USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 Single : A 19 THR OG1 : rot -70:sc= 0.967 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 26 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.071) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0222) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0113) USER MOD Single : A 47 THR OG1 : rot -88:sc= 0.29 USER MOD Single : A 49 THR OG1 : rot 51:sc= 0.174 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.522 K(o=0.52,f=-0.07) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.522 K(o=-0.52,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 77:sc= 0.391 USER MOD Single : A 78 GLN : amide:sc= -0.714 K(o=-0.71,f=-5.8!) USER MOD Single : A 79 GLN : amide:sc= -0.6 K(o=-0.6,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0051 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.939 12.980 5.227 1.00 0.00 N ATOM 246 CA ARG A 16 3.425 13.507 3.948 1.00 0.00 C ATOM 247 C ARG A 16 2.278 12.616 3.454 1.00 0.00 C ATOM 248 O ARG A 16 2.432 11.396 3.372 1.00 0.00 O ATOM 249 CB ARG A 16 4.570 13.550 2.880 1.00 0.00 C ATOM 250 CG ARG A 16 4.133 13.845 1.419 1.00 0.00 C ATOM 251 CD ARG A 16 3.425 15.208 1.249 1.00 0.00 C ATOM 252 NE ARG A 16 4.313 16.342 1.572 1.00 0.00 N ATOM 253 CZ ARG A 16 3.967 17.642 1.553 1.00 0.00 C ATOM 254 NH1 ARG A 16 2.733 18.030 1.227 1.00 0.00 N ATOM 255 NH2 ARG A 16 4.869 18.553 1.874 1.00 0.00 N ATOM 0 HA ARG A 16 3.056 14.521 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.292 14.309 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.089 12.592 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.011 13.818 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.464 13.053 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.072 15.306 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.546 15.242 1.893 1.00 0.00 H new ATOM 0 HE ARG A 16 5.274 16.120 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.027 17.335 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.495 19.022 1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.813 18.267 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.621 19.542 1.864 1.00 0.00 H new ATOM 269 N GLU A 17 1.119 13.217 3.116 1.00 0.00 N ATOM 270 CA GLU A 17 0.071 12.487 2.391 1.00 0.00 C ATOM 271 C GLU A 17 0.473 12.390 0.910 1.00 0.00 C ATOM 272 O GLU A 17 0.534 13.402 0.199 1.00 0.00 O ATOM 273 CB GLU A 17 -1.330 13.135 2.543 1.00 0.00 C ATOM 274 CG GLU A 17 -2.439 12.397 1.755 1.00 0.00 C ATOM 275 CD GLU A 17 -3.854 12.942 1.995 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.132 14.110 1.625 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.700 12.207 2.550 1.00 0.00 O ATOM 0 H GLU A 17 0.892 14.188 3.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.013 11.491 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.599 13.157 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.282 14.170 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.214 12.459 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.418 11.341 2.024 1.00 0.00 H new ATOM 284 N ILE A 18 0.782 11.169 0.487 1.00 0.00 N ATOM 285 CA ILE A 18 1.093 10.824 -0.906 1.00 0.00 C ATOM 286 C ILE A 18 -0.184 10.346 -1.605 1.00 0.00 C ATOM 287 O ILE A 18 -1.189 10.077 -0.936 1.00 0.00 O ATOM 288 CB ILE A 18 2.185 9.695 -0.967 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.692 8.387 -0.244 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.518 10.204 -0.369 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.681 7.239 -0.239 1.00 0.00 C ATOM 0 H ILE A 18 0.826 10.367 1.116 1.00 0.00 H new ATOM 0 HA ILE A 18 1.483 11.708 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 18 2.358 9.440 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.442 8.634 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.773 8.051 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.265 9.412 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.866 11.066 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.364 10.493 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.246 6.386 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.915 6.956 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.594 7.548 0.269 1.00 0.00 H new ATOM 303 N THR A 19 -0.150 10.249 -2.941 1.00 0.00 N ATOM 304 CA THR A 19 -1.236 9.613 -3.709 1.00 0.00 C ATOM 305 C THR A 19 -0.964 8.105 -3.838 1.00 0.00 C ATOM 306 O THR A 19 0.102 7.629 -3.436 1.00 0.00 O ATOM 307 CB THR A 19 -1.398 10.247 -5.135 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.184 10.097 -5.893 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.780 11.732 -5.049 1.00 0.00 C ATOM 0 H THR A 19 0.616 10.602 -3.515 1.00 0.00 H new ATOM 0 HA THR A 19 -2.167 9.780 -3.167 1.00 0.00 H new ATOM 0 HB THR A 19 -2.205 9.717 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.509 10.682 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.884 12.140 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.725 11.834 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.002 12.278 -4.515 1.00 0.00 H new ATOM 317 N TRP A 20 -1.965 7.360 -4.347 1.00 0.00 N ATOM 318 CA TRP A 20 -1.794 5.952 -4.757 1.00 0.00 C ATOM 319 C TRP A 20 -0.673 5.838 -5.805 1.00 0.00 C ATOM 320 O TRP A 20 0.132 4.906 -5.767 1.00 0.00 O ATOM 321 CB TRP A 20 -3.124 5.378 -5.316 1.00 0.00 C ATOM 322 CG TRP A 20 -3.018 3.962 -5.834 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.010 3.567 -7.139 1.00 0.00 C ATOM 324 CD2 TRP A 20 -2.898 2.764 -5.053 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.878 2.208 -7.221 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.814 1.689 -5.957 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.849 2.497 -3.683 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.684 0.374 -5.537 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.721 1.189 -3.265 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.638 0.141 -4.189 1.00 0.00 C ATOM 0 H TRP A 20 -2.911 7.715 -4.485 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.514 5.367 -3.881 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.879 5.410 -4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.475 6.023 -6.122 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.096 4.232 -7.986 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.834 1.668 -8.086 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.910 3.300 -2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.621 -0.437 -6.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.684 0.970 -2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.536 -0.873 -3.831 1.00 0.00 H new ATOM 341 N LYS A 21 -0.649 6.802 -6.735 1.00 0.00 N ATOM 342 CA LYS A 21 0.379 6.885 -7.782 1.00 0.00 C ATOM 343 C LYS A 21 1.790 7.028 -7.183 1.00 0.00 C ATOM 344 O LYS A 21 2.691 6.281 -7.564 1.00 0.00 O ATOM 345 CB LYS A 21 0.071 8.052 -8.754 1.00 0.00 C ATOM 346 CG LYS A 21 -1.249 7.897 -9.540 1.00 0.00 C ATOM 347 CD LYS A 21 -1.518 9.078 -10.510 1.00 0.00 C ATOM 348 CE LYS A 21 -0.443 9.219 -11.607 1.00 0.00 C ATOM 349 NZ LYS A 21 -0.643 10.441 -12.433 1.00 0.00 N ATOM 0 H LYS A 21 -1.343 7.548 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 21 0.357 5.951 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.034 8.982 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.893 8.144 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.221 6.967 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.077 7.816 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.492 8.939 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.569 10.005 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.544 9.252 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.465 8.339 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.101 10.496 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.574 10.399 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.597 11.283 -11.824 1.00 0.00 H new ATOM 363 N ASP A 22 1.972 7.971 -6.230 1.00 0.00 N ATOM 364 CA ASP A 22 3.276 8.184 -5.574 1.00 0.00 C ATOM 365 C ASP A 22 3.668 6.977 -4.717 1.00 0.00 C ATOM 366 O ASP A 22 4.845 6.638 -4.632 1.00 0.00 O ATOM 367 CB ASP A 22 3.271 9.469 -4.705 1.00 0.00 C ATOM 368 CG ASP A 22 3.164 10.768 -5.521 1.00 0.00 C ATOM 369 OD1 ASP A 22 4.031 11.007 -6.395 1.00 0.00 O ATOM 370 OD2 ASP A 22 2.243 11.574 -5.269 1.00 0.00 O ATOM 0 H ASP A 22 1.233 8.593 -5.901 1.00 0.00 H new ATOM 0 HA ASP A 22 4.016 8.306 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.437 9.420 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.184 9.498 -4.110 1.00 0.00 H new ATOM 375 N PHE A 23 2.667 6.360 -4.068 1.00 0.00 N ATOM 376 CA PHE A 23 2.847 5.106 -3.316 1.00 0.00 C ATOM 377 C PHE A 23 3.474 4.019 -4.210 1.00 0.00 C ATOM 378 O PHE A 23 4.572 3.554 -3.929 1.00 0.00 O ATOM 379 CB PHE A 23 1.493 4.613 -2.714 1.00 0.00 C ATOM 380 CG PHE A 23 1.546 3.183 -2.163 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.470 2.830 -1.182 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.700 2.196 -2.652 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.546 1.541 -0.717 