USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 109:sc= 1.44 USER MOD Set 1.2: A 46 CYS SG : rot -102:sc= -0.468 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.68 K(o=3,f=-2.8!) USER MOD Set 2.2: A 35 SER OG : rot -64:sc= 1.31 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.0599 (180deg=-0.864) USER MOD Single : A 21 GLN : amide:sc= -2.46 K(o=-2.5,f=-0.72) USER MOD Single : A 22 GLN : amide:sc= -0.991 X(o=-0.99,f=-0.56) USER MOD Single : A 26 GLN : amide:sc= 1.08 K(o=1.1,f=-0.42) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -97:sc= 0.979 (180deg=-1.49!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.878 K(o=0.88,f=-4.6!) USER MOD Single : A 51 CYS SG : rot 74:sc= -0.261 USER MOD Single : A 53 GLN : amide:sc= -0.677 K(o=-0.68,f=-5.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.64) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.176 K(o=0.18,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00613 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.105 K(o=0.11,f=-3!) USER MOD Single : A 80 ASN : amide:sc= 0.625 K(o=0.62,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -4.859 -1.346 6.465 1.00 0.00 N ATOM 271 CA LYS A 15 -3.686 -1.992 7.046 1.00 0.00 C ATOM 272 C LYS A 15 -3.532 -3.367 6.385 1.00 0.00 C ATOM 273 O LYS A 15 -4.289 -3.678 5.473 1.00 0.00 O ATOM 274 CB LYS A 15 -3.878 -2.140 8.567 1.00 0.00 C ATOM 275 CG LYS A 15 -4.986 -3.145 8.948 1.00 0.00 C ATOM 276 CD LYS A 15 -6.097 -2.566 9.826 1.00 0.00 C ATOM 277 CE LYS A 15 -7.039 -1.609 9.079 1.00 0.00 C ATOM 278 NZ LYS A 15 -6.537 -0.220 9.046 1.00 0.00 N ATOM 0 HA LYS A 15 -2.790 -1.396 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.937 -2.460 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.119 -1.166 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.431 -3.539 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.531 -3.987 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.682 -3.385 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.646 -2.036 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.176 -1.965 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.019 -1.625 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.336 0.435 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.040 -0.009 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.880 -0.107 8.247 1.00 0.00 H new ATOM 292 N TRP A 16 -2.657 -4.224 6.911 1.00 0.00 N ATOM 293 CA TRP A 16 -2.732 -5.662 6.678 1.00 0.00 C ATOM 294 C TRP A 16 -3.017 -6.338 8.018 1.00 0.00 C ATOM 295 O TRP A 16 -2.394 -5.977 9.022 1.00 0.00 O ATOM 296 CB TRP A 16 -1.427 -6.185 6.087 1.00 0.00 C ATOM 297 CG TRP A 16 -1.130 -5.772 4.678 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.448 -4.663 4.318 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.494 -6.439 3.430 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.358 -4.600 2.944 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.009 -5.654 2.342 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.173 -7.632 3.100 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.232 -6.002 1.003 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.310 -8.041 1.761 1.00 0.00 C ATOM 305 CH2 TRP A 16 -1.904 -7.198 0.713 1.00 0.00 C ATOM 0 H TRP A 16 -1.880 -3.940 7.508 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.525 -5.883 5.963 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.606 -5.854 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.443 -7.274 6.129 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.036 -3.936 5.003 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.131 -3.863 2.435 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.594 -8.240 3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.891 -5.358 0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.730 -9.010 1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.109 -7.470 -0.312 1.00 0.00 H new ATOM 316 N GLY A 17 -3.952 -7.284 8.041 1.00 0.00 N ATOM 317 CA GLY A 17 -4.377 -8.038 9.210 1.00 0.00 C ATOM 318 C GLY A 17 -3.785 -9.451 9.189 1.00 0.00 C ATOM 319 O GLY A 17 -2.753 -9.678 8.549 1.00 0.00 O ATOM 0 H GLY A 17 -4.458 -7.557 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.063 -7.520 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.465 -8.095 9.236 1.00 0.00 H new ATOM 323 N PRO A 18 -4.376 -10.401 9.926 1.00 0.00 N ATOM 324 CA PRO A 18 -3.887 -11.767 10.023 1.00 0.00 C ATOM 325 C PRO A 18 -4.375 -12.589 8.829 1.00 0.00 C ATOM 326 O PRO A 18 -5.250 -12.152 8.091 1.00 0.00 O ATOM 327 CB PRO A 18 -4.474 -12.289 11.336 1.00 0.00 C ATOM 328 CG PRO A 18 -5.823 -11.572 11.415 1.00 0.00 C ATOM 329 CD PRO A 18 -5.547 -10.213 10.766 1.00 0.00 C ATOM 0 HA PRO A 18 -2.799 -11.831 10.012 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.592 -13.372 11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.838 -12.048 12.187 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.600 -12.120 10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.159 -11.463 12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.401 -9.882 10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.366 -9.449 11.522 1.00 0.00 H new ATOM 337 N ALA A 19 -3.777 -13.767 8.644 1.00 0.00 N ATOM 338 CA ALA A 19 -3.990 -14.808 7.650 1.00 0.00 C ATOM 339 C ALA A 19 -3.451 -14.344 6.308 1.00 0.00 C ATOM 340 O ALA A 19 -2.537 -14.915 5.727 1.00 0.00 O ATOM 341 CB ALA A 19 -5.446 -15.245 7.621 1.00 0.00 C ATOM 0 H ALA A 19 -3.029 -14.045 9.280 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.432 -15.705 7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.577 -16.024 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.729 -15.634 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.077 -14.392 7.373 1.00 0.00 H new ATOM 347 N SER A 20 -3.956 -13.191 5.917 1.00 0.00 N ATOM 348 CA SER A 20 -3.550 -12.331 4.829 1.00 0.00 C ATOM 349 C SER A 20 -2.022 -12.380 4.617 1.00 0.00 C ATOM 350 O SER A 20 -1.527 -12.487 3.497 1.00 0.00 O ATOM 351 CB SER A 20 -4.055 -10.928 5.226 1.00 0.00 C ATOM 352 OG SER A 20 -4.505 -10.151 4.133 1.00 0.00 O ATOM 0 H SER A 20 -4.752 -12.791 6.413 1.00 0.00 H new ATOM 0 HA SER A 20 -3.969 -12.641 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.869 -11.035 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.252 -10.393 5.733 1.00 0.00 H new ATOM 0 HG SER A 20 -5.481 -10.072 4.167 1.00 0.00 H new ATOM 358 N GLN A 21 -1.240 -12.301 5.699 1.00 0.00 N ATOM 359 CA GLN A 21 0.218 -12.279 5.601 1.00 0.00 C ATOM 360 C GLN A 21 0.811 -13.604 5.131 1.00 0.00 C ATOM 361 O GLN A 21 1.807 -13.596 4.413 1.00 0.00 O ATOM 362 CB GLN A 21 0.854 -11.825 6.918 1.00 0.00 C ATOM 363 CG GLN A 21 0.401 -10.434 7.367 1.00 0.00 C ATOM 364 CD GLN A 21 0.493 -9.364 6.280 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.401 -8.540 6.274 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.445 -9.340 5.345 1.00 0.00 N ATOM 0 H GLN A 21 -1.596 -12.251 6.653 1.00 0.00 H new ATOM 0 HA GLN A 21 0.459 -11.548 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.611 -12.547 7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.938 -11.827 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.630 -10.495 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.007 -10.124 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.196 -10.030 5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.416 -8.632 4.612 1.00 0.00 H new ATOM 375 N GLN A 22 0.221 -14.734 5.506 1.00 0.00 N ATOM 376 CA GLN A 22 0.685 -16.018 5.008 1.00 0.00 C ATOM 377 C GLN A 22 0.571 -16.040 3.500 1.00 0.00 C ATOM 378 O GLN A 22 1.418 -16.611 2.811 1.00 0.00 O ATOM 379 CB GLN A 22 -0.159 -17.158 5.572 1.00 0.00 C ATOM 380 CG GLN A 22 0.330 -17.544 6.952 1.00 0.00 C ATOM 381 CD GLN A 22 0.177 -16.423 7.971 1.00 0.00 C ATOM 382 OE1 GLN A 22 1.132 -15.716 8.289 1.00 0.00 O ATOM 383 NE2 GLN A 22 -1.017 -16.236 8.504 1.00 0.00 N ATOM 0 H GLN A 22 -0.571 -14.785 6.147 1.00 0.00 H new ATOM 0 HA GLN A 22 1.721 -16.152 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.205 -16.855 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.108 -18.020 4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.222 -18.418 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.379 -17.833 6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.798 -16.832 8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.158 -15.496 9.191 1.00 0.00 H new ATOM 392 N ILE A 23 -0.507 -15.449 2.995 1.00 0.00 N ATOM 393 CA ILE A 23 -0.733 -15.445 1.576 1.00 0.00 C ATOM 394 C ILE A 23 0.290 -14.497 0.946 1.00 0.00 C ATOM 395 O ILE A 23 0.942 -14.873 -0.023 1.00 0.00 O ATOM 396 CB ILE A 23 -2.184 -15.070 1.237 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.177 -16.200 1.543 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.329 -14.761 -0.256 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.331 -16.533 3.017 1.00 0.00 C ATOM 0 H ILE A 23 -1.222 -14.976 3.548 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.595 -16.444 1.163 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.410 -14.202 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.153 -15.925 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.858 -17.098 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.364 -14.498 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.679 -13.927 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.047 -15.638 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.052 -17.342 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.368 -16.844 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.683 -15.652 3.554 1.00 0.00 H new ATOM 411 N LEU A 24 0.453 -13.280 1.487 1.00 0.00 N ATOM 412 CA LEU A 24 1.473 -12.352 0.994 1.00 0.00 C ATOM 413 C LEU A 24 2.795 -13.086 0.818 1.00 0.00 C ATOM 414 O LEU A 24 3.389 -13.102 -0.259 1.00 0.00 O ATOM 415 CB LEU A 24 1.740 -11.192 1.974 1.00 0.00 C ATOM 416 CG LEU A 24 0.739 -10.036 1.999 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.385 -8.858 2.736 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.423 -9.583 0.581 1.00 0.00 C ATOM 0 H LEU A 24 -0.106 -12.920 2.261 1.00 0.00 H new ATOM 0 HA LEU A 24 1.094 -11.953 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.796 -11.609 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.723 -10.779 1.745 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.177 -10.363 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.688 -8.021 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.635 -9.158 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.293 -8.556 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.291 -8.760 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.339 -9.251 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.006 -10.414 0.021 1.00 0.00 H new ATOM 430 N PHE A 25 3.237 -13.677 1.922 1.00 0.00 N ATOM 431 CA PHE A 25 4.458 -14.431 2.007 1.00 0.00 C ATOM 432 C PHE A 25 4.500 -15.432 0.865 1.00 0.00 C ATOM 433 O PHE A 25 5.391 -15.338 0.036 1.00 0.00 O ATOM 434 CB PHE A 25 4.578 -15.079 3.394 1.00 0.00 C ATOM 435 CG PHE A 25 5.125 -14.171 4.490 1.00 0.00 C ATOM 436 CD1 PHE A 25 4.908 -12.776 4.474 1.00 0.00 C ATOM 437 CD2 PHE A 25 6.049 -14.709 5.402 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.746 -11.924 5.213 1.00 0.00 C ATOM 439 CE2 PHE A 25 6.871 -13.860 6.158 1.00 0.00 C ATOM 440 CZ PHE A 25 6.761 -12.470 6.017 1.00 0.00 C ATOM 0 H PHE A 25 2.730 -13.636 2.806 1.00 0.00 H new ATOM 0 HA PHE A 25 5.326 -13.781 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.594 -15.435 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.223 -15.954 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.097 -12.363 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.127 -15.780 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.611 -10.854 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.589 -14.278 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.456 -11.819 6.526 1.00 0.00 H new ATOM 450 N GLN A 26 3.535 -16.346 0.775 1.00 0.00 N ATOM 451 CA GLN A 26 3.597 -17.400 -0.232 1.00 0.00 C ATOM 452 C GLN A 26 3.633 -16.825 -1.659 1.00 0.00 C ATOM 453 O GLN A 26 4.286 -17.370 -2.548 1.00 0.00 O ATOM 454 CB GLN A 26 2.448 -18.411 -0.007 1.00 0.00 C ATOM 455 CG GLN A 26 1.192 -18.151 -0.857 1.00 0.00 C ATOM 456 CD GLN A 26 -0.029 -18.952 -0.408 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.098 -19.945 0.301 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.221 -18.502 -0.784 1.00 0.00 N ATOM 0 H GLN A 26 2.713 -16.378 1.378 1.00 0.00 H new ATOM 0 HA GLN A 26 4.535 -17.944 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.816 -19.414 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.168 -18.395 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.952 -17.088 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.411 -18.392 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.290 -17.673 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.067 -18.986 -0.483 1.00 0.00 H new ATOM 467 N ALA A 27 2.904 -15.734 -1.905 1.00 0.00 N ATOM 468 CA ALA A 27 2.812 -15.131 -3.220 1.00 0.00 C ATOM 469 C ALA A 27 4.193 -14.625 -3.622 1.00 0.00 C ATOM 470 O ALA A 27 4.725 -14.994 -4.669 1.00 0.00 O ATOM 471 CB ALA A 27 1.769 -14.016 -3.173 1.00 0.00 C ATOM 0 H ALA A 27 2.362 -15.249 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 27 2.492 -15.852 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.688 -13.552 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.803 -14.433 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.071 -13.266 -2.442 1.00 0.00 H new ATOM 477 N TYR A 28 4.796 -13.826 -2.741 1.00 0.00 N ATOM 478 CA TYR A 28 6.160 -13.354 -2.896 1.00 0.00 C ATOM 479 C TYR A 28 7.100 -14.534 -3.105 1.00 0.00 C ATOM 480 O TYR A 28 7.896 -14.552 -4.039 1.00 0.00 O ATOM 481 CB TYR A 28 6.560 -12.566 -1.639 1.00 0.00 C ATOM 482 CG TYR A 28 7.846 -11.770 -1.727 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.005 -10.801 -2.738 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.871 -11.953 -0.777 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.162 -10.009 -2.786 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.043 -11.174 -0.844 1.00 0.00 C ATOM 487 CZ TYR A 28 10.182 -10.197 -1.844 1.00 0.00 C ATOM 488 OH TYR A 28 11.315 -9.452 -1.965 1.00 0.00 O ATOM 0 H TYR A 28 4.341 -13.488 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 28 6.229 -12.704 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.749 -11.880 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.648 -13.267 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.232 -10.667 -3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.758 -12.691 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.267 -9.253 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.835 -11.328 -0.126 1.00 0.00 H new ATOM 0 HH TYR A 28 11.938 -9.684 -1.245 1.00 0.00 H new ATOM 498 N GLU A 29 7.036 -15.500 -2.197 1.00 0.00 N ATOM 499 CA GLU A 29 7.996 -16.576 -2.097 1.00 0.00 C ATOM 500 C GLU A 29 8.016 -17.382 -3.395 1.00 0.00 C ATOM 501 O GLU A 29 9.086 -17.727 -3.893 1.00 0.00 O ATOM 502 CB GLU A 29 7.772 -17.334 -0.781 1.00 0.00 C ATOM 503 CG GLU A 29 7.046 -18.676 -0.730 1.00 0.00 C ATOM 504 CD GLU A 29 6.796 -19.045 0.727 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.484 -18.467 1.609 1.00 0.00 O ATOM 506 OE2 GLU A 29 5.919 -19.888 0.993 1.00 0.00 O ATOM 0 H GLU A 29 6.296 -15.552 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 29 9.023 -16.219 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.756 -17.493 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.230 -16.659 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.102 -18.615 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.643 -19.447 -1.217 1.00 0.00 H new ATOM 513 N ARG A 30 6.840 -17.571 -3.993 1.00 0.00 N ATOM 514 CA ARG A 30 6.695 -18.238 -5.271 1.00 0.00 C ATOM 515 C ARG A 30 7.179 -17.323 -6.399 1.00 0.00 C ATOM 516 O ARG A 30 8.055 -17.706 -7.171 1.00 0.00 O ATOM 517 CB ARG A 30 5.219 -18.624 -5.447 1.00 0.00 C ATOM 518 CG ARG A 30 4.951 -19.360 -6.767 1.00 0.00 C ATOM 519 CD ARG A 30 3.504 -19.863 -6.812 1.00 0.00 C ATOM 520 NE ARG A 30 2.527 -18.771 -6.646 1.00 0.00 N ATOM 521 CZ ARG A 30 1.894 -18.125 -7.640 1.00 0.00 C ATOM 522 NH1 ARG A 30 2.296 -18.280 -8.902 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.860 -17.338 -7.361 1.00 0.00 N ATOM 0 H ARG A 