USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 538 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 20 SER OG : rot 14:sc= 1.26 USER MOD Set 1.2: A 46 CYS SG : rot 170:sc= 0.635 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -6.19! C(o=-6.2!,f=-2.5!) USER MOD Single : A 22 GLN : amide:sc=-0.00266 X(o=-0.0027,f=-0.13) USER MOD Single : A 26 GLN : amide:sc= -0.501 K(o=-0.5,f=-2!) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.000841 USER MOD Single : A 31 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.027) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.931 K(o=-0.93,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0.344 (180deg=-0.189) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.28! C(o=-2.3!,f=-9.9!) USER MOD Single : A 51 CYS SG : rot 69:sc= 0.132 USER MOD Single : A 53 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.61) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.152 USER MOD Single : A 60 GLN : amide:sc= 0.0368 X(o=0.037,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -0.715 K(o=-0.72,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.476 K(o=-0.48,f=-5.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.4 X(o=0.4,f=-0.061) USER MOD Single : A 80 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -6.625 -3.453 7.622 1.00 0.00 N ATOM 271 CA LYS A 15 -5.599 -4.124 8.405 1.00 0.00 C ATOM 272 C LYS A 15 -5.479 -5.582 7.936 1.00 0.00 C ATOM 273 O LYS A 15 -6.408 -6.362 8.139 1.00 0.00 O ATOM 274 CB LYS A 15 -5.947 -4.031 9.896 1.00 0.00 C ATOM 275 CG LYS A 15 -7.415 -4.349 10.237 1.00 0.00 C ATOM 276 CD LYS A 15 -8.159 -3.066 10.631 1.00 0.00 C ATOM 277 CE LYS A 15 -9.677 -3.285 10.618 1.00 0.00 C ATOM 278 NZ LYS A 15 -10.402 -2.048 10.960 1.00 0.00 N ATOM 0 HA LYS A 15 -4.633 -3.641 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.304 -4.716 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.717 -3.025 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.903 -4.812 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.458 -5.068 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.842 -2.748 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.898 -2.263 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.988 -3.630 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.939 -4.070 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.426 -2.230 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.122 -1.733 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.170 -1.307 10.268 1.00 0.00 H new ATOM 292 N TRP A 16 -4.362 -5.953 7.301 1.00 0.00 N ATOM 293 CA TRP A 16 -4.108 -7.344 6.942 1.00 0.00 C ATOM 294 C TRP A 16 -4.091 -8.181 8.227 1.00 0.00 C ATOM 295 O TRP A 16 -3.390 -7.805 9.167 1.00 0.00 O ATOM 296 CB TRP A 16 -2.726 -7.495 6.285 1.00 0.00 C ATOM 297 CG TRP A 16 -2.294 -6.624 5.136 1.00 0.00 C ATOM 298 CD1 TRP A 16 -1.400 -5.615 5.246 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.412 -6.875 3.700 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.991 -5.208 3.992 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.575 -5.956 3.001 1.00 0.00 C ATOM 302 CE3 TRP A 16 -3.101 -7.818 2.913 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.447 -5.956 1.606 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.861 -7.931 1.531 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.102 -6.952 0.868 1.00 0.00 C ATOM 0 H TRP A 16 -3.622 -5.306 7.027 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.884 -7.670 6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.986 -7.365 7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.650 -8.527 5.944 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.057 -5.190 6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.335 -4.445 3.823 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.828 -8.467 3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.855 -5.203 1.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.260 -8.770 0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.023 -6.967 -0.209 1.00 0.00 H new ATOM 316 N GLY A 17 -4.787 -9.313 8.286 1.00 0.00 N ATOM 317 CA GLY A 17 -4.684 -10.214 9.424 1.00 0.00 C ATOM 318 C GLY A 17 -3.430 -11.089 9.325 1.00 0.00 C ATOM 319 O GLY A 17 -2.588 -10.890 8.440 1.00 0.00 O ATOM 0 H GLY A 17 -5.428 -9.626 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.656 -9.636 10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.570 -10.847 9.471 1.00 0.00 H new ATOM 323 N PRO A 18 -3.257 -12.051 10.243 1.00 0.00 N ATOM 324 CA PRO A 18 -2.078 -12.903 10.300 1.00 0.00 C ATOM 325 C PRO A 18 -1.944 -13.769 9.053 1.00 0.00 C ATOM 326 O PRO A 18 -0.890 -13.803 8.411 1.00 0.00 O ATOM 327 CB PRO A 18 -2.198 -13.699 11.603 1.00 0.00 C ATOM 328 CG PRO A 18 -3.692 -13.676 11.918 1.00 0.00 C ATOM 329 CD PRO A 18 -4.152 -12.335 11.350 1.00 0.00 C ATOM 0 HA PRO A 18 -1.155 -12.323 10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.832 -14.719 11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.615 -13.244 12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.214 -14.511 11.451 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.878 -13.744 12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.187 -12.387 11.013 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.101 -11.551 12.106 1.00 0.00 H new ATOM 337 N ALA A 19 -3.032 -14.443 8.711 1.00 0.00 N ATOM 338 CA ALA A 19 -3.084 -15.363 7.588 1.00 0.00 C ATOM 339 C ALA A 19 -2.816 -14.584 6.304 1.00 0.00 C ATOM 340 O ALA A 19 -1.944 -14.945 5.522 1.00 0.00 O ATOM 341 CB ALA A 19 -4.424 -16.100 7.567 1.00 0.00 C ATOM 0 H ALA A 19 -3.916 -14.364 9.214 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.315 -16.129 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.449 -16.786 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.545 -16.662 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.235 -15.378 7.473 1.00 0.00 H new ATOM 347 N SER A 20 -3.504 -13.460 6.115 1.00 0.00 N ATOM 348 CA SER A 20 -3.292 -12.611 4.958 1.00 0.00 C ATOM 349 C SER A 20 -1.812 -12.264 4.746 1.00 0.00 C ATOM 350 O SER A 20 -1.325 -12.343 3.620 1.00 0.00 O ATOM 351 CB SER A 20 -4.149 -11.351 5.071 1.00 0.00 C ATOM 352 OG SER A 20 -4.237 -10.726 3.812 1.00 0.00 O ATOM 0 H SER A 20 -4.218 -13.119 6.758 1.00 0.00 H new ATOM 0 HA SER A 20 -3.602 -13.171 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.145 -11.607 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.713 -10.666 5.799 1.00 0.00 H new ATOM 0 HG SER A 20 -3.931 -11.346 3.117 1.00 0.00 H new ATOM 358 N GLN A 21 -1.082 -11.843 5.788 1.00 0.00 N ATOM 359 CA GLN A 21 0.348 -11.599 5.608 1.00 0.00 C ATOM 360 C GLN A 21 1.057 -12.890 5.218 1.00 0.00 C ATOM 361 O GLN A 21 1.824 -12.887 4.263 1.00 0.00 O ATOM 362 CB GLN A 21 1.014 -10.954 6.832 1.00 0.00 C ATOM 363 CG GLN A 21 0.463 -9.583 7.249 1.00 0.00 C ATOM 364 CD GLN A 21 0.618 -8.462 6.230 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.278 -7.459 6.480 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.048 -8.569 5.095 1.00 0.00 N ATOM 0 H GLN A 21 -1.443 -11.671 6.727 1.00 0.00 H new ATOM 0 HA GLN A 21 0.444 -10.875 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.916 -11.636 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.080 -10.849 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.597 -9.694 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.959 -9.280 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.593 -9.409 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.018 -7.812 4.413 1.00 0.00 H new ATOM 375 N GLN A 22 0.813 -13.989 5.936 1.00 0.00 N ATOM 376 CA GLN A 22 1.380 -15.286 5.577 1.00 0.00 C ATOM 377 C GLN A 22 1.216 -15.550 4.073 1.00 0.00 C ATOM 378 O GLN A 22 2.174 -15.907 3.395 1.00 0.00 O ATOM 379 CB GLN A 22 0.771 -16.379 6.469 1.00 0.00 C ATOM 380 CG GLN A 22 1.429 -17.743 6.249 1.00 0.00 C ATOM 381 CD GLN A 22 1.288 -18.634 7.480 1.00 0.00 C ATOM 382 OE1 GLN A 22 1.706 -18.252 8.571 1.00 0.00 O ATOM 383 NE2 GLN A 22 0.690 -19.812 7.363 1.00 0.00 N ATOM 0 H GLN A 22 0.226 -14.004 6.770 1.00 0.00 H new ATOM 0 HA GLN A 22 2.454 -15.292 5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.877 -16.092 7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.297 -16.457 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.974 -18.234 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.485 -17.606 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.346 -20.121 6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.574 -20.409 8.182 1.00 0.00 H