1.00 0.00 O ATOM 710 CB ASN A 42 -2.492 -10.941 5.892 1.00 0.00 C ATOM 711 CG ASN A 42 -3.010 -9.540 5.541 1.00 0.00 C ATOM 712 OD1 ASN A 42 -4.126 -9.230 5.941 1.00 0.00 O ATOM 713 ND2 ASN A 42 -2.210 -8.686 4.863 1.00 0.00 N ATOM 0 H ASN A 42 -2.424 -13.229 6.229 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.942 -11.845 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.229 -11.431 6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.582 -10.834 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.529 -7.738 4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.288 -8.990 4.550 1.00 0.00 H new ATOM 720 N ASN A 43 0.258 -11.875 4.465 1.00 0.00 N ATOM 721 CA ASN A 43 1.576 -11.605 3.914 1.00 0.00 C ATOM 722 C ASN A 43 1.722 -12.229 2.514 1.00 0.00 C ATOM 723 O ASN A 43 2.386 -11.683 1.653 1.00 0.00 O ATOM 724 CB ASN A 43 2.683 -11.980 4.941 1.00 0.00 C ATOM 725 CG ASN A 43 3.733 -10.873 5.142 1.00 0.00 C ATOM 726 OD1 ASN A 43 4.735 -10.783 4.432 1.00 0.00 O ATOM 727 ND2 ASN A 43 3.502 -9.975 6.145 1.00 0.00 N ATOM 0 H ASN A 43 0.296 -12.507 5.265 1.00 0.00 H new ATOM 0 HA ASN A 43 1.705 -10.536 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.217 -12.206 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.184 -12.889 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.164 -9.217 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.668 -10.062 6.725 1.00 0.00 H new ATOM 734 N ILE A 44 0.981 -13.340 2.212 1.00 0.00 N ATOM 735 CA ILE A 44 0.841 -13.932 0.870 1.00 0.00 C ATOM 736 C ILE A 44 -0.087 -13.078 -0.007 1.00 0.00 C ATOM 737 O ILE A 44 0.215 -12.781 -1.159 1.00 0.00 O ATOM 738 CB ILE A 44 0.355 -15.373 0.927 1.00 0.00 C ATOM 739 CG1 ILE A 44 1.467 -16.219 1.577 1.00 0.00 C ATOM 740 CG2 ILE A 44 -0.044 -15.958 -0.456 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.889 -17.478 2.199 1.00 0.00 C ATOM 0 H ILE A 44 0.457 -13.851 2.923 1.00 0.00 H new ATOM 0 HA ILE A 44 1.833 -13.945 0.418 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.561 -15.398 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.212 -16.487 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.978 -15.632 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.379 -16.988 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.850 -15.363 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.818 -15.935 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.691 -18.061 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.162 -17.205 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.399 -18.073 1.428 1.00 0.00 H new ATOM 753 N VAL A 45 -1.239 -12.637 0.578 1.00 0.00 N ATOM 754 CA VAL A 45 -2.283 -11.805 -0.063 1.00 0.00 C ATOM 755 C VAL A 45 -1.844 -10.333 -0.332 1.00 0.00 C ATOM 756 O VAL A 45 -2.176 -9.783 -1.376 1.00 0.00 O ATOM 757 CB VAL A 45 -3.662 -11.914 0.604 1.00 0.00 C ATOM 758 CG1 VAL A 45 -3.949 -13.376 1.014 1.00 0.00 C ATOM 759 CG2 VAL A 45 -4.773 -11.467 -0.380 1.00 0.00 C ATOM 0 H VAL A 45 -1.467 -12.864 1.546 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.409 -12.248 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.657 -11.271 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.930 -13.436 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.932 -14.012 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.188 -13.713 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.745 -11.550 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.602 -10.432 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.754 -12.105 -1.264 1.00 0.00 H new ATOM 769 N TYR A 46 -1.021 -9.672 0.563 1.00 0.00 N ATOM 770 CA TYR A 46 -0.380 -8.324 0.439 1.00 0.00 C ATOM 771 C TYR A 46 0.587 -8.282 -0.728 1.00 0.00 C ATOM 772 O TYR A 46 0.457 -7.443 -1.605 1.00 0.00 O ATOM 773 CB TYR A 46 0.354 -7.837 1.751 1.00 0.00 C ATOM 774 CG TYR A 46 0.202 -6.350 2.103 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.068 -6.054 3.429 1.00 0.00 C ATOM 776 CD2 TYR A 46 0.276 -5.256 1.238 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.583 -4.832 3.785 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.076 -3.985 1.650 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.584 -3.786 2.906 1.00 0.00 C ATOM 780 OH TYR A 46 -1.093 -2.539 3.314 1.00 0.00 O ATOM 0 H TYR A 46 -0.777 -10.109 1.452 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.205 -7.634 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.017 -8.427 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.417 -8.058 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.129 -6.793 4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.616 -5.407 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.993 -4.696 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.050 -3.147 0.980 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.061 -2.516 3.163 1.00 0.00 H new ATOM 790 N ASN A 47 1.517 -9.269 -0.802 1.00 0.00 N ATOM 791 CA ASN A 47 2.504 -9.542 -1.848 1.00 0.00 C ATOM 792 C ASN A 47 1.861 -9.895 -3.182 1.00 0.00 C ATOM 793 O ASN A 47 2.408 -9.626 -4.248 1.00 0.00 O ATOM 794 CB ASN A 47 3.449 -10.667 -1.350 1.00 0.00 C ATOM 795 CG ASN A 47 4.426 -9.961 -0.423 1.00 0.00 C ATOM 796 OD1 ASN A 47 5.438 -9.422 -0.868 1.00 0.00 O ATOM 797 ND2 ASN A 47 4.017 -9.824 0.860 1.00 0.00 N ATOM 0 H ASN A 47 1.591 -9.954 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 47 3.078 -8.635 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.896 -11.446 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.966 -11.147 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.557 -9.251 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.169 -10.293 1.178 1.00 0.00 H new ATOM 804 N GLU A 48 0.624 -10.459 -3.126 1.00 0.00 N ATOM 805 CA GLU A 48 -0.228 -10.726 -4.302 1.00 0.00 C ATOM 806 C GLU A 48 -0.937 -9.456 -4.821 1.00 0.00 C ATOM 807 O GLU A 48 -1.036 -9.217 -6.021 1.00 0.00 O ATOM 808 CB GLU A 48 -1.242 -11.880 -4.069 1.00 0.00 C ATOM 809 CG GLU A 48 -1.971 -12.297 -5.363 1.00 0.00 C ATOM 810 CD GLU A 48 -2.484 -13.736 -5.314 1.00 0.00 C ATOM 811 OE1 GLU A 48 -1.675 -14.647 -4.993 1.00 0.00 O ATOM 812 OE2 GLU A 48 -3.688 -13.946 -5.624 1.00 0.00 O ATOM 0 H GLU A 48 0.191 -10.742 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 48 0.456 -11.059 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.718 -12.742 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.977 -11.569 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.810 -11.622 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.293 -12.186 -6.209 1.00 0.00 H new ATOM 819 N TYR A 49 -1.376 -8.591 -3.869 1.00 0.00 N ATOM 820 CA TYR A 49 -1.996 -7.270 -4.011 1.00 0.00 C ATOM 821 C TYR A 49 -1.064 -6.205 -4.613 1.00 0.00 C ATOM 822 O TYR A 49 -1.458 -5.460 -5.501 1.00 0.00 O ATOM 823 CB TYR A 49 -2.691 -6.924 -2.626 1.00 0.00 C ATOM 824 CG TYR A 49 -2.787 -5.479 -2.246 1.00 0.00 C ATOM 825 CD1 TYR A 49 -1.704 -4.935 -1.606 1.00 0.00 C ATOM 826 CD2 TYR A 49 -3.814 -4.657 -2.647 1.00 0.00 C ATOM 827 CE1 TYR A 49 -1.526 -3.582 -1.519 1.00 0.00 C ATOM 828 CE2 TYR A 49 -3.659 -3.289 -2.512 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.503 -2.744 -1.988 1.00 0.00 C ATOM 830 OH TYR A 49 -2.334 -1.347 -1.960 1.00 0.00 O ATOM 0 H TYR A 49 -1.290 -8.840 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.776 -7.282 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.700 -7.336 -2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.148 -7.445 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.972 -5.592 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.723 -5.071 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.624 -3.178 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.459 -2.633 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.576 -1.098 -2.529 1.00 0.00 H new ATOM 840 N ILE A 50 0.194 -6.103 -4.149 1.00 0.00 N ATOM 841 CA ILE A 50 1.137 -5.058 -4.578 1.00 0.00 C ATOM 842 C ILE A 50 1.827 -5.162 -5.912 1.00 0.00 C ATOM 843 O ILE A 50 2.275 -4.149 -6.442 1.00 0.00 O ATOM 844 CB ILE A 50 2.202 -4.702 -3.578 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.930 -5.919 -2.969 1.00 0.00 C ATOM 846 CG2 ILE A 50 1.525 -3.874 -2.499 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.791 -5.672 -1.733 1.00 0.00 C ATOM 0 H ILE A 50 0.586 -6.747 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 50 0.382 -4.279 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 50 2.990 -4.147 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.180 -6.668 