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.770 0.909 -2.179 1.00 0.00 C ATOM 385 CZ PHE A 23 1.697 0.580 -1.215 1.00 0.00 C ATOM 0 H PHE A 23 1.711 6.715 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 23 3.529 5.305 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.194 5.290 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.722 4.668 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.135 3.581 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.023 2.444 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.272 1.281 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.099 0.155 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.757 -0.434 -0.849 1.00 0.00 H new ATOM 395 N VAL A 24 2.784 3.691 -5.304 1.00 0.00 N ATOM 396 CA VAL A 24 3.179 2.606 -6.216 1.00 0.00 C ATOM 397 C VAL A 24 4.563 2.862 -6.816 1.00 0.00 C ATOM 398 O VAL A 24 5.441 2.004 -6.746 1.00 0.00 O ATOM 399 CB VAL A 24 2.106 2.416 -7.350 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.606 1.495 -8.496 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.789 1.889 -6.735 1.00 0.00 C ATOM 0 H VAL A 24 1.930 4.171 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 24 3.233 1.685 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 24 1.924 3.389 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.826 1.398 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.498 1.929 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.845 0.511 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.047 1.758 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.973 0.932 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.418 2.605 -6.002 1.00 0.00 H new ATOM 411 N ASN A 25 4.744 4.061 -7.364 1.00 0.00 N ATOM 412 CA ASN A 25 5.953 4.428 -8.110 1.00 0.00 C ATOM 413 C ASN A 25 7.160 4.633 -7.177 1.00 0.00 C ATOM 414 O ASN A 25 8.180 3.953 -7.320 1.00 0.00 O ATOM 415 CB ASN A 25 5.672 5.702 -8.961 1.00 0.00 C ATOM 416 CG ASN A 25 4.587 5.478 -10.034 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.439 4.381 -10.556 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.798 6.498 -10.346 1.00 0.00 N ATOM 0 H ASN A 25 4.055 4.811 -7.305 1.00 0.00 H new ATOM 0 HA ASN A 25 6.211 3.605 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.362 6.513 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.595 6.020 -9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.053 6.375 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.937 7.405 -9.900 1.00 0.00 H new ATOM 425 N ASN A 26 7.036 5.539 -6.199 1.00 0.00 N ATOM 426 CA ASN A 26 8.192 6.046 -5.425 1.00 0.00 C ATOM 427 C ASN A 26 8.481 5.221 -4.145 1.00 0.00 C ATOM 428 O ASN A 26 9.508 5.449 -3.504 1.00 0.00 O ATOM 429 CB ASN A 26 7.945 7.530 -5.037 1.00 0.00 C ATOM 430 CG ASN A 26 7.707 8.443 -6.246 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.628 9.052 -6.783 1.00 0.00 O ATOM 432 ND2 ASN A 26 6.462 8.519 -6.699 1.00 0.00 N ATOM 0 H ASN A 26 6.142 5.943 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 26 9.067 5.952 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.082 7.586 -4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.803 7.899 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.250 9.095 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.717 8.002 -6.232 1.00 0.00 H new ATOM 439 N TYR A 27 7.571 4.304 -3.730 1.00 0.00 N ATOM 440 CA TYR A 27 7.753 3.532 -2.462 1.00 0.00 C ATOM 441 C TYR A 27 7.638 2.007 -2.698 1.00 0.00 C ATOM 442 O TYR A 27 8.602 1.258 -2.492 1.00 0.00 O ATOM 443 CB TYR A 27 6.725 4.001 -1.380 1.00 0.00 C ATOM 444 CG TYR A 27 6.801 5.507 -1.065 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.660 6.010 -0.087 1.00 0.00 C ATOM 446 CD2 TYR A 27 6.035 6.424 -1.778 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.746 7.366 0.164 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.114 7.776 -1.530 1.00 0.00 C ATOM 449 CZ TYR A 27 6.971 8.244 -0.560 1.00 0.00 C ATOM 450 OH TYR A 27 7.056 9.597 -0.313 1.00 0.00 O ATOM 0 H TYR A 27 6.717 4.079 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 27 8.761 3.732 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.718 3.760 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.895 3.438 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.270 5.326 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.363 6.067 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.418 7.735 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.506 8.467 -2.095 1.00 0.00 H new ATOM 0 HH TYR A 27 6.445 10.078 -0.910 1.00 0.00 H new ATOM 460 N LEU A 28 6.436 1.568 -3.104 1.00 0.00 N ATOM 461 CA LEU A 28 6.090 0.144 -3.317 1.00 0.00 C ATOM 462 C LEU A 28 7.013 -0.533 -4.357 1.00 0.00 C ATOM 463 O LEU A 28 7.449 -1.675 -4.164 1.00 0.00 O ATOM 464 CB LEU A 28 4.597 0.040 -3.737 1.00 0.00 C ATOM 465 CG LEU A 28 4.012 -1.402 -3.892 1.00 0.00 C ATOM 466 CD1 LEU A 28 4.138 -2.211 -2.582 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.542 -1.360 -4.369 1.00 0.00 C ATOM 0 H LEU A 28 5.660 2.200 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 28 6.242 -0.392 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.998 0.573 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.473 0.562 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 28 4.603 -1.910 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.721 -3.207 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.189 -2.294 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.593 -1.703 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.162 -2.377 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.939 -0.816 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.487 -0.857 -5.334 1.00 0.00 H new ATOM 479 N SER A 29 7.305 0.191 -5.448 1.00 0.00 N ATOM 480 CA SER A 29 8.231 -0.261 -6.503 1.00 0.00 C ATOM 481 C SER A 29 9.694 -0.370 -6.009 1.00 0.00 C ATOM 482 O SER A 29 10.484 -1.105 -6.605 1.00 0.00 O ATOM 483 CB SER A 29 8.127 0.693 -7.715 1.00 0.00 C ATOM 484 OG SER A 29 8.997 0.318 -8.771 1.00 0.00 O ATOM 0 H SER A 29 6.904 1.112 -5.626 1.00 0.00 H new ATOM 0 HA SER A 29 7.936 -1.268 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.100 0.703 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.362 1.709 -7.397 1.00 0.00 H new ATOM 0 HG SER A 29 8.897 0.947 -9.516 1.00 0.00 H new ATOM 490 N LYS A 30 10.059 0.346 -4.922 1.00 0.00 N ATOM 491 CA LYS A 30 11.406 0.247 -4.307 1.00 0.00 C ATOM 492 C LYS A 30 11.458 -0.897 -3.275 1.00 0.00 C ATOM 493 O LYS A 30 12.533 -1.217 -2.754 1.00 0.00 O ATOM 494 CB LYS A 30 11.792 1.574 -3.605 1.00 0.00 C ATOM 495 CG LYS A 30 11.956 2.791 -4.536 1.00 0.00 C ATOM 496 CD LYS A 30 12.369 4.064 -3.761 1.00 0.00 C ATOM 497 CE LYS A 30 12.595 5.274 -4.680 1.00 0.00 C ATOM 498 NZ LYS A 30 13.769 5.093 -5.576 1.00 0.00 N ATOM 0 H LYS A 30 9.438 1.002 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 30 12.114 0.042 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.030 1.807 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.727 1.422 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.707 2.569 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.018 2.975 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.596 4.307 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.283 3.863 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.703 5.440 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.739 6.167 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.942 5.973 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.608 4.860 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.579 4.320 -6.245 1.00 0.00 H new ATOM 512 N GLY A 31 10.285 -1.499 -2.971 1.00 0.00 N ATOM 513 CA GLY A 31 10.167 -2.538 -1.938 1.00 0.00 C ATOM 514 C GLY A 31 10.424 -2.040 -0.512 1.00 0.00 C ATOM 515 O GLY A 31 10.551 -2.853 0.414 1.00 0.00 O ATOM 0 H GLY A 31 9.404 -1.276 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.167 -2.969 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.871 -3.339 -2.163 1.00 0.00 H new ATOM 519 N VAL A 32 10.458 -0.698 -0.318 1.00 0.00 N ATOM 520 CA VAL A 32 10.736 -0.076 1.003 1.00 0.00 C ATOM 521 C VAL A 32 9.490 -0.120 1.910 1.00 0.00 C ATOM 522 O VAL A 32 9.531 0.349 3.049 1.00 0.00 O ATOM 523 CB VAL A 32 11.240 1.419 0.880 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.540 1.494 0.056 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.147 2.355 0.301 1.00 0.00 C ATOM 0 H VAL A 32 10.295 -0.022 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 32 11.537 -0.665 1.450 1.00 0.00 H new ATOM 0 HB VAL A 32 11.458 1.774 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.867 2.531 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.315 0.902 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.360 1.102 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.536 3.371 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.861 2.010 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.274 2.343 0.954 1.00 0.00 H new ATOM 535 N VAL A 33 8.380 -0.671 1.385 1.00 0.00 N ATOM 536 CA VAL A 33 7.114 -0.791 2.113 1.00 0.00 C ATOM 537 C VAL A 