USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 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 60 GLN : amide:sc= -0.384 K(o=-2.4,f=-3.5) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.99! C(o=-2.4!,f=-2.8!) USER MOD Set 2.1: A 20 SER OG : rot 22:sc= 0.698 USER MOD Set 2.2: A 46 CYS SG : rot -72:sc= -0.913 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00882) USER MOD Single : A 21 GLN : amide:sc= -0.58 K(o=-0.58,f=-0.062) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.165 K(o=0.17,f=-1.6) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.06! C(o=-2.1!,f=-8.8!) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.03) USER MOD Single : A 33 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.25) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.364 (180deg=-0.0678!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 1.21 K(o=1.2,f=-7.5!) USER MOD Single : A 51 CYS SG : rot -140:sc= -0.887 USER MOD Single : A 53 GLN : amide:sc= 2.84 K(o=2.8,f=-5.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.014) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00127 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.469 K(o=-0.47,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -4.710 -2.043 6.795 1.00 0.00 N ATOM 271 CA LYS A 15 -3.795 -3.070 7.243 1.00 0.00 C ATOM 272 C LYS A 15 -4.225 -4.402 6.645 1.00 0.00 C ATOM 273 O LYS A 15 -5.413 -4.609 6.394 1.00 0.00 O ATOM 274 CB LYS A 15 -3.777 -3.137 8.773 1.00 0.00 C ATOM 275 CG LYS A 15 -5.155 -3.362 9.398 1.00 0.00 C ATOM 276 CD LYS A 15 -4.966 -3.663 10.887 1.00 0.00 C ATOM 277 CE LYS A 15 -6.090 -3.088 11.751 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.964 -1.621 11.885 1.00 0.00 N ATOM 0 HA LYS A 15 -2.783 -2.836 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.112 -3.942 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.359 -2.209 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.780 -2.479 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.664 -4.190 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.917 -4.742 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.012 -3.253 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.055 -3.334 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.066 -3.549 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.677 -1.271 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.014 -1.385 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.113 -1.174 10.958 1.00 0.00 H new ATOM 292 N TRP A 16 -3.257 -5.290 6.469 1.00 0.00 N ATOM 293 CA TRP A 16 -3.486 -6.670 6.090 1.00 0.00 C ATOM 294 C TRP A 16 -3.774 -7.435 7.377 1.00 0.00 C ATOM 295 O TRP A 16 -2.978 -7.336 8.317 1.00 0.00 O ATOM 296 CB TRP A 16 -2.213 -7.166 5.411 1.00 0.00 C ATOM 297 CG TRP A 16 -1.846 -6.431 4.159 1.00 0.00 C ATOM 298 CD1 TRP A 16 -1.272 -5.210 4.084 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.056 -6.848 2.782 1.00 0.00 C ATOM 300 NE1 TRP A 16 -1.026 -4.889 2.770 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.497 -5.865 1.919 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.610 -7.986 2.171 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.501 -6.006 0.527 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.612 -8.148 0.781 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.076 -7.149 -0.048 1.00 0.00 C ATOM 0 H TRP A 16 -2.270 -5.062 6.589 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.322 -6.800 5.403 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.387 -7.088 6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.332 -8.223 5.174 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.041 -4.580 4.930 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.555 -4.037 2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.046 -8.756 2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.065 -5.242 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.027 -9.044 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.106 -7.260 -1.122 1.00 0.00 H new ATOM 316 N GLY A 17 -4.905 -8.129 7.468 1.00 0.00 N ATOM 317 CA GLY A 17 -5.339 -8.736 8.711 1.00 0.00 C ATOM 318 C GLY A 17 -4.561 -10.014 9.023 1.00 0.00 C ATOM 319 O GLY A 17 -3.556 -10.325 8.379 1.00 0.00 O ATOM 0 H GLY A 17 -5.539 -8.283 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.211 -8.025 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.403 -8.964 8.652 1.00 0.00 H new ATOM 323 N PRO A 18 -4.991 -10.778 10.033 1.00 0.00 N ATOM 324 CA PRO A 18 -4.475 -12.117 10.248 1.00 0.00 C ATOM 325 C PRO A 18 -4.853 -12.997 9.054 1.00 0.00 C ATOM 326 O PRO A 18 -5.855 -12.751 8.389 1.00 0.00 O ATOM 327 CB PRO A 18 -5.133 -12.596 11.544 1.00 0.00 C ATOM 328 CG PRO A 18 -6.452 -11.822 11.572 1.00 0.00 C ATOM 329 CD PRO A 18 -6.087 -10.481 10.939 1.00 0.00 C ATOM 0 HA PRO A 18 -3.389 -12.154 10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.298 -13.673 11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.517 -12.373 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.231 -12.334 11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.824 -11.699 12.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.935 -10.053 10.405 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.788 -9.756 11.696 1.00 0.00 H new ATOM 337 N ALA A 19 -4.039 -14.011 8.767 1.00 0.00 N ATOM 338 CA ALA A 19 -4.180 -14.983 7.696 1.00 0.00 C ATOM 339 C ALA A 19 -3.794 -14.389 6.343 1.00 0.00 C ATOM 340 O ALA A 19 -3.077 -15.007 5.567 1.00 0.00 O ATOM 341 CB ALA A 19 -5.558 -15.620 7.723 1.00 0.00 C ATOM 0 H ALA A 19 -3.201 -14.183 9.322 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.471 -15.794 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.640 -16.344 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.707 -16.125 8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.318 -14.849 7.599 1.00 0.00 H new ATOM 347 N SER A 20 -4.153 -13.135 6.119 1.00 0.00 N ATOM 348 CA SER A 20 -3.582 -12.302 5.076 1.00 0.00 C ATOM 349 C SER A 20 -2.064 -12.536 4.961 1.00 0.00 C ATOM 350 O SER A 20 -1.505 -12.774 3.894 1.00 0.00 O ATOM 351 CB SER A 20 -3.877 -10.851 5.473 1.00 0.00 C ATOM 352 OG SER A 20 -4.076 -10.018 4.368 1.00 0.00 O ATOM 0 H SER A 20 -4.866 -12.658 6.671 1.00 0.00 H new ATOM 0 HA SER A 20 -4.013 -12.540 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.764 -10.825 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.049 -10.466 6.068 1.00 0.00 H new ATOM 0 HG SER A 20 -4.331 -10.559 3.592 1.00 0.00 H new ATOM 358 N GLN A 21 -1.376 -12.474 6.104 1.00 0.00 N ATOM 359 CA GLN A 21 0.077 -12.527 6.166 1.00 0.00 C ATOM 360 C GLN A 21 0.663 -13.846 5.660 1.00 0.00 C ATOM 361 O GLN A 21 1.722 -13.829 5.035 1.00 0.00 O ATOM 362 CB GLN A 21 0.542 -12.225 7.595 1.00 0.00 C ATOM 363 CG GLN A 21 0.076 -10.861 8.121 1.00 0.00 C ATOM 364 CD GLN A 21 0.647 -9.681 7.343 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.542 -8.987 7.817 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.110 -9.385 6.170 1.00 0.00 N ATOM 0 H GLN A 21 -1.821 -12.385 7.018 1.00 0.00 H new ATOM 0 HA GLN A 21 0.456 -11.763 5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.173 -13.006 8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.631 -12.265 7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.012 -10.818 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.362 -10.768 9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.633 -9.970 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.439 -8.572 5.649 1.00 0.00 H new ATOM 375 N GLN A 22 0.040 -14.991 5.952 1.00 0.00 N ATOM 376 CA GLN A 22 0.579 -16.260 5.458 1.00 0.00 C ATOM 377 C GLN A 22 0.562 -16.239 3.932 1.00 0.00 C ATOM 378 O GLN A 22 1.533 -16.612 3.288 1.00 0.00 O ATOM 379 CB GLN A 22 -0.124 -17.496 6.054 1.00 0.00 C ATOM 380 CG GLN A 22 -1.642 -17.397 6.019 1.00 0.00 C ATOM 381 CD GLN A 22 -2.365 -18.671 6.409 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.441 -19.614 5.634 1.00 0.00 O ATOM 383 NE2 GLN A 22 -2.914 -18.734 7.617 1.00 0.00 N ATOM 0 H GLN A 22 -0.811 -15.067 6.510 1.00 0.00 H new ATOM 0 HA GLN A 22 1.610 -16.357 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.189 -18.384 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.201 -17.629 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.957 -16.596 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.952 -17.112 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.842 -17.939 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.408 -19.577 7.910 1.00 0.00 H new ATOM 