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.565 -6.354 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.259 -3.589 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.095 -2.977 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.734 -4.461 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.243 -6.610 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.576 -4.955 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.170 -5.274 -0.930 1.00 0.00 H new ATOM 859 N SER A 51 1.934 -6.349 -6.541 1.00 0.00 N ATOM 860 CA SER A 51 2.532 -6.540 -7.883 1.00 0.00 C ATOM 861 C SER A 51 1.609 -6.033 -9.041 1.00 0.00 C ATOM 862 O SER A 51 1.300 -6.733 -10.002 1.00 0.00 O ATOM 863 CB SER A 51 2.948 -8.022 -8.116 1.00 0.00 C ATOM 864 OG SER A 51 3.786 -8.174 -9.266 1.00 0.00 O ATOM 0 H SER A 51 1.602 -7.219 -6.126 1.00 0.00 H new ATOM 0 HA SER A 51 3.430 -5.923 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.472 -8.393 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.054 -8.634 -8.237 1.00 0.00 H new ATOM 0 HG SER A 51 3.311 -7.855 -10.061 1.00 0.00 H new ATOM 870 N HIS A 52 1.146 -4.782 -8.859 1.00 0.00 N ATOM 871 CA HIS A 52 0.148 -3.986 -9.530 1.00 0.00 C ATOM 872 C HIS A 52 0.632 -2.535 -9.339 1.00 0.00 C ATOM 873 O HIS A 52 1.777 -2.301 -8.953 1.00 0.00 O ATOM 874 CB HIS A 52 -1.195 -4.190 -8.739 1.00 0.00 C ATOM 875 CG HIS A 52 -2.041 -5.434 -8.987 1.00 0.00 C ATOM 876 ND1 HIS A 52 -3.074 -5.458 -9.907 1.00 0.00 N ATOM 877 CD2 HIS A 52 -2.197 -6.576 -8.244 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.801 -6.581 -9.663 1.00 0.00 C ATOM 879 NE2 HIS A 52 -3.319 -7.281 -8.662 1.00 0.00 N ATOM 0 H HIS A 52 1.549 -4.231 -8.101 1.00 0.00 H new ATOM 0 HA HIS A 52 0.002 -4.236 -10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.953 -4.169 -7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.825 -3.323 -8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.539 -6.885 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.676 -6.865 -10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.687 -8.151 -8.276 1.00 0.00 H new ATOM 887 N ARG A 53 -0.242 -1.500 -9.536 1.00 0.00 N ATOM 888 CA ARG A 53 0.051 -0.066 -9.332 1.00 0.00 C ATOM 889 C ARG A 53 0.240 0.383 -7.882 1.00 0.00 C ATOM 890 O ARG A 53 1.027 1.265 -7.555 1.00 0.00 O ATOM 891 CB ARG A 53 -1.001 0.876 -9.995 1.00 0.00 C ATOM 892 CG ARG A 53 -2.434 0.734 -9.442 1.00 0.00 C ATOM 893 CD ARG A 53 -2.896 1.701 -8.317 1.00 0.00 C ATOM 894 NE ARG A 53 -2.922 3.102 -8.861 1.00 0.00 N ATOM 895 CZ ARG A 53 -3.111 4.209 -8.074 1.00 0.00 C ATOM 896 NH1 ARG A 53 -3.272 4.091 -6.724 1.00 0.00 N ATOM 897 NH2 ARG A 53 -3.131 5.446 -8.651 1.00 0.00 N ATOM 0 H ARG A 53 -1.199 -1.659 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 53 1.017 0.028 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.677 1.909 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.019 0.680 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.124 0.845 -10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.546 -0.284 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.885 1.417 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.219 1.640 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.793 3.236 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.253 3.170 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.412 4.924 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.006 5.541 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.271 6.276 -8.074 1.00 0.00 H new ATOM 911 N GLU A 54 -0.587 -0.236 -7.021 1.00 0.00 N ATOM 912 CA GLU A 54 -0.929 -0.016 -5.631 1.00 0.00 C ATOM 913 C GLU A 54 0.084 -0.277 -4.553 1.00 0.00 C ATOM 914 O GLU A 54 -0.312 -0.331 -3.390 1.00 0.00 O ATOM 915 CB GLU A 54 -2.194 -0.855 -5.364 1.00 0.00 C ATOM 916 CG GLU A 54 -1.942 -2.367 -5.544 1.00 0.00 C ATOM 917 CD GLU A 54 -3.203 -2.994 -6.146 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.754 -3.951 -5.548 1.00 0.00 O ATOM 919 OE2 GLU A 54 -3.634 -2.520 -7.233 1.00 0.00 O ATOM 0 H GLU A 54 -1.113 -1.040 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.041 1.065 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.546 -0.666 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.987 -0.538 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.085 -2.535 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.708 -2.830 -4.585 1.00 0.00 H new ATOM 926 N HIS A 55 1.379 -0.490 -4.912 1.00 0.00 N ATOM 927 CA HIS A 55 2.517 -0.788 -4.029 1.00 0.00 C ATOM 928 C HIS A 55 2.677 0.004 -2.706 1.00 0.00 C ATOM 929 O HIS A 55 3.264 1.078 -2.627 1.00 0.00 O ATOM 930 CB HIS A 55 3.865 -0.933 -4.782 1.00 0.00 C ATOM 931 CG HIS A 55 4.956 -1.477 -3.884 1.00 0.00 C ATOM 932 ND1 HIS A 55 4.950 -2.579 -3.082 1.00 0.00 N flip ATOM 933 CD2 HIS A 55 6.054 -0.736 -3.497 1.00 0.00 C flip ATOM 934 CE1 HIS A 55 6.021 -2.527 -2.201 1.00 0.00 C flip ATOM 935 NE2 HIS A 55 6.659 -1.414 -2.495 1.00 0.00 N flip ATOM 0 H HIS A 55 1.663 -0.454 -5.891 1.00 0.00 H new ATOM 0 HA HIS A 55 2.204 -1.766 -3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.734 -1.596 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.168 0.038 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.371 0.208 -3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.276 -3.246 -1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.508 -1.100 -2.024 1.00 0.00 H new ATOM 943 N ILE A 56 2.097 -0.619 -1.653 1.00 0.00 N ATOM 944 CA ILE A 56 2.002 -0.265 -0.252 1.00 0.00 C ATOM 945 C ILE A 56 2.571 -1.443 0.524 1.00 0.00 C ATOM 946 O ILE A 56 2.444 -2.591 0.115 1.00 0.00 O ATOM 947 CB ILE A 56 0.552 -0.072 0.147 1.00 0.00 C ATOM 948 CG1 ILE A 56 0.049 1.211 -0.532 1.00 0.00 C ATOM 949 CG2 ILE A 56 0.283 0.025 1.677 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.430 1.300 -0.253 1.00 0.00 C ATOM 0 H ILE A 56 1.622 -1.508 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 56 2.539 0.662 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 56 0.022 -0.968 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.570 2.085 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.239 1.181 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.784 0.162 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.615 -0.892 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.830 0.873 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.834 2.199 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.931 0.423 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.595 1.342 0.824 1.00 0.00 H new ATOM 962 N HIS A 57 3.122 -1.212 1.731 1.00 0.00 N ATOM 963 CA HIS A 57 3.474 -2.264 2.677 1.00 0.00 C ATOM 964 C HIS A 57 2.544 -2.018 3.853 1.00 0.00 C ATOM 965 O HIS A 57 2.241 -0.852 4.108 1.00 0.00 O ATOM 966 CB HIS A 57 4.943 -2.151 3.153 1.00 0.00 C ATOM 967 CG HIS A 57 5.551 -3.482 3.520 1.00 0.00 C ATOM 968 ND1 HIS A 57 4.969 -4.683 3.820 1.00 0.00 N flip ATOM 969 CD2 HIS A 57 6.905 -3.674 3.701 1.00 0.00 C flip ATOM 970 CE1 HIS A 57 5.922 -5.596 4.214 1.00 0.00 C flip ATOM 971 NE2 HIS A 57 7.071 -4.959 4.103 1.00 0.00 N flip ATOM 0 H HIS A 57 3.334 -0.274 2.072 1.00 0.00 H new ATOM 0 HA HIS A 57 3.376 -3.253 2.230 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.539 -1.691 2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.989 -1.487 4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.684 -2.941 3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.763 -6.612 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.978 -5.383 4.297 1.00 0.00 H new ATOM 979 N MET A 58 2.097 -3.050 4.649 1.00 0.00 N ATOM 980 CA MET A 58 1.132 -2.959 5.787 1.00 0.00 C ATOM 981 C MET A 58 1.395 -1.945 6.862 1.00 0.00 C ATOM 982 O MET A 58 0.536 -1.488 7.605 1.00 0.00 O ATOM 983 CB MET A 58 0.917 -4.321 6.517 1.00 0.00 C ATOM 984 CG MET A 58 1.685 -4.661 7.825 1.00 0.00 C ATOM 985 SD MET A 58 1.064 -4.065 9.439 1.00 0.00 S ATOM 986 CE MET A 58 -0.675 -4.525 9.219 1.00 0.00 C ATOM 0 H MET A 58 2.419 -4.007 4.501 1.00 0.00 H new ATOM 0 HA MET A 58 0.250 -2.625 5.241 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.147 -4.397 6.743 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.147 -5.108 5.798 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.754 -5.747 7.886 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.701 -4.283 7.710 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.130 -4.702 10.193 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.204 -3.717 8.713 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.738 -5.432 8.618 