33 7.050 -2.167 2.788 1.00 0.00 C ATOM 538 O VAL A 33 7.236 -3.193 2.129 1.00 0.00 O ATOM 539 CB VAL A 33 5.879 -0.595 1.156 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.537 -0.599 1.934 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.041 0.700 0.335 1.00 0.00 C ATOM 0 H VAL A 33 8.342 -1.046 0.437 1.00 0.00 H new ATOM 0 HA VAL A 33 7.071 -0.006 2.868 1.00 0.00 H new ATOM 0 HB VAL A 33 5.850 -1.442 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.711 -0.461 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.419 -1.551 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.536 0.212 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.181 0.824 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.107 1.553 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.950 0.640 -0.264 1.00 0.00 H new ATOM 551 N ASP A 34 6.802 -2.164 4.103 1.00 0.00 N ATOM 552 CA ASP A 34 6.705 -3.386 4.918 1.00 0.00 C ATOM 553 C ASP A 34 5.276 -3.922 4.847 1.00 0.00 C ATOM 554 O ASP A 34 5.033 -5.088 4.530 1.00 0.00 O ATOM 555 CB ASP A 34 7.070 -3.057 6.395 1.00 0.00 C ATOM 556 CG ASP A 34 7.205 -4.294 7.296 1.00 0.00 C ATOM 557 OD1 ASP A 34 6.198 -4.741 7.867 1.00 0.00 O ATOM 558 OD2 ASP A 34 8.322 -4.827 7.425 1.00 0.00 O ATOM 0 H ASP A 34 6.661 -1.307 4.638 1.00 0.00 H new ATOM 0 HA ASP A 34 7.396 -4.138 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.009 -2.504 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.306 -2.400 6.810 1.00 0.00 H new ATOM 563 N ARG A 35 4.339 -3.009 5.128 1.00 0.00 N ATOM 564 CA ARG A 35 2.915 -3.313 5.275 1.00 0.00 C ATOM 565 C ARG A 35 2.086 -2.039 5.101 1.00 0.00 C ATOM 566 O ARG A 35 2.618 -0.920 5.118 1.00 0.00 O ATOM 567 CB ARG A 35 2.637 -3.969 6.661 1.00 0.00 C ATOM 568 CG ARG A 35 3.132 -3.142 7.865 1.00 0.00 C ATOM 569 CD ARG A 35 2.957 -3.869 9.202 1.00 0.00 C ATOM 570 NE ARG A 35 3.598 -5.198 9.197 1.00 0.00 N ATOM 571 CZ ARG A 35 3.287 -6.224 10.007 1.00 0.00 C ATOM 572 NH1 ARG A 35 2.330 -6.103 10.928 1.00 0.00 N ATOM 573 NH2 ARG A 35 3.947 -7.366 9.890 1.00 0.00 N ATOM 0 H ARG A 35 4.555 -2.021 5.262 1.00 0.00 H new ATOM 0 HA ARG A 35 2.625 -4.023 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.564 -4.133 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.113 -4.949 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.185 -2.900 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.590 -2.197 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.383 -3.264 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.894 -3.980 9.418 1.00 0.00 H new ATOM 0 HE ARG A 35 4.344 -5.352 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.823 -5.223 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.105 -6.890 11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.683 -7.460 9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.719 -8.151 10.500 1.00 0.00 H new ATOM 587 N LEU A 36 0.781 -2.228 4.890 1.00 0.00 N ATOM 588 CA LEU A 36 -0.177 -1.134 4.708 1.00 0.00 C ATOM 589 C LEU A 36 -1.208 -1.159 5.837 1.00 0.00 C ATOM 590 O LEU A 36 -2.141 -1.958 5.828 1.00 0.00 O ATOM 591 CB LEU A 36 -0.827 -1.286 3.312 1.00 0.00 C ATOM 592 CG LEU A 36 0.148 -1.061 2.120 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.549 -1.305 0.766 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.790 0.353 2.203 1.00 0.00 C ATOM 0 H LEU A 36 0.355 -3.154 4.840 1.00 0.00 H new ATOM 0 HA LEU A 36 0.319 -0.164 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.256 -2.285 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.651 -0.578 3.230 1.00 0.00 H new ATOM 0 HG LEU A 36 0.952 -1.794 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.161 -1.139 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.914 -2.331 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.388 -0.617 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.469 0.494 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.007 1.111 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.344 0.447 3.137 1.00 0.00 H new ATOM 606 N GLU A 37 -1.023 -0.260 6.809 1.00 0.00 N ATOM 607 CA GLU A 37 -1.796 -0.242 8.048 1.00 0.00 C ATOM 608 C GLU A 37 -3.000 0.688 7.898 1.00 0.00 C ATOM 609 O GLU A 37 -2.853 1.910 7.876 1.00 0.00 O ATOM 610 CB GLU A 37 -0.876 0.207 9.205 1.00 0.00 C ATOM 611 CG GLU A 37 0.404 -0.640 9.333 1.00 0.00 C ATOM 612 CD GLU A 37 1.351 -0.113 10.412 1.00 0.00 C ATOM 613 OE1 GLU A 37 2.014 0.927 10.182 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.427 -0.702 11.499 1.00 0.00 O ATOM 0 H GLU A 37 -0.325 0.482 6.754 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.175 -1.239 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.599 1.250 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.431 0.156 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.132 -1.670 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.923 -0.655 8.375 1.00 0.00 H new ATOM 621 N VAL A 38 -4.194 0.090 7.801 1.00 0.00 N ATOM 622 CA VAL A 38 -5.433 0.823 7.555 1.00 0.00 C ATOM 623 C VAL A 38 -6.054 1.174 8.913 1.00 0.00 C ATOM 624 O VAL A 38 -6.774 0.359 9.512 1.00 0.00 O ATOM 625 CB VAL A 38 -6.423 -0.011 6.663 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.684 0.805 6.306 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.709 -0.520 5.390 1.00 0.00 C ATOM 0 H VAL A 38 -4.324 -0.918 7.892 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.221 1.738 7.001 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.749 -0.876 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.347 0.199 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.202 1.093 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.394 1.700 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.410 -1.095 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.344 0.330 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.869 -1.154 5.673 1.00 0.00 H new ATOM 637 N VAL A 39 -5.699 2.369 9.424 1.00 0.00 N ATOM 638 CA VAL A 39 -6.071 2.791 10.774 1.00 0.00 C ATOM 639 C VAL A 39 -7.520 3.272 10.781 1.00 0.00 C ATOM 640 O VAL A 39 -7.841 4.281 10.155 1.00 0.00 O ATOM 641 CB VAL A 39 -5.108 3.904 11.340 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.476 4.300 12.801 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.617 3.465 11.227 1.00 0.00 C ATOM 0 H VAL A 39 -5.150 3.059 8.911 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.972 1.928 11.433 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.241 4.794 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.789 5.069 13.154 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.496 4.684 12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.401 3.424 13.445 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.975 4.251 11.625 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.463 2.548 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.368 3.288 10.181 1.00 0.00 H new ATOM 653 N ASN A 40 -8.369 2.517 11.501 1.00 0.00 N ATOM 654 CA ASN A 40 -9.813 2.783 11.682 1.00 0.00 C ATOM 655 C ASN A 40 -10.556 3.027 10.356 1.00 0.00 C ATOM 656 O ASN A 40 -11.536 3.778 10.299 1.00 0.00 O ATOM 657 CB ASN A 40 -9.971 3.948 12.687 1.00 0.00 C ATOM 658 CG ASN A 40 -9.251 3.657 14.008 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.202 2.510 14.463 1.00 0.00 O ATOM 660 ND2 ASN A 40 -8.633 4.664 14.603 1.00 0.00 N ATOM 0 H ASN A 40 -8.062 1.676 11.990 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.290 1.891 12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.573 4.863 12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.030 4.121 12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.101 4.502 15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.689 5.602 14.207 1.00 0.00 H new ATOM 667 N LYS A 41 -10.054 2.348 9.295 1.00 0.00 N ATOM 668 CA LYS A 41 -10.543 2.441 7.897 1.00 0.00 C ATOM 669 C LYS A 41 -10.287 3.841 7.259 1.00 0.00 C ATOM 670 O LYS A 41 -10.459 3.993 6.048 1.00 0.00 O ATOM 671 CB LYS A 41 -12.057 2.051 7.791 1.00 0.00 C ATOM 672 CG LYS A 41 -12.408 0.680 8.406 1.00 0.00 C ATOM 673 CD LYS A 41 -13.927 0.392 8.400 1.00 0.00 C ATOM 674 CE LYS A 41 -14.288 -0.904 9.150 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.618 -2.099 8.572 1.00 0.00 N ATOM 0 H LYS A 41 -9.272 1.700 9.392 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.961 1.719 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.653 2.819 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.346 2.049 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.892 -0.104 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.040 0.642 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.454 1.230 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.275 0.320 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.006 -0.804 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.368 -1.048 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.919 -2.950 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.879 -2.193 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.587 -1.992 8.652 1.00 0.00 H new ATOM 689 N ARG A 42 -9.803 4.817 8.066 1.00 0.00 N ATOM 690 CA ARG A 