30 5.955 -17.259 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 30 7.305 -19.141 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.912 -19.257 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.605 -17.724 -5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.137 -18.692 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.638 -20.200 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.326 -20.366 -7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.355 -20.604 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 30 2.313 -18.480 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.085 -18.890 -9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.814 -17.789 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.550 -17.226 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.377 -16.846 -8.112 1.00 0.00 H new ATOM 537 N GLN A 31 6.580 -16.140 -6.551 1.00 0.00 N ATOM 538 CA GLN A 31 6.803 -15.272 -7.697 1.00 0.00 C ATOM 539 C GLN A 31 7.097 -13.850 -7.208 1.00 0.00 C ATOM 540 O GLN A 31 6.291 -12.939 -7.368 1.00 0.00 O ATOM 541 CB GLN A 31 5.579 -15.355 -8.625 1.00 0.00 C ATOM 542 CG GLN A 31 5.794 -14.655 -9.974 1.00 0.00 C ATOM 543 CD GLN A 31 4.473 -14.344 -10.670 1.00 0.00 C ATOM 544 OE1 GLN A 31 4.110 -13.184 -10.820 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.740 -15.349 -11.128 1.00 0.00 N ATOM 0 H GLN A 31 5.921 -15.759 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 31 7.671 -15.590 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.335 -16.403 -8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.720 -14.908 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.349 -13.730 -9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.404 -15.288 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.054 -16.311 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.862 -15.161 -11.612 1.00 0.00 H new ATOM 554 N LYS A 32 8.316 -13.603 -6.724 1.00 0.00 N ATOM 555 CA LYS A 32 8.730 -12.300 -6.205 1.00 0.00 C ATOM 556 C LYS A 32 8.995 -11.281 -7.330 1.00 0.00 C ATOM 557 O LYS A 32 9.771 -10.341 -7.160 1.00 0.00 O ATOM 558 CB LYS A 32 9.916 -12.434 -5.220 1.00 0.00 C ATOM 559 CG LYS A 32 11.065 -13.370 -5.644 1.00 0.00 C ATOM 560 CD LYS A 32 11.008 -14.797 -5.054 1.00 0.00 C ATOM 561 CE LYS A 32 11.056 -14.899 -3.517 1.00 0.00 C ATOM 562 NZ LYS A 32 12.241 -14.284 -2.889 1.00 0.00 N ATOM 0 H LYS A 32 9.050 -14.310 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 32 7.894 -11.897 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.331 -11.441 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.527 -12.784 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.068 -13.444 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.010 -12.912 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.092 -15.275 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.841 -15.370 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.162 -14.429 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.019 -15.952 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.187 -14.401 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.102 -14.746 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.271 -13.271 -3.121 1.00 0.00 H new ATOM 576 N ASN A 33 8.345 -11.430 -8.482 1.00 0.00 N ATOM 577 CA ASN A 33 8.239 -10.434 -9.535 1.00 0.00 C ATOM 578 C ASN A 33 6.772 -10.444 -9.962 1.00 0.00 C ATOM 579 O ASN A 33 6.427 -11.217 -10.851 1.00 0.00 O ATOM 580 CB ASN A 33 9.160 -10.790 -10.706 1.00 0.00 C ATOM 581 CG ASN A 33 10.583 -10.313 -10.448 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.901 -9.137 -10.634 1.00 0.00 O ATOM 583 ND2 ASN A 33 11.460 -11.204 -10.006 1.00 0.00 N ATOM 0 H ASN A 33 7.855 -12.294 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 33 8.545 -9.445 -9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.157 -11.869 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.781 -10.336 -11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.421 -10.921 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.174 -12.172 -9.859 1.00 0.00 H new ATOM 590 N PRO A 34 5.913 -9.654 -9.304 1.00 0.00 N ATOM 591 CA PRO A 34 4.473 -9.862 -9.316 1.00 0.00 C ATOM 592 C PRO A 34 3.885 -9.485 -10.676 1.00 0.00 C ATOM 593 O PRO A 34 3.721 -8.297 -10.977 1.00 0.00 O ATOM 594 CB PRO A 34 3.950 -8.989 -8.169 1.00 0.00 C ATOM 595 CG PRO A 34 4.972 -7.862 -8.066 1.00 0.00 C ATOM 596 CD PRO A 34 6.272 -8.599 -8.369 1.00 0.00 C ATOM 0 HA PRO A 34 4.186 -10.904 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.953 -8.605 -8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.882 -9.552 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.776 -7.065 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.981 -7.406 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.012 -7.926 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.710 -9.012 -7.460 1.00 0.00 H new ATOM 604 N SER A 35 3.588 -10.476 -11.517 1.00 0.00 N ATOM 605 CA SER A 35 3.163 -10.262 -12.890 1.00 0.00 C ATOM 606 C SER A 35 1.655 -10.026 -12.948 1.00 0.00 C ATOM 607 O SER A 35 1.207 -8.886 -13.039 1.00 0.00 O ATOM 608 CB SER A 35 3.616 -11.432 -13.777 1.00 0.00 C ATOM 609 OG SER A 35 3.089 -12.669 -13.336 1.00 0.00 O ATOM 0 H SER A 35 3.638 -11.461 -11.255 1.00 0.00 H new ATOM 0 HA SER A 35 3.639 -9.364 -13.283 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.302 -11.250 -14.805 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.705 -11.483 -13.781 1.00 0.00 H new ATOM 0 HG SER A 35 3.439 -12.874 -12.444 1.00 0.00 H new ATOM 615 N LYS A 36 0.878 -11.107 -12.934 1.00 0.00 N ATOM 616 CA LYS A 36 -0.554 -11.084 -13.176 1.00 0.00 C ATOM 617 C LYS A 36 -1.232 -12.140 -12.319 1.00 0.00 C ATOM 618 O LYS A 36 -1.809 -11.797 -11.291 1.00 0.00 O ATOM 619 CB LYS A 36 -0.797 -11.276 -14.686 1.00 0.00 C ATOM 620 CG LYS A 36 -2.270 -11.398 -15.129 1.00 0.00 C ATOM 621 CD LYS A 36 -3.289 -10.573 -14.330 1.00 0.00 C ATOM 622 CE LYS A 36 -2.941 -9.075 -14.257 1.00 0.00 C ATOM 623 NZ LYS A 36 -3.381 -8.490 -12.974 1.00 0.00 N ATOM 0 H LYS A 36 1.240 -12.043 -12.749 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.992 -10.127 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.349 -10.435 -15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.267 -12.173 -15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.338 -11.105 -16.177 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.559 -12.447 -15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.274 -10.688 -14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.355 -10.973 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.865 -8.942 -14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.417 -8.547 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.303 -8.027 -13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.467 -9.242 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.683 -7.789 -12.655 1.00 0.00 H new ATOM 637 N GLU A 37 -1.154 -13.392 -12.778 1.00 0.00 N ATOM 638 CA GLU A 37 -1.669 -14.582 -12.125 1.00 0.00 C ATOM 639 C GLU A 37 -1.518 -14.442 -10.618 1.00 0.00 C ATOM 640 O GLU A 37 -2.509 -14.431 -9.894 1.00 0.00 O ATOM 641 CB GLU A 37 -0.904 -15.773 -12.721 1.00 0.00 C ATOM 642 CG GLU A 37 -1.039 -17.066 -11.917 1.00 0.00 C ATOM 643 CD GLU A 37 0.016 -17.196 -10.828 1.00 0.00 C ATOM 644 OE1 GLU A 37 1.217 -16.974 -11.094 1.00 0.00 O ATOM 645 OE2 GLU A 37 -0.350 -17.490 -9.677 1.00 0.00 O ATOM 0 H GLU A 37 -0.702 -13.606 -13.667 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.735 -14.735 -12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.261 -15.950 -13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.152 -15.513 -12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.029 -17.105 -11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.964 -17.918 -12.593 1.00 0.00 H new ATOM 652 N GLU A 38 -0.266 -14.275 -10.198 1.00 0.00 N ATOM 653 CA GLU A 38 0.120 -14.156 -8.816 1.00 0.00 C ATOM 654 C GLU A 38 -0.806 -13.199 -8.074 1.00 0.00 C ATOM 655 O GLU A 38 -1.510 -13.657 -7.182 1.00 0.00 O ATOM 656 CB GLU A 38 1.621 -13.835 -8.769 1.00 0.00 C ATOM 657 CG GLU A 38 2.163 -13.502 -7.376 1.00 0.00 C ATOM 658 CD GLU A 38 1.809 -12.082 -7.000 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.109 -11.194 -7.826 1.00 0.00 O ATOM 660 OE2 GLU A 38 1.184 -11.918 -5.937 1.00 0.00 O ATOM 0 H GLU A 38 0.525 -14.218 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.006 -15.090 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.173 -14.688 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.819 -12.992 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.749 -14.194 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.245 -13.631 -7.359 1.00 0.00 H new ATOM 667 N ARG A 39 -0.854 -11.915 -8.436 1.00 0.00 N ATOM 668 CA ARG A 39 -1.666 -10.978 -7.668 1.00 0.00 C ATOM 669 C ARG A 39 -3.125 -11.396 -7.665 1.00 0.00 C ATOM 670 O ARG A 39 -3.759 -11.330 -6.617 1.00 0.00 O ATOM 671 CB ARG A 39 -1.618 -9.525 -8.156 1.00 0.00 C ATOM 672 CG ARG A 39 -0.210 -8.953 -8.291 1.00 0.00 C ATOM 673 CD ARG A 39 0.206 -8.942 -9.763 1.00 0.00 C ATOM 674 NE ARG A 39 -0.452 -7.822 -10.457 1.00 0.00 N ATOM 675 CZ ARG A 39 0.164 -6.764 -11.001 1.00 0.00 C ATOM 676 NH1 ARG A 39 1.479 -6.731 -11.206 1.00 0.00 N ATOM 677 NH2 ARG A 39 -0.552 -5.696 -11.319 1.00 0.00 N ATOM 0 H ARG A 39 -0.357 -11.513 -9.230 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.225 -11.013 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.117 -9.462 -9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.185 -8.903 -7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.178 -7.941 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.492 -9.550 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.289 -8.847 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.067 -9.886 -10.235 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.469 -7.855 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.056 -7.531 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.910 -5.906 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.558 -5.687 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.098 -4.882 -11.734 1.00 0.00 H new ATOM 691 N GLU A 40 -3.663 -11.764 -8.827 1.00 0.00 N ATOM 692 CA GLU A 40 -5.053 -12.170 -8.949 1.00 0.00 C ATOM 693 C GLU A 40 -5.348 -13.233 -7.883 1.00 0.00 C ATOM 694 O GLU A 40 -6.203 -13.040 -7.015 1.00 0.00 O ATOM 695 CB GLU A 40 -5.339 -12.635 -10.385 1.00 0.00 C ATOM 696 CG GLU A 40 -6.327 -11.698 -11.107 1.00 0.00 C ATOM 697 CD GLU A 40 -5.872 -10.253 -11.216 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.661 -10.012 -11.406 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.751 -9.362 -11.183 1.00 0.00 O ATOM 0 H GLU A 40 -3.145 -11.787 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.728 -11.334 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.405 -12.679 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.746 -13.646 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.505 -12.085 -12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.281 -11.725 -10.581 1.00 0.00 H new ATOM 706 N THR A 41 -4.580 -14.318 -7.917 1.00 0.00 N ATOM 707 CA THR A 41 -4.573 -15.358 -6.914 1.00 0.00 C ATOM 708 C THR A 41 -4.401 -14.774 -5.511 1.00 0.00 C ATOM 709 O THR A 41 -5.148 -15.139 -4.621 1.00 0.00 O ATOM 710 CB THR A 41 -3.480 -16.391 -7.275 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.079 -17.524 -7.874 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.588 -16.849 -6.115 1.00 0.00 C ATOM 0 H THR A 41 -3.923 -14.496 -8.677 1.00 0.00 H new ATOM 0 HA THR A 41 -5.535 -15.870 -6.902 1.00 0.00 H new ATOM 0 HB THR A 41 -2.815 -15.868 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.386 -18.177 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.858 -17.572 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.067 -15.989 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.203 -17.313 -5.344 1.00 0.00 H new ATOM 720 N LEU A 42 -3.414 -13.919 -5.263 1.00 0.00 N ATOM 721 CA LEU A 42 -3.068 -13.483 -3.919 1.00 0.00 C ATOM 722 C LEU A 42 -4.260 -12.753 -3.318 1.00 0.00 C ATOM 723 O LEU A 42 -4.690 -13.099 -2.224 1.00 0.00 O ATOM 724 CB LEU A 42 -1.737 -12.703 -3.917 1.00 0.00 C ATOM 725 CG LEU A 42 -1.660 -11.394 -3.114 1.00 0.00 C ATOM 726 CD1 LEU A 42 -1.829 -11.540 -1.604 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.281 -10.763 -3.322 1.00 0.00 C ATOM 0 H LEU A 42 -2.831 -13.509 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.872 -14.333 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.961 -13.370 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.485 -12.473 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.491 -10.794 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.758 -10.559 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.804 -11.977 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.046 -12.188 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.217 -9.834 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.490 -11.452 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.133 -10.554 -4.381 1.00 0.00 H new ATOM 739 N VAL A 43 -4.817 -11.775 -4.030 1.00 0.00 N ATOM 740 CA VAL A 43 -6.026 -11.090 -3.605 1.00 0.00 C ATOM 741 C VAL A 43 -7.069 -12.120 -3.178 1.00 0.00 C ATOM 742 O VAL A 43 -7.643 -12.010 -2.095 1.00 0.00 O ATOM 743 CB VAL A 43 -6.568 -10.212 -4.744 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.919 -9.625 -4.334 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.618 -9.060 -5.078 1.00 0.00 C ATOM 0 H VAL A 43 -4.440 -11.439 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.797 -10.444 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.668 -10.843 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.305 -9.002 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.621 -10.434 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.795 -9.020 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.039 -8.464 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.484 -8.432 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.653 -9.462 -5.387 1.00 0.00 H new ATOM 755 N GLU A 44 -7.309 -13.091 -4.054 1.00 0.00 N ATOM 756 CA GLU A 44 -8.307 -14.128 -3.893 1.00 0.00 C ATOM 757 C GLU A 44 -8.032 -14.925 -2.615 1.00 0.00 C ATOM 758 O GLU A 44 -8.814 -14.869 -1.676 1.00 0.00 O ATOM 759 CB GLU A 44 -8.250 -14.977 -5.177 1.00 0.00 C ATOM 760 CG GLU A 44 -9.546 -15.658 -5.578 1.00 0.00 C ATOM 761 CD GLU A 44 -10.643 -14.631 -5.788 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.494 -13.826 -6.733 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.574 -14.556 -4.956 1.00 0.00 O ATOM 0 H GLU A 44 -6.790 -13.175 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.315 -13.732 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.929 -14.337 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.484 -15.742 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.395 -16.230 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.846 -16.366 -4.806 1.00 0.00 H new ATOM 770 N GLU A 45 -6.905 -15.633 -2.559 1.00 0.00 N ATOM 771 CA GLU A 45 -6.437 -16.432 -1.436 1.00 0.00 C ATOM 772 C GLU A 45 -6.570 -15.628 -0.137 1.00 0.00 C ATOM 773 O GLU A 45 -7.095 -16.125 0.862 1.00 0.00 O ATOM 774 CB GLU A 45 -4.980 -16.860 -1.694 1.00 0.00 C ATOM 775 CG GLU A 45 -4.777 -18.367 -1.892 1.00 0.00 C ATOM 776 CD GLU A 45 -4.846 -19.108 -0.577 1.00 0.00 C ATOM 777 OE1 GLU A 45 -5.974 -19.434 -0.155 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.783 -19.297 0.056 1.00 0.00 O ATOM 0 H GLU A 45 -6.257 -15.663 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.045 -17.331 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.615 -16.339 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.366 -16.532 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.539 -18.753 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.811 -18.547 -2.363 1.00 0.00 H new ATOM 785 N CYS A 46 -6.094 -14.378 -0.158 1.00 0.00 N ATOM 786 CA CYS A 46 -6.123 -13.486 0.991 1.00 0.00 C ATOM 787 C CYS A 46 -7.562 -13.366 1.437 1.00 0.00 C ATOM 788 O CYS A 46 -7.895 -13.770 2.538 1.00 0.00 O ATOM 789 CB CYS A 46 -5.613 -12.071 0.659 1.00 0.00 C ATOM 790 SG CYS A 46 -3.937 -11.844 1.265 1.00 0.00 S ATOM 0 H CYS A 46 -5.674 -13.959 -0.987 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.472 -13.903 