1.00 0.00 H new ATOM 996 N ASN A 59 2.680 -1.589 6.908 1.00 0.00 N ATOM 997 CA ASN A 59 3.410 -0.702 7.756 1.00 0.00 C ATOM 998 C ASN A 59 3.018 0.781 7.487 1.00 0.00 C ATOM 999 O ASN A 59 3.125 1.629 8.364 1.00 0.00 O ATOM 1000 CB ASN A 59 4.913 -1.081 7.527 1.00 0.00 C ATOM 1001 CG ASN A 59 5.065 -2.619 7.648 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.015 -3.361 6.499 1.00 0.00 O flip ATOM 1003 ND2 ASN A 59 5.121 -3.170 8.746 1.00 0.00 N flip ATOM 0 H ASN A 59 3.318 -1.999 6.226 1.00 0.00 H new ATOM 0 HA ASN A 59 3.182 -0.806 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.241 -0.746 6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.544 -0.581 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.158 -2.609 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.131 -4.188 8.806 1.00 0.00 H new ATOM 1010 N ALA A 60 2.455 1.096 6.262 1.00 0.00 N ATOM 1011 CA ALA A 60 1.878 2.397 5.836 1.00 0.00 C ATOM 1012 C ALA A 60 0.430 2.701 6.315 1.00 0.00 C ATOM 1013 O ALA A 60 -0.360 3.366 5.648 1.00 0.00 O ATOM 1014 CB ALA A 60 1.858 2.465 4.286 1.00 0.00 C ATOM 0 H ALA A 60 2.397 0.400 5.519 1.00 0.00 H new ATOM 0 HA ALA A 60 2.525 3.138 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.435 3.418 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.875 2.374 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.250 1.650 3.894 1.00 0.00 H new ATOM 1020 N THR A 61 0.059 2.176 7.505 1.00 0.00 N ATOM 1021 CA THR A 61 -1.298 2.184 8.082 1.00 0.00 C ATOM 1022 C THR A 61 -1.304 2.717 9.538 1.00 0.00 C ATOM 1023 O THR A 61 -0.408 3.438 9.967 1.00 0.00 O ATOM 1024 CB THR A 61 -1.874 0.755 8.009 1.00 0.00 C ATOM 1025 OG1 THR A 61 -1.218 -0.139 8.903 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.732 0.134 6.595 1.00 0.00 C ATOM 0 H THR A 61 0.733 1.714 8.116 1.00 0.00 H new ATOM 0 HA THR A 61 -1.925 2.863 7.504 1.00 0.00 H new ATOM 0 HB THR A 61 -2.924 0.870 8.278 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.547 -0.658 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.152 -0.872 6.595 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.266 0.750 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.678 0.087 6.323 1.00 0.00 H new ATOM 1034 N GLN A 62 -2.321 2.294 10.357 1.00 0.00 N ATOM 1035 CA GLN A 62 -2.384 2.556 11.805 1.00 0.00 C ATOM 1036 C GLN A 62 -2.330 1.232 12.574 1.00 0.00 C ATOM 1037 O GLN A 62 -2.529 1.129 13.787 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.607 3.419 12.190 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.946 2.666 12.366 1.00 0.00 C ATOM 1040 CD GLN A 62 -6.082 3.675 12.391 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.860 4.871 12.179 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -7.325 3.207 12.661 1.00 0.00 N ATOM 0 H GLN A 62 -3.118 1.759 10.011 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.513 3.147 12.088 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.381 3.938 13.122 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.742 4.183 11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.090 1.958 11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.935 2.089 13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.469 2.212 12.831 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.116 3.850 12.694 1.00 0.00 H new ATOM 1051 N TRP A 63 -2.026 0.161 11.808 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.861 -1.205 12.214 1.00 0.00 C ATOM 1053 C TRP A 63 -0.339 -1.416 12.357 1.00 0.00 C ATOM 1054 O TRP A 63 0.395 -1.457 11.374 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.554 -2.143 11.180 1.00 0.00 C ATOM 1056 CG TRP A 63 -3.978 -1.727 10.738 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -5.089 -1.401 11.475 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.397 -1.673 9.359 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.173 -1.170 10.640 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.741 -1.310 9.333 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.723 -1.930 8.202 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.401 -1.184 8.139 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.395 -1.806 7.002 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -5.715 -1.420 6.968 1.00 0.00 C ATOM 0 H TRP A 63 -1.882 0.267 10.804 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.336 -1.443 13.165 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -1.923 -2.204 10.294 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.605 -3.146 11.605 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -5.116 -1.334 12.553 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.121 -0.938 10.937 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.684 -2.225 8.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.444 -0.904 8.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -3.877 -2.015 6.078 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.216 -1.301 6.019 1.00 0.00 H new ATOM 1075 N GLU A 64 0.173 -1.499 13.619 1.00 0.00 N ATOM 1076 CA GLU A 64 1.587 -1.606 14.004 1.00 0.00 C ATOM 1077 C GLU A 64 2.202 -3.001 13.826 1.00 0.00 C ATOM 1078 O GLU A 64 3.397 -3.241 13.981 1.00 0.00 O ATOM 1079 CB GLU A 64 1.666 -1.092 15.477 1.00 0.00 C ATOM 1080 CG GLU A 64 2.999 -1.292 16.217 1.00 0.00 C ATOM 1081 CD GLU A 64 3.016 -0.494 17.519 1.00 0.00 C ATOM 1082 OE1 GLU A 64 2.969 0.762 17.444 1.00 0.00 O ATOM 1083 OE2 GLU A 64 3.081 -1.131 18.604 1.00 0.00 O ATOM 0 H GLU A 64 -0.439 -1.491 14.435 1.00 0.00 H new ATOM 0 HA GLU A 64 2.196 -1.002 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.436 -0.027 15.477 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.883 -1.587 16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.147 -2.350 16.431 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.826 -0.977 15.580 1.00 0.00 H new ATOM 1090 N THR A 65 1.351 -3.981 13.490 1.00 0.00 N ATOM 1091 CA THR A 65 1.681 -5.374 13.303 1.00 0.00 C ATOM 1092 C THR A 65 0.460 -5.840 12.553 1.00 0.00 C ATOM 1093 O THR A 65 -0.576 -5.169 12.593 1.00 0.00 O ATOM 1094 CB THR A 65 1.959 -6.123 14.625 1.00 0.00 C ATOM 1095 OG1 THR A 65 1.966 -7.544 14.495 1.00 0.00 O ATOM 1096 CG2 THR A 65 0.968 -5.725 15.740 1.00 0.00 C ATOM 0 H THR A 65 0.360 -3.797 13.336 1.00 0.00 H new ATOM 0 HA THR A 65 2.615 -5.560 12.773 1.00 0.00 H new ATOM 0 HB THR A 65 2.966 -5.811 14.902 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.149 -7.951 15.367 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.203 -6.277 16.650 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.049 -4.655 15.934 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.048 -5.961 15.425 1.00 0.00 H new ATOM 1104 N LEU A 66 0.534 -7.007 11.842 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.507 -7.596 10.992 1.00 0.00 C ATOM 1106 C LEU A 66 -1.830 -7.851 11.709 1.00 0.00 C ATOM 1107 O LEU A 66 -2.912 -7.631 11.170 1.00 0.00 O ATOM 1108 CB LEU A 66 0.030 -8.865 10.265 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.584 -9.245 8.887 1.00 0.00 C ATOM 1110 CD1 LEU A 66 0.034 -8.460 7.716 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.109 -9.135 8.828 1.00 0.00 C ATOM 0 H LEU A 66 1.377 -7.581 11.860 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.749 -6.846 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.104 -8.738 10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.107 -9.714 10.935 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.328 -10.299 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.436 -8.770 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.128 -7.393 7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.104 -8.661 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.456 -9.417 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.551 -9.801 9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.408 -8.108 9.039 1.00 0.00 H new ATOM 1123 N THR A 67 -1.740 -8.210 13.017 1.00 0.00 N ATOM 1124 CA THR A 67 -2.782 -8.563 13.980 1.00 0.00 C ATOM 1125 C THR A 67 -3.829 -7.494 14.127 1.00 0.00 C ATOM 1126 O THR A 67 -5.007 -7.819 14.084 1.00 0.00 O ATOM 1127 CB THR A 67 -2.117 -8.710 15.361 1.00 0.00 C ATOM 1128 OG1 THR A 67 -1.051 -9.640 15.278 1.00 0.00 O ATOM 1129 CG2 THR A 67 -3.101 -9.172 16.451 1.00 0.00 C ATOM 0 H THR A 67 -0.822 -8.260 13.459 1.00 0.00 H new ATOM 0 HA THR A 67 -3.259 -9.475 13.622 1.00 0.00 H new ATOM 0 HB THR A 67 -1.751 -7.723 15.645 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.390 -10.497 14.944 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.576 -9.258 17.402 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.907 -8.444 16.546 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.518 -10.141 16.178 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.440 -6.198 14.164 1.00 0.00 N ATOM 1138 CA ASP A 68 -4.309 -5.026 14.245 1.00 0.00 C ATOM 1139 C ASP A 68 -5.116 -4.686 12.990 1.00 0.00 C ATOM 1140 O ASP A 68 -6.223 -4.168 13.116 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.531 -3.805 14.827 1.00 0.00 C ATOM 1142 CG ASP A 68 -4.439 -2.731 15.444 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -5.256 -3.089 16.336 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.322 -1.547 15.035 1.00 0.00 O ATOM 0 H ASP A 68 -2.454 -5.940 14.136 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.096 -5.308 14.944 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.834 -4.158 15.586 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.936 -3.353 14.033 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.657 -5.041 11.747 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.440 -4.952 10.495 1.00 0.00 C ATOM 1151 C PHE A 69 -6.549 -6.001 10.496 1.00 0.00 C ATOM 1152 O PHE A 69 -7.687 -5.786 10.084 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.515 -5.157 9.245 1.00 0.00 C ATOM 1154 CG PHE A 69 -5.237 -5.309 7.891 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -6.289 -4.483 7.534 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -4.985 -6.393 7.067 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -6.997 -4.655 6.360 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -5.730 -6.611 5.922 1.00 0.00 C ATOM 1159 CZ PHE A 69 -6.713 -5.722 5.541 1.00 0.00 C ATOM 0 H PHE A 69 -3.715 -5.402 11.599 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.884 -3.958 10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.834 -4.309 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.904 -6.044 9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.566 -3.676 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.193 -7.081 7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.771 -3.953 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.540 -7.487 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.251 -5.862 4.615 1.00 0.00 H new ATOM 1169 N THR A 70 -6.183 -7.185 11.031 1.00 0.00 N ATOM 1170 CA THR A 70 -7.032 -8.360 11.190 1.00 0.00 C ATOM 1171 C THR A 70 -8.096 -8.162 12.268 1.00 0.00 C ATOM 1172 O THR A 70 -9.236 -8.605 12.113 1.00 0.00 O ATOM 1173 CB THR A 70 -6.187 -9.617 11.344 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.936 -9.363 11.925 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.867 -10.167 9.951 1.00 0.00 C ATOM 0 H THR A 70 -5.237 -7.344 11.378 1.00 0.00 H new ATOM 0 HA THR A 70 -7.609 -8.504 10.276 1.00 0.00 H new ATOM 0 HB THR A 70 -6.761 -10.298 11.972 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.060 -9.044 12.843 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.262 -11.068 10.046 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.795 -10.406 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.316 -9.418 9.382 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.748 -7.382 13.349 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.697 -6.868 14.359 1.00 0.00 C ATOM 1185 C LYS A 71 -9.722 -5.852 13.806 1.00 0.00 C ATOM 1186 O LYS A 71 -10.876 -5.897 14.201 1.00 0.00 O ATOM 1187 CB LYS A 71 -8.077 -6.140 15.598 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.975 -6.832 16.413 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.272 -8.142 17.161 1.00 0.00 C ATOM 1190 CE LYS A 71 -7.396 -9.435 16.339 1.00 0.00 C ATOM 1191 NZ LYS A 71 -8.801 -9.792 16.029 1.00 0.00 N ATOM 0 H LYS A 71 -6.785 -7.099 13.530 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.153 -7.810 14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.676 -5.188 15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.893 -5.910 16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.146 -7.029 15.733 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.619 -6.113 17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.483 -8.291 17.899 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.203 -8.007 17.712 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.842 -9.321 15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.932 -10.254 16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.050 -10.676 16.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.432 -9.030 16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.908 -9.921 15.003 1.00 0.00 H new ATOM 1205 N TRP A 72 -9.314 -4.928 12.884 1.00 0.00 N ATOM 1206 CA TRP A 72 -10.157 -3.890 12.260 1.00 0.00 C ATOM 1207 C TRP A 72 -11.078 -4.458 11.182 1.00 0.00 C ATOM 1208 O TRP A 72 -12.296 -4.312 11.221 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.287 -2.726 11.660 1.00 0.00 C ATOM 1210 CG TRP A 72 -10.002 -1.612 10.867 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.747 -0.564 11.336 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.084 -1.550 9.422 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.275 0.148 10.280 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.843 -0.423 9.098 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.577 -2.364 8.441 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.052 -0.064 7.793 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.836 -2.030 7.123 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.542 -0.887 6.805 1.00 0.00 C ATOM 0 H TRP A 72 -8.351 -4.895 12.551 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.783 -3.488 13.057 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.749 -2.255 12.483 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.540 -3.173 11.005 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.899 -0.329 12.379 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -11.884 0.962 10.358 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.994 -3.238 8.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.598 0.834 7.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.481 -2.673 6.332 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.699 -0.631 5.768 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.497 -5.149 10.176 1.00 0.00 N ATOM 1230 CA LEU A 73 -11.174 -5.802 9.061 1.00 0.00 C ATOM 1231 C LEU A 73 -12.071 -6.970 9.454 1.00 0.00 C ATOM 1232 O LEU A 73 -13.177 -7.142 8.933 1.00 0.00 O ATOM 1233 CB LEU A 73 -10.224 -5.921 7.856 1.00 0.00 C ATOM 1234 CG LEU A 73 -10.113 -7.261 7.078 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.136 -6.930 5.579 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.869 -8.079 7.437 1.00 0.00 C ATOM 0 H LEU A 73 -9.485 -5.266 10.129 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.969 -5.164 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.515 -5.154 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.224 -5.667 8.207 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.956 -7.893 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.060 -7.851 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.069 -6.424 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.295 -6.280 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.859 -9.001 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.974 -7.498 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.887 -8.321 8.500 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.629 -7.728 10.507 1.00 0.00 N ATOM 1249 CA GLY A 74 -12.419 -8.682 11.297 1.00 0.00 C ATOM 1250 C GLY A 74 -13.603 -8.068 12.036 1.00 0.00 C ATOM 1251 O GLY A 74 -14.642 -8.696 12.228 1.00 0.00 O ATOM 0 H GLY A 74 -10.663 -7.674 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.788 -9.465 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.764 -9.162 12.024 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.472 -6.771 12.438 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.490 -5.964 13.118 1.00 0.00 C ATOM 1257 C ARG A 75 -15.507 -5.317 12.191 1.00 0.00 C ATOM 1258 O ARG A 75 -16.666 -5.160 12.566 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.796 -4.906 13.987 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.607 -4.022 14.928 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.712 -2.842 15.336 1.00 0.00 C ATOM 1262 NE ARG A 75 -12.588 -3.343 16.213 1.00 0.00 N ATOM 1263 CZ ARG A 75 -11.317 -2.827 16.205 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -10.985 -1.779 15.398 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -10.366 -3.386 17.011 1.00 0.00 N ATOM 0 H ARG A 75 -12.609 -6.250 12.283 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.071 -6.650 13.735 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.054 -5.425 14.593 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.251 -4.244 13.314 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.511 -3.665 14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.923 -4.585 15.806 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.306 -2.355 14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.299 -2.094 15.870 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.787 -4.113 16.851 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.687 -1.364 14.786 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.034 -1.410 15.