new ATOM 392 N ILE A 23 0.025 -15.300 3.543 1.00 0.00 N ATOM 393 CA ILE A 23 -0.265 -15.425 2.127 1.00 0.00 C ATOM 394 C ILE A 23 0.552 -14.445 1.279 1.00 0.00 C ATOM 395 O ILE A 23 1.109 -14.845 0.262 1.00 0.00 O ATOM 396 CB ILE A 23 -1.787 -15.364 1.912 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.305 -16.782 2.184 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.169 -14.886 0.507 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.818 -16.889 2.209 1.00 0.00 C ATOM 0 H ILE A 23 -0.777 -15.000 4.097 1.00 0.00 H new ATOM 0 HA ILE A 23 0.062 -16.401 1.767 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.238 -14.634 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.916 -17.454 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.910 -17.125 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.255 -14.863 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.769 -13.886 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.755 -15.569 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.107 -17.921 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.215 -16.245 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.221 -16.578 1.245 1.00 0.00 H new ATOM 411 N LEU A 24 0.664 -13.174 1.652 1.00 0.00 N ATOM 412 CA LEU A 24 1.553 -12.274 0.921 1.00 0.00 C ATOM 413 C LEU A 24 2.965 -12.858 0.832 1.00 0.00 C ATOM 414 O LEU A 24 3.571 -12.890 -0.239 1.00 0.00 O ATOM 415 CB LEU A 24 1.599 -10.900 1.587 1.00 0.00 C ATOM 416 CG LEU A 24 0.501 -9.952 1.105 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.424 -8.768 2.065 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.829 -9.419 -0.291 1.00 0.00 C ATOM 0 H LEU A 24 0.165 -12.751 2.435 1.00 0.00 H new ATOM 0 HA LEU A 24 1.157 -12.161 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.512 -11.025 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.571 -10.445 1.396 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.445 -10.492 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.356 -8.082 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.190 -9.127 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.382 -8.249 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.037 -8.746 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.775 -8.879 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.909 -10.252 -0.989 1.00 0.00 H new ATOM 430 N PHE A 25 3.499 -13.337 1.952 1.00 0.00 N ATOM 431 CA PHE A 25 4.794 -13.993 1.939 1.00 0.00 C ATOM 432 C PHE A 25 4.775 -15.223 1.019 1.00 0.00 C ATOM 433 O PHE A 25 5.735 -15.427 0.275 1.00 0.00 O ATOM 434 CB PHE A 25 5.268 -14.306 3.362 1.00 0.00 C ATOM 435 CG PHE A 25 5.665 -13.073 4.166 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.958 -12.538 4.041 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.780 -12.508 5.100 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.359 -11.458 4.849 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.152 -11.383 5.857 1.00 0.00 C ATOM 440 CZ PHE A 25 6.445 -10.850 5.724 1.00 0.00 C ATOM 0 H PHE A 25 3.057 -13.282 2.870 1.00 0.00 H new ATOM 0 HA PHE A 25 5.531 -13.308 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.474 -14.833 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.120 -14.984 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.647 -12.957 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.801 -12.944 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.375 -11.095 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.446 -10.930 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.734 -9.978 6.291 1.00 0.00 H new ATOM 450 N GLN A 26 3.702 -16.023 1.021 1.00 0.00 N ATOM 451 CA GLN A 26 3.654 -17.232 0.201 1.00 0.00 C ATOM 452 C GLN A 26 3.692 -16.816 -1.280 1.00 0.00 C ATOM 453 O GLN A 26 4.402 -17.410 -2.088 1.00 0.00 O ATOM 454 CB GLN A 26 2.477 -18.164 0.581 1.00 0.00 C ATOM 455 CG GLN A 26 1.180 -18.078 -0.225 1.00 0.00 C ATOM 456 CD GLN A 26 0.080 -18.912 0.432 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.034 -19.049 1.651 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.832 -19.484 -0.343 1.00 0.00 N ATOM 0 H GLN A 26 2.864 -15.854 1.577 1.00 0.00 H new ATOM 0 HA GLN A 26 4.530 -17.850 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.836 -19.191 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.230 -17.975 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.860 -17.039 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.353 -18.431 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.788 -19.366 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.578 -20.042 0.073 1.00 0.00 H new ATOM 467 N ALA A 27 2.985 -15.741 -1.644 1.00 0.00 N ATOM 468 CA ALA A 27 3.082 -15.154 -2.973 1.00 0.00 C ATOM 469 C ALA A 27 4.531 -14.780 -3.277 1.00 0.00 C ATOM 470 O ALA A 27 5.059 -15.128 -4.330 1.00 0.00 O ATOM 471 CB ALA A 27 2.146 -13.958 -3.112 1.00 0.00 C ATOM 0 H ALA A 27 2.334 -15.259 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 27 2.765 -15.893 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.238 -13.538 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.118 -14.280 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.412 -13.200 -2.375 1.00 0.00 H new ATOM 477 N TYR A 28 5.198 -14.110 -2.338 1.00 0.00 N ATOM 478 CA TYR A 28 6.604 -13.765 -2.494 1.00 0.00 C ATOM 479 C TYR A 28 7.495 -14.997 -2.663 1.00 0.00 C ATOM 480 O TYR A 28 8.582 -14.896 -3.231 1.00 0.00 O ATOM 481 CB TYR A 28 7.089 -12.879 -1.334 1.00 0.00 C ATOM 482 CG TYR A 28 7.700 -11.575 -1.799 1.00 0.00 C ATOM 483 CD1 TYR A 28 6.925 -10.717 -2.590 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.029 -11.229 -1.496 1.00 0.00 C ATOM 485 CE1 TYR A 28 7.447 -9.492 -3.029 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.577 -10.040 -2.010 1.00 0.00 C ATOM 487 CZ TYR A 28 8.787 -9.179 -2.792 1.00 0.00 C ATOM 488 OH TYR A 28 9.290 -8.033 -3.328 1.00 0.00 O ATOM 0 H TYR A 28 4.783 -13.796 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 28 6.687 -13.192 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.249 -12.665 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.825 -13.429 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.919 -11.001 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.627 -11.875 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.813 -8.791 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.607 -9.788 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 28 10.234 -7.943 -3.080 1.00 0.00 H new ATOM 498 N GLU A 29 7.076 -16.155 -2.150 1.00 0.00 N ATOM 499 CA GLU A 29 7.790 -17.388 -2.410 1.00 0.00 C ATOM 500 C GLU A 29 7.584 -17.776 -3.874 1.00 0.00 C ATOM 501 O GLU A 29 8.559 -18.027 -4.583 1.00 0.00 O ATOM 502 CB GLU A 29 7.408 -18.478 -1.391 1.00 0.00 C ATOM 503 CG GLU A 29 6.742 -19.723 -1.988 1.00 0.00 C ATOM 504 CD GLU A 29 6.623 -20.800 -0.950 1.00 0.00 C ATOM 505 OE1 GLU A 29 5.812 -20.639 -0.019 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.372 -21.788 -1.084 1.00 0.00 O ATOM 0 H GLU A 29 6.252 -16.256 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 29 8.862 -17.253 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.308 -18.787 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.734 -18.043 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.754 -19.467 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.327 -20.086 -2.833 1.00 0.00 H new ATOM 513 N ARG A 30 6.331 -17.825 -4.340 1.00 0.00 N ATOM 514 CA ARG A 30 6.062 -18.438 -5.633 1.00 0.00 C ATOM 515 C ARG A 30 6.533 -17.526 -6.768 1.00 0.00 C ATOM 516 O ARG A 30 7.060 -18.021 -7.765 1.00 0.00 O ATOM 517 CB ARG A 30 4.590 -18.865 -5.815 1.00 0.00 C ATOM 518 CG ARG A 30 3.565 -17.759 -5.536 1.00 0.00 C ATOM 519 CD ARG A 30 2.251 -17.906 -6.319 1.00 0.00 C ATOM 520 NE ARG A 30 1.421 -19.020 -5.833 1.00 0.00 N ATOM 521 CZ ARG A 30 0.220 -19.348 -6.334 1.00 0.00 C ATOM 522 NH1 ARG A 30 -0.275 -18.676 -7.381 1.00 0.00 N ATOM 523 NH2 ARG A 30 -0.467 -20.341 -5.770 1.00 0.00 N ATOM 0 H ARG A 30 5.513 -17.458 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 30 6.638 -19.363 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.452 -19.221 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.385 -19.707 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.340 -17.748 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.013 -16.795 -5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.684 -16.978 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.477 -18.060 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 