42 -9.682 6.238 7.691 1.00 0.00 C ATOM 691 C ARG A 42 -8.672 6.419 6.556 1.00 0.00 C ATOM 692 O ARG A 42 -8.963 7.042 5.523 1.00 0.00 O ATOM 693 CB ARG A 42 -9.223 7.080 8.923 1.00 0.00 C ATOM 694 CG ARG A 42 -10.068 6.937 10.210 1.00 0.00 C ATOM 695 CD ARG A 42 -11.511 7.450 10.070 1.00 0.00 C ATOM 696 NE ARG A 42 -12.243 7.437 11.360 1.00 0.00 N ATOM 697 CZ ARG A 42 -13.197 6.557 11.725 1.00 0.00 C ATOM 698 NH1 ARG A 42 -13.563 5.561 10.919 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.782 6.690 12.912 1.00 0.00 N ATOM 0 H ARG A 42 -9.480 4.629 9.015 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.660 6.581 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.194 6.807 9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.216 8.131 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.093 5.887 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.577 7.480 11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.496 8.465 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.044 6.834 9.346 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.002 8.163 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.119 5.454 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.287 4.906 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.507 7.451 13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.505 6.031 13.201 1.00 0.00 H new ATOM 713 N PHE A 43 -7.489 5.822 6.762 1.00 0.00 N ATOM 714 CA PHE A 43 -6.356 5.945 5.848 1.00 0.00 C ATOM 715 C PHE A 43 -5.514 4.678 5.870 1.00 0.00 C ATOM 716 O PHE A 43 -5.549 3.902 6.829 1.00 0.00 O ATOM 717 CB PHE A 43 -5.459 7.171 6.197 1.00 0.00 C ATOM 718 CG PHE A 43 -4.787 7.139 7.584 1.00 0.00 C ATOM 719 CD1 PHE A 43 -5.486 7.534 8.723 1.00 0.00 C ATOM 720 CD2 PHE A 43 -3.460 6.725 7.739 1.00 0.00 C ATOM 721 CE1 PHE A 43 -4.887 7.517 9.968 1.00 0.00 C ATOM 722 CE2 PHE A 43 -2.862 6.708 8.986 1.00 0.00 C ATOM 723 CZ PHE A 43 -3.576 7.105 10.101 1.00 0.00 C ATOM 0 H PHE A 43 -7.295 5.237 7.575 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.765 6.096 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.680 7.255 5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.067 8.073 6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.512 7.858 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.894 6.414 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.446 7.827 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.837 6.384 9.089 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.109 7.093 11.075 1.00 0.00 H new ATOM 733 N VAL A 44 -4.737 4.517 4.806 1.00 0.00 N ATOM 734 CA VAL A 44 -3.715 3.488 4.685 1.00 0.00 C ATOM 735 C VAL A 44 -2.366 4.151 4.959 1.00 0.00 C ATOM 736 O VAL A 44 -2.023 5.126 4.286 1.00 0.00 O ATOM 737 CB VAL A 44 -3.706 2.876 3.244 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.624 1.792 3.106 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.102 2.338 2.867 1.00 0.00 C ATOM 0 H VAL A 44 -4.803 5.115 3.982 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.915 2.683 5.392 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.458 3.671 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.643 1.386 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.645 2.228 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.817 0.993 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.071 1.918 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.397 1.563 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.826 3.152 2.898 1.00 0.00 H new ATOM 749 N ARG A 45 -1.619 3.644 5.944 1.00 0.00 N ATOM 750 CA ARG A 45 -0.296 4.173 6.282 1.00 0.00 C ATOM 751 C ARG A 45 0.765 3.248 5.690 1.00 0.00 C ATOM 752 O ARG A 45 0.720 2.024 5.880 1.00 0.00 O ATOM 753 CB ARG A 45 -0.103 4.322 7.811 1.00 0.00 C ATOM 754 CG ARG A 45 1.250 4.967 8.208 1.00 0.00 C ATOM 755 CD ARG A 45 1.407 5.139 9.728 1.00 0.00 C ATOM 756 NE ARG A 45 1.243 3.863 10.443 1.00 0.00 N ATOM 757 CZ ARG A 45 0.610 3.703 11.619 1.00 0.00 C ATOM 758 NH1 ARG A 45 0.060 4.741 12.239 1.00 0.00 N ATOM 759 NH2 ARG A 45 0.547 2.499 12.153 1.00 0.00 N ATOM 0 H ARG A 45 -1.913 2.860 6.526 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.200 5.173 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.916 4.926 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.177 3.339 8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.066 4.350 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.338 5.941 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.391 5.554 9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.670 5.856 10.091 1.00 0.00 H new ATOM 0 HE ARG A 45 1.643 3.030 10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.115 5.671 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.418 4.608 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.975 1.706 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.071 2.361 13.044 1.00 0.00 H new ATOM 773 N VAL A 46 1.704 3.857 4.972 1.00 0.00 N ATOM 774 CA VAL A 46 2.804 3.162 4.321 1.00 0.00 C ATOM 775 C VAL A 46 3.926 2.991 5.349 1.00 0.00 C ATOM 776 O VAL A 46 4.534 3.981 5.790 1.00 0.00 O ATOM 777 CB VAL A 46 3.306 3.966 3.068 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.484 3.261 2.360 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.138 4.248 2.088 1.00 0.00 C ATOM 0 H VAL A 46 1.720 4.866 4.825 1.00 0.00 H new ATOM 0 HA VAL A 46 2.475 2.186 3.964 1.00 0.00 H new ATOM 0 HB VAL A 46 3.684 4.924 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.798 3.852 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.318 3.160 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.168 2.273 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.511 4.806 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.710 3.304 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.371 4.833 2.595 1.00 0.00 H new ATOM 789 N THR A 47 4.146 1.745 5.769 1.00 0.00 N ATOM 790 CA THR A 47 5.198 1.406 6.726 1.00 0.00 C ATOM 791 C THR A 47 6.523 1.258 5.979 1.00 0.00 C ATOM 792 O THR A 47 6.556 0.647 4.915 1.00 0.00 O ATOM 793 CB THR A 47 4.863 0.064 7.443 1.00 0.00 C ATOM 794 OG1 THR A 47 3.509 0.095 7.907 1.00 0.00 O ATOM 795 CG2 THR A 47 5.800 -0.229 8.633 1.00 0.00 C ATOM 0 H THR A 47 3.600 0.943 5.455 1.00 0.00 H new ATOM 0 HA THR A 47 5.272 2.198 7.471 1.00 0.00 H new ATOM 0 HB THR A 47 5.005 -0.733 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.479 0.494 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.519 -1.176 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.829 -0.289 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.715 0.571 9.369 1.00 0.00 H new ATOM 803 N PHE A 48 7.587 1.842 6.521 1.00 0.00 N ATOM 804 CA PHE A 48 8.949 1.631 6.022 1.00 0.00 C ATOM 805 C PHE A 48 9.499 0.329 6.631 1.00 0.00 C ATOM 806 O PHE A 48 9.405 0.134 7.841 1.00 0.00 O ATOM 807 CB PHE A 48 9.834 2.849 6.371 1.00 0.00 C ATOM 808 CG PHE A 48 9.296 4.170 5.801 1.00 0.00 C ATOM 809 CD1 PHE A 48 9.492 4.499 4.457 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.563 5.059 6.596 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.982 5.674 3.933 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.049 6.229 6.065 1.00 0.00 C ATOM 813 CZ PHE A 48 8.260 6.535 4.735 1.00 0.00 C ATOM 0 H PHE A 48 7.533 2.476 7.319 1.00 0.00 H new ATOM 0 HA PHE A 48 8.948 1.534 4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.913 2.934 7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.841 2.680 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.048 3.828 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.396 4.829 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.149 5.918 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.483 6.903 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.860 7.449 4.322 1.00 0.00 H new ATOM 823 N THR A 49 10.009 -0.572 5.783 1.00 0.00 N ATOM 824 CA THR A 49 10.512 -1.889 6.214 1.00 0.00 C ATOM 825 C THR A 49 11.866 -1.737 6.966 1.00 0.00 C ATOM 826 O THR A 49 12.611 -0.797 6.673 1.00 0.00 O ATOM 827 CB THR A 49 10.600 -2.877 4.984 1.00 0.00 C ATOM 828 OG1 THR A 49 10.687 -4.241 5.428 1.00 0.00 O ATOM 829 CG2 THR A 49 11.778 -2.574 4.044 1.00 0.00 C ATOM 0 H THR A 49 10.086 -0.412 4.779 1.00 0.00 H new ATOM 0 HA THR A 49 9.809 -2.329 6.921 1.00 0.00 H new ATOM 0 HB THR A 49 9.681 -2.726 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.974 -4.420 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.780 -3.289 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.676 -1.564 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.714 -2.654 4.596 1.00 0.00 H new ATOM 960 N TYR A 59 6.178 9.835 8.186 1.00 0.00 N ATOM 961 CA TYR A 59 5.371 8.728 7.633 1.00 0.00 C ATOM 962 C TYR A 59 4.469 9.189 6.499 1.00 0.00 C ATOM 963 O TYR A 59 3.786 10.206 6.598 1.00 0.00 O ATOM 964 CB TYR A 59 4.531 8.081 8.758 1.00 0.00 C ATOM 965 CG TYR A 59 5.402 7.714 9.958 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.303 6.652 9.882 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.384 8.476 11.121 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.144 6.365 10.932 