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.605 -4.177 17.609 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.417 -3.012 17.015 1.00 0.00 H new ATOM 1279 N GLU A 76 -15.124 -4.941 10.934 1.00 0.00 N ATOM 1280 CA GLU A 76 -16.028 -4.378 9.920 1.00 0.00 C ATOM 1281 C GLU A 76 -16.868 -5.442 9.220 1.00 0.00 C ATOM 1282 O GLU A 76 -17.752 -5.131 8.425 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.284 -3.607 8.796 1.00 0.00 C ATOM 1284 CG GLU A 76 -14.421 -2.447 9.305 1.00 0.00 C ATOM 1285 CD GLU A 76 -14.003 -1.593 8.111 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -14.296 -0.368 8.122 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -13.393 -2.163 7.165 1.00 0.00 O ATOM 0 H GLU A 76 -14.162 -5.028 10.606 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.660 -3.699 10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.651 -4.305 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.017 -3.219 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.979 -1.846 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.542 -2.829 9.824 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.565 -6.733 9.512 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.265 -7.886 8.969 1.00 0.00 C ATOM 1296 C GLY A 77 -16.769 -8.321 7.622 1.00 0.00 C ATOM 1297 O GLY A 77 -17.543 -8.807 6.807 1.00 0.00 O ATOM 0 H GLY A 77 -15.808 -6.988 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.169 -8.718 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.327 -7.652 8.896 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.440 -8.183 7.344 1.00 0.00 N ATOM 1302 CA LEU A 78 -14.876 -8.663 6.067 1.00 0.00 C ATOM 1303 C LEU A 78 -13.921 -9.795 6.353 1.00 0.00 C ATOM 1304 O LEU A 78 -13.268 -10.346 5.488 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.192 -7.592 5.183 1.00 0.00 C ATOM 1306 CG LEU A 78 -14.912 -6.222 5.251 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.910 -5.068 5.397 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -15.940 -6.061 4.108 1.00 0.00 C ATOM 0 H LEU A 78 -14.763 -7.754 7.975 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.728 -8.991 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.156 -7.471 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.171 -7.937 4.149 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.510 -6.184 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.449 -4.122 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.333 -5.201 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.235 -5.061 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.425 -5.088 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.430 -6.134 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.691 -6.848 4.181 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.828 -10.215 7.600 1.00 0.00 N ATOM 1321 CA CYS A 79 -13.028 -11.373 7.993 1.00 0.00 C ATOM 1322 C CYS A 79 -13.446 -12.087 9.253 1.00 0.00 C ATOM 1323 O CYS A 79 -13.959 -11.530 10.220 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.496 -11.089 7.997 1.00 0.00 C ATOM 1325 SG CYS A 79 -10.304 -12.418 8.175 1.00 0.00 S ATOM 0 H CYS A 79 -14.307 -9.763 8.379 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.251 -12.078 7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -11.265 -10.577 7.063 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -11.306 -10.381 8.804 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.852 -13.543 7.821 1.00 0.00 H new ATOM 1331 N LYS A 80 -13.087 -13.384 9.210 1.00 0.00 N ATOM 1332 CA LYS A 80 -13.064 -14.402 10.215 1.00 0.00 C ATOM 1333 C LYS A 80 -11.577 -14.751 10.388 1.00 0.00 C ATOM 1334 O LYS A 80 -10.950 -15.289 9.479 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.880 -15.593 9.631 1.00 0.00 C ATOM 1336 CG LYS A 80 -15.345 -15.614 10.068 1.00 0.00 C ATOM 1337 CD LYS A 80 -16.140 -16.696 9.328 1.00 0.00 C ATOM 1338 CE LYS A 80 -17.623 -16.721 9.708 1.00 0.00 C ATOM 1339 NZ LYS A 80 -18.348 -17.769 8.952 1.00 0.00 N ATOM 0 H LYS A 80 -12.762 -13.772 8.324 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.491 -14.122 11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.836 -15.552 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.407 -16.527 9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.402 -15.790 11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.795 -14.639 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.050 -16.534 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.700 -17.670 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.725 -16.903 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.070 -15.747 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.351 -17.765 9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.269 -17.579 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.934 -18.699 9.164 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.920 -14.417 11.522 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.493 -14.555 11.730 1.00 0.00 C ATOM 1355 C VAL A 81 -9.143 -15.613 12.769 1.00 0.00 C ATOM 1356 O VAL A 81 -9.811 -15.796 13.789 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.873 -13.218 12.174 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.856 -12.327 12.965 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.237 -12.442 11.009 1.00 0.00 C ATOM 0 H VAL A 81 -11.402 -14.032 12.335 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.084 -14.868 10.770 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.070 -13.491 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.359 -11.400 13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.721 -12.099 12.343 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.183 -12.853 13.862 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.816 -11.508 11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.446 -13.043 10.560 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.997 -12.224 10.259 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.977 -16.273 12.523 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.364 -17.273 13.415 1.00 0.00 C ATOM 1371 C ASP A 82 -5.835 -17.181 13.404 1.00 0.00 C ATOM 1372 O ASP A 82 -5.233 -16.730 12.431 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.750 -18.744 13.048 1.00 0.00 C ATOM 1374 CG ASP A 82 -9.250 -18.985 13.235 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.718 -18.923 14.404 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.945 -19.234 12.215 1.00 0.00 O ATOM 0 H ASP A 82 -7.432 -16.114 11.676 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.756 -17.038 14.405 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.472 -18.949 12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.187 -19.437 13.673 1.00 0.00 H new ATOM 1381 N GLU A 83 -5.134 -17.618 14.496 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.675 -17.593 14.593 1.00 0.00 C ATOM 1383 C GLU A 83 -3.110 -18.979 14.913 1.00 0.00 C ATOM 1384 O GLU A 83 -3.653 -19.754 15.704 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.131 -16.521 15.572 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.601 -16.316 15.447 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.111 -15.138 16.287 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -1.921 -14.553 17.056 1.00 0.00 O ATOM 1389 OE2 GLU A 83 0.103 -14.813 16.175 1.00 0.00 O ATOM 0 H GLU A 83 -5.587 -17.996 15.328 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.321 -17.298 13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.637 -15.574 15.384 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.372 -16.813 16.594 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.087 -17.224 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.342 -16.148 14.402 1.00 0.00 H new ATOM 1396 N THR A 84 -1.974 -19.275 14.233 1.00 0.00 N ATOM 1397 CA THR A 84 -1.153 -20.478 14.223 1.00 0.00 C ATOM 1398 C THR A 84 0.242 -20.169 14.693 1.00 0.00 C ATOM 1399 O THR A 84 0.587 -19.004 14.882 1.00 0.00 O ATOM 1400 CB THR A 84 -0.971 -21.000 12.767 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.246 -20.141 11.889 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.320 -21.229 12.081 1.00 0.00 C ATOM 0 H THR A 84 -1.576 -18.577 13.605 1.00 0.00 H new ATOM 0 HA THR A 84 -1.654 -21.203 14.864 1.00 0.00 H new ATOM 0 HB THR A 84 -0.401 -21.917 12.917 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.819 -19.882 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.155 -21.593 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.893 -21.967 12.643 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.873 -20.291 12.044 1.00 0.00 H new ATOM 1410 N PRO A 85 1.125 -21.184 14.810 1.00 0.00 N ATOM 1411 CA PRO A 85 2.538 -20.947 14.973 1.00 0.00 C ATOM 1412 C PRO A 85 3.329 -20.382 13.768 1.00 0.00 C ATOM 1413 O PRO A 85 4.493 -20.046 13.970 1.00 0.00 O ATOM 1414 CB PRO A 85 3.079 -22.310 15.435 1.00 0.00 C ATOM 1415 CG PRO A 85 1.871 -23.164 15.819 1.00 0.00 C ATOM 1416 CD PRO A 85 0.808 -22.616 14.891 1.00 0.00 C ATOM 0 HA PRO A 85 2.678 -20.128 15.679 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.651 -22.787 14.640 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.752 -22.190 16.284 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.051 -24.226 15.655 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.601 -23.045 16.868 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.848 -23.091 13.911 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.194 -22.783 15.286 1.00 0.00 H new ATOM 1424 N LYS A 86 2.763 -20.268 12.531 1.00 0.00 N ATOM 1425 CA LYS A 86 3.493 -19.768 11.367 1.00 0.00 C ATOM 1426 C LYS A 86 2.976 -18.409 10.886 1.00 0.00 C ATOM 1427 O LYS A 86 3.537 -17.815 9.966 1.00 0.00 O ATOM 1428 CB LYS A 86 3.450 -20.736 10.140 1.00 0.00 C ATOM 1429 CG LYS A 86 3.966 -22.177 10.364 1.00 0.00 C ATOM 1430 CD LYS A 86 3.026 -23.168 11.089 1.00 0.00 C ATOM 1431 CE LYS A 86 1.612 -23.299 10.492 1.00 0.00 C ATOM 1432 NZ LYS A 86 1.659 -23.757 9.083 1.00 0.00 N ATOM 0 H LYS A 86 1.795 -20.522 12.332 1.00 0.00 H new ATOM 0 HA LYS A 86 4.518 -19.681 11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.419 -20.796 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.033 -20.289 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.215 -22.600 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.894 -22.117 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.494 -24.152 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.935 -22.859 12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.029 -24.003 11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.102 -22.337 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.691 -23.835 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.195 -23.072 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.124 -24.686 9.035 1.00 0.00 H new ATOM 1446 N GLY A 87 1.867 -17.881 11.465 1.00 0.00 N ATOM 1447 CA GLY A 87 1.297 -16.618 11.018 1.00 0.00 C ATOM 1448 C GLY A 87 -0.162 -16.445 11.328 1.00 0.00 C ATOM 1449 O GLY A 87 -0.817 -17.304 11.927 1.00 0.00 O ATOM 0 H GLY A 87 1.364 -18.320 12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.852 -15.801 11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.439 -16.532 9.941 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.691 -15.285 10.857 1.00 0.00 N ATOM 1454 CA TRP A 88 -2.064 -14.788 10.948 1.00 0.00 C ATOM 1455 C TRP A 88 -2.857 -15.185 9.700 1.00 0.00 C ATOM 1456 O TRP A 88 -2.692 -14.637 8.608 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.072 -13.226 11.121 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.116 -12.784 12.577 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.134 -12.661 13.514 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.355 -12.549 13.258 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.692 -12.366 14.747 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.065 -12.360 14.604 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.632 -12.514 12.797 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.070 -12.216 15.517 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.624 -12.278 13.718 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.363 -12.152 15.058 1.00 0.00 C ATOM 0 H TRP A 88 -0.099 -14.621 10.359 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.537 -15.237 11.821 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.182 -12.810 10.649 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.934 -12.813 10.597 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.077 -12.776 13.323 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.178 -12.185 15.609 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.858 -12.665 11.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.854 -12.154 16.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.644 -12.189 13.375 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.175 -12.002 15.754 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.789 -16.158 9.841 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.602 -16.685 8.756 1.00 0.00 C ATOM 1479 C TYR A 89 -5.954 -16.041 8.909 1.00 0.00 C ATOM 1480 O TYR A 89 -6.586 -16.022 9.969 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.704 -18.239 8.726 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.343 -18.810 8.432 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -3.021 -19.288 7.174 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.356 -18.787 9.395 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.727 -19.671 6.869 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.057 -19.114 9.084 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.736 -19.574 7.830 1.00 0.00 C ATOM 1488 OH TYR A 89 0.599 -19.945 7.562 1.00 0.00 O ATOM 0 H TYR A 89 -3.989 -16.598 10.739 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.135 -16.446 7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.071 -18.611 9.683 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.418 -18.556 7.966 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.790 -19.363 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.607 -18.508 10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.491 -20.045 5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.284 -19.008 9.831 1.00 0.00 H new ATOM 0 HH TYR A 89 1.184 -19.595 8.266 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.357 -15.433 7.790 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.523 -14.635 7.600 1.00 0.00 C ATOM 1500 C ILE A 90 -8.342 -15.435 6.610 1.00 0.00 C ATOM 1501 O ILE A 90 -7.825 -15.938 5.610 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.126 -13.216 7.121 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -6.993 -13.004 5.584 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -5.863 -12.745 7.873 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -6.535 -11.602 5.164 1.00 0.00 C ATOM 0 H ILE A 90 -5.812 -15.507 6.931 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.103 -14.447 8.503 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.981 -12.589 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.286 -13.735 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.957 -13.210 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.588 -11.747 7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.065 -12.720 8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.043 -13.435 7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.472 -11.550 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.252 -10.863 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.555 -11.395 5.595 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.649 -15.536 6.873 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.646 -16.225 6.103 1.00 0.00 C ATOM 1519 C GLN A 91 -11.627 -15.115 5.992 1.00 0.00 C ATOM 1520 O GLN A 91 -12.170 -14.642 6.984 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.151 -17.531 6.786 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.681 -17.741 6.719 1.00 0.00 C ATOM 1523 CD GLN A 91 -13.161 -19.020 7.393 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -13.632 -18.998 8.531 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -13.039 -20.156 6.664 1.00 