392 N ILE A 23 -0.523 -15.738 3.354 1.00 0.00 N ATOM 393 CA ILE A 23 -0.705 -15.734 1.916 1.00 0.00 C ATOM 394 C ILE A 23 0.180 -14.675 1.250 1.00 0.00 C ATOM 395 O ILE A 23 0.757 -14.920 0.193 1.00 0.00 O ATOM 396 CB ILE A 23 -2.212 -15.663 1.636 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.784 -17.075 1.832 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.543 -15.154 0.238 1.00 0.00 C ATOM 399 CD1 ILE A 23 -4.198 -17.027 2.382 1.00 0.00 C ATOM 0 H ILE A 23 -1.298 -15.325 3.872 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.356 -16.654 1.447 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.658 -14.946 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.780 -17.606 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.145 -17.637 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.625 -15.129 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.139 -14.150 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.103 -15.819 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.574 -18.042 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.197 -16.517 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.841 -16.487 1.687 1.00 0.00 H new ATOM 411 N LEU A 24 0.390 -13.518 1.873 1.00 0.00 N ATOM 412 CA LEU A 24 1.406 -12.609 1.355 1.00 0.00 C ATOM 413 C LEU A 24 2.772 -13.286 1.312 1.00 0.00 C ATOM 414 O LEU A 24 3.452 -13.247 0.284 1.00 0.00 O ATOM 415 CB LEU A 24 1.487 -11.336 2.196 1.00 0.00 C ATOM 416 CG LEU A 24 0.358 -10.339 1.916 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.767 -9.032 2.583 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.163 -10.108 0.417 1.00 0.00 C ATOM 0 H LEU A 24 -0.107 -13.197 2.704 1.00 0.00 H new ATOM 0 HA LEU A 24 1.115 -12.338 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.467 -11.607 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.444 -10.849 2.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.586 -10.724 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.005 -8.281 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.890 -9.193 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.709 -8.686 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.647 -9.395 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.083 -9.712 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.087 -11.052 -0.067 1.00 0.00 H new ATOM 430 N PHE A 25 3.177 -13.891 2.432 1.00 0.00 N ATOM 431 CA PHE A 25 4.402 -14.666 2.474 1.00 0.00 C ATOM 432 C PHE A 25 4.387 -15.676 1.321 1.00 0.00 C ATOM 433 O PHE A 25 5.369 -15.736 0.592 1.00 0.00 O ATOM 434 CB PHE A 25 4.611 -15.369 3.827 1.00 0.00 C ATOM 435 CG PHE A 25 5.082 -14.549 5.024 1.00 0.00 C ATOM 436 CD1 PHE A 25 4.732 -13.195 5.199 1.00 0.00 C ATOM 437 CD2 PHE A 25 5.769 -15.217 6.054 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.002 -12.546 6.418 1.00 0.00 C ATOM 439 CE2 PHE A 25 6.039 -14.571 7.272 1.00 0.00 C ATOM 440 CZ PHE A 25 5.642 -13.237 7.461 1.00 0.00 C ATOM 0 H PHE A 25 2.670 -13.854 3.316 1.00 0.00 H new ATOM 0 HA PHE A 25 5.245 -13.984 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.667 -15.840 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.334 -16.170 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.255 -12.654 4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.092 -16.237 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.716 -11.513 6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.551 -15.100 8.062 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.828 -12.744 8.404 1.00 0.00 H new ATOM 450 N GLN A 26 3.312 -16.451 1.142 1.00 0.00 N ATOM 451 CA GLN A 26 3.293 -17.559 0.188 1.00 0.00 C ATOM 452 C GLN A 26 3.531 -17.021 -1.230 1.00 0.00 C ATOM 453 O GLN A 26 4.358 -17.544 -1.974 1.00 0.00 O ATOM 454 CB GLN A 26 2.003 -18.409 0.324 1.00 0.00 C ATOM 455 CG GLN A 26 0.864 -18.073 -0.653 1.00 0.00 C ATOM 456 CD GLN A 26 -0.476 -18.702 -0.295 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.680 -19.206 0.804 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.415 -18.653 -1.220 1.00 0.00 N ATOM 0 H GLN A 26 2.437 -16.327 1.652 1.00 0.00 H new ATOM 0 HA GLN A 26 4.108 -18.247 0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.268 -19.458 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.626 -18.300 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.744 -16.990 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.150 -18.400 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.217 -18.228 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.339 -19.041 -1.030 1.00 0.00 H new ATOM 467 N ALA A 27 2.843 -15.938 -1.604 1.00 0.00 N ATOM 468 CA ALA A 27 2.996 -15.375 -2.932 1.00 0.00 C ATOM 469 C ALA A 27 4.437 -14.919 -3.109 1.00 0.00 C ATOM 470 O ALA A 27 5.123 -15.376 -4.015 1.00 0.00 O ATOM 471 CB ALA A 27 2.017 -14.222 -3.142 1.00 0.00 C ATOM 0 H ALA A 27 2.182 -15.443 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 27 2.769 -16.132 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.147 -13.812 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.996 -14.586 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.209 -13.443 -2.404 1.00 0.00 H new ATOM 477 N TYR A 28 4.907 -14.048 -2.214 1.00 0.00 N ATOM 478 CA TYR A 28 6.267 -13.532 -2.273 1.00 0.00 C ATOM 479 C TYR A 28 7.300 -14.664 -2.258 1.00 0.00 C ATOM 480 O TYR A 28 8.394 -14.540 -2.815 1.00 0.00 O ATOM 481 CB TYR A 28 6.471 -12.556 -1.116 1.00 0.00 C ATOM 482 CG TYR A 28 7.852 -11.942 -1.057 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.179 -10.852 -1.887 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.852 -12.540 -0.273 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.494 -10.362 -1.922 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.156 -12.018 -0.279 1.00 0.00 C ATOM 487 CZ TYR A 28 10.481 -10.941 -1.115 1.00 0.00 C ATOM 488 OH TYR A 28 11.660 -10.290 -0.922 1.00 0.00 O ATOM 0 H TYR A 28 4.357 -13.686 -1.435 1.00 0.00 H new ATOM 0 HA TYR A 28 6.415 -13.003 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.734 -11.757 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.277 -13.077 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.416 -10.392 -2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.618 -13.402 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.745 -9.537 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.911 -12.448 0.363 1.00 0.00 H new ATOM 0 HH TYR A 28 12.237 -10.824 -0.337 1.00 0.00 H new ATOM 498 N GLU A 29 6.984 -15.769 -1.588 1.00 0.00 N ATOM 499 CA GLU A 29 7.819 -16.947 -1.588 1.00 0.00 C ATOM 500 C GLU A 29 7.953 -17.441 -3.026 1.00 0.00 C ATOM 501 O GLU A 29 9.076 -17.567 -3.517 1.00 0.00 O ATOM 502 CB GLU A 29 7.230 -18.000 -0.642 1.00 0.00 C ATOM 503 CG GLU A 29 8.231 -19.067 -0.205 1.00 0.00 C ATOM 504 CD GLU A 29 7.811 -19.645 1.132 1.00 0.00 C ATOM 505 OE1 GLU A 29 6.601 -19.852 1.334 1.00 0.00 O ATOM 506 OE2 GLU A 29 8.686 -19.765 2.013 1.00 0.00 O ATOM 0 H GLU A 29 6.136 -15.864 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 29 8.819 -16.724 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.837 -17.500 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.387 -18.486 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.284 -19.858 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.228 -18.634 -0.128 1.00 0.00 H new ATOM 513 N ARG A 30 6.834 -17.701 -3.703 1.00 0.00 N ATOM 514 CA ARG A 30 6.879 -18.331 -5.012 1.00 0.00 C ATOM 515 C ARG A 30 7.359 -17.342 -6.088 1.00 0.00 C ATOM 516 O ARG A 30 8.320 -17.628 -6.799 1.00 0.00 O ATOM 517 CB ARG A 30 5.551 -19.045 -5.335 1.00 0.00 C ATOM 518 CG ARG A 30 4.471 -18.178 -5.997 1.00 0.00 C ATOM 519 CD ARG A 30 3.141 -18.931 -6.094 1.00 0.00 C ATOM 520 NE ARG A 30 2.223 -18.253 -7.023 1.00 0.00 N ATOM 521 CZ ARG A 30 0.907 -18.483 -7.121 1.00 0.00 C ATOM 522 NH1 ARG A 30 0.327 -19.376 -6.324 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.198 -17.824 -8.034 1.00 0.00 N ATOM 0 H ARG A 30 5.896 -17.485 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 30 7.628 -19.123 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.764 -19.890 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.145 -19.454 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.333 -17.262 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.798 -17.882 -6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.320 -19.952 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.683 -18.998 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 30 2.622 -17.549 