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.640 -11.913 -0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.271 -11.327 1.107 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.964 -11.156 2.368 1.00 0.00 H new ATOM 796 N ASN A 47 -8.411 -12.808 0.578 1.00 0.00 N ATOM 797 CA ASN A 47 -9.830 -12.564 0.815 1.00 0.00 C ATOM 798 C ASN A 47 -10.536 -13.818 1.309 1.00 0.00 C ATOM 799 O ASN A 47 -11.285 -13.765 2.280 1.00 0.00 O ATOM 800 CB ASN A 47 -10.455 -12.054 -0.489 1.00 0.00 C ATOM 801 CG ASN A 47 -10.373 -10.538 -0.526 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.024 -9.864 0.265 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.507 -9.994 -1.371 1.00 0.00 N ATOM 0 H ASN A 47 -8.113 -12.499 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.945 -11.814 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.933 -12.479 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.494 -12.375 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.366 -8.984 -1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.983 -10.586 -2.015 1.00 0.00 H new ATOM 810 N ARG A 48 -10.279 -14.950 0.666 1.00 0.00 N ATOM 811 CA ARG A 48 -10.814 -16.249 1.018 1.00 0.00 C ATOM 812 C ARG A 48 -10.493 -16.532 2.486 1.00 0.00 C ATOM 813 O ARG A 48 -11.383 -16.761 3.300 1.00 0.00 O ATOM 814 CB ARG A 48 -10.199 -17.304 0.085 1.00 0.00 C ATOM 815 CG ARG A 48 -11.066 -18.560 -0.034 1.00 0.00 C ATOM 816 CD ARG A 48 -10.195 -19.803 -0.267 1.00 0.00 C ATOM 817 NE ARG A 48 -9.960 -20.517 0.998 1.00 0.00 N ATOM 818 CZ ARG A 48 -8.923 -20.369 1.841 1.00 0.00 C ATOM 819 NH1 ARG A 48 -7.886 -19.594 1.546 1.00 0.00 N ATOM 820 NH2 ARG A 48 -8.947 -21.012 3.009 1.00 0.00 N ATOM 0 H ARG A 48 -9.666 -14.984 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.897 -16.277 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.057 -16.870 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.212 -17.582 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.655 -18.688 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.771 -18.444 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.683 -20.467 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.242 -19.508 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.665 -21.203 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.861 -19.091 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.114 -19.502 2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.743 -21.603 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.170 -20.913 3.662 1.00 0.00 H new ATOM 834 N ALA A 49 -9.212 -16.491 2.844 1.00 0.00 N ATOM 835 CA ALA A 49 -8.783 -16.687 4.218 1.00 0.00 C ATOM 836 C ALA A 49 -9.364 -15.603 5.135 1.00 0.00 C ATOM 837 O ALA A 49 -9.764 -15.883 6.266 1.00 0.00 O ATOM 838 CB ALA A 49 -7.255 -16.706 4.266 1.00 0.00 C ATOM 0 H ALA A 49 -8.448 -16.321 2.190 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.158 -17.643 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.925 -16.853 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.882 -17.521 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.867 -15.758 3.892 1.00 0.00 H new ATOM 844 N GLU A 50 -9.426 -14.364 4.649 1.00 0.00 N ATOM 845 CA GLU A 50 -9.893 -13.199 5.376 1.00 0.00 C ATOM 846 C GLU A 50 -11.374 -13.378 5.702 1.00 0.00 C ATOM 847 O GLU A 50 -11.870 -12.843 6.696 1.00 0.00 O ATOM 848 CB GLU A 50 -9.632 -11.920 4.565 1.00 0.00 C ATOM 849 CG GLU A 50 -9.398 -10.688 5.452 1.00 0.00 C ATOM 850 CD GLU A 50 -7.929 -10.355 5.644 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.221 -10.193 4.626 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.548 -10.116 6.809 1.00 0.00 O ATOM 0 H GLU A 50 -9.138 -14.142 3.696 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.344 -13.098 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.762 -12.072 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.481 -11.733 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.903 -9.829 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.855 -10.859 6.427 1.00 0.00 H new ATOM 859 N CYS A 51 -12.093 -14.136 4.876 1.00 0.00 N ATOM 860 CA CYS A 51 -13.443 -14.541 5.202 1.00 0.00 C ATOM 861 C CYS A 51 -13.423 -15.383 6.471 1.00 0.00 C ATOM 862 O CYS A 51 -14.077 -15.029 7.450 1.00 0.00 O ATOM 863 CB CYS A 51 -14.184 -15.190 4.014 1.00 0.00 C ATOM 864 SG CYS A 51 -14.453 -16.977 4.154 1.00 0.00 S ATOM 0 H CYS A 51 -11.755 -14.478 3.977 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.040 -13.653 5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.151 -14.701 3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.618 -14.994 3.103 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.394 -17.208 5.021 1.00 0.00 H new ATOM 870 N ILE A 52 -12.588 -16.421 6.519 1.00 0.00 N ATOM 871 CA ILE A 52 -12.729 -17.524 7.455 1.00 0.00 C ATOM 872 C ILE A 52 -12.556 -16.972 8.858 1.00 0.00 C ATOM 873 O ILE A 52 -13.345 -17.282 9.748 1.00 0.00 O ATOM 874 CB ILE A 52 -11.706 -18.630 7.113 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.118 -19.292 5.786 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.589 -19.677 8.228 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.169 -20.400 5.327 1.00 0.00 C ATOM 0 H ILE A 52 -11.785 -16.516 5.898 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.715 -17.983 7.388 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.722 -18.172 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.120 -19.707 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.171 -18.528 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.858 -20.433 7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.267 -19.192 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.558 -20.150 8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.526 -20.818 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.170 -19.988 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.134 -21.185 6.082 1.00 0.00 H new ATOM 889 N GLN A 53 -11.554 -16.107 9.026 1.00 0.00 N ATOM 890 CA GLN A 53 -11.235 -15.534 10.332 1.00 0.00 C ATOM 891 C GLN A 53 -12.464 -14.925 11.035 1.00 0.00 C ATOM 892 O GLN A 53 -12.468 -14.870 12.261 1.00 0.00 O ATOM 893 CB GLN A 53 -10.029 -14.572 10.292 1.00 0.00 C ATOM 894 CG GLN A 53 -9.967 -13.760 9.001 1.00 0.00 C ATOM 895 CD GLN A 53 -9.140 -12.479 9.094 1.00 0.00 C ATOM 896 OE1 GLN A 53 -9.520 -11.522 9.767 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.028 -12.431 8.383 1.00 0.00 N ATOM 0 H GLN A 53 -10.948 -15.788 8.270 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.921 -16.373 10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.083 -13.892 11.142 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.108 -15.145 10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.553 -14.388 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.982 -13.500 8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.738 -13.241 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.459 -11.584 8.382 1.00 0.00 H new ATOM 906 N ARG A 54 -13.488 -14.449 10.308 1.00 0.00 N ATOM 907 CA ARG A 54 -14.729 -13.983 10.892 1.00 0.00 C ATOM 908 C ARG A 54 -15.933 -14.432 10.053 1.00 0.00 C ATOM 909 O ARG A 54 -16.892 -13.673 9.906 1.00 0.00 O ATOM 910 CB ARG A 54 -14.717 -12.457 10.963 1.00 0.00 C ATOM 911 CG ARG A 54 -13.513 -11.809 11.659 1.00 0.00 C ATOM 912 CD ARG A 54 -12.364 -11.499 10.690 1.00 0.00 C ATOM 913 NE ARG A 54 -12.618 -10.291 9.891 1.00 0.00 N ATOM 914 CZ ARG A 54 -13.378 -10.183 8.797 1.00 0.00 C ATOM 915 NH1 ARG A 54 -13.575 -11.217 7.978 1.00 0.00 N ATOM 916 NH2 ARG A 54 -13.966 -9.010 8.575 1.00 0.00 N ATOM 0 H ARG A 54 -13.465 -14.382 9.290 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.818 -14.409 11.892 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.772 -12.069 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.622 -12.133 11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.832 -10.887 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.152 -12.473 12.