0.00 N ATOM 0 H GLN A 91 -10.052 -15.096 7.701 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.337 -16.639 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.659 -18.384 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.844 -17.521 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.175 -16.889 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.990 -17.755 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.642 -20.119 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.345 -21.048 7.054 1.00 0.00 H new ATOM 1534 N TYR A 92 -11.848 -14.608 4.776 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.738 -13.501 4.497 1.00 0.00 C ATOM 1536 C TYR A 92 -14.222 -13.918 4.618 1.00 0.00 C ATOM 1537 O TYR A 92 -14.572 -15.082 4.451 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.174 -12.566 3.377 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.175 -11.931 2.458 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -13.890 -12.693 1.572 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.535 -10.623 2.653 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -15.017 -12.199 0.947 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -14.721 -10.152 2.161 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.412 -10.914 1.233 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.566 -10.416 0.631 1.00 0.00 O ATOM 0 H TYR A 92 -11.394 -14.975 3.940 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.765 -12.738 5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.600 -11.772 3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.476 -13.144 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.565 -13.701 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.879 -9.961 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.575 -12.807 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -15.113 -9.201 2.491 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.704 -10.862 -0.231 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.096 -12.978 5.040 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.532 -13.126 5.281 1.00 0.00 C ATOM 1557 C ILE A 93 -17.195 -12.882 3.961 1.00 0.00 C ATOM 1558 O ILE A 93 -17.048 -11.788 3.430 1.00 0.00 O ATOM 1559 CB ILE A 93 -16.997 -12.013 6.236 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.441 -12.259 7.652 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.505 -11.642 6.191 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.421 -12.580 8.764 1.00 0.00 C ATOM 0 H ILE A 93 -14.783 -12.027 5.233 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.766 -14.104 5.702 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.558 -11.093 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.727 -13.080 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.881 -11.372 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.706 -10.847 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -18.766 -11.301 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.103 -12.518 6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.877 -12.726 9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -18.124 -11.755 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.967 -13.490 8.516 1.00 0.00 H new ATOM 1574 N ASP A 94 -17.949 -13.851 3.371 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.612 -13.644 2.076 1.00 0.00 C ATOM 1576 C ASP A 94 -19.853 -12.795 2.198 1.00 0.00 C ATOM 1577 O ASP A 94 -20.930 -13.258 2.563 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.942 -14.890 1.194 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.655 -16.019 1.949 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -20.891 -16.167 1.771 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -18.970 -16.744 2.719 1.00 0.00 O ATOM 0 H ASP A 94 -18.105 -14.773 3.778 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.817 -13.131 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.567 -14.575 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -18.015 -15.278 0.771 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.661 -11.485 1.891 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.567 -10.345 1.900 1.00 0.00 C ATOM 1588 C ARG A 95 -21.943 -10.633 1.307 1.00 0.00 C ATOM 1589 O ARG A 95 -22.899 -10.933 2.018 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.767 -9.163 1.347 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.544 -8.874 2.254 1.00 0.00 C ATOM 1592 CD ARG A 95 -18.902 -8.294 3.616 1.00 0.00 C ATOM 1593 NE ARG A 95 -19.486 -6.916 3.470 1.00 0.00 N ATOM 1594 CZ ARG A 95 -19.843 -6.143 4.542 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -19.678 -6.596 5.820 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -20.363 -4.900 4.329 1.00 0.00 N ATOM 0 H ARG A 95 -18.734 -11.182 1.593 1.00 0.00 H new ATOM 0 HA ARG A 95 -20.890 -10.080 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.433 -9.383 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.403 -8.280 1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.987 -9.800 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.879 -8.180 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.617 -8.946 4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.012 -8.253 4.244 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.622 -6.541 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.284 -7.522 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -19.949 -6.008 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.483 -4.554 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -20.632 -4.317 5.122 1.00 0.00 H new ATOM 1610 N ASP A 96 -22.026 -10.681 -0.029 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.018 -11.445 -0.766 1.00 0.00 C ATOM 1612 C ASP A 96 -22.261 -12.686 -1.265 1.00 0.00 C ATOM 1613 O ASP A 96 -21.190 -12.424 -1.815 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.577 -10.664 -1.973 1.00 0.00 C ATOM 1615 CG ASP A 96 -24.347 -9.436 -1.491 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.368 -9.620 -0.775 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -23.928 -8.298 -1.834 1.00 0.00 O ATOM 0 H ASP A 96 -21.383 -10.172 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.874 -11.682 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -22.761 -10.358 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -24.233 -11.307 -2.560 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.619 -13.997 -1.223 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.863 -15.113 -1.842 1.00 0.00 C ATOM 1624 C PRO A 97 -21.901 -15.080 -3.374 1.00 0.00 C ATOM 1625 O PRO A 97 -21.001 -15.616 -4.019 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.518 -16.374 -1.293 1.00 0.00 C ATOM 1627 CG PRO A 97 -23.960 -15.924 -1.074 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.855 -14.462 -0.629 1.00 0.00 C ATOM 0 HA PRO A 97 -20.802 -15.054 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -22.454 -17.204 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.050 -16.704 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -24.546 -16.017 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -24.453 -16.533 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.708 -13.878 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.831 -14.377 0.457 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.877 -14.350 -3.987 1.00 0.00 N ATOM 1637 CA GLU A 98 -22.904 -14.030 -5.405 1.00 0.00 C ATOM 1638 C GLU A 98 -21.768 -13.082 -5.772 1.00 0.00 C ATOM 1639 O GLU A 98 -21.226 -13.183 -6.857 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.240 -13.416 -5.868 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.394 -14.429 -5.813 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.683 -13.769 -6.300 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -27.146 -12.807 -5.627 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -27.221 -14.215 -7.347 1.00 0.00 O ATOM 0 H GLU A 98 -23.675 -13.969 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.782 -14.982 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.481 -12.559 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.133 -13.044 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.161 -15.295 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.523 -14.793 -4.794 1.00 0.00 H new ATOM 1651 N THR A 99 -21.266 -12.206 -4.841 1.00 0.00 N ATOM 1652 CA THR A 99 -20.107 -11.336 -5.101 1.00 0.00 C ATOM 1653 C THR A 99 -18.809 -12.117 -5.311 1.00 0.00 C ATOM 1654 O THR A 99 -18.048 -11.718 -6.171 1.00 0.00 O ATOM 