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.884 -19.886 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.675 -19.551 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.657 -17.153 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.805 -17.990 -8.119 1.00 0.00 H new ATOM 537 N GLN A 31 6.718 -16.175 -6.205 1.00 0.00 N ATOM 538 CA GLN A 31 6.979 -15.178 -7.231 1.00 0.00 C ATOM 539 C GLN A 31 7.075 -13.811 -6.549 1.00 0.00 C ATOM 540 O GLN A 31 6.270 -13.466 -5.691 1.00 0.00 O ATOM 541 CB GLN A 31 5.889 -15.271 -8.309 1.00 0.00 C ATOM 542 CG GLN A 31 6.088 -14.311 -9.491 1.00 0.00 C ATOM 543 CD GLN A 31 5.328 -13.004 -9.294 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.713 -12.174 -8.481 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.234 -12.798 -10.015 1.00 0.00 N ATOM 0 H GLN A 31 5.978 -15.895 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 31 7.925 -15.346 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.854 -16.293 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.922 -15.068 -7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.150 -14.099 -9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.752 -14.792 -10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.927 -13.500 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.700 -11.937 -9.896 1.00 0.00 H new ATOM 554 N LYS A 32 8.128 -13.065 -6.880 1.00 0.00 N ATOM 555 CA LYS A 32 8.595 -11.928 -6.097 1.00 0.00 C ATOM 556 C LYS A 32 8.326 -10.617 -6.820 1.00 0.00 C ATOM 557 O LYS A 32 7.796 -9.666 -6.255 1.00 0.00 O ATOM 558 CB LYS A 32 10.096 -12.122 -5.871 1.00 0.00 C ATOM 559 CG LYS A 32 10.269 -13.266 -4.864 1.00 0.00 C ATOM 560 CD LYS A 32 11.717 -13.746 -4.736 1.00 0.00 C ATOM 561 CE LYS A 32 11.750 -15.210 -4.266 1.00 0.00 C ATOM 562 NZ LYS A 32 10.979 -15.449 -3.031 1.00 0.00 N ATOM 0 H LYS A 32 8.688 -13.239 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 32 8.064 -11.878 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.597 -12.359 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.548 -11.206 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.915 -12.937 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.641 -14.104 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.225 -13.653 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.256 -13.116 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.358 -15.847 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.786 -15.507 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.668 -16.441 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.577 -15.250 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.147 -14.825 -3.015 1.00 0.00 H new ATOM 576 N ASN A 33 8.752 -10.553 -8.077 1.00 0.00 N ATOM 577 CA ASN A 33 8.543 -9.416 -8.947 1.00 0.00 C ATOM 578 C ASN A 33 7.091 -9.531 -9.425 1.00 0.00 C ATOM 579 O ASN A 33 6.810 -10.419 -10.228 1.00 0.00 O ATOM 580 CB ASN A 33 9.619 -9.507 -10.043 1.00 0.00 C ATOM 581 CG ASN A 33 9.224 -8.897 -11.374 1.00 0.00 C ATOM 582 OD1 ASN A 33 9.641 -7.795 -11.719 1.00 0.00 O ATOM 583 ND2 ASN A 33 8.457 -9.642 -12.147 1.00 0.00 N ATOM 0 H ASN A 33 9.265 -11.313 -8.524 1.00 0.00 H new ATOM 0 HA ASN A 33 8.654 -8.431 -8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.523 -9.013 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.870 -10.556 -10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.188 -9.308 -13.072 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.133 -10.552 -11.819 1.00 0.00 H new ATOM 590 N PRO A 34 6.158 -8.706 -8.918 1.00 0.00 N ATOM 591 CA PRO A 34 4.735 -8.999 -8.984 1.00 0.00 C ATOM 592 C PRO A 34 4.227 -8.800 -10.409 1.00 0.00 C ATOM 593 O PRO A 34 3.939 -7.667 -10.797 1.00 0.00 O ATOM 594 CB PRO A 34 4.083 -8.023 -7.997 1.00 0.00 C ATOM 595 CG PRO A 34 5.017 -6.813 -8.034 1.00 0.00 C ATOM 596 CD PRO A 34 6.388 -7.474 -8.176 1.00 0.00 C ATOM 0 HA PRO A 34 4.500 -10.031 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.070 -7.759 -8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.015 -8.448 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.794 -6.151 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.945 -6.214 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.084 -6.823 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.826 -7.681 -7.199 1.00 0.00 H new ATOM 604 N SER A 35 4.113 -9.870 -11.197 1.00 0.00 N ATOM 605 CA SER A 35 3.789 -9.765 -12.609 1.00 0.00 C ATOM 606 C SER A 35 2.397 -9.148 -12.772 1.00 0.00 C ATOM 607 O SER A 35 2.283 -7.933 -12.959 1.00 0.00 O ATOM 608 CB SER A 35 3.968 -11.123 -13.309 1.00 0.00 C ATOM 609 OG SER A 35 3.886 -10.921 -14.705 1.00 0.00 O ATOM 0 H SER A 35 4.243 -10.827 -10.870 1.00 0.00 H new ATOM 0 HA SER A 35 4.484 -9.091 -13.110 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.931 -11.561 -13.045 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.199 -11.822 -12.981 1.00 0.00 H new ATOM 0 HG SER A 35 4.000 -11.778 -15.167 1.00 0.00 H new ATOM 615 N LYS A 36 1.341 -9.945 -12.633 1.00 0.00 N ATOM 616 CA LYS A 36 -0.031 -9.482 -12.740 1.00 0.00 C ATOM 617 C LYS A 36 -0.927 -10.598 -12.224 1.00 0.00 C ATOM 618 O LYS A 36 -1.593 -10.423 -11.215 1.00 0.00 O ATOM 619 CB LYS A 36 -0.353 -9.089 -14.188 1.00 0.00 C ATOM 620 CG LYS A 36 -1.843 -8.905 -14.557 1.00 0.00 C ATOM 621 CD LYS A 36 -2.601 -7.744 -13.882 1.00 0.00 C ATOM 622 CE LYS A 36 -3.058 -8.102 -12.458 1.00 0.00 C ATOM 623 NZ LYS A 36 -3.930 -7.104 -11.818 1.00 0.00 N ATOM 0 H LYS A 36 1.420 -10.944 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.196 -8.585 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.167 -8.157 -14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.066 -9.851 -14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.909 -8.768 -15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.366 -9.832 -14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.958 -6.865 -13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.469 -7.479 -14.485 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.584 -9.056 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.176 -8.246 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.132 -7.396 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.454 -6.180 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.821 -7.031 -12.349 1.00 0.00 H new ATOM 637 N GLU A 37 -0.904 -11.750 -12.875 1.00 0.00 N ATOM 638 CA GLU A 37 -1.938 -12.746 -12.755 1.00 0.00 C ATOM 639 C GLU A 37 -1.855 -13.307 -11.331 1.00 0.00 C ATOM 640 O GLU A 37 -2.857 -13.450 -10.631 1.00 0.00 O ATOM 641 CB GLU A 37 -1.529 -13.789 -13.799 1.00 0.00 C ATOM 642 CG GLU A 37 -2.580 -13.763 -14.904 1.00 0.00 C ATOM 643 CD GLU A 37 -2.492 -12.376 -15.545 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.343 -11.882 -15.650 1.00 0.00 O ATOM 645 OE2 GLU A 37 -3.553 -11.762 -15.771 1.00 0.00 O ATOM 0 H GLU A 37 -0.151 -12.016 -13.510 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.958 -12.397 -12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.542 -13.562 -14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.469 -14.780 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.391 -14.545 -15.640 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.576 -13.942 -14.498 1.00 0.00 H new ATOM 652 N GLU A 38 -0.609 -13.525 -10.891 1.00 0.00 N ATOM 653 CA GLU A 38 -0.230 -13.781 -9.511 1.00 0.00 C ATOM 654 C GLU A 38 -1.059 -12.928 -8.558 1.00 0.00 C ATOM 655 O GLU A 38 -1.562 -13.415 -7.553 1.00 0.00 O ATOM 656 CB GLU A 38 1.253 -13.409 -9.320 1.00 0.00 C ATOM 657 CG GLU A 38 2.028 -14.521 -8.611 1.00 0.00 C ATOM 658 CD GLU A 38 2.511 -15.572 -9.588 1.00 0.00 C ATOM 659 OE1 GLU A 38 3.114 -15.172 -10.604 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.271 -16.760 -9.295 1.00 0.00 O ATOM 0 H GLU A 38 0.192 -13.526 -11.522 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.400 -14.836 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.707 -13.211 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.326 -12.488 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.881 -14.093 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.391 -14.987 -7.859 1.00 0.00 H new ATOM 667 N ARG A 39 -1.133 -11.629 -8.846 1.00 0.00 N ATOM 668 CA ARG A 39 -1.802 -10.697 -7.970 1.00 0.00 C ATOM 669 C ARG A 39 -3.268 -11.052 -7.853 1.00 0.00 C ATOM 670 O ARG A 39 -3.774 -11.096 -6.748 1.00 0.00 O ATOM 671 CB ARG A 39 -1.715 -9.238 -8.424 1.00 0.00 C ATOM 672 CG ARG A 39 -0.303 -8.781 -8.755 1.00 0.00 C ATOM 673 CD ARG A 39 -0.395 -7.324 -9.214 1.00 0.00 C ATOM 674 NE ARG A 39 0.826 -6.964 -9.925 1.00 0.00 N ATOM 675 CZ ARG A 39 0.991 -5.843 -10.653 1.00 0.00 C ATOM 676 NH1 ARG A 39 0.030 -4.922 -10.748 1.00 0.00 N ATOM 677 NH2 ARG A 39 2.137 -5.630 -11.286 1.00 0.00 N ATOM 0 H ARG A 39 -0.733 -11.207 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.283 -10.781 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.346 -9.102 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.119 -8.598 -7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.344 -8.869 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.130 -9.404 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.260 -7.189 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.536 -6.668 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 39 1.614 -7.609 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.856 -5.058 -10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.182 -4.082 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.891 -6.314 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.265 -4.782 -11.838 1.00 0.00 H new ATOM 691 N GLU A 40 -3.951 -11.245 -8.974 1.00 0.00 N ATOM 692 CA GLU A 40 -5.400 -11.384 -8.976 1.00 0.00 C ATOM 693 C GLU A 40 -5.764 -12.665 -8.221 1.00 0.00 C ATOM 694 O GLU A 40 -6.588 -12.653 -7.305 1.00 0.00 O ATOM 695 CB GLU A 40 -5.930 -11.329 -10.418 1.00 0.00 C ATOM 696 CG GLU A 40 -6.791 -10.074 -10.655 1.00 0.00 C ATOM 697 CD GLU A 40 -5.993 -8.781 -10.667 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.946 -8.684 -9.986 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.348 -7.865 -11.440 1.00 0.00 O ATOM 0 H GLU A 40 -3.522 -11.309 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.884 -10.557 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.092 -11.334 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.521 -12.221 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.314 -10.177 -11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.552 -10.014 -9.877 1.00 0.00 H new ATOM 706 N THR A 41 -5.053 -13.750 -8.535 1.00 0.00 N ATOM 707 CA THR A 41 -5.013 -14.956 -7.720 1.00 0.00 C ATOM 708 C THR A 41 -4.863 -14.579 -6.249 1.00 0.00 C ATOM 709 O THR A 41 -5.691 -14.942 -5.420 1.00 0.00 O ATOM 710 CB THR A 41 -3.831 -15.818 -8.203 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.267 -16.754 -9.170 1.00 0.00 O ATOM 712 CG2 THR A 41 -3.055 -16.527 -7.088 1.00 0.00 C ATOM 0 H THR A 41 -4.481 -13.812 -9.377 1.00 0.00 H new ATOM 0 HA THR A 41 -5.937 -15.525 -7.820 1.00 0.00 H new ATOM 0 HB THR A 41 -3.124 -15.117 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.506 -17.294 -9.469 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.243 -17.109 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.644 -15.786 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.726 -17.191 -6.543 1.00 0.00 H new ATOM 720 N LEU A 42 -3.796 -13.861 -5.915 1.00 0.00 N ATOM 721 CA LEU A 42 -3.434 -13.580 -4.548 1.00 0.00 C ATOM 722 C LEU A 42 -4.571 -12.808 -3.891 1.00 0.00 C ATOM 723 O LEU A 42 -4.895 -13.077 -2.746 1.00 0.00 O ATOM 724 CB LEU A 42 -2.078 -12.860 -4.539 1.00 0.00 C ATOM 725 CG LEU A 42 -1.772 -12.103 -3.249 1.00 0.00 C ATOM 726 CD1 LEU A 42 -1.686 -13.041 -2.049 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.445 -11.361 -3.398 1.00 0.00 C ATOM 0 H LEU A 42 -3.157 -13.458 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.301 -14.485 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.290 -13.594 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.048 -12.159 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.587 -11.400 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.467 -12.464 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.636 -13.560 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.893 -13.771 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.225 -10.820 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.352 -12.077 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.514 -10.655 -4.226 1.00 0.00 H new ATOM 739 N VAL A 43 -5.192 -11.857 -4.585 1.00 0.00 N ATOM 740 CA VAL A 43 -6.309 -11.122 -4.040 1.00 0.00 C ATOM 741 C VAL A 43 -7.388 -12.102 -3.596 1.00 0.00 C ATOM 742 O VAL A 43 -7.855 -12.004 -2.470 1.00 0.00 O ATOM 743 CB VAL A 43 -6.879 -10.113 -5.049 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.134 -9.521 -4.416 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.922 -8.960 -5.367 1.00 0.00 C ATOM 0 H VAL A 43 -4.931 -11.583 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.956 -10.550 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.066 -10.638 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.577 -8.795 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.851 -10.317 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.871 -9.027 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.390 -8.287 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.695 -8.413 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.000 -9.359 -5.790 1.00 0.00 H new ATOM 755 N GLU A 44 -7.818 -12.990 -4.485 1.00 0.00 N ATOM 756 CA GLU A 44 -8.853 -13.975 -4.208 1.00 0.00 C ATOM 757 C GLU A 44 -8.424 -14.851 -3.027 1.00 0.00 C ATOM 758 O GLU A 44 -9.095 -14.875 -1.992 1.00 0.00 O ATOM 759 CB GLU A 44 -9.100 -14.747 -5.513 1.00 0.00 C ATOM 760 CG GLU A 44 -9.680 -16.161 -5.404 1.00 0.00 C ATOM 761 CD GLU A 44 -10.945 -16.269 -4.564 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.695 -15.282 -4.416 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.205 -17.360 -4.021 1.00 0.00 O ATOM 0 H GLU A 44 -7.450 -13.045 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.797 -13.523 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.775 -14.154 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.153 -14.813 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.894 -16.529 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.921 -16.818 -4.979 1.00 0.00 H new ATOM 770 N GLU A 45 -7.285 -15.531 -3.160 1.00 0.00 N ATOM 771 CA GLU A 45 -6.761 -16.450 -2.159 1.00 0.00 C ATOM 772 C GLU A 45 -6.713 -15.742 -0.797 1.00 0.00 C ATOM 773 O GLU A 45 -7.114 -16.303 0.230 1.00 0.00 O ATOM 774 CB GLU A 45 -5.377 -16.965 -2.588 1.00 0.00 C ATOM 775 CG GLU A 45 -5.406 -18.466 -2.894 1.00 0.00 C ATOM 776 CD GLU A 45 -4.019 -19.053 -3.041 1.00 0.00 C ATOM 777 OE1 GLU A 45 -3.316 -18.703 -4.010 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.663 -19.894 -2.188 1.00 0.00 O ATOM 0 H GLU A 45 -6.691 -15.454 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.415 -17.317 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.042 -16.419 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.653 -16.768 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.935 -18.986 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.968 -18.636 -3.812 1.00 0.00 H new ATOM 785 N CYS A 46 -6.233 -14.498 -0.811 1.00 0.00 N ATOM 786 CA CYS A 46 -6.112 -13.661 0.375 1.00 0.00 C ATOM 787 C CYS A 46 -7.488 -13.392 0.936 1.00 0.00 C ATOM 788 O CYS A 46 -7.769 -13.688 2.086 1.00 0.00 O ATOM 789 CB CYS A 46 -5.470 -12.294 0.100 1.00 0.00 C ATOM 790 SG CYS A 46 -4.935 -11.659 1.706 1.00 0.00 S ATOM 0 H CYS A 46 -5.913 -14.039 -1.664 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.472 -14.210 1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.625 -12.390 -0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.183 -11.616 -0.369 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.975 -11.299 2.398 1.00 0.00 H new ATOM 796 N ASN A 47 -8.352 -12.818 0.107 1.00 0.00 N ATOM 797 CA ASN A 47 -9.682 -12.354 0.452 1.00 0.00 C ATOM 798 C ASN A 47 -10.486 -13.492 1.042 1.00 0.00 C ATOM 799 O ASN A 47 -11.257 -13.272 1.969 1.00 0.00 O ATOM 800 CB ASN A 47 -10.404 -11.774 -0.776 1.00 0.00 C ATOM 801 CG ASN A 47 -10.068 -10.310 -1.032 1.00 0.00 C ATOM 802 OD1 ASN A 47 -9.564 -9.602 -0.166 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.376 -9.811 -2.221 1.00 0.00 N ATOM 0 H ASN A 47 -8.127 -12.657 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.586 -11.559 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.139 -12.360 -1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.481 -11.875 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.194 -8.828 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.795 -10.410 -2.933 1.00 0.00 H new ATOM 810 N ARG A 48 -10.323 -14.710 0.535 1.00 0.00 N ATOM 811 CA ARG A 48 -10.965 -15.873 1.110 1.00 0.00 C ATOM 812 C ARG A 48 -10.440 -16.088 2.528 