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.218 8.179 12.172 1.00 0.00 C ATOM 970 CZ TYR A 59 7.096 7.131 12.070 1.00 0.00 C ATOM 971 OH TYR A 59 7.939 6.855 13.108 1.00 0.00 O ATOM 0 HA TYR A 59 6.058 7.990 7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.747 8.770 9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.036 7.187 8.378 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.341 6.048 8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.705 9.313 11.199 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.839 5.541 10.861 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.182 8.769 13.076 1.00 0.00 H new ATOM 0 HH TYR A 59 7.779 7.490 13.837 1.00 0.00 H new ATOM 981 N VAL A 60 4.426 8.393 5.436 1.00 0.00 N ATOM 982 CA VAL A 60 3.651 8.716 4.245 1.00 0.00 C ATOM 983 C VAL A 60 2.410 7.823 4.202 1.00 0.00 C ATOM 984 O VAL A 60 2.457 6.659 4.600 1.00 0.00 O ATOM 985 CB VAL A 60 4.514 8.599 2.934 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.603 9.704 2.892 1.00 0.00 C ATOM 987 CG2 VAL A 60 5.142 7.194 2.792 1.00 0.00 C ATOM 0 H VAL A 60 4.927 7.507 5.376 1.00 0.00 H new ATOM 0 HA VAL A 60 3.333 9.757 4.297 1.00 0.00 H new ATOM 0 HB VAL A 60 3.848 8.745 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.188 9.604 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.127 10.685 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.260 9.600 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.731 7.150 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.787 6.996 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.352 6.445 2.752 1.00 0.00 H new ATOM 997 N TRP A 61 1.287 8.413 3.784 1.00 0.00 N ATOM 998 CA TRP A 61 -0.040 7.776 3.858 1.00 0.00 C ATOM 999 C TRP A 61 -0.992 8.408 2.837 1.00 0.00 C ATOM 1000 O TRP A 61 -0.644 9.383 2.182 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.617 7.899 5.305 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.747 9.324 5.808 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.243 10.093 6.361 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.932 10.140 5.809 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.246 11.330 6.681 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.576 11.387 6.352 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.253 9.938 5.394 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.490 12.427 6.489 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.162 10.968 5.537 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.777 12.203 6.077 1.00 0.00 C ATOM 0 H TRP A 61 1.268 9.350 3.382 1.00 0.00 H new ATOM 0 HA TRP A 61 0.063 6.718 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.598 7.426 5.333 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.025 7.343 5.988 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.261 9.770 6.521 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.293 12.089 7.098 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.557 8.993 4.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.195 13.379 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.186 10.819 5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.508 12.992 6.170 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.192 7.830 2.709 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.267 8.355 1.855 1.00 0.00 C ATOM 1023 C PHE A 62 -4.616 7.935 2.432 1.00 0.00 C ATOM 1024 O PHE A 62 -4.754 6.815 2.925 1.00 0.00 O ATOM 1025 CB PHE A 62 -3.098 7.875 0.378 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.867 6.363 0.175 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.582 5.816 0.246 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.927 5.503 -0.103 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.371 4.466 0.037 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.714 4.151 -0.310 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.435 3.632 -0.236 1.00 0.00 C ATOM 0 H PHE A 62 -2.448 6.974 3.201 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.216 9.444 1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.989 8.163 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.258 8.412 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.742 6.458 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.931 5.897 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.370 4.063 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.548 3.501 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.269 2.576 -0.392 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.614 8.845 2.375 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.976 8.534 2.859 1.00 0.00 C ATOM 1043 C ASN A 63 -7.707 7.685 1.805 1.00 0.00 C ATOM 1044 O ASN A 63 -7.450 7.815 0.602 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.809 9.801 3.218 1.00 0.00 C ATOM 1046 CG ASN A 63 -8.201 10.693 2.029 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -9.177 10.422 1.321 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -7.491 11.790 1.837 1.00 0.00 N ATOM 0 H ASN A 63 -5.504 9.789 2.004 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.871 7.974 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.719 9.484 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.239 10.401 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.744 12.437 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.690 11.990 2.436 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.586 6.791 2.260 1.00 0.00 N ATOM 1056 CA ILE A 64 -9.436 5.972 1.380 1.00 0.00 C ATOM 1057 C ILE A 64 -10.913 6.179 1.763 1.00 0.00 C ATOM 1058 O ILE A 64 -11.218 6.571 2.892 1.00 0.00 O ATOM 1059 CB ILE A 64 -9.045 4.439 1.449 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -9.122 3.901 2.922 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.639 4.184 0.833 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.766 2.432 3.087 1.00 0.00 C ATOM 0 H ILE A 64 -8.733 6.610 3.253 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.280 6.293 0.350 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.772 3.887 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.453 4.494 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.132 4.059 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.401 3.122 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.638 4.495 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.892 4.757 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.848 2.154 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.450 1.823 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.744 2.265 2.746 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.813 5.970 0.794 1.00 0.00 N ATOM 1075 CA GLY A 65 -13.264 6.012 1.031 1.00 0.00 C ATOM 1076 C GLY A 65 -13.884 4.638 0.847 1.00 0.00 C ATOM 1077 O GLY A 65 -14.833 4.260 1.541 1.00 0.00 O ATOM 0 H GLY A 65 -11.559 5.768 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.461 6.372 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.728 6.720 0.344 1.00 0.00 H new ATOM 1081 N SER A 66 -13.320 3.883 -0.105 1.00 0.00 N ATOM 1082 CA SER A 66 -13.691 2.501 -0.394 1.00 0.00 C ATOM 1083 C SER A 66 -12.466 1.601 -0.138 1.00 0.00 C ATOM 1084 O SER A 66 -11.541 1.544 -0.966 1.00 0.00 O ATOM 1085 CB SER A 66 -14.169 2.393 -1.856 1.00 0.00 C ATOM 1086 OG SER A 66 -15.197 3.339 -2.127 1.00 0.00 O ATOM 0 H SER A 66 -12.574 4.230 -0.708 1.00 0.00 H new ATOM 0 HA SER A 66 -14.508 2.177 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.329 2.560 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.537 1.385 -2.049 1.00 0.00 H new ATOM 0 HG SER A 66 -15.483 3.253 -3.060 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.445 0.948 1.042 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.385 -0.022 1.409 1.00 0.00 C ATOM 1094 C VAL A 67 -11.372 -1.195 0.407 1.00 0.00 C ATOM 1095 O VAL A 67 -10.311 -1.697 0.048 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.559 -0.591 2.874 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.349 -1.477 3.276 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.792 0.540 3.910 1.00 0.00 C ATOM 0 H VAL A 67 -13.154 1.074 1.764 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.439 0.518 1.375 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.451 -1.217 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.495 -1.855 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.266 -2.315 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.435 -0.884 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.907 0.106 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.939 1.218 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.695 1.092 3.649 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.576 -1.574 -0.068 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.778 -2.689 -1.018 1.00 0.00 C ATOM 1110 C ASP A 68 -12.056 -2.408 -2.351 1.00 0.00 C ATOM 1111 O ASP A 68 -11.445 -3.306 -2.938 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.301 -2.911 -1.257 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.632 -4.226 -1.991 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.807 -5.269 -1.318 