30 1.784 -19.581 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.261 -17.915 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.188 -18.925 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.079 -20.839 -4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.381 -20.602 -6.139 1.00 0.00 H new ATOM 537 N GLN A 31 6.345 -16.214 -6.635 1.00 0.00 N ATOM 538 CA GLN A 31 6.662 -15.240 -7.662 1.00 0.00 C ATOM 539 C GLN A 31 7.137 -13.955 -6.979 1.00 0.00 C ATOM 540 O GLN A 31 6.407 -12.982 -6.810 1.00 0.00 O ATOM 541 CB GLN A 31 5.463 -15.077 -8.618 1.00 0.00 C ATOM 542 CG GLN A 31 5.929 -15.219 -10.072 1.00 0.00 C ATOM 543 CD GLN A 31 4.796 -15.330 -11.083 1.00 0.00 C ATOM 544 OE1 GLN A 31 4.977 -15.934 -12.136 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.626 -14.768 -10.822 1.00 0.00 N ATOM 0 H GLN A 31 5.959 -15.796 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 31 7.482 -15.567 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.705 -15.828 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.999 -14.102 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.547 -14.359 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.562 -16.103 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.485 -14.268 -9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.866 -14.835 -11.499 1.00 0.00 H new ATOM 554 N LYS A 32 8.407 -13.966 -6.575 1.00 0.00 N ATOM 555 CA LYS A 32 9.033 -12.918 -5.788 1.00 0.00 C ATOM 556 C LYS A 32 9.014 -11.579 -6.525 1.00 0.00 C ATOM 557 O LYS A 32 9.068 -10.516 -5.908 1.00 0.00 O ATOM 558 CB LYS A 32 10.456 -13.391 -5.461 1.00 0.00 C ATOM 559 CG LYS A 32 11.137 -12.580 -4.353 1.00 0.00 C ATOM 560 CD LYS A 32 12.008 -13.493 -3.481 1.00 0.00 C ATOM 561 CE LYS A 32 13.155 -14.161 -4.260 1.00 0.00 C ATOM 562 NZ LYS A 32 13.924 -15.112 -3.432 1.00 0.00 N ATOM 0 H LYS A 32 9.044 -14.731 -6.796 1.00 0.00 H new ATOM 0 HA LYS A 32 8.482 -12.743 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.421 -14.439 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.064 -13.337 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.750 -11.794 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.383 -12.089 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.426 -12.910 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.381 -14.266 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.746 -14.685 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.826 -13.392 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.684 -15.534 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.339 -14.610 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.292 -15.863 -3.088 1.00 0.00 H new ATOM 576 N ASN A 33 8.971 -11.609 -7.855 1.00 0.00 N ATOM 577 CA ASN A 33 8.519 -10.483 -8.662 1.00 0.00 C ATOM 578 C ASN A 33 7.283 -11.001 -9.383 1.00 0.00 C ATOM 579 O ASN A 33 7.339 -12.122 -9.891 1.00 0.00 O ATOM 580 CB ASN A 33 9.589 -10.043 -9.660 1.00 0.00 C ATOM 581 CG ASN A 33 10.568 -9.040 -9.064 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.977 -8.096 -9.738 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.937 -9.195 -7.798 1.00 0.00 N ATOM 0 H ASN A 33 9.251 -12.421 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 33 8.308 -9.605 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.138 -10.918 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.107 -9.601 -10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.572 -8.524 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.586 -9.985 -7.257 1.00 0.00 H new ATOM 590 N PRO A 34 6.170 -10.261 -9.392 1.00 0.00 N ATOM 591 CA PRO A 34 4.880 -10.846 -9.689 1.00 0.00 C ATOM 592 C PRO A 34 4.632 -10.895 -11.194 1.00 0.00 C ATOM 593 O PRO A 34 5.248 -10.129 -11.944 1.00 0.00 O ATOM 594 CB PRO A 34 3.866 -9.945 -8.979 1.00 0.00 C ATOM 595 CG PRO A 34 4.543 -8.575 -8.993 1.00 0.00 C ATOM 596 CD PRO A 34 6.027 -8.908 -8.890 1.00 0.00 C ATOM 0 HA PRO A 34 4.808 -11.879 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.909 -9.926 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.668 -10.285 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.318 -8.026 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.212 -7.956 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.625 -8.210 -9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.372 -8.836 -7.859 1.00 0.00 H new ATOM 604 N SER A 35 3.712 -11.752 -11.647 1.00 0.00 N ATOM 605 CA SER A 35 3.203 -11.701 -13.012 1.00 0.00 C ATOM 606 C SER A 35 1.872 -10.940 -12.981 1.00 0.00 C ATOM 607 O SER A 35 1.875 -9.727 -12.754 1.00 0.00 O ATOM 608 CB SER A 35 3.108 -13.127 -13.581 1.00 0.00 C ATOM 609 OG SER A 35 2.616 -13.098 -14.906 1.00 0.00 O ATOM 0 H SER A 35 3.304 -12.494 -11.079 1.00 0.00 H new ATOM 0 HA SER A 35 3.871 -11.165 -13.687 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.090 -13.599 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.451 -13.732 -12.956 1.00 0.00 H new ATOM 0 HG SER A 35 2.563 -14.012 -15.255 1.00 0.00 H new ATOM 615 N LYS A 36 0.742 -11.632 -13.128 1.00 0.00 N ATOM 616 CA LYS A 36 -0.589 -11.056 -13.032 1.00 0.00 C ATOM 617 C LYS A 36 -1.507 -12.051 -12.332 1.00 0.00 C ATOM 618 O LYS A 36 -2.051 -11.736 -11.282 1.00 0.00 O ATOM 619 CB LYS A 36 -1.121 -10.692 -14.426 1.00 0.00 C ATOM 620 CG LYS A 36 -2.521 -10.071 -14.292 1.00 0.00 C ATOM 621 CD LYS A 36 -3.207 -9.858 -15.647 1.00 0.00 C ATOM 622 CE LYS A 36 -4.716 -9.633 -15.437 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.982 -8.642 -14.375 1.00 0.00 N ATOM 0 H LYS A 36 0.732 -12.633 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.552 -10.136 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.445 -9.990 -14.913 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.164 -11.581 -15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.143 -10.717 -13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.442 -9.114 -13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.769 -8.999 -16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.045 -10.725 -16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.166 -9.295 -16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.192 -10.579 -15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.005 -8.593 -14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.489 -8.926 -13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.639 -7.708 -14.678 1.00 0.00 H new ATOM 637 N GLU A 37 -1.678 -13.233 -12.921 1.00 0.00 N ATOM 638 CA GLU A 37 -2.540 -14.310 -12.480 1.00 0.00 C ATOM 639 C GLU A 37 -2.398 -14.505 -10.971 1.00 0.00 C ATOM 640 O GLU A 37 -3.341 -14.339 -10.202 1.00 0.00 O ATOM 641 CB GLU A 37 -2.016 -15.537 -13.233 1.00 0.00 C ATOM 642 CG GLU A 37 -2.984 -16.112 -14.256 1.00 0.00 C ATOM 643 CD GLU A 37 -2.219 -17.177 -15.013 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.448 -16.757 -15.901 1.00 0.00 O ATOM 645 OE2 GLU A 37 -2.308 -18.346 -14.587 1.00 0.00 O ATOM 0 H GLU A 37 -1.180 -13.473 -13.778 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.595 -14.121 -12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.089 -15.268 -13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.769 -16.313 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.860 -16.537 -13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.342 -15.336 -14.932 1.00 0.00 H new ATOM 652 N GLU A 38 -1.163 -14.820 -10.582 1.00 0.00 N ATOM 653 CA GLU A 38 -0.652 -14.875 -9.226 1.00 0.00 C ATOM 654 C GLU A 38 -1.218 -13.741 -8.365 1.00 0.00 C ATOM 655 O GLU A 38 -1.688 -13.995 -7.260 1.00 0.00 O ATOM 656 CB GLU A 38 0.877 -14.827 -9.347 1.00 0.00 C ATOM 657 CG GLU A 38 1.635 -14.382 -8.086 1.00 0.00 C ATOM 658 CD GLU A 38 2.072 -12.938 -8.246 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.693 -12.696 -9.305 1.00 0.00 O ATOM 660 OE2 GLU A 38 1.744 -12.109 -7.381 1.00 0.00 O ATOM 0 H GLU A 38 -0.444 -15.061 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.962 -15.787 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.231 -15.818 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.137 -14.151 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.997 -14.485 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.503 -15.021 -7.925 1.00 0.00 H new ATOM 667 N ARG A 39 -1.169 -12.505 -8.851 1.00 0.00 N ATOM 668 CA ARG A 39 -1.554 -11.348 -8.068 1.00 0.00 C ATOM 669 C ARG A 39 -3.077 -11.251 -7.949 1.00 0.00 C ATOM 670 O ARG A 39 -3.589 -11.042 -6.850 1.00 0.00 O ATOM 671 CB ARG A 39 -0.903 -10.076 -8.636 1.00 0.00 C ATOM 672 CG ARG A 39 -1.283 -8.834 -7.815 1.00 0.00 C ATOM 673 CD ARG A 39 -0.111 -7.856 -7.682 1.00 0.00 C ATOM 674 NE ARG A 39 0.298 -7.266 -8.970 1.00 0.00 N ATOM 675 CZ ARG A 39 1.428 -6.556 -9.135 1.00 0.00 C ATOM 676 NH1 ARG A 39 2.256 -6.397 -8.100 1.00 0.00 N ATOM 677 NH2 ARG A 39 1.724 -6.003 -10.310 1.00 0.00 N ATOM 0 H ARG A 39 -0.861 -12.283 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.180 -11.461 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.181 -10.192 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.214 -9.938 -9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.125 -8.329 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.613 -9.142 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.388 -7.057 -6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.740 -8.375 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.308 -7.404 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.028 -6.812 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.116 -5.861 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.090 -6.115 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.585 -5.467 -10.419 1.00 0.00 H new ATOM 691 N GLU A 40 -3.804 -11.411 -9.056 1.00 0.00 N ATOM 692 CA GLU A 40 -5.261 -11.482 -9.052 1.00 0.00 C ATOM 693 C GLU A 40 -5.704 -12.509 -8.001 1.00 0.00 C ATOM 694 O GLU A 40 -6.470 -12.204 -7.083 1.00 0.00 O ATOM 695 CB GLU A 40 -5.775 -11.851 -10.457 1.00 0.00 C ATOM 696 CG GLU A 40 -6.731 -10.808 -11.064 1.00 0.00 C ATOM 697 CD GLU A 40 -6.063 -9.709 -11.867 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.817 -9.599 -11.881 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.788 -8.979 -12.576 1.00 0.00 O ATOM 0 H GLU A 40 -3.393 -11.495 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.686 -10.512 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.922 -11.979 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.287 -12.812 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.444 -11.324 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.303 -10.350 -10.257 1.00 0.00 H new ATOM 706 N THR A 41 -5.170 -13.722 -8.139 1.00 0.00 N ATOM 707 CA THR A 41 -5.282 -14.808 -7.189 1.00 0.00 C ATOM 708 C THR A 41 -4.988 -14.313 -5.780 1.00 0.00 C ATOM 709 O THR A 41 -5.784 -14.532 -4.882 1.00 0.00 O ATOM 710 CB THR A 41 -4.309 -15.927 -7.583 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.861 -16.747 -8.590 1.00 0.00 O ATOM 712 CG2 THR A 41 -3.809 -16.783 -6.415 1.00 0.00 C ATOM 0 H THR A 41 -4.622 -13.978 -8.960 1.00 0.00 H new ATOM 0 HA THR A 41 -6.300 -15.198 -7.203 1.00 0.00 H new ATOM 0 HB THR A 41 -3.430 -15.410 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.222 -17.451 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.127 -17.547 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.286 -16.150 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.657 -17.262 -5.926 1.00 0.00 H new ATOM 720 N LEU A 42 -3.831 -13.698 -5.557 1.00 0.00 N ATOM 721 CA LEU A 42 -3.362 -13.350 -4.233 1.00 0.00 C ATOM 722 C LEU A 42 -4.391 -12.453 -3.560 1.00 0.00 C ATOM 723 O LEU A 42 -4.759 -12.711 -2.419 1.00 0.00 O ATOM 724 CB LEU A 42 -1.976 -12.712 -4.358 1.00 0.00 C ATOM 725 CG LEU A 42 -1.567 -11.825 -3.186 1.00 0.00 C ATOM 726 CD1 LEU A 42 -1.478 -12.581 -1.862 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.213 -11.198 -3.499 1.00 0.00 C ATOM 0 H LEU A 42 -3.190 -13.427 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.253 -14.228 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.236 -13.505 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.947 -12.118 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.340 -11.067 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.183 -11.893 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.450 -13.013 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.738 -13.377 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.093 -10.560 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.527 -11.985 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.290 -10.600 -4.407 1.00 0.00 H new ATOM 739 N VAL A 43 -4.872 -11.417 -4.251 1.00 0.00 N ATOM 740 CA VAL A 43 -5.929 -10.582 -3.699 1.00 0.00 C ATOM 741 C VAL A 43 -7.102 -11.463 -3.265 1.00 0.00 C ATOM 742 O VAL A 43 -7.594 -11.331 -2.148 1.00 0.00 O ATOM 743 CB VAL A 43 -6.377 -9.522 -4.714 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.520 -8.690 -4.120 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.236 -8.569 -5.072 1.00 0.00 C ATOM 0 H VAL A 43 -4.549 -11.143 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.546 -10.053 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.700 -10.046 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.836 -7.938 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.361 -9.343 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.177 -8.197 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.590 -7.832 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.891 -8.060 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.412 -9.135 -5.507 1.00 0.00 H new ATOM 755 N GLU A 44 -7.536 -12.357 -4.153 1.00 0.00 N ATOM 756 CA GLU A 44 -8.637 -13.269 -3.906 1.00 0.00 C ATOM 757 C GLU A 44 -8.405 -14.062 -2.617 1.00 0.00 C ATOM 758 O GLU A 44 -9.198 -14.026 -1.685 1.00 0.00 O ATOM 759 CB GLU A 44 -8.789 -14.205 -5.120 1.00 0.00 C ATOM 760 CG GLU A 44 -10.195 -14.215 -5.723 1.00 0.00 C ATOM 761 CD GLU A 44 -11.270 -14.397 -4.667 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.293 -15.506 -4.097 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.982 -13.405 -4.392 1.00 0.00 O ATOM 0 H GLU A 44 -7.121 -12.464 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.560 -12.704 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.077 -13.905 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.526 -15.219 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.366 -13.280 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.268 -15.018 -6.456 1.00 0.00 H new ATOM 770 N GLU A 45 -7.298 -14.789 -2.581 1.00 0.00 N ATOM 771 CA GLU A 45 -6.948 -15.732 -1.546 1.00 0.00 C ATOM 772 C GLU A 45 -6.799 -14.990 -0.215 1.00 0.00 C ATOM 773 O GLU A 45 -7.280 -15.443 0.822 1.00 0.00 O ATOM 774 CB GLU A 45 -5.669 -16.461 -2.004 1.00 0.00 C ATOM 775 CG GLU A 45 -5.516 -17.879 -1.442 1.00 0.00 C ATOM 776 CD GLU A 45 -6.712 -18.752 -1.762 1.00 0.00 C ATOM 777 OE1 GLU A 45 -7.251 -18.638 -2.883 1.00 0.00 O ATOM 778 OE2 GLU A 45 -7.159 -19.492 -0.861 1.00 0.00 O ATOM 0 H GLU A 45 -6.589 -14.729 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.721 -16.483 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.664 -16.512 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.802 -15.870 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.615 -18.335 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.384 -17.828 -0.361 1.00 0.00 H new ATOM 785 N CYS A 46 -6.166 -13.817 -0.252 1.00 0.00 N ATOM 786 CA CYS A 46 -6.042 -12.944 0.910 1.00 0.00 C ATOM 787 C CYS A 46 -7.439 -12.594 1.404 1.00 0.00 C ATOM 788 O CYS A 46 -7.748 -12.805 2.576 1.00 0.00 O ATOM 789 CB CYS A 46 -5.275 -11.654 0.583 1.00 0.00 C ATOM 790 SG CYS A 46 -3.528 -11.804 0.994 1.00 0.00 S ATOM 0 H CYS A 46 -5.724 -13.447 -1.093 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.478 -13.473 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.382 -11.424 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.710 -10.821 1.135 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.880 -10.786 0.512 1.00 0.00 H new ATOM 796 N ASN A 47 -8.280 -12.065 0.510 1.00 0.00 N ATOM 797 CA ASN A 47 -9.659 -11.694 0.813 1.00 0.00 C ATOM 798 C ASN A 47 -10.351 -12.866 1.489 1.00 0.00 C ATOM 799 O ASN A 47 -10.899 -12.712 2.574 1.00 0.00 O ATOM 800 CB ASN A 47 -10.440 -11.259 -0.452 1.00 0.00 C ATOM 801 CG ASN A 47 -10.530 -9.747 -0.636 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.536 -8.982 0.326 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.563 -9.275 -1.877 1.00 0.00 N ATOM 0 H ASN A 47 -8.015 -11.881 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.642 -10.834 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.961 -11.694 -1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.449 -11.669 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.594 -8.268 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.558 -9.919 -2.668 1.00 0.00 H new ATOM 810 N ARG A 48 -10.318 -14.046 0.873 1.00 0.00 N ATOM 811 CA ARG A 48 -11.025 -15.212 1.354 1.00 0.00 C ATOM 812 C ARG A 48 -10.511 -15.609 2.735 1.00 0.00 C ATOM 813 O ARG A 48 -11.301 -15.758 3.657 1.00 0.00 O ATOM 814 CB ARG A 48 -10.933 -16.340 0.321 1.00 0.00 C ATOM 815 CG ARG A 48 -12.340 -16.775 -0.119 1.00 0.00 C ATOM 816 CD ARG A 48 -12.292 -17.900 -1.157 1.00 0.00 C ATOM 817 NE ARG A 48 -11.462 -17.515 -2.313 1.00 0.00 N ATOM 818 CZ ARG A 48 -10.267 -18.023 -2.644 1.00 0.00 C ATOM 819 NH1 ARG A 48 -9.753 -19.062 -1.995 1.00 0.00 N ATOM 820 NH2 ARG A 48 -9.566 -17.470 -3.623 1.00 0.00 N ATOM 0 H ARG A 48 -9.791 -14.212 0.016 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.084 -14.985 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.361 -16.004 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.398 -17.189 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.906 -17.108 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.871 -15.919 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.890 -18.804 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.302 -18.134 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.835 -16.788 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.270 -19.490 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.841 -19.432 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.936 -16.661 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.656 -17.853 -3.878 1.00 0.00 H new ATOM 834 N ALA A 49 -9.198 -15.726 2.925 1.00 0.00 N ATOM 835 CA ALA A 49 -8.622 -16.019 4.235 1.00 0.00 C ATOM 836 C ALA A 49 -9.123 -15.019 5.286 1.00 0.00 C ATOM 837 O ALA A 49 -9.518 -15.385 6.398 1.00 0.00 O ATOM 838 CB ALA A 49 -7.093 -15.993 4.136 1.00 0.00 C ATOM 0 H ALA A 49 -8.508 -15.621 2.181 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.939 -17.013 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.661 -16.211 5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.762 -16.743 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.766 -15.006 3.807 1.00 0.00 H new ATOM 844 N GLU A 50 -9.091 -13.737 4.928 1.00 0.00 N ATOM 845 CA GLU A 50 -9.508 -12.633 5.775 1.00 0.00 C ATOM 846 C GLU A 50 -11.043 -12.656 5.965 1.00 0.00 C ATOM 847 O GLU A 50 -11.567 -12.154 6.962 1.00 0.00 O ATOM 848 CB GLU A 50 -8.910 -11.352 5.155 1.00 0.00 C ATOM 849 CG GLU A 50 -8.756 -10.147 6.086 1.00 0.00 C ATOM 850 CD GLU A 50 -7.859 -10.406 7.282 1.00 0.00 C ATOM 851 OE1 GLU A 50 -6.716 -10.861 7.087 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.323 -10.172 8.421 1.00 0.00 O ATOM 0 H GLU A 50 -8.763 -13.434 4.011 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.132 -12.698 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.928 -11.596 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.538 -11.055 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.353 -9.309 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.742 -9.846 6.441 1.00 0.00 H new ATOM 859 N CYS A 51 -11.783 -13.287 5.051 1.00 0.00 N ATOM 860 CA CYS A 51 -13.211 -13.577 5.183 1.00 0.00 C ATOM 861 C CYS A 51 -13.435 -14.717 6.172 1.00 0.00 C ATOM 862 O CYS A 51 -14.305 -14.616 7.038 1.00 0.00 O ATOM 863 CB CYS A 51 -13.874 -13.841 3.818 1.00 0.00 C ATOM 864 SG CYS A 51 -14.607 -15.497 3.648 1.00 0.00 S ATOM 0 H CYS A 51 -11.391 -13.621 4.170 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.701 -12.691 5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.651 -13.094 3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.130 -13.704 3.033 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.642 -15.596 4.428 1.00 0.00 H new ATOM 870 N ILE A 52 -12.634 -15.773 6.073 1.00 0.00 N ATOM 871 CA ILE A 52 -12.767 -17.000 6.838 1.00 0.00 C ATOM 872 C ILE A 52 -12.553 -16.628 8.297 1.00 0.00 C ATOM 873 O ILE A 52 -13.332 -17.017 9.161 1.00 0.00 O ATOM 874 CB ILE A 52 -11.766 -18.036 6.282 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.315 -18.591 4.955 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.484 -19.191 7.251 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.276 -19.377 4.148 1.00 0.00 C ATOM 0 H ILE A 52 -11.843 -15.794 5.430 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.749 -17.467 6.757 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.816 -17.524 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.167 -19.238 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.685 -17.764 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.773 -19.881 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.065 -18.796 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.413 -19.718 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.730 -19.739 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.435 -18.727 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.924 -20.224 4.736 1.00 0.00 H new ATOM 889 N GLN A 53 -11.574 -15.757 8.546 1.00 0.00 N ATOM 890 CA GLN A 53 -11.338 -15.190 9.865 1.00 0.00 C ATOM 891 C GLN A 53 -12.619 -14.752 10.586 1.00 0.00 C ATOM 892 O GLN A 53 -12.717 -14.942 11.796 1.00 0.00 O ATOM 893 CB GLN A 53 -10.358 -14.019 9.773 1.00 0.00 C ATOM 894 CG GLN A 53 -8.900 -14.465 9.912 1.00 0.00 C ATOM 895 CD GLN A 53 -8.017 -13.233 10.014 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.081 -12.504 11.001 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.235 -12.950 8.987 1.00 0.00 N ATOM 0 H GLN A 53 -10.923 -15.427 7.833 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.906 -15.990 10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.490 -13.512 8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.589 -13.293 10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.779 -15.090 10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.607 -15.069 9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.204 -13.576 8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.662 -12.106 8.999 1.00 0.00 H new ATOM 906 N ARG A 54 -13.573 -14.135 9.884 1.00 0.00 N ATOM 907 CA ARG A 54 -14.815 -13.655 10.490 1.00 0.00 C ATOM 908 C ARG A 54 -16.025 -14.475 10.028 1.00 0.00 C ATOM 909 O ARG A 54 -17.167 -14.050 10.204 1.00 0.00 O ATOM 910 CB ARG A 54 -14.988 -12.155 10.187 1.00 0.00 C ATOM 911 CG ARG A 54 -14.418 -11.250 11.294 1.00 0.00 C ATOM 912 CD ARG A 54 -12.893 -11.134 11.272 1.00 0.00 C ATOM 913 NE ARG A 54 -12.434 -10.451 10.055 1.00 0.00 N ATOM 914 CZ ARG A 54 -11.165 -10.215 9.704 1.00 0.00 C ATOM 915 NH1 ARG A 54 -10.138 -10.580 10.466 1.00 0.00 N ATOM 916 NH2 ARG A 54 -10.909 -9.598 8.562 1.00 0.00 N ATOM 0 H ARG A 54 -13.505 -13.955 8.882 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.753 -13.786 11.570 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.495 -11.921 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.048 -11.936 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.850 -10.254 11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.730 -11.638 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.554 -10.586 12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.448 -12.128 11.325 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.156 -10.124 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.305 -11.057 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.184 -10.383 10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.676 -9.306 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.944 -9.414 8.287 1.00 0.00 H new ATOM 930 N GLY A 55 -15.809 -15.642 9.427 1.00 0.00 N ATOM 931 CA GLY A 55 -16.890 -16.477 8.939 1.00 0.00 C ATOM 932 C GLY A 55 -17.774 -15.739 7.932 1.00 0.00 C ATOM 933 O GLY A 55 -18.998 -15.911 7.894 1.00 0.00 O ATOM 0 H GLY A 55 -14.879 -16.030 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.476 -17.370 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.498 -16.810 9.780 1.00 0.00 H new ATOM 937 N VAL A 56 -17.166 -14.910 7.087 1.00 0.00 N ATOM 938 CA VAL A 56 -17.862 -14.293 5.971 1.00 0.00 C ATOM 939 C VAL A 56 -18.080 -15.373 4.907 1.00 0.00 C ATOM 940 O VAL A 56 -17.409 -16.408 4.905 1.00 0.00 O ATOM 941 CB VAL A 56 -17.058 -13.072 5.478 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.413 -12.575 4.074 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.266 -11.889 6.421 1.00 0.00 C ATOM 0 H VAL A 56 -16.182 -14.651 7.159 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.842 -13.907 6.252 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.028 -13.429 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.791 -11.715 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.238 -13.372 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.463 -12.284 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.694 -11.033 