1.00 0.00 C ATOM 813 O ARG A 48 -11.219 -16.152 3.480 1.00 0.00 O ATOM 814 CB ARG A 48 -10.756 -17.087 0.196 1.00 0.00 C ATOM 815 CG ARG A 48 -11.782 -18.193 0.508 1.00 0.00 C ATOM 816 CD ARG A 48 -12.126 -19.020 -0.741 1.00 0.00 C ATOM 817 NE ARG A 48 -12.538 -18.173 -1.875 1.00 0.00 N ATOM 818 CZ ARG A 48 -13.599 -17.359 -1.935 1.00 0.00 C ATOM 819 NH1 ARG A 48 -14.561 -17.479 -1.010 1.00 0.00 N ATOM 820 NH2 ARG A 48 -13.673 -16.433 -2.891 1.00 0.00 N ATOM 0 H ARG A 48 -9.745 -14.912 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.042 -15.723 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.849 -16.783 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.746 -17.475 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.384 -18.850 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.691 -17.744 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.260 -19.615 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.927 -19.719 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.949 -18.211 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.478 -18.182 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.377 -16.867 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.922 -16.345 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.481 -15.812 -2.938 1.00 0.00 H new ATOM 834 N ALA A 49 -9.118 -16.153 2.689 1.00 0.00 N ATOM 835 CA ALA A 49 -8.495 -16.273 3.999 1.00 0.00 C ATOM 836 C ALA A 49 -8.929 -15.147 4.945 1.00 0.00 C ATOM 837 O ALA A 49 -9.096 -15.383 6.144 1.00 0.00 O ATOM 838 CB ALA A 49 -6.975 -16.336 3.859 1.00 0.00 C ATOM 0 H ALA A 49 -8.454 -16.124 1.915 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.836 -17.205 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.522 -16.426 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.701 -17.200 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.616 -15.427 3.376 1.00 0.00 H new ATOM 844 N GLU A 50 -9.125 -13.947 4.408 1.00 0.00 N ATOM 845 CA GLU A 50 -9.522 -12.741 5.108 1.00 0.00 C ATOM 846 C GLU A 50 -10.973 -12.928 5.567 1.00 0.00 C ATOM 847 O GLU A 50 -11.318 -12.711 6.728 1.00 0.00 O ATOM 848 CB GLU A 50 -9.347 -11.548 4.145 1.00 0.00 C ATOM 849 CG GLU A 50 -8.951 -10.223 4.819 1.00 0.00 C ATOM 850 CD GLU A 50 -7.450 -10.095 5.063 1.00 0.00 C ATOM 851 OE1 GLU A 50 -6.681 -10.512 4.173 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.085 -9.568 6.138 1.00 0.00 O ATOM 0 H GLU A 50 -9.002 -13.786 3.408 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.912 -12.544 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.587 -11.804 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.280 -11.398 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.283 -9.393 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.475 -10.136 5.771 1.00 0.00 H new ATOM 859 N CYS A 51 -11.838 -13.367 4.653 1.00 0.00 N ATOM 860 CA CYS A 51 -13.227 -13.707 4.939 1.00 0.00 C ATOM 861 C CYS A 51 -13.285 -14.695 6.089 1.00 0.00 C ATOM 862 O CYS A 51 -14.024 -14.500 7.052 1.00 0.00 O ATOM 863 CB CYS A 51 -13.990 -14.197 3.713 1.00 0.00 C ATOM 864 SG CYS A 51 -15.049 -15.623 4.068 1.00 0.00 S ATOM 0 H CYS A 51 -11.585 -13.498 3.674 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.739 -12.792 5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.602 -13.384 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.279 -14.464 2.931 1.00 0.00 H new ATOM 0 HG CYS A 51 -14.988 -16.465 3.080 1.00 0.00 H new ATOM 870 N ILE A 52 -12.448 -15.722 6.016 1.00 0.00 N ATOM 871 CA ILE A 52 -12.404 -16.792 6.986 1.00 0.00 C ATOM 872 C ILE A 52 -11.989 -16.205 8.325 1.00 0.00 C ATOM 873 O ILE A 52 -12.556 -16.557 9.358 1.00 0.00 O ATOM 874 CB ILE A 52 -11.406 -17.849 6.492 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.076 -18.658 5.372 1.00 0.00 C ATOM 876 CG2 ILE A 52 -10.918 -18.708 7.664 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.082 -19.509 4.575 1.00 0.00 C ATOM 0 H ILE A 52 -11.769 -15.830 5.262 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.376 -17.269 7.108 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.512 -17.385 6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.837 -19.307 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.588 -17.975 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.211 -19.453 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.427 -18.073 8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.768 -19.210 8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.614 -20.058 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.335 -18.861 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.588 -20.214 5.244 1.00 0.00 H new ATOM 889 N GLN A 53 -11.009 -15.300 8.301 1.00 0.00 N ATOM 890 CA GLN A 53 -10.460 -14.681 9.497 1.00 0.00 C ATOM 891 C GLN A 53 -11.601 -14.242 10.438 1.00 0.00 C ATOM 892 O GLN A 53 -11.554 -14.479 11.648 1.00 0.00 O ATOM 893 CB GLN A 53 -9.457 -13.567 9.104 1.00 0.00 C ATOM 894 CG GLN A 53 -10.002 -12.157 9.356 1.00 0.00 C ATOM 895 CD GLN A 53 -9.373 -11.003 8.579 1.00 0.00 C ATOM 896 OE1 GLN A 53 -10.055 -9.995 8.377 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.122 -11.107 8.162 1.00 0.00 N ATOM 0 H GLN A 53 -10.573 -14.976 7.438 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.877 -15.398 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.534 -13.700 9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.203 -13.670 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.070 -12.166 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.897 -11.942 10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.591 -11.958 8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.688 -10.337 7.653 1.00 0.00 H new ATOM 906 N ARG A 54 -12.657 -13.626 9.893 1.00 0.00 N ATOM 907 CA ARG A 54 -13.798 -13.169 10.675 1.00 0.00 C ATOM 908 C ARG A 54 -14.891 -14.229 10.684 1.00 0.00 C ATOM 909 O ARG A 54 -15.609 -14.360 11.673 1.00 0.00 O ATOM 910 CB ARG A 54 -14.352 -11.845 10.118 1.00 0.00 C ATOM 911 CG ARG A 54 -14.089 -10.679 11.078 1.00 0.00 C ATOM 912 CD ARG A 54 -12.636 -10.182 11.013 1.00 0.00 C ATOM 913 NE ARG A 54 -12.362 -9.408 9.795 1.00 0.00 N ATOM 914 CZ ARG A 54 -12.949 -8.243 9.487 1.00 0.00 C ATOM 915 NH1 ARG A 54 -13.706 -7.617 10.391 1.00 0.00 N ATOM 916 NH2 ARG A 54 -12.787 -7.741 8.268 1.00 0.00 N ATOM 0 H ARG A 54 -12.739 -13.433 8.895 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.461 -12.997 11.697 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.892 -11.634 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.424 -11.941 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.763 -9.856 10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.318 -10.992 12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.427 -9.565 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.961 -11.036 11.057 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.678 -9.783 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.838 -8.025 11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.153 -6.730 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.222 -8.241 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.227 -6.855 8.018 1.00 0.00 H new ATOM 930 N GLY A 55 -15.028 -14.960 9.587 1.00 0.00 N ATOM 931 CA GLY A 55 -16.249 -15.660 9.277 1.00 0.00 C ATOM 932 C GLY A 55 -17.175 -14.612 8.673 1.00 0.00 C ATOM 933 O GLY A 55 -18.231 -14.302 9.211 1.00 0.00 O ATOM 0 H GLY A 55 -14.291 -15.079 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.068 -16.475 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.687 -16.102 10.172 1.00 0.00 H new ATOM 937 N VAL A 56 -16.760 -14.051 7.534 1.00 0.00 N ATOM 938 CA VAL A 56 -17.641 -13.268 6.684 1.00 0.00 C ATOM 939 C VAL A 56 -18.560 -14.291 6.011 1.00 0.00 C ATOM 940 O VAL A 56 -18.346 -15.499 6.114 1.00 0.00 O ATOM 941 CB VAL A 56 -16.795 -12.494 5.643 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.591 -11.752 4.557 1.00 0.00 C ATOM 943 CG2 VAL A 56 -15.900 -11.417 6.254 1.00 0.00 C ATOM 0 H VAL A 56 -15.806 -14.130 7.182 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.220 -12.527 7.236 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.225 -13.314 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.901 -11.245 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.190 -12.467 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.247 -11.018 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.339 -10.919 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.516 -10.686 