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.698 -4.231 -3.233 1.00 0.00 O ATOM 0 H ASP A 68 -13.444 -1.111 0.199 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.352 -3.596 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.815 -2.903 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.694 -2.075 -1.835 1.00 0.00 H new ATOM 1120 N THR A 69 -12.130 -1.136 -2.804 1.00 0.00 N ATOM 1121 CA THR A 69 -11.440 -0.678 -4.024 1.00 0.00 C ATOM 1122 C THR A 69 -9.916 -0.686 -3.818 1.00 0.00 C ATOM 1123 O THR A 69 -9.181 -1.133 -4.698 1.00 0.00 O ATOM 1124 CB THR A 69 -11.923 0.744 -4.463 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.356 0.751 -4.544 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.338 1.181 -5.826 1.00 0.00 C ATOM 0 H THR A 69 -12.666 -0.406 -2.336 1.00 0.00 H new ATOM 0 HA THR A 69 -11.692 -1.375 -4.824 1.00 0.00 H new ATOM 0 HB THR A 69 -11.568 1.452 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.664 1.640 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.708 2.175 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.250 1.203 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.643 0.473 -6.597 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.470 -0.207 -2.632 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.045 -0.225 -2.228 1.00 0.00 C ATOM 1136 C PHE A 70 -7.456 -1.652 -2.302 1.00 0.00 C ATOM 1137 O PHE A 70 -6.339 -1.842 -2.772 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.870 0.371 -0.790 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.537 -0.004 -0.110 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.326 0.527 -0.565 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.498 -0.933 0.933 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.129 0.141 -0.001 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.298 -1.309 1.503 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.114 -0.776 1.034 1.00 0.00 C ATOM 0 H PHE A 70 -10.087 0.202 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.493 0.399 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.943 1.457 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.694 0.029 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.329 1.249 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.419 -1.363 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.202 0.555 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.286 -2.020 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.175 -1.075 1.476 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.218 -2.637 -1.814 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.791 -4.042 -1.799 1.00 0.00 C ATOM 1156 C GLU A 71 -7.624 -4.574 -3.228 1.00 0.00 C ATOM 1157 O GLU A 71 -6.580 -5.121 -3.569 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.826 -4.913 -1.042 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.975 -4.588 0.451 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.126 -5.362 1.119 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.914 -6.529 1.534 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.249 -4.825 1.225 1.00 0.00 O ATOM 0 H GLU A 71 -9.146 -2.484 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.831 -4.096 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.797 -4.798 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.542 -5.960 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.042 -4.821 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.146 -3.518 0.570 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.663 -4.378 -4.065 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.719 -4.985 -5.411 1.00 0.00 C ATOM 1171 C ARG A 72 -7.688 -4.358 -6.376 1.00 0.00 C ATOM 1172 O ARG A 72 -7.145 -5.059 -7.243 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.179 -4.995 -5.988 1.00 0.00 C ATOM 1174 CG ARG A 72 -10.920 -3.643 -6.198 1.00 0.00 C ATOM 1175 CD ARG A 72 -10.408 -2.807 -7.393 1.00 0.00 C ATOM 1176 NE ARG A 72 -10.109 -3.652 -8.565 1.00 0.00 N ATOM 1177 CZ ARG A 72 -9.269 -3.330 -9.564 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -8.633 -2.165 -9.564 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -9.022 -4.203 -10.526 1.00 0.00 N ATOM 0 H ARG A 72 -9.474 -3.805 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.429 -6.030 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.148 -5.506 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.791 -5.605 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.982 -3.844 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.828 -3.048 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.157 -2.063 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.510 -2.264 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.579 -4.556 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.779 -1.504 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.998 -1.931 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.469 -5.120 -10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.385 -3.960 -11.284 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.425 -3.038 -6.228 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.406 -2.347 -7.043 1.00 0.00 C ATOM 1195 C ASN A 73 -5.001 -2.730 -6.572 1.00 0.00 C ATOM 1196 O ASN A 73 -4.102 -2.814 -7.380 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.604 -0.792 -7.097 1.00 0.00 C ATOM 1198 CG ASN A 73 -6.508 -0.028 -5.761 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -5.709 -0.332 -4.904 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.359 0.971 -5.569 1.00 0.00 N ATOM 0 H ASN A 73 -7.902 -2.437 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.533 -2.687 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.860 -0.379 -7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.582 -0.590 -7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.344 1.492 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.028 1.218 -6.298 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.842 -2.970 -5.259 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.591 -3.491 -4.668 1.00 0.00 C ATOM 1209 C LEU A 74 -3.271 -4.896 -5.212 1.00 0.00 C ATOM 1210 O LEU A 74 -2.119 -5.182 -5.543 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.694 -3.517 -3.118 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.410 -3.952 -2.349 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.240 -2.965 -2.576 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.698 -4.150 -0.844 1.00 0.00 C ATOM 0 H LEU A 74 -5.579 -2.808 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.776 -2.824 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.976 -2.521 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.504 -4.191 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.100 -4.914 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.365 -3.305 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.003 -2.920 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.528 -1.973 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.783 -4.453 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.058 -3.214 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.456 -4.922 -0.717 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.306 -5.751 -5.305 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.178 -7.116 -5.850 1.00 0.00 C ATOM 1228 C GLU A 75 -3.691 -7.072 -7.310 1.00 0.00 C ATOM 1229 O GLU A 75 -2.675 -7.687 -7.647 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.528 -7.879 -5.777 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.040 -8.184 -4.360 1.00 0.00 C ATOM 1232 CD GLU A 75 -5.092 -9.075 -3.546 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.985 -10.287 -3.855 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -4.465 -8.584 -2.587 1.00 0.00 O ATOM 0 H GLU A 75 -5.252 -5.516 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.445 -7.645 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.285 -7.294 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.423 -8.820 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.191 -7.245 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.013 -8.671 -4.430 1.00 0.00 H new ATOM 1241 N THR A 76 -4.402 -6.287 -8.146 1.00 0.00 N ATOM 1242 CA THR A 76 -4.092 -6.149 -9.584 1.00 0.00 C ATOM 1243 C THR A 76 -2.687 -5.551 -9.784 1.00 0.00 C ATOM 1244 O THR A 76 -1.930 -5.999 -10.634 1.00 0.00 O ATOM 1245 CB THR A 76 -5.155 -5.259 -10.316 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.472 -5.802 -10.105 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.880 -5.146 -11.836 1.00 0.00 C ATOM 0 H THR A 76 -5.204 -5.733 -7.845 1.00 0.00 H new ATOM 0 HA THR A 76 -4.120 -7.148 -10.020 1.00 0.00 H new ATOM 0 HB THR A 76 -5.087 -4.257 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.778 -5.576 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.643 -4.520 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.899 -4.700 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.905 -6.139 -12.285 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.383 -4.537 -8.960 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.092 -3.815 -8.949 1.00 0.00 C ATOM 1257 C LEU A 77 0.078 -4.788 -8.732 1.00 0.00 C ATOM 1258 O LEU A 77 1.082 -4.743 -9.451 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.135 -2.705 -7.852 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.130 -1.518 -7.968 1.00 0.00 C ATOM 1261 CD1 LEU A 77 1.307 -1.920 -7.587 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.190 -0.884 -9.376 1.00 0.00 C ATOM 0 H LEU A 77 -3.040 -4.184 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.931 -3.340 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.142 -2.289 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.975 -3.184 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.438 -0.765 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.965 -1.056 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.325 -2.274 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.650 -2.715 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.519 -0.058 -9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.065 -1.635 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.197 -0.511 -9.565 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.073 -5.657 -7.733 1.00 0.00 N ATOM 1275 CA GLN A 78 0.930 -6.670 -7.393 1.00 0.00 C ATOM 1276 C GLN A 78 1.090 -7.696 -8.529 1.00 0.00 C ATOM 1277 O GLN A 78 2.200 -8.138 -8.809 1.00 0.00 O ATOM 1278 CB GLN A 78 0.546 -7.361 -6.059 1.00 0.00 C ATOM 1279 CG GLN A 78 0.729 -6.480 -4.805 1.00 0.00 C ATOM 1280 CD GLN A 78 0.285 -7.158 -3.504 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.295 -8.379 -3.386 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.065 -6.368 -2.498 1.00 0.00 N ATOM 0 H GLN A 78 -0.898 -5.680 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 78 1.895 -6.179 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.495 -7.678 -6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.148 -8.262 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.779 -6.201 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.163 -5.557 -4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.065 -5.355 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.334 -6.773 -1.601 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.030 -8.044 -9.194 1.00 0.00 N ATOM 1292 CA GLN A 79 -0.027 -8.954 -10.362 1.00 0.00 C ATOM 1293 C GLN A 79 0.757 -8.337 -11.534 1.00 0.00 C ATOM 1294 O GLN A 79 1.501 -9.041 -12.228 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.481 -9.291 -10.790 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.283 -10.062 -9.725 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.778 -10.190 -10.052 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -4.355 -9.335 -10.718 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -4.420 -11.248 -9.580 1.00 0.00 N ATOM 0 H GLN A 79 -0.958 -7.706 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 79 0.471 -9.880 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.004 -8.364 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.452 -9.881 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.858 -11.059 -9.614 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.172 -9.559 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.919 -11.945 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.416 -11.366 -9.767 1.00 0.00 H new ATOM 1308 N GLU A 80 0.590 -7.013 -11.725 1.00 0.00 N ATOM 1309 CA GLU A 80 1.312 -6.228 -12.745 1.00 0.00 C ATOM 1310 C GLU A 80 2.831 -6.273 -12.508 1.00 0.00 C ATOM 1311 O GLU A 80 3.609 -6.583 -13.419 1.00 0.00 O ATOM 1312 CB GLU A 80 0.831 -4.746 -12.735 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.620 -4.526 -13.200 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.103 -3.076 -13.035 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.673 -2.201 -13.822 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.904 -2.791 -12.116 1.00 0.00 O ATOM 0 H GLU A 80 -0.057 -6.453 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 80 1.096 -6.673 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.935 -4.354 -11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.493 -4.161 -13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.705 -4.812 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.278 -5.186 -12.636 1.00 0.00 H new ATOM 1323 N LEU A 81 3.238 -5.963 -11.264 1.00 0.00 N ATOM 1324 CA LEU A 81 4.657 -5.826 -10.889 1.00 0.00 C ATOM 1325 C LEU A 81 5.302 -7.190 -10.556 1.00 0.00 C ATOM 1326 O LEU A 81 6.510 -7.260 -10.278 1.00 0.00 O ATOM 1327 CB LEU A 81 4.805 -4.836 -9.697 1.00 0.00 C ATOM 1328 CG LEU A 81 4.174 -3.411 -9.877 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.593 -2.461 -8.727 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.506 -2.803 -11.258 1.00 0.00 C ATOM 0 H LEU A 81 2.593 -5.800 -10.491 1.00 0.00 H new ATOM 0 HA LEU A 81 5.190 -5.424 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.358 -5.296 -8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.868 -4.713 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 81 3.092 -3.531 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.140 -1.482 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.256 -2.871 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.678 -2.361 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.050 -1.817 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.587 -2.713 -11.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.116 -3.450 -12.044 1.00 0.00 H new ATOM 1342 N GLY A 82 4.496 -8.273 -10.598 1.00 0.00 N ATOM 1343 CA GLY A 82 4.973 -9.627 -10.284 1.00 0.00 C ATOM 1344 C GLY A 82 5.180 -9.853 -8.788 1.00 0.00 C ATOM 1345 O GLY A 82 5.724 -10.884 -8.384 1.00 0.00 O ATOM 0 H GLY A 82 3.508 -8.229 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.255 -10.356 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.913 -9.806 -10.807 1.00 0.00 H new ATOM 1349 N ILE A 83 4.711 -8.889 -7.973 1.00 0.00 N ATOM 1350 CA ILE A 83 4.804 -8.914 -6.504 1.00 0.00 C ATOM 1351 C ILE A 83 3.791 -9.947 -5.950 1.00 0.00 C ATOM 1352 O ILE A 83 2.585 -9.806 -6.172 1.00 0.00 O ATOM 1353 CB ILE A 83 4.514 -7.466 -5.924 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.519 -6.415 -6.491 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.536 -7.448 -4.391 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.338 -4.988 -5.974 1.00 0.00 C ATOM 0 H ILE A 83 4.247 -8.053 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 83 5.808 -9.207 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 83 3.509 -7.194 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.532 -6.743 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.432 -6.403 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.333 -6.438 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.774 -8.127 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.517 -7.766 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.085 -4.338 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.341 -4.631 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.458 -4.975 -4.891 1.00 0.00 H new ATOM 1368 N GLU A 84 4.299 -10.986 -5.254 1.00 0.00 N ATOM 1369 CA GLU A 84 3.492 -12.140 -4.807 1.00 0.00 C ATOM 1370 C GLU A 84 4.272 -13.010 -3.808 1.00 0.00 C ATOM 1371 O GLU A 84 5.462 -12.774 -3.551 1.00 0.00 O ATOM 1372 CB GLU A 84 3.041 -12.994 -6.029 1.00 0.00 C ATOM 1373 CG GLU A 84 4.195 -13.584 -6.867 1.00 0.00 C ATOM 1374 CD GLU A 84 3.703 -14.349 -8.105 1.00 0.00 C ATOM 1375 OE1 GLU A 84 3.508 -13.721 -9.172 1.00 0.00 O ATOM 1376 OE2 GLU A 84 3.498 -15.577 -8.016 1.00 0.00 O ATOM 0 H GLU A 84 5.281 -11.048 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 84 2.607 -11.754 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.415 -13.812 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.419 -12.376 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.857 -12.778 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.785 -14.254 -6.242 1.00 0.00 H new ATOM 1383 N GLY A 85 3.569 -14.012 -3.249 1.00 0.00 N ATOM 1384 CA GLY A 85 4.144 -14.963 -2.302 1.00 0.00 C ATOM 1385 C GLY A 85 4.602 -14.300 -1.015 1.00 0.00 C ATOM 1386 O GLY A 85 3.798 -13.655 -0.338 1.00 0.00 O ATOM 0 H GLY A 85 2.582 -14.179 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.405 -15.730 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.991 -15.467 -2.768 1.00 0.00 H new ATOM 1390 N GLU A 86 5.892 -14.447 -0.682 1.00 0.00 N ATOM 1391 CA GLU A 86 6.511 -13.781 0.472 1.00 0.00 C ATOM 1392 C GLU A 86 6.775 -12.292 0.152 1.00 0.00 C ATOM 1393 O GLU A 86 6.616 -11.428 1.018 1.00 0.00 O ATOM 1394 CB GLU A 86 7.830 -14.517 0.848 1.00 0.00 C ATOM 1395 CG GLU A 86 8.538 -13.999 2.115 1.00 0.00 C ATOM 1396 CD GLU A 86 9.836 -14.770 2.419 1.00 0.00 C ATOM 1397 OE1 GLU A 86 10.888 -14.440 1.827 1.00 0.00 O ATOM 1398 OE2 GLU A 86 9.798 -15.746 3.206 1.00 0.00 O ATOM 0 H GLU A 86 6.539 -15.034 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 86 5.833 -13.823 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.609 -15.576 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.521 -14.440 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.768 -12.941 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.862 -14.082 2.966 1.00 0.00 H new ATOM 1405 N ASN A 87 7.108 -12.000 -1.125 1.00 0.00 N ATOM 1406 CA ASN A 87 7.571 -10.661 -1.563 1.00 0.00 C ATOM 1407 C ASN A 87 6.424 -9.635 -1.631 1.00 0.00 C ATOM 1408 O ASN A 87 6.678 -8.448 -1.882 1.00 0.00 O ATOM 1409 CB ASN A 87 8.281 -10.746 -2.945 1.00 0.00 C ATOM 1410 CG ASN A 87 9.541 -11.613 -2.944 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.199 -11.768 -1.917 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.906 -12.160 -4.100 1.00 0.00 N ATOM 0 H ASN A 87 7.064 -12.683 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 87 8.280 -10.317 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.580 -11.143 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.545 -9.739 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.753 -12.726 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.339 -12.013 -4.935 1.00 0.00 H new ATOM 1419 N ARG A 88 5.168 -10.086 -1.421 1.00 0.00 N ATOM 1420 CA ARG A 88 3.995 -9.194 -1.454 1.00 0.00 C ATOM 1421 C ARG A 88 3.846 -8.423 -0.139 1.00 0.00 C ATOM 1422 O ARG A 88 4.348 -8.843 0.905 1.00 0.00 O ATOM 1423 CB ARG A 88 2.704 -9.961 -1.837 1.00 0.00 C ATOM 1424 CG ARG A 88 2.150 -10.938 -0.783 1.00 0.00 C ATOM 1425 CD ARG A 88 0.980 -11.795 -1.319 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.052 -10.986 -2.010 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.345 -11.310 -2.165 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.849 -12.442 -1.669 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -2.131 -10.490 -2.848 1.00 0.00 N ATOM 0 H ARG A 88 4.944 -11.062 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 88 4.161 -8.456 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.928 -9.231 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.897 -10.520 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.952 -11.595 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.813 -10.374 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.370 -12.544 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.519 -12.333 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 88 0.250 -10.096 -2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.247 -13.087 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.836 -12.662 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.750 -9.631 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.117 -10.718 -2.977 1.00 0.00 H new ATOM 1443 N VAL A 89 3.163 -7.278 -0.215 1.00 0.00 N ATOM 1444 CA VAL A 89 2.999 -6.358 0.921 1.00 0.00 C ATOM 1445 C VAL A 89 1.618 -6.591 1.569 1.00 0.00 C ATOM 1446 O VAL A 89 0.590 -6.386 0.910 1.00 0.00 O ATOM 1447 CB VAL A 89 3.186 -4.864 0.457 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.783 -3.844 1.551 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.653 -4.633 0.005 1.00 0.00 C ATOM 0 H VAL A 89 2.705 -6.959 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 89 3.767 -6.557 1.668 1.00 0.00 H new ATOM 0 HB VAL A 89 2.514 -4.697 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.932 -2.831 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.734 -3.984 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.399 -3.998 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.777 -3.598 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.327 -4.839 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.887 -5.300 -0.825 1.00 0.00 H new ATOM 1459 N PRO A 90 1.584 -7.077 2.857 1.00 0.00 N ATOM 1460 CA PRO A 90 0.326 -7.358 3.583 1.00 0.00 C ATOM 1461 C PRO A 90 -0.361 -6.080 4.110 1.00 0.00 C ATOM 1462 O PRO A 90 0.252 -5.024 4.223 1.00 0.00 O ATOM 1463 CB PRO A 90 0.802 -8.275 4.731 1.00 0.00 C ATOM 1464 CG PRO A 90 2.197 -7.825 5.020 1.00 0.00 C ATOM 1465 CD PRO A 90 2.777 -7.422 3.686 1.00 0.00 C ATOM 0 HA PRO A 90 -0.436 -7.811 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.164 -8.175 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.777 -9.324 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.202 -6.988 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.781 -8.625 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.452 -6.572 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.351 -8.234 3.240 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.657 -6.213 4.406 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.491 -5.122 4.941 1.00 0.00 C ATOM 1475 C VAL A 91 -2.859 -5.423 6.401 1.00 0.00 C ATOM 1476 O VAL A 91 -3.278 -6.535 6.716 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.789 -4.926 4.077 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.657 -3.770 4.604 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.442 -4.702 2.589 1.00 0.00 C ATOM 0 H VAL A 91 -2.166 -7.088 4.281 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.920 -4.195 4.897 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.369 -5.845 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.544 -3.667 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.958 -3.980 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.084 -2.843 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.360 -4.570 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.822 -3.811 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.899 -5.567 2.208 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.692 -4.427 7.293 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.981 -4.569 8.731 1.00 0.00 C ATOM 1491 C VAL A 92 -4.096 -3.586 9.112 1.00 0.00 C ATOM 1492 O VAL A 92 -3.844 -2.393 9.326 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.700 -4.316 9.620 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.965 -4.657 11.111 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.484 -5.093 9.073 1.00 0.00 C ATOM 0 H VAL A 92 -2.352 -3.501 7.035 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.301 -5.594 8.919 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.467 -3.253 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.062 -4.471 11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.775 -4.033 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.244 -5.707 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.384 -4.901 9.704 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.704 -6.161 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.272 -4.767 8.055 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.332 -4.091 9.157 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.516 -3.298 9.509 1.00 0.00 C ATOM 1507 C TYR A 93 -6.514 -2.997 11.013 1.00 0.00 C ATOM 1508 O TYR A 93 -6.838 -3.870 11.822 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.796 -4.062 9.094 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.885 -4.358 7.585 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.195 -3.341 6.682 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.645 -5.636 7.067 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.261 -3.585 5.331 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.708 -5.879 5.708 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.021 -4.849 4.848 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.076 -5.075 3.499 1.00 0.00 O ATOM 0 H TYR A 93 -5.542 -5.067 8.949 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.494 -2.349 8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.839 -5.003 9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.668 -3.479 9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.387 -2.344 7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.407 -6.446 7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.502 -2.783 4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.513 -6.869 5.323 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.882 -6.018 3.317 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.102 -1.774 11.383 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.067 -1.346 12.785 1.00 0.00 C ATOM 1528 C ILE A 94 -7.497 -0.977 13.216 1.00 0.00 C ATOM 1529 O ILE A 94 -8.142 -0.127 12.599 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.079 -0.132 12.999 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.646 -0.476 12.469 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.030 0.332 14.478 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.983 -1.689 13.122 1.00 0.00 C ATOM 0 H ILE A 94 -5.787 -1.062 10.724 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.693 -2.163 13.402 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.468 0.703 12.417 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.706 -0.649 11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.004 0.392 12.617 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.337 1.168 14.574 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.025 0.647 14.794 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.693 -0.492 15.107 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.996 -1.843 12.686 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.883 -1.516 14.194 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.596 -2.574 12.953 1.00 0.00 H new