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.324 -11.630 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.929 -12.158 7.422 1.00 0.00 H new ATOM 953 N SER A 57 -19.044 -15.150 4.025 1.00 0.00 N ATOM 954 CA SER A 57 -19.308 -16.002 2.878 1.00 0.00 C ATOM 955 C SER A 57 -18.122 -15.911 1.911 1.00 0.00 C ATOM 956 O SER A 57 -17.700 -14.795 1.624 1.00 0.00 O ATOM 957 CB SER A 57 -20.586 -15.501 2.198 1.00 0.00 C ATOM 958 OG SER A 57 -21.631 -16.451 2.300 1.00 0.00 O ATOM 0 H SER A 57 -19.678 -14.353 4.090 1.00 0.00 H new ATOM 0 HA SER A 57 -19.437 -17.041 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.899 -14.562 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.383 -15.292 1.148 1.00 0.00 H new ATOM 0 HG SER A 57 -22.434 -16.103 1.859 1.00 0.00 H new ATOM 964 N PRO A 58 -17.608 -17.024 1.364 1.00 0.00 N ATOM 965 CA PRO A 58 -16.464 -16.994 0.465 1.00 0.00 C ATOM 966 C PRO A 58 -16.718 -16.056 -0.716 1.00 0.00 C ATOM 967 O PRO A 58 -15.953 -15.132 -0.970 1.00 0.00 O ATOM 968 CB PRO A 58 -16.217 -18.448 0.047 1.00 0.00 C ATOM 969 CG PRO A 58 -17.549 -19.153 0.317 1.00 0.00 C ATOM 970 CD PRO A 58 -18.132 -18.372 1.496 1.00 0.00 C ATOM 0 HA PRO A 58 -15.572 -16.593 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -15.937 -18.517 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.407 -18.895 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.206 -19.118 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.404 -20.205 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.222 -18.374 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.837 -18.817 2.446 1.00 0.00 H new ATOM 978 N SER A 59 -17.852 -16.238 -1.382 1.00 0.00 N ATOM 979 CA SER A 59 -18.296 -15.418 -2.502 1.00 0.00 C ATOM 980 C SER A 59 -18.707 -13.997 -2.080 1.00 0.00 C ATOM 981 O SER A 59 -19.239 -13.234 -2.887 1.00 0.00 O ATOM 982 CB SER A 59 -19.446 -16.172 -3.181 1.00 0.00 C ATOM 983 OG SER A 59 -20.206 -16.874 -2.203 1.00 0.00 O ATOM 0 H SER A 59 -18.508 -16.984 -1.150 1.00 0.00 H new ATOM 0 HA SER A 59 -17.470 -15.267 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.086 -15.471 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.050 -16.871 -3.918 1.00 0.00 H new ATOM 0 HG SER A 59 -20.940 -17.353 -2.641 1.00 0.00 H new ATOM 989 N GLN A 60 -18.498 -13.627 -0.816 1.00 0.00 N ATOM 990 CA GLN A 60 -18.652 -12.276 -0.323 1.00 0.00 C ATOM 991 C GLN A 60 -17.422 -11.890 0.488 1.00 0.00 C ATOM 992 O GLN A 60 -17.510 -11.043 1.376 1.00 0.00 O ATOM 993 CB GLN A 60 -19.952 -12.161 0.486 1.00 0.00 C ATOM 994 CG GLN A 60 -21.191 -12.188 -0.417 1.00 0.00 C ATOM 995 CD GLN A 60 -21.317 -10.858 -1.148 1.00 0.00 C ATOM 996 OE1 GLN A 60 -21.903 -9.918 -0.614 1.00 0.00 O ATOM 997 NE2 GLN A 60 -20.725 -10.738 -2.326 1.00 0.00 N ATOM 0 H GLN A 60 -18.209 -14.286 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.730 -11.575 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.007 -12.980 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.941 -11.235 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.112 -13.004 -1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -22.084 -12.373 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -20.247 -11.538 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.746 -9.845 -2.819 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.251 -12.412 0.121 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.001 -11.868 0.620 1.00 0.00 C ATOM 1008 C ALA A 61 -14.797 -10.426 0.122 1.00 0.00 C ATOM 1009 O ALA A 61 -14.001 -9.673 0.674 1.00 0.00 O ATOM 1010 CB ALA A 61 -13.844 -12.804 0.290 1.00 0.00 C ATOM 0 H ALA A 61 -16.148 -13.203 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.039 -11.804 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.914 -12.382 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.018 -13.775 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.771 -12.926 -0.791 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.584 -9.991 -0.864 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.740 -8.578 -1.173 1.00 0.00 C ATOM 1018 C GLN A 62 -16.312 -7.779 0.015 1.00 0.00 C ATOM 1019 O GLN A 62 -15.885 -6.654 0.285 1.00 0.00 O ATOM 1020 CB GLN A 62 -16.584 -8.407 -2.446 1.00 0.00 C ATOM 1021 CG GLN A 62 -15.740 -8.148 -3.707 1.00 0.00 C ATOM 1022 CD GLN A 62 -14.707 -9.230 -4.018 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -14.981 -10.159 -4.769 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -13.500 -9.100 -3.481 1.00 0.00 N ATOM 0 H GLN A 62 -16.127 -10.610 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.750 -8.162 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.185 -9.303 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -17.277 -7.578 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -16.409 -8.048 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.224 -7.195 -3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.300 -8.317 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.772 -9.784 -3.690 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.285 -8.346 0.728 1.00 0.00 N ATOM 1034 CA GLY A 63 -18.077 -7.663 1.746 1.00 0.00 C ATOM 1035 C GLY A 63 -17.253 -7.073 2.891 1.00 0.00 C ATOM 1036 O GLY A 63 -17.709 -6.174 3.593 1.00 0.00 O ATOM 0 H GLY A 63 -17.551 -9.323 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.645 -6.862 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.801 -8.366 2.159 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.032 -7.573 3.077 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.028 -7.061 4.001 1.00 0.00 C ATOM 1042 C LEU A 64 -14.986 -5.533 4.020 1.00 0.00 C ATOM 1043 O LEU A 64 -14.828 -4.933 5.085 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.666 -7.642 3.640 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.427 -9.019 4.264 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.529 -10.011 3.927 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.068 -9.542 3.794 1.00 0.00 C ATOM 0 H LEU A 64 -15.702 -8.388 2.559 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.301 -7.374 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.585 -7.720 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.885 -6.958 3.970 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.435 -8.910 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.310 -10.971 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.482 -9.636 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.586 -10.138 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.885 -10.523 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.065 -9.623 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.284 -8.853 4.108 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.042 -4.906 2.847 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.131 -3.459 2.707 1.00 0.00 C ATOM 1061 C GLY A 65 -13.947 -2.739 3.351 1.00 0.00 C ATOM 1062 O GLY A 65 -12.907 -2.581 2.714 1.00 0.00 O ATOM 0 H GLY A 65 -15.026 -5.399 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.178 -3.201 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.057 -3.109 3.162 1.00 0.00 H new ATOM 1066 N SER A 66 -14.070 -2.310 4.609 1.00 0.00 N ATOM 1067 CA SER A 66 -12.985 -1.644 5.316 1.00 0.00 C ATOM 1068 C SER A 66 -11.723 -2.506 5.229 1.00 0.00 C ATOM 1069 O SER A 66 -10.650 -2.018 4.873 1.00 0.00 O ATOM 1070 CB SER A 66 -13.373 -1.350 6.773 1.00 0.00 C ATOM 1071 OG SER A 66 -12.411 -0.487 7.357 1.00 0.00 O ATOM 0 H SER A 66 -14.922 -2.416 5.160 1.00 0.00 H new ATOM 0 HA SER A 66 -12.784 -0.682 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.360 -0.889 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.433 -2.280 7.339 1.00 0.00 H new ATOM 0 HG SER A 66 -12.661 -0.299 8.286 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.869 -3.806 5.503 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.757 -4.750 5.486 1.00 0.00 C ATOM 1079 C ASN A 67 -10.657 -5.525 4.174 1.00 0.00 C ATOM 1080 O ASN A 67 -9.885 -6.471 4.094 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.790 -5.660 6.719 1.00 0.00 C ATOM 1082 CG ASN A 67 -11.736 -6.850 6.629 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.307 -7.977 6.443 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -13.034 -6.665 6.822 1.00 0.00 N ATOM 0 H ASN A 67 -12.765 -4.230 5.743 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.837 -4.168 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.782 -6.032 6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.070 -5.060 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.669 -7.463 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.398 -5.725 6.978 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.386 -5.109 3.133 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.240 -5.696 1.807 1.00 0.00 C ATOM 1093 C LEU A 68 -9.792 -5.495 1.372 1.00 0.00 C ATOM 1094 O LEU A 68 -9.306 -4.363 1.428 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.156 -4.953 0.821 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.949 -5.293 -0.660 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.559 -6.643 -0.997 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.614 -4.256 -1.567 1.00 0.00 C ATOM 0 H LEU A 68 -12.083 -4.366 3.189 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.503 -6.754 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.192 -5.167 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.009 -3.881 0.953 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.872 -5.305 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.399 -6.861 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.088 -7.417 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.629 -6.621 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.449 -4.526 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.685 -4.229 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.183 -3.274 -1.374 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.130 -6.544 0.895 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.890 -6.383 0.151 1.00 0.00 C ATOM 1112 C VAL A 69 -8.241 -6.147 -1.317 1.00 0.00 C ATOM 1113 O VAL A 69 -9.177 -6.738 -1.854 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.915 -7.556 0.364 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -7.502 -8.897 -0.056 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.599 -7.330 -0.389 1.00 0.00 C ATOM 0 H VAL A 69 -9.432 -7.511 1.011 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.348 -5.516 0.527 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.725 -7.590 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.769 -9.685 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.399 -9.101 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.758 -8.866 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.932 -8.175 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.802 -7.237 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.126 -6.416 -0.029 1.00 0.00 H new ATOM 1126 N THR A 70 -7.495 -5.256 -1.952 1.00 0.00 N ATOM 1127 CA THR A 70 -7.608 -4.924 -3.353 1.00 0.00 C ATOM 1128 C THR A 70 -6.214 -5.003 -3.961 1.00 0.00 C ATOM 1129 O THR A 70 -5.216 -4.988 -3.230 1.00 0.00 O ATOM 1130 CB THR A 70 -8.202 -3.517 -3.443 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.522 -2.657 -2.542 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.671 -3.577 -3.026 1.00 0.00 C ATOM 0 H THR A 70 -6.764 -4.725 -1.479 1.00 0.00 H new ATOM 0 HA THR A 70 -8.256 -5.607 -3.901 1.00 0.00 H new ATOM 0 HB THR A 70 -8.103 -3.145 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.901 -1.755 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.107 -2.580 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.211 -4.250 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.744 -3.944 -2.002 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.135 -5.063 -5.287 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.891 -5.115 -6.035 1.00 0.00 C ATOM 1142 C GLU A 71 -3.945 -4.062 -5.486 1.00 0.00 C ATOM 1143 O GLU A 71 -2.810 -4.369 -5.144 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.193 -4.857 -7.510 1.00 0.00 C ATOM 1145 CG GLU A 71 -5.872 -6.092 -8.109 1.00 0.00 C ATOM 1146 CD GLU A 71 -6.569 -5.725 -9.390 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -7.578 -4.996 -9.296 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -6.069 -6.108 -10.464 1.00 0.00 O ATOM 0 H GLU A 71 -6.961 -5.077 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.421 -6.094 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.839 -3.986 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.272 -4.637 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.131 -6.869 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.590 -6.503 -7.399 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.414 -2.826 -5.358 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.581 -1.721 -4.923 1.00 0.00 C ATOM 1157 C VAL A 72 -2.892 -1.988 -3.573 1.00 0.00 C ATOM 1158 O VAL A 72 -1.750 -1.565 -3.388 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.388 -0.416 -4.978 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.535 -0.374 -3.964 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.486 0.802 -4.788 1.00 0.00 C ATOM 0 H VAL A 72 -5.381 -2.566 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.747 -1.612 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.832 -0.386 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.066 0.574 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.224 -1.196 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.133 -0.470 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.087 1.710 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.991 0.741 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.735 0.825 -5.578 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.537 -2.681 -2.624 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.891 -3.041 -1.364 1.00 0.00 C ATOM 1173 C ARG A 73 -1.620 -3.835 -1.650 1.00 0.00 C ATOM 1174 O ARG A 73 -0.522 -3.458 -1.236 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.804 -3.922 -0.496 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.040 -3.238 0.093 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.704 -2.061 1.011 1.00 0.00 C ATOM 1178 NE ARG A 73 -3.575 -2.331 1.917 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.828 -1.374 2.490 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.166 -0.091 2.372 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -1.729 -1.659 3.184 1.00 0.00 N ATOM 0 H ARG A 73 -4.502 -3.000 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.669 -2.115 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.135 -4.769 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.211 -4.325 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.673 -2.885 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.620 -3.972 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.470 -1.189 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.584 -1.809 1.603 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.347 -3.304 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.998 0.171 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.593 0.630 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.432 -2.629 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.184 -0.908 3.607 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.800 -4.957 -2.340 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.730 -5.873 -2.679 1.00 0.00 C ATOM 1197 C VAL A 74 0.322 -5.105 -3.473 1.00 0.00 C ATOM 1198 O VAL A 74 1.501 -5.149 -3.151 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.317 -7.012 -3.537 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.207 -7.897 -4.099 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.322 -7.883 -2.773 1.00 0.00 C ATOM 0 H VAL A 74 -2.713 -5.256 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.274 -6.295 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.854 -6.527 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.646 -8.693 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.457 -7.297 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.361 -8.334 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.699 -8.666 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.830 -8.337 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.153 -7.265 -2.431 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.105 -4.415 -4.527 1.00 0.00 N ATOM 1212 CA TYR A 75 0.752 -3.681 -5.436 1.00 0.00 C ATOM 1213 C TYR A 75 1.689 -2.788 -4.632 1.00 0.00 C ATOM 1214 O TYR A 75 2.902 -2.854 -4.801 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.110 -2.873 -6.415 1.00 0.00 C ATOM 1216 CG TYR A 75 0.510 -2.650 -7.777 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.775 -2.048 -7.897 1.00 0.00 C ATOM 1218 CD2 TYR A 75 -0.220 -2.977 -8.936 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.337 -1.848 -9.166 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.290 -2.645 -10.200 