1655 CB THR A 99 -19.972 -10.124 -4.143 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.709 -8.915 -4.843 1.00 0.00 O ATOM 1657 CG2 THR A 99 -18.874 -10.256 -3.077 1.00 0.00 C ATOM 0 H THR A 99 -21.660 -12.097 -3.906 1.00 0.00 H new ATOM 0 HA THR A 99 -20.324 -10.868 -6.061 1.00 0.00 H new ATOM 0 HB THR A 99 -20.942 -10.104 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 99 -19.633 -8.177 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.859 -9.359 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.076 -11.126 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.906 -10.377 -3.564 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.623 -13.275 -4.592 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.561 -14.287 -4.665 1.00 0.00 C ATOM 1667 C ILE A 100 -17.719 -15.138 -5.926 1.00 0.00 C ATOM 1668 O ILE A 100 -16.806 -15.234 -6.735 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.797 -15.195 -3.447 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.270 -14.559 -2.146 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -17.163 -16.610 -3.545 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -17.849 -13.232 -1.675 1.00 0.00 C ATOM 0 H ILE A 100 -19.301 -13.530 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.574 -13.826 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.881 -15.306 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.418 -15.283 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -16.194 -14.425 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -17.386 -17.172 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.575 -17.134 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.083 -16.518 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.364 -12.933 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -17.678 -12.470 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -18.920 -13.342 -1.506 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.935 -15.707 -6.195 1.00 0.00 N ATOM 1685 CA ARG A 101 -19.253 -16.552 -7.360 1.00 0.00 C ATOM 1686 C ARG A 101 -19.224 -15.776 -8.675 1.00 0.00 C ATOM 1687 O ARG A 101 -18.680 -16.237 -9.675 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.635 -17.242 -7.215 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.753 -18.250 -6.054 1.00 0.00 C ATOM 1690 CD ARG A 101 -22.163 -18.847 -5.905 1.00 0.00 C ATOM 1691 NE ARG A 101 -22.551 -19.578 -7.168 1.00 0.00 N ATOM 1692 CZ ARG A 101 -23.606 -19.235 -7.975 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -24.419 -18.182 -7.667 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -23.837 -19.951 -9.113 1.00 0.00 N ATOM 0 H ARG A 101 -19.737 -15.577 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 101 -18.471 -17.311 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -21.395 -16.472 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.864 -17.759 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -20.039 -19.058 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.476 -17.755 -5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -22.189 -19.531 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -22.882 -18.055 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 101 -21.989 -20.384 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -24.247 -17.634 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -25.198 -17.943 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -23.228 -20.732 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -24.619 -19.705 -9.721 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.723 -14.498 -8.645 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.636 -13.517 -9.734 1.00 0.00 C ATOM 1710 C ARG A 102 -18.209 -12.988 -9.856 1.00 0.00 C ATOM 1711 O ARG A 102 -17.767 -12.575 -10.924 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.668 -12.339 -9.745 1.00 0.00 C ATOM 1713 CG ARG A 102 -22.178 -12.701 -9.696 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.544 -14.055 -10.310 1.00 0.00 C ATOM 1715 NE ARG A 102 -24.028 -14.262 -10.198 1.00 0.00 N ATOM 1716 CZ ARG A 102 -24.625 -15.479 -10.403 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -23.883 -16.568 -10.769 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -25.973 -15.606 -10.233 1.00 0.00 N ATOM 0 H ARG A 102 -20.209 -14.130 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.926 -14.094 -10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.450 -11.694 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -20.494 -11.749 -10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.504 -12.692 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.739 -11.922 -10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.238 -14.089 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.013 -14.856 -9.796 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.616 -13.463 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -22.874 -16.480 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -24.338 -17.468 -10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.530 -14.798 -9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.423 -16.509 -10.384 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.411 -13.081 -8.755 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.984 -12.812 -8.755 1.00 0.00 C ATOM 1734 C GLN A 103 -15.130 -13.828 -9.502 1.00 0.00 C ATOM 1735 O GLN A 103 -14.339 -13.495 -10.373 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.327 -12.510 -7.401 1.00 0.00 C ATOM 1737 CG GLN A 103 -14.520 -11.222 -7.582 1.00 0.00 C ATOM 1738 CD GLN A 103 -15.364 -9.982 -7.326 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -16.410 -9.703 -7.913 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.814 -9.194 -6.369 1.00 0.00 N ATOM 0 H GLN A 103 -17.768 -13.351 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.993 -11.876 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -16.081 -12.388 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.681 -13.332 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.669 -11.228 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.118 -11.185 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.945 -9.474 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.270 -8.321 -6.103 1.00 0.00 H new ATOM 1749 N LEU A 104 -15.277 -15.115 -9.113 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.527 -16.250 -9.644 1.00 0.00 C ATOM 1751 C LEU A 104 -14.973 -16.725 -11.023 1.00 0.00 C ATOM 1752 O LEU A 104 -14.137 -17.050 -11.859 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.435 -17.516 -8.722 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.800 -17.431 -7.227 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.727 -18.825 -6.563 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.977 -16.418 -6.428 1.00 0.00 C ATOM 0 H LEU A 104 -15.947 -15.389 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.537 -15.798 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.073 -18.281 -9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.410 -17.882 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.826 -17.063 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.989 -18.740 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.426 -19.500 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.715 -19.219 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.301 -16.426 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.921 -16.684 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.121 -15.422 -6.846 1.00 0.00 H new ATOM 1768 N GLU A 105 -16.315 -16.816 -11.268 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.917 -17.356 -12.492 1.00 0.00 C ATOM 1770 C GLU A 105 -16.999 -16.406 -13.684 1.00 0.00 C ATOM 1771 O GLU A 105 -16.801 -16.824 -14.820 1.00 0.00 O ATOM 1772 CB GLU A 105 -18.340 -17.926 -12.229 1.00 0.00 C ATOM 1773 CG GLU A 105 -18.372 -19.027 -11.144 1.00 0.00 C ATOM 1774 CD GLU A 105 -19.805 -19.444 -10.801 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -19.955 -20.327 -9.914 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -20.768 -18.889 -11.398 1.00 0.00 O ATOM 0 H GLU A 105 -17.012 -16.503 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 105 -16.215 -18.141 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.999 -17.112 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.738 -18.332 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.813 -19.896 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.873 -18.666 -10.245 1.00 0.00 H new