6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.206 -11.877 6.957 1.00 0.00 H new ATOM 953 N SER A 57 -19.602 -13.831 5.324 1.00 0.00 N ATOM 954 CA SER A 57 -20.321 -14.654 4.367 1.00 0.00 C ATOM 955 C SER A 57 -19.267 -15.345 3.480 1.00 0.00 C ATOM 956 O SER A 57 -18.484 -14.631 2.854 1.00 0.00 O ATOM 957 CB SER A 57 -21.204 -13.723 3.533 1.00 0.00 C ATOM 958 OG SER A 57 -22.580 -13.954 3.769 1.00 0.00 O ATOM 0 H SER A 57 -19.967 -12.883 5.417 1.00 0.00 H new ATOM 0 HA SER A 57 -20.946 -15.408 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.964 -12.686 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.987 -13.868 2.475 1.00 0.00 H new ATOM 0 HG SER A 57 -23.113 -13.341 3.221 1.00 0.00 H new ATOM 964 N PRO A 58 -19.198 -16.683 3.417 1.00 0.00 N ATOM 965 CA PRO A 58 -18.086 -17.385 2.778 1.00 0.00 C ATOM 966 C PRO A 58 -17.904 -16.954 1.320 1.00 0.00 C ATOM 967 O PRO A 58 -16.787 -16.756 0.839 1.00 0.00 O ATOM 968 CB PRO A 58 -18.395 -18.879 2.932 1.00 0.00 C ATOM 969 CG PRO A 58 -19.899 -18.934 3.211 1.00 0.00 C ATOM 970 CD PRO A 58 -20.162 -17.625 3.956 1.00 0.00 C ATOM 0 HA PRO A 58 -17.132 -17.144 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.139 -19.432 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.824 -19.320 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.478 -18.997 2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -20.166 -19.802 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.183 -17.279 3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.032 -17.750 5.031 1.00 0.00 H new ATOM 978 N SER A 59 -19.024 -16.770 0.627 1.00 0.00 N ATOM 979 CA SER A 59 -19.074 -16.245 -0.720 1.00 0.00 C ATOM 980 C SER A 59 -18.491 -14.832 -0.765 1.00 0.00 C ATOM 981 O SER A 59 -17.651 -14.521 -1.606 1.00 0.00 O ATOM 982 CB SER A 59 -20.545 -16.247 -1.151 1.00 0.00 C ATOM 983 OG SER A 59 -21.374 -15.956 -0.028 1.00 0.00 O ATOM 0 H SER A 59 -19.945 -16.991 1.005 1.00 0.00 H new ATOM 0 HA SER A 59 -18.479 -16.857 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.705 -15.507 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.810 -17.218 -1.569 1.00 0.00 H new ATOM 0 HG SER A 59 -22.314 -15.956 -0.306 1.00 0.00 H new ATOM 989 N GLN A 60 -18.945 -13.970 0.146 1.00 0.00 N ATOM 990 CA GLN A 60 -18.748 -12.532 0.090 1.00 0.00 C ATOM 991 C GLN A 60 -17.395 -12.145 0.681 1.00 0.00 C ATOM 992 O GLN A 60 -17.283 -11.191 1.446 1.00 0.00 O ATOM 993 CB GLN A 60 -19.923 -11.799 0.765 1.00 0.00 C ATOM 994 CG GLN A 60 -20.164 -10.412 0.146 1.00 0.00 C ATOM 995 CD GLN A 60 -20.726 -10.500 -1.272 1.00 0.00 C ATOM 996 OE1 GLN A 60 -19.979 -10.597 -2.237 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.046 -10.503 -1.415 1.00 0.00 N ATOM 0 H GLN A 60 -19.475 -14.268 0.965 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.734 -12.217 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.827 -12.400 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.720 -11.691 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -20.856 -9.851 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -19.227 -9.856 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -22.648 -10.421 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -22.458 -10.587 -2.344 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.345 -12.825 0.239 1.00 0.00 N ATOM 1007 CA ALA A 61 -14.971 -12.382 0.416 1.00 0.00 C ATOM 1008 C ALA A 61 -14.732 -11.018 -0.240 1.00 0.00 C ATOM 1009 O ALA A 61 -13.752 -10.360 0.075 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.033 -13.462 -0.121 1.00 0.00 C ATOM 0 H ALA A 61 -16.426 -13.711 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.765 -12.239 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.999 -13.142 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.195 -14.390 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.235 -13.626 -1.180 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.636 -10.558 -1.107 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.605 -9.202 -1.648 1.00 0.00 C ATOM 1018 C GLN A 62 -16.002 -8.198 -0.544 1.00 0.00 C ATOM 1019 O GLN A 62 -15.665 -7.017 -0.612 1.00 0.00 O ATOM 1020 CB GLN A 62 -16.521 -9.160 -2.887 1.00 0.00 C ATOM 1021 CG GLN A 62 -17.099 -7.803 -3.327 1.00 0.00 C ATOM 1022 CD GLN A 62 -18.091 -7.155 -2.364 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -18.844 -7.825 -1.667 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -18.063 -5.830 -2.280 1.00 0.00 N ATOM 0 H GLN A 62 -16.413 -11.120 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.605 -8.914 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.961 -9.570 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -17.358 -9.833 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -16.271 -7.112 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -17.592 -7.935 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.427 -5.295 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -18.677 -5.347 -1.624 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.781 -8.642 0.444 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.585 -7.783 1.300 1.00 0.00 C ATOM 1035 C GLY A 63 -16.780 -7.045 2.358 1.00 0.00 C ATOM 1036 O GLY A 63 -17.115 -5.916 2.716 1.00 0.00 O ATOM 0 H GLY A 63 -16.869 -9.632 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.107 -7.054 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.347 -8.387 1.792 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.735 -7.667 2.907 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.001 -7.109 4.039 1.00 0.00 C ATOM 1042 C LEU A 64 -14.057 -5.965 3.660 1.00 0.00 C ATOM 1043 O LEU A 64 -12.948 -5.911 4.181 1.00 0.00 O ATOM 1044 CB LEU A 64 -14.324 -8.198 4.891 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.209 -9.071 4.297 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.540 -9.911 5.385 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.616 -9.957 3.127 1.00 0.00 C ATOM 0 H LEU A 64 -15.377 -8.565 2.581 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.753 -6.644 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.913 -7.707 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.109 -8.870 5.237 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.502 -8.355 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.753 -10.521 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.107 -9.253 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.282 -10.559 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.753 -10.529 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.402 -10.641 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.984 -9.335 2.311 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.513 -5.029 2.817 1.00 0.00 N ATOM 1060 CA GLY A 65 -13.838 -3.835 2.314 1.00 0.00 C ATOM 1061 C GLY A 65 -12.697 -3.317 3.189 1.00 0.00 C ATOM 1062 O GLY A 65 -11.596 -3.041 2.715 1.00 0.00 O ATOM 0 H GLY A 65 -15.456 -5.100 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.444 -4.051 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.576 -3.041 2.199 1.00 0.00 H new ATOM 1066 N SER A 66 -12.968 -3.164 4.483 1.00 0.00 N ATOM 1067 CA SER A 66 -11.992 -2.677 5.436 1.00 0.00 C ATOM 1068 C SER A 66 -10.685 -3.479 5.383 1.00 0.00 C ATOM 1069 O SER A 66 -9.614 -2.881 5.267 1.00 0.00 O ATOM 1070 CB SER A 66 -12.626 -2.643 6.832 1.00 0.00 C ATOM 1071 OG SER A 66 -12.203 -1.484 7.521 1.00 0.00 O ATOM 0 H SER A 66 -13.876 -3.377 4.895 1.00 0.00 H new ATOM 0 HA SER A 66 -11.706 -1.659 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.713 -2.651 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.343 -3.534 7.392 1.00 0.00 H new ATOM 0 HG SER A 66 -12.612 -1.465 8.412 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.762 -4.806 5.472 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.597 -5.694 5.397 1.00 0.00 C ATOM 1079 C ASN A 67 -9.324 -6.102 3.952 1.00 0.00 C ATOM 1080 O ASN A 67 -8.190 -6.402 3.608 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.789 -6.930 6.284 1.00 0.00 C ATOM 1082 CG ASN A 67 -9.537 -6.598 7.754 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -8.496 -6.884 8.338 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -10.501 -5.935 8.383 1.00 0.00 N ATOM 0 H ASN A 67 -11.644 -5.303 5.600 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.731 -5.147 5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.802 -7.314 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.109 -7.720 5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.379 -5.660 