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.584 -2.118 -10.318 1.00 0.00 C ATOM 1222 OH TYR A 75 2.143 -1.995 -11.551 1.00 0.00 O ATOM 0 H TYR A 75 -1.092 -4.353 -4.775 1.00 0.00 H new ATOM 0 HA TYR A 75 1.362 -4.368 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.063 -3.386 -6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.329 -1.903 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.313 -1.740 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.171 -3.482 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.350 -1.486 -9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.314 -2.795 -11.082 1.00 0.00 H new ATOM 0 HH TYR A 75 1.479 -2.222 -12.235 1.00 0.00 H new ATOM 1232 N ASN A 76 1.125 -1.974 -3.738 1.00 0.00 N ATOM 1233 CA ASN A 76 1.910 -1.096 -2.883 1.00 0.00 C ATOM 1234 C ASN A 76 2.936 -1.901 -2.096 1.00 0.00 C ATOM 1235 O ASN A 76 4.118 -1.562 -2.087 1.00 0.00 O ATOM 1236 CB ASN A 76 1.013 -0.349 -1.889 1.00 0.00 C ATOM 1237 CG ASN A 76 0.540 0.978 -2.447 1.00 0.00 C ATOM 1238 OD1 ASN A 76 1.240 1.982 -2.346 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.672 1.030 -2.963 1.00 0.00 N ATOM 0 H ASN A 76 0.118 -1.908 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 76 2.414 -0.376 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.150 -0.968 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.560 -0.179 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.049 1.919 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.232 0.181 -3.035 1.00 0.00 H new ATOM 1246 N TRP A 77 2.467 -2.937 -1.401 1.00 0.00 N ATOM 1247 CA TRP A 77 3.301 -3.799 -0.578 1.00 0.00 C ATOM 1248 C TRP A 77 4.485 -4.306 -1.419 1.00 0.00 C ATOM 1249 O TRP A 77 5.635 -4.016 -1.099 1.00 0.00 O ATOM 1250 CB TRP A 77 2.386 -4.867 0.057 1.00 0.00 C ATOM 1251 CG TRP A 77 2.973 -5.896 0.974 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.642 -6.022 2.274 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.754 -7.090 0.663 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.275 -7.122 2.816 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.941 -7.847 1.856 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.246 -7.664 -0.521 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.626 -9.076 1.871 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.843 -8.932 -0.531 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.073 -9.627 0.664 1.00 0.00 C ATOM 0 H TRP A 77 1.482 -3.201 -1.397 1.00 0.00 H new ATOM 0 HA TRP A 77 3.775 -3.286 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.609 -4.342 0.612 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.893 -5.399 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.979 -5.360 2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.252 -7.367 3.806 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.162 -7.114 -1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.805 -9.589 2.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.129 -9.379 -1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.589 -10.576 0.654 1.00 0.00 H new ATOM 1270 N PHE A 78 4.217 -4.974 -2.540 1.00 0.00 N ATOM 1271 CA PHE A 78 5.222 -5.496 -3.464 1.00 0.00 C ATOM 1272 C PHE A 78 6.192 -4.385 -3.892 1.00 0.00 C ATOM 1273 O PHE A 78 7.412 -4.531 -3.808 1.00 0.00 O ATOM 1274 CB PHE A 78 4.525 -6.120 -4.687 1.00 0.00 C ATOM 1275 CG PHE A 78 4.165 -7.597 -4.578 1.00 0.00 C ATOM 1276 CD1 PHE A 78 3.160 -8.050 -3.706 1.00 0.00 C ATOM 1277 CD2 PHE A 78 4.908 -8.536 -5.314 1.00 0.00 C ATOM 1278 CE1 PHE A 78 2.986 -9.429 -3.488 1.00 0.00 C ATOM 1279 CE2 PHE A 78 4.684 -9.913 -5.152 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.758 -10.361 -4.198 1.00 0.00 C ATOM 0 H PHE A 78 3.263 -5.173 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 78 5.803 -6.268 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.612 -5.559 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.173 -5.989 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.521 -7.339 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.659 -8.195 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.255 -9.772 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.223 -10.625 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.640 -11.418 -4.011 1.00 0.00 H new ATOM 1290 N ALA A 79 5.644 -3.260 -4.348 1.00 0.00 N ATOM 1291 CA ALA A 79 6.412 -2.117 -4.821 1.00 0.00 C ATOM 1292 C ALA A 79 7.298 -1.525 -3.722 1.00 0.00 C ATOM 1293 O ALA A 79 8.281 -0.850 -4.027 1.00 0.00 O ATOM 1294 CB ALA A 79 5.468 -1.055 -5.393 1.00 0.00 C ATOM 0 H ALA A 79 4.635 -3.118 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 79 7.078 -2.465 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.050 -0.203 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.905 -1.479 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.777 -0.727 -4.617 1.00 0.00 H new ATOM 1300 N ASN A 80 6.962 -1.740 -2.449 1.00 0.00 N ATOM 1301 CA ASN A 80 7.838 -1.384 -1.338 1.00 0.00 C ATOM 1302 C ASN A 80 8.888 -2.472 -1.158 1.00 0.00 C ATOM 1303 O ASN A 80 10.079 -2.180 -1.087 1.00 0.00 O ATOM 1304 CB ASN A 80 7.044 -1.152 -0.045 1.00 0.00 C ATOM 1305 CG ASN A 80 6.530 0.277 -0.003 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.132 1.152 0.619 1.00 0.00 O ATOM 1307 ND2 ASN A 80 5.460 0.564 -0.731 1.00 0.00 N ATOM 0 H ASN A 80 6.079 -2.164 -2.163 1.00 0.00 H new ATOM 0 HA ASN A 80 8.337 -0.443 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.208 -1.850 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.677 -1.345 0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.121 1.525 -0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.975 -0.176 -1.239 1.00 0.00 H new ATOM 1314 N ARG A 81 8.465 -3.732 -1.102 1.00 0.00 N ATOM 1315 CA ARG A 81 9.349 -4.860 -0.850 1.00 0.00 C ATOM 1316 C ARG A 81 10.527 -4.885 -1.824 1.00 0.00 C ATOM 1317 O ARG A 81 11.667 -5.075 -1.405 1.00 0.00 O ATOM 1318 CB ARG A 81 8.561 -6.166 -0.886 1.00 0.00 C ATOM 1319 CG ARG A 81 7.468 -6.166 0.191 1.00 0.00 C ATOM 1320 CD ARG A 81 7.564 -7.398 1.084 1.00 0.00 C ATOM 1321 NE ARG A 81 8.767 -7.389 1.929 1.00 0.00 N ATOM 1322 CZ ARG A 81 9.174 -8.441 2.649 1.00 0.00 C ATOM 1323 NH1 ARG A 81 8.494 -9.587 2.567 1.00 0.00 N ATOM 1324 NH2 ARG A 81 10.243 -8.317 3.430 1.00 0.00 N ATOM 0 H ARG A 81 7.489 -3.998 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 81 9.772 -4.744 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.110 -6.298 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.235 -7.008 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.556 -5.266 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.487 -6.135 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.679 -7.453 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.567 -8.294 0.463 1.00 0.00 H new ATOM 0 HE ARG A 81 9.322 -6.534 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.676 -9.652 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.793 -10.397 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.742 -7.428 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.564 -9.111 3.984 1.00 0.00 H new ATOM 1338 N ARG A 82 10.280 -4.644 -3.112 1.00 0.00 N ATOM 1339 CA ARG A 82 11.371 -4.603 -4.080 1.00 0.00 C ATOM 1340 C ARG A 82 12.428 -3.560 -3.690 1.00 0.00 C ATOM 1341 O ARG A 82 13.625 -3.779 -3.891 1.00 0.00 O ATOM 1342 CB ARG A 82 10.832 -4.465 -5.512 1.00 0.00 C ATOM 1343 CG ARG A 82 10.169 -3.128 -5.865 1.00 0.00 C ATOM 1344 CD ARG A 82 11.162 -2.052 -6.339 1.00 0.00 C ATOM 1345 NE ARG A 82 10.455 -0.915 -6.948 1.00 0.00 N ATOM 1346 CZ ARG A 82 11.020 0.247 -7.315 1.00 0.00 C ATOM 1347 NH1 ARG A 82 12.295 0.505 -7.021 1.00 0.00 N ATOM 1348 NH2 ARG A 82 10.305 1.147 -7.985 1.00 0.00 N ATOM 0 H ARG A 82 9.352 -4.477 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 82 11.899 -5.557 -4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.657 -4.631 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.107 -5.261 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.428 -3.295 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.633 -2.756 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.758 -1.705 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.854 -2.484 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 82 9.452 -1.017 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.851 -0.183 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.715 1.390 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.331 0.953 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.731 2.030 -8.265 1.00 0.00 H new