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.363 -5.701 7.891 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.360 -6.094 3.114 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.306 -6.470 1.711 1.00 0.00 C ATOM 1093 C LEU A 68 -9.026 -6.064 0.980 1.00 0.00 C ATOM 1094 O LEU A 68 -8.626 -4.888 0.962 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.493 -5.861 0.965 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.697 -6.504 -0.408 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.459 -7.813 -0.230 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.411 -5.557 -1.372 1.00 0.00 C ATOM 0 H LEU A 68 -11.295 -5.813 3.411 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.334 -7.560 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.397 -5.984 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.334 -4.789 0.844 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.726 -6.716 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.611 -8.281 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.886 -8.484 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.426 -7.611 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.538 -6.048 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.388 -5.294 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.816 -4.653 -1.501 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.473 -7.048 0.283 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.411 -6.919 -0.678 1.00 0.00 C ATOM 1112 C VAL A 69 -8.017 -6.721 -2.076 1.00 0.00 C ATOM 1113 O VAL A 69 -9.038 -7.301 -2.429 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.493 -8.143 -0.586 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.208 -7.897 -1.378 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.118 -8.394 0.880 1.00 0.00 C ATOM 0 H VAL A 69 -8.781 -8.015 0.388 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.796 -6.044 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.019 -9.005 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.563 -8.773 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.455 -7.713 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.689 -7.030 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.465 -9.265 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.600 -7.521 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.022 -8.575 1.461 1.00 0.00 H new ATOM 1126 N THR A 70 -7.396 -5.857 -2.868 1.00 0.00 N ATOM 1127 CA THR A 70 -7.622 -5.619 -4.286 1.00 0.00 C ATOM 1128 C THR A 70 -6.219 -5.460 -4.900 1.00 0.00 C ATOM 1129 O THR A 70 -5.277 -5.234 -4.136 1.00 0.00 O ATOM 1130 CB THR A 70 -8.523 -4.379 -4.433 1.00 0.00 C ATOM 1131 OG1 THR A 70 -8.072 -3.315 -3.615 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.943 -4.687 -3.953 1.00 0.00 C ATOM 0 H THR A 70 -6.659 -5.254 -2.503 1.00 0.00 H new ATOM 0 HA THR A 70 -8.142 -6.424 -4.805 1.00 0.00 H new ATOM 0 HB THR A 70 -8.497 -4.106 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.662 -2.541 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.565 -3.799 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.360 -5.499 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.916 -4.982 -2.904 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.020 -5.614 -6.216 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.662 -5.736 -6.761 1.00 0.00 C ATOM 1142 C GLU A 71 -3.791 -4.526 -6.409 1.00 0.00 C ATOM 1143 O GLU A 71 -2.622 -4.662 -6.067 1.00 0.00 O ATOM 1144 CB GLU A 71 -4.661 -6.135 -8.239 1.00 0.00 C ATOM 1145 CG GLU A 71 -4.690 -4.962 -9.213 1.00 0.00 C ATOM 1146 CD GLU A 71 -3.291 -4.520 -9.613 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -2.668 -5.210 -10.453 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -2.841 -3.495 -9.069 1.00 0.00 O ATOM 0 H GLU A 71 -6.766 -5.656 -6.911 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.175 -6.574 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.773 -6.735 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.525 -6.771 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.250 -5.245 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.218 -4.125 -8.757 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.396 -3.344 -6.381 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.746 -2.109 -5.968 1.00 0.00 C ATOM 1157 C VAL A 72 -3.060 -2.247 -4.596 1.00 0.00 C ATOM 1158 O VAL A 72 -2.002 -1.658 -4.359 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.791 -0.978 -6.017 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.885 -1.138 -4.958 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -4.153 0.392 -5.826 1.00 0.00 C ATOM 0 H VAL A 72 -5.371 -3.216 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.935 -1.866 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.238 -1.049 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.593 -0.313 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.407 -2.082 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.434 -1.133 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.924 1.161 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.655 0.429 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.423 0.567 -6.617 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.660 -3.009 -3.678 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.095 -3.309 -2.373 1.00 0.00 C ATOM 1173 C ARG A 73 -1.867 -4.200 -2.567 1.00 0.00 C ATOM 1174 O ARG A 73 -0.810 -3.940 -1.996 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.112 -4.051 -1.504 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.524 -3.465 -1.523 1.00 0.00 C ATOM 1177 CD ARG A 73 -5.795 -2.280 -0.602 1.00 0.00 C ATOM 1178 NE ARG A 73 -7.036 -2.547 0.147 1.00 0.00 N ATOM 1179 CZ ARG A 73 -7.754 -1.658 0.840 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -7.418 -0.366 0.789 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -8.773 -2.096 1.581 1.00 0.00 N ATOM 0 H ARG A 73 -4.571 -3.441 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.823 -2.376 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.161 -5.089 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.752 -4.059 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.750 -3.159 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.224 -4.260 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.961 -2.135 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.892 -1.363 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.382 -3.507 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.622 -0.068 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.958 0.322 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.991 -3.092 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.334 -1.435 2.118 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.006 -5.246 -3.385 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.930 -6.187 -3.662 1.00 0.00 C ATOM 1197 C VAL A 74 0.281 -5.375 -4.131 1.00 0.00 C ATOM 1198 O VAL A 74 1.378 -5.466 -3.579 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.390 -7.244 -4.686 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.238 -8.176 -5.048 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.544 -8.084 -4.124 1.00 0.00 C ATOM 0 H VAL A 74 -2.875 -5.461 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.648 -6.748 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.728 -6.713 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.582 -8.915 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.577 -7.596 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.115 -8.684 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.851 -8.822 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.216 -8.594 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.387 -7.434 -3.889 1.00 0.00 H new ATOM 1211 N TYR A 75 0.033 -4.499 -5.096 1.00 0.00 N ATOM 1212 CA TYR A 75 0.966 -3.496 -5.561 1.00 0.00 C ATOM 1213 C TYR A 75 1.574 -2.729 -4.374 1.00 0.00 C ATOM 1214 O TYR A 75 2.794 -2.687 -4.250 1.00 0.00 O ATOM 1215 CB TYR A 75 0.215 -2.585 -6.540 1.00 0.00 C ATOM 1216 CG TYR A 75 1.011 -1.987 -7.676 1.00 0.00 C ATOM 1217 CD1 TYR A 75 2.276 -1.407 -7.465 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.402 -1.891 -8.938 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.943 -0.785 -8.532 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.016 -1.162 -9.962 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.295 -0.627 -9.769 1.00 0.00 C ATOM 1222 OH TYR A 75 2.930 0.023 -10.787 1.00 0.00 O ATOM 0 H TYR A 75 -0.858 -4.471 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 75 1.810 -3.951 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.609 -3.156 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.226 -1.768 -5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.731 -1.440 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.543 -2.381 -9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.954 -0.428 -8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.504 -1.012 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 75 2.347 0.046 -11.574 1.00 0.00 H new ATOM 1232 N ASN A 76 0.755 -2.131 -3.494 1.00 0.00 N ATOM 1233 CA ASN A 76 1.248 -1.344 -2.354 1.00 0.00 C ATOM 1234 C ASN A 76 2.309 -2.117 -1.574 1.00 0.00 C ATOM 1235 O ASN A 76 3.393 -1.593 -1.312 1.00 0.00 O ATOM 1236 CB ASN A 76 0.152 -0.941 -1.340 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.704 0.272 -1.680 1.00 0.00 C ATOM 1238 OD1 ASN A 76 -1.342 0.842 -0.797 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.775 0.680 -2.935 1.00 0.00 N ATOM 0 H ASN A 76 -0.262 -2.179 -3.553 1.00 0.00 H new ATOM 0 HA ASN A 76 1.653 -0.439 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.512 -1.795 -1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.633 -0.756 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.364 1.476 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.241 0.199 -3.659 1.00 0.00 H new ATOM 1246 N TRP A 77 1.991 -3.328 -1.110 1.00 0.00 N ATOM 1247 CA TRP A 77 2.926 -4.028 -0.239 1.00 0.00 C ATOM 1248 C TRP A 77 4.149 -4.498 -1.035 1.00 0.00 C ATOM 1249 O TRP A 77 5.272 -4.216 -0.619 1.00 0.00 O ATOM 1250 CB TRP A 77 2.257 -5.120 0.603 1.00 0.00 C ATOM 1251 CG TRP A 77 2.386 -6.499 0.064 1.00 0.00 C ATOM 1252 CD1 TRP A 77 1.631 -6.999 -0.927 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.335 -7.549 0.414 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.086 -8.247 -1.271 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.121 -8.653 -0.461 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.328 -7.702 1.405 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 3.849 -9.845 -0.363 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.977 -8.936 1.583 1.00 0.00 C ATOM 1259 CH2 TRP A 77 4.767 -9.995 0.687 1.00 0.00 C ATOM 0 H TRP A 77 1.125 -3.826 -1.315 1.00 0.00 H new ATOM 0 HA TRP A 77 3.294 -3.322 0.505 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.684 -5.097 1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.198 -4.883 0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 77 0.792 -6.495 -1.384 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.703 -8.805 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.592 -6.863 2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.706 -10.636 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.646 -9.071 2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.310 -10.921 0.805 1.00 0.00 H new ATOM 1270 N PHE A 78 3.961 -5.161 -2.183 1.00 0.00 N ATOM 1271 CA PHE A 78 5.095 -5.620 -2.981 1.00 0.00 C ATOM 1272 C PHE A 78 5.997 -4.439 -3.345 1.00 0.00 C ATOM 1273 O PHE A 78 7.208 -4.588 -3.372 1.00 0.00 O ATOM 1274 CB PHE A 78 4.671 -6.390 -4.242 1.00 0.00 C ATOM 1275 CG PHE A 78 4.407 -7.879 -4.060 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.482 -8.789 -4.089 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.094 -8.373 -4.106 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.234 -10.175 -4.118 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.850 -9.758 -4.074 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.921 -10.662 -4.038 1.00 0.00 C ATOM 0 H PHE A 78 3.046 -5.387 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 78 5.652 -6.325 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.768 -5.927 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.449 -6.269 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.498 -8.423 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.264 -7.684 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.059 -10.867 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.835 -10.126 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.737 -11.723 -3.950 1.00 0.00 H new ATOM 1290 N ALA A 79 5.449 -3.246 -3.585 1.00 0.00 N ATOM 1291 CA ALA A 79 6.254 -2.061 -3.861 1.00 0.00 C ATOM 1292 C ALA A 79 7.286 -1.803 -2.756 1.00 0.00 C ATOM 1293 O ALA A 79 8.378 -1.301 -3.030 1.00 0.00 O ATOM 1294 CB ALA A 79 5.357 -0.841 -4.080 1.00 0.00 C ATOM 0 H ALA A 79 4.443 -3.078 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 79 6.811 -2.245 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.975 0.033 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.695 -1.023 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.761 -0.662 -3.185 1.00 0.00 H new ATOM 1300 N ASN A 80 6.964 -2.134 -1.506 1.00 0.00 N ATOM 1301 CA ASN A 80 7.940 -2.175 -0.421 1.00 0.00 C ATOM 1302 C ASN A 80 8.790 -3.437 -0.565 1.00 0.00 C ATOM 1303 O ASN A 80 10.019 -3.361 -0.664 1.00 0.00 O ATOM 1304 CB ASN A 80 7.215 -2.088 0.930 1.00 0.00 C ATOM 1305 CG ASN A 80 8.170 -1.982 2.117 1.00 0.00 C ATOM 1306 OD1 ASN A 80 9.271 -2.520 2.106 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.770 -1.268 3.162 1.00 0.00 N ATOM 0 H ASN A 80 6.017 -2.381 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 80 8.614 -1.320 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.553 -1.222 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.586 -2.969 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.382 -1.161 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.851 -0.826 3.156 1.00 0.00 H new ATOM 1314 N ARG A 81 8.120 -4.587 -0.644 1.00 0.00 N ATOM 1315 CA ARG A 81 8.690 -5.925 -0.759 1.00 0.00 C ATOM 1316 C ARG A 81 9.239 -6.199 -2.170 1.00 0.00 C ATOM 1317 O ARG A 81 8.881 -7.166 -2.831 1.00 0.00 O ATOM 1318 CB ARG A 81 7.633 -6.958 -0.302 1.00 0.00 C ATOM 1319 CG ARG A 81 8.207 -7.847 0.800 1.00 0.00 C ATOM 1320 CD ARG A 81 8.252 -7.097 2.141 1.00 0.00 C ATOM 1321 NE ARG A 81 9.423 -7.476 2.947 1.00 0.00 N ATOM 1322 CZ ARG A 81 9.413 -8.058 4.153 1.00 0.00 C ATOM 1323 NH1 ARG A 81 8.329 -8.676 4.606 1.00 0.00 N ATOM 1324 NH2 ARG A 81 10.501 -7.986 4.910 1.00 0.00 N ATOM 0 H ARG A 81 7.100 -4.608 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 81 9.556 -6.011 -0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.744 -6.443 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.322 -7.570 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.599 -8.746 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.211 -8.171 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.272 -6.023 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.342 -7.306 2.704 1.00 0.00 H new ATOM 0 HE ARG A 81 10.338 -7.274 2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.486 -8.713 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.339 -9.114 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.327 -7.493 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.511 -8.424 5.831 1.00 0.00 H new ATOM 1338 N ARG A 82 10.141 -5.333 -2.617 1.00 0.00 N ATOM 1339 CA ARG A 82 10.912 -5.467 -3.845 1.00 0.00 C ATOM 1340 C ARG A 82 12.127 -4.557 -3.738 1.00 0.00 C ATOM 1341 O ARG A 82 13.244 -4.950 -4.064 1.00 0.00 O ATOM 1342 CB ARG A 82 10.067 -5.173 -5.098 1.00 0.00 C ATOM 1343 CG ARG A 82 9.368 -3.804 -5.105 1.00 0.00 C ATOM 1344 CD ARG A 82 10.073 -2.724 -5.933 1.00 0.00 C ATOM 1345 NE ARG A 82 9.659 -1.377 -5.497 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.996 -0.227 -6.100 1.00 0.00 C ATOM 1347 NH1 ARG A 82 10.617 -0.249 -7.277 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.745 0.938 -5.508 1.00 0.00 N ATOM 0 H ARG A 82 10.364 -4.478 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 82 11.240 -6.500 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.710 -5.240 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.310 -5.951 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.355 -3.931 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.279 -3.453 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.153 -2.828 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.838 -2.858 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 82 9.067 -1.315 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.837 -1.141 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.873 0.626 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.295 0.959 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.003 1.810 -5.969 1.00 0.00 H new