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.440 -11.371 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.215 -12.348 10.023 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.161 -9.436 10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.141 -12.118 8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.160 -11.107 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.828 -8.238 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.555 -8.882 7.752 1.00 0.00 H new ATOM 930 N GLY A 55 -15.896 -15.627 9.470 1.00 0.00 N ATOM 931 CA GLY A 55 -16.950 -16.092 8.577 1.00 0.00 C ATOM 932 C GLY A 55 -17.020 -15.297 7.265 1.00 0.00 C ATOM 933 O GLY A 55 -16.594 -15.801 6.228 1.00 0.00 O ATOM 0 H GLY A 55 -15.138 -16.296 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.787 -17.145 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.910 -16.022 9.089 1.00 0.00 H new ATOM 937 N VAL A 56 -17.570 -14.073 7.294 1.00 0.00 N ATOM 938 CA VAL A 56 -18.009 -13.297 6.126 1.00 0.00 C ATOM 939 C VAL A 56 -19.047 -14.117 5.322 1.00 0.00 C ATOM 940 O VAL A 56 -19.227 -15.315 5.522 1.00 0.00 O ATOM 941 CB VAL A 56 -16.775 -12.814 5.316 1.00 0.00 C ATOM 942 CG1 VAL A 56 -16.914 -12.793 3.795 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.194 -11.448 5.710 1.00 0.00 C ATOM 0 H VAL A 56 -17.727 -13.576 8.171 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.525 -12.385 6.426 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.092 -13.611 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -15.985 -12.437 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.127 -13.800 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.730 -12.127 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.338 -11.220 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.955 -10.678 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.876 -11.475 6.752 1.00 0.00 H new ATOM 953 N SER A 57 -19.779 -13.479 4.409 1.00 0.00 N ATOM 954 CA SER A 57 -20.488 -14.214 3.368 1.00 0.00 C ATOM 955 C SER A 57 -19.409 -14.628 2.366 1.00 0.00 C ATOM 956 O SER A 57 -18.874 -13.725 1.730 1.00 0.00 O ATOM 957 CB SER A 57 -21.499 -13.286 2.692 1.00 0.00 C ATOM 958 OG SER A 57 -22.836 -13.690 2.945 1.00 0.00 O ATOM 0 H SER A 57 -19.895 -12.466 4.370 1.00 0.00 H new ATOM 0 HA SER A 57 -21.031 -15.074 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.353 -12.267 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.320 -13.275 1.617 1.00 0.00 H new ATOM 0 HG SER A 57 -23.454 -13.074 2.499 1.00 0.00 H new ATOM 964 N PRO A 58 -19.054 -15.909 2.203 1.00 0.00 N ATOM 965 CA PRO A 58 -17.874 -16.283 1.434 1.00 0.00 C ATOM 966 C PRO A 58 -17.918 -15.759 -0.003 1.00 0.00 C ATOM 967 O PRO A 58 -16.910 -15.308 -0.539 1.00 0.00 O ATOM 968 CB PRO A 58 -17.786 -17.811 1.509 1.00 0.00 C ATOM 969 CG PRO A 58 -19.200 -18.249 1.897 1.00 0.00 C ATOM 970 CD PRO A 58 -19.706 -17.086 2.751 1.00 0.00 C ATOM 0 HA PRO A 58 -16.977 -15.826 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.484 -18.240 0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.052 -18.132 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.827 -18.407 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.192 -19.185 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.791 -16.998 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.450 -17.226 3.801 1.00 0.00 H new ATOM 978 N SER A 59 -19.098 -15.768 -0.620 1.00 0.00 N ATOM 979 CA SER A 59 -19.291 -15.224 -1.956 1.00 0.00 C ATOM 980 C SER A 59 -18.881 -13.748 -2.016 1.00 0.00 C ATOM 981 O SER A 59 -18.390 -13.252 -3.031 1.00 0.00 O ATOM 982 CB SER A 59 -20.762 -15.431 -2.340 1.00 0.00 C ATOM 983 OG SER A 59 -21.620 -15.321 -1.207 1.00 0.00 O ATOM 0 H SER A 59 -19.946 -16.154 -0.204 1.00 0.00 H new ATOM 0 HA SER A 59 -18.654 -15.742 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.051 -14.693 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.885 -16.413 -2.796 1.00 0.00 H new ATOM 0 HG SER A 59 -22.550 -15.456 -1.486 1.00 0.00 H new ATOM 989 N GLN A 60 -19.094 -13.049 -0.908 1.00 0.00 N ATOM 990 CA GLN A 60 -18.901 -11.628 -0.738 1.00 0.00 C ATOM 991 C GLN A 60 -17.570 -11.357 -0.044 1.00 0.00 C ATOM 992 O GLN A 60 -17.467 -10.397 0.719 1.00 0.00 O ATOM 993 CB GLN A 60 -20.093 -11.122 0.090 1.00 0.00 C ATOM 994 CG GLN A 60 -20.372 -9.624 -0.039 1.00 0.00 C ATOM 995 CD GLN A 60 -21.720 -9.301 0.587 1.00 0.00 C ATOM 996 OE1 GLN A 60 -21.802 -8.822 1.717 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.794 -9.620 -0.118 1.00 0.00 N ATOM 0 H GLN A 60 -19.428 -13.495 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.861 -11.107 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.985 -11.671 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.914 -11.355 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -19.585 -9.053 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -20.368 -9.332 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -22.692 -10.016 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.724 -9.470 0.273 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.530 -12.150 -0.308 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.232 -11.866 0.301 1.00 0.00 C ATOM 1008 C ALA A 61 -14.654 -10.558 -0.241 1.00 0.00 C ATOM 1009 O ALA A 61 -14.035 -9.789 0.486 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.268 -13.048 0.141 1.00 0.00 C ATOM 0 H ALA A 61 -16.557 -12.967 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.377 -11.732 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.312 -12.804 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.690 -13.930 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.115 -13.252 -0.919 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.036 -10.183 -1.461 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.710 -8.867 -1.997 1.00 0.00 C ATOM 1018 C GLN A 62 -15.325 -7.760 -1.123 1.00 0.00 C ATOM 1019 O GLN A 62 -14.874 -6.612 -1.117 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.107 -8.794 -3.480 1.00 0.00 C ATOM 1021 CG GLN A 62 -16.570 -8.412 -3.758 1.00 0.00 C ATOM 1022 CD GLN A 62 -16.743 -6.897 -3.790 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -16.196 -6.216 -4.653 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -17.444 -6.328 -2.819 1.00 0.00 N ATOM 0 H GLN A 62 -15.572 -10.775 -2.096 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.633 -8.701 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.461 -8.069 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.910 -9.763 -3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -16.886 -8.838 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -17.213 -8.839 -2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.893 -6.906 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.534 -5.313 -2.783 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.376 -8.099 -0.375 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.017 -7.245 0.602 1.00 0.00 C ATOM 1035 C GLY A 63 -16.360 -7.348 1.976 1.00 0.00 C ATOM 1036 O GLY A 63 -17.037 -7.146 2.985 1.00 0.00 O ATOM 0 H GLY A 63 -16.816 -9.017 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.979 -6.211 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.070 -7.515 0.683 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.057 -7.625 2.058 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.292 -7.491 3.290 1.00 0.00 C ATOM 1042 C LEU A 64 -14.181 -6.005 3.688 1.00 0.00 C ATOM 1043 O LEU A 64 -13.089 -5.441 3.709 1.00 0.00 O ATOM 1044 CB LEU A 64 -12.912 -8.173 3.122 1.00 0.00 C ATOM 1045 CG LEU A 64 -12.748 -9.468 3.923 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -13.011 -9.263 5.403 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.466 -10.676 3.358 1.00 0.00 C ATOM 0 H LEU A 64 -14.504 -7.950 1.265 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.806 -7.997 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.753 -8.390 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.134 -7.472 3.424 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.694 -9.724 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.883 -10.209 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.309 -8.529 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.030 -8.904 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.286 -11.539 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.536 -10.475 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.093 -10.885 2.355 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.288 -5.364 4.068 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.380 -3.950 4.416 1.00 0.00 C ATOM 1061 C GLY A 65 -14.811 -3.713 5.811 1.00 0.00 C ATOM 1062 O GLY A 65 -15.511 -3.329 6.745 1.00 0.00 O ATOM 0 H GLY A 65 -16.186 -5.842 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.834 -3.352 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.420 -3.626 4.380 1.00 0.00 H new ATOM 1066 N SER A 66 -13.546 -4.057 5.971 1.00 0.00 N ATOM 1067 CA SER A 66 -12.798 -4.122 7.196 1.00 0.00 C ATOM 1068 C SER A 66 -11.331 -4.231 6.789 1.00 0.00 C ATOM 1069 O SER A 66 -10.468 -3.551 7.338 1.00 0.00 O ATOM 1070 CB SER A 66 -13.229 -5.377 7.974 1.00 0.00 C ATOM 1071 OG SER A 66 -13.397 -5.100 9.351 1.00 0.00 O ATOM 0 H SER A 66 -12.972 -4.320 5.170 1.00 0.00 H new ATOM 0 HA SER A 66 -12.964 -3.251 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.163 -5.759 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.481 -6.160 7.848 1.00 0.00 H new ATOM 0 HG SER A 66 -13.673 -5.917 9.818 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.058 -5.131 5.838 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.740 -5.710 5.611 1.00 0.00 C ATOM 1079 C ASN A 67 -9.336 -5.680 4.141 1.00 0.00 C ATOM 1080 O ASN A 67 -8.144 -5.773 3.858 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.767 -7.177 6.078 1.00 0.00 C ATOM 1082 CG ASN A 67 -9.687 -7.312 7.598 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -10.017 -6.386 8.333 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -9.314 -8.463 8.121 1.00 0.00 N ATOM 0 H ASN A 67 -11.767 -5.481 5.193 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.014 -5.118 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.682 -7.651 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.934 -7.714 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.300 -8.582 9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.039 -9.234 7.513 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.318 -5.576 3.240 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.218 -5.957 1.842 1.00 0.00 C ATOM 1093 C LEU A 68 -8.858 -5.670 1.223 1.00 0.00 C ATOM 1094 O LEU A 68 -8.497 -4.515 0.982 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.318 -5.277 1.020 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.204 -5.520 -0.496 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -11.470 -6.989 -0.815 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.171 -4.622 -1.266 1.00 0.00 C ATOM 0 H LEU A 68 -11.238 -5.208 3.482 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.348 -7.039 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.289 -5.635 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.289 -4.204 1.209 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.190 -5.271 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.387 -7.149 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.740 -7.612 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.474 -7.257 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.072 -4.812 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.193 -4.835 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.939 -3.577 -1.060 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.165 -6.735 0.865 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.029 -6.689 -0.031 1.00 0.00 C ATOM 1112 C VAL A 69 -7.573 -6.572 -1.457 1.00 0.00 C ATOM 1113 O VAL A 69 -8.463 -7.328 -1.834 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.182 -7.953 0.184 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.028 -8.027 -0.819 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.606 -7.955 1.606 1.00 0.00 C ATOM 0 H VAL A 69 -8.382 -7.675 1.197 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.381 -5.833 0.159 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.829 -8.818 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.448 -8.932 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.428 -8.046 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.385 -7.155 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.006 -8.853 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.981 -7.073 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.422 -7.940 2.329 1.00 0.00 H new ATOM 1126 N THR A 70 -7.053 -5.627 -2.241 1.00 0.00 N ATOM 1127 CA THR A 70 -7.247 -5.547 -3.683 1.00 0.00 C ATOM 1128 C THR A 70 -5.877 -5.616 -4.358 1.00 0.00 C ATOM 1129 O THR A 70 -4.864 -5.388 -3.692 1.00 0.00 O ATOM 1130 CB THR A 70 -7.964 -4.235 -4.036 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.157 -3.095 -3.794 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.263 -4.088 -3.243 1.00 0.00 C ATOM 0 H THR A 70 -6.468 -4.875 -1.876 1.00 0.00 H new ATOM 0 HA THR A 70 -7.864 -6.375 -4.032 1.00 0.00 H new ATOM 0 HB THR A 70 -8.180 -4.289 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.654 -2.285 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.750 -3.151 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.927 -4.921 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.040 -4.087 -2.176 1.00 0.00 H new ATOM 1140 N GLU A 71 -5.826 -5.869 -5.668 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.591 -5.853 -6.442 1.00 0.00 C ATOM 1142 C GLU A 71 -3.838 -4.541 -6.212 1.00 0.00 C ATOM 1143 O GLU A 71 -2.618 -4.532 -6.120 1.00 0.00 O ATOM 1144 CB GLU A 71 -4.880 -6.098 -7.928 1.00 0.00 C ATOM 1145 CG GLU A 71 -3.605 -6.268 -8.770 1.00 0.00 C ATOM 1146 CD GLU A 71 -3.911 -6.483 -10.233 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.068 -6.252 -10.636 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -2.975 -6.739 -11.017 1.00 0.00 O ATOM 0 H GLU A 71 -6.652 -6.093 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.948 -6.665 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.497 -6.991 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.460 -5.263 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.977 -5.384 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.033 -7.115 -8.392 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.541 -3.418 -6.082 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.888 -2.157 -5.757 1.00 0.00 C ATOM 1157 C VAL A 72 -3.181 -2.245 -4.397 1.00 0.00 C ATOM 1158 O VAL A 72 -2.023 -1.847 -4.256 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.905 -1.014 -5.853 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.536 0.210 -5.015 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -5.054 -0.609 -7.321 1.00 0.00 C ATOM 0 H VAL A 72 -5.553 -3.357 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.102 -1.943 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.845 -1.387 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.302 0.976 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.467 -0.075 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.575 0.603 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.775 0.204 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.090 -0.279 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.403 -1.464 -7.901 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.857 -2.745 -3.363 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.222 -2.900 -2.061 1.00 0.00 C ATOM 1173 C ARG A 73 -2.015 -3.834 -2.161 1.00 0.00 C ATOM 1174 O ARG A 73 -0.952 -3.538 -1.615 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.224 -3.404 -1.024 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.390 -2.432 -0.787 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.930 -1.112 -0.150 1.00 0.00 C ATOM 1178 NE ARG A 73 -4.698 -0.038 -1.134 1.00 0.00 N ATOM 1179 CZ ARG A 73 -3.688 0.850 -1.124 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -2.692 0.746 -0.240 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -3.686 1.861 -1.986 1.00 0.00 N ATOM 0 H ARG A 73 -4.831 -3.045 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.868 -1.923 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.621 -4.365 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.705 -3.576 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.883 -2.222 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.129 -2.906 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.681 -0.782 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.011 -1.288 0.409 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.370 0.039 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.691 -0.015 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.933 1.427 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.450 1.963 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.921 2.535 -1.980 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.162 -4.935 -2.888 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.070 -5.849 -3.171 1.00 0.00 C ATOM 1197 C VAL A 74 0.094 -5.064 -3.793 1.00 0.00 C ATOM 1198 O VAL A 74 1.239 -5.145 -3.346 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.591 -6.955 -4.098 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.466 -7.743 -4.760 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.529 -7.890 -3.334 1.00 0.00 C ATOM 0 H VAL A 74 -3.051 -5.218 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.697 -6.318 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.146 -6.467 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.891 -8.512 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.149 -7.069 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.150 -8.212 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.891 -8.670 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.991 -8.347 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.375 -7.321 -2.949 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.211 -4.244 -4.797 1.00 0.00 N ATOM 1212 CA TYR A 75 0.755 -3.397 -5.467 1.00 0.00 C ATOM 1213 C TYR A 75 1.564 -2.621 -4.438 1.00 0.00 C ATOM 1214 O TYR A 75 2.778 -2.523 -4.558 1.00 0.00 O ATOM 1215 CB TYR A 75 0.059 -2.440 -6.446 1.00 0.00 C ATOM 1216 CG TYR A 75 0.897 -2.128 -7.662 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.896 -1.138 -7.611 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.748 -2.919 -8.813 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.740 -0.938 -8.716 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.603 -2.726 -9.905 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.577 -1.720 -9.870 1.00 0.00 C ATOM 1222 OH TYR A 75 3.467 -1.611 -10.898 1.00 0.00 O ATOM 0 H TYR A 75 -1.156 -4.153 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 75 1.432 -4.028 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.886 -2.880 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.181 -1.511 -5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.014 -0.533 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.023 -3.674 -8.856 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.513 -0.184 -8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.511 -3.355 -10.778 1.00 0.00 H new ATOM 0 HH TYR A 75 3.210 -2.222 -11.619 1.00 0.00 H new ATOM 1232 N ASN A 76 0.902 -2.085 -3.411 1.00 0.00 N ATOM 1233 CA ASN A 76 1.584 -1.282 -2.404 1.00 0.00 C ATOM 1234 C ASN A 76 2.629 -2.113 -1.679 1.00 0.00 C ATOM 1235 O ASN A 76 3.777 -1.686 -1.553 1.00 0.00 O ATOM 1236 CB ASN A 76 0.642 -0.709 -1.338 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.168 0.477 -1.813 1.00 0.00 C ATOM 1238 OD1 ASN A 76 -0.184 1.528 -1.176 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.950 0.307 -2.862 1.00 0.00 N ATOM 0 H ASN A 76 -0.101 -2.194 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 76 2.034 -0.455 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.039 -1.494 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.229 -0.411 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.580 1.054 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.925 -0.571 -3.380 1.00 0.00 H new ATOM 1246 N TRP A 77 2.235 -3.260 -1.115 1.00 0.00 N ATOM 1247 CA TRP A 77 3.191 -4.036 -0.337 1.00 0.00 C ATOM 1248 C TRP A 77 4.344 -4.446 -1.242 1.00 0.00 C ATOM 1249 O TRP A 77 5.487 -4.172 -0.902 1.00 0.00 O ATOM 1250 CB TRP A 77 2.554 -5.219 0.407 1.00 0.00 C ATOM 1251 CG TRP A 77 2.781 -6.574 -0.183 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.039 -7.125 -1.163 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.768 -7.589 0.175 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.539 -8.357 -1.500 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.533 -8.737 -0.633 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.792 -7.691 1.141 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.222 -9.938 -0.453 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.427 -8.922 1.387 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.161 -10.041 0.583 1.00 0.00 C ATOM 0 H TRP A 77 1.297 -3.655 -1.181 1.00 0.00 H new ATOM 0 HA TRP A 77 3.580 -3.407 0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.932 -5.224 1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.479 -5.047 0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.175 -6.663 -1.618 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.215 -8.916 -2.289 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.091 -6.815 1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.034 -10.778 -1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.128 -9.007 2.204 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.675 -10.974 0.761 1.00 0.00 H new ATOM 1270 N PHE A 78 4.070 -5.034 -2.408 1.00 0.00 N ATOM 1271 CA PHE A 78 5.150 -5.460 -3.280 1.00 0.00 C ATOM 1272 C PHE A 78 6.029 -4.278 -3.653 1.00 0.00 C ATOM 1273 O PHE A 78 7.249 -4.390 -3.610 1.00 0.00 O ATOM 1274 CB PHE A 78 4.638 -6.152 -4.541 1.00 0.00 C ATOM 1275 CG PHE A 78 4.130 -7.564 -4.338 1.00 0.00 C ATOM 1276 CD1 PHE A 78 4.943 -8.538 -3.724 1.00 0.00 C ATOM 1277 CD2 PHE A 78 2.930 -7.958 -4.953 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.522 -9.877 -3.675 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.530 -9.303 -4.922 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.315 -10.264 -4.266 1.00 0.00 C ATOM 0 H PHE A 78 3.130 -5.220 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 78 5.740 -6.189 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.834 -5.551 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.442 -6.174 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.891 -8.254 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.314 -7.224 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.135 -10.614 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.612 -9.601 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.990 -11.293 -4.218 1.00 0.00 H new ATOM 1290 N ALA A 79 5.426 -3.145 -4.002 1.00 0.00 N ATOM 1291 CA ALA A 79 6.147 -1.933 -4.343 1.00 0.00 C ATOM 1292 C ALA A 79 7.126 -1.533 -3.242 1.00 0.00 C ATOM 1293 O ALA A 79 8.175 -0.975 -3.558 1.00 0.00 O ATOM 1294 CB ALA A 79 5.180 -0.789 -4.652 1.00 0.00 C ATOM 0 H ALA A 79 4.412 -3.047 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 79 6.728 -2.141 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.746 0.108 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.545 -1.066 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.559 -0.592 -3.778 1.00 0.00 H new ATOM 1300 N ASN A 80 6.796 -1.783 -1.975 1.00 0.00 N ATOM 1301 CA ASN A 80 7.647 -1.434 -0.843 1.00 0.00 C ATOM 1302 C ASN A 80 8.649 -2.546 -0.563 1.00 0.00 C ATOM 1303 O ASN A 80 9.849 -2.305 -0.532 1.00 0.00 O ATOM 1304 CB ASN A 80 6.790 -1.118 0.386 1.00 0.00 C ATOM 1305 CG ASN A 80 6.222 0.287 0.253 1.00 0.00 C ATOM 1306 OD1 ASN A 80 6.941 1.277 0.370 1.00 0.00 O ATOM 1307 ND2 ASN A 80 4.948 0.400 -0.085 1.00 0.00 N ATOM 0 H ASN A 80 5.923 -2.237 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 80 8.217 -0.538 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.981 -1.843 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.390 -1.196 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.545 1.322 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.369 -0.435 -0.177 1.00 0.00 H new ATOM 1314 N ARG A 81 8.162 -3.767 -0.376 1.00 0.00 N ATOM 1315 CA ARG A 81 8.951 -4.969 -0.164 1.00 0.00 C ATOM 1316 C ARG A 81 10.090 -5.039 -1.186 1.00 0.00 C ATOM 1317 O ARG A 81 11.252 -5.148 -0.807 1.00 0.00 O ATOM 1318 CB ARG A 81 7.998 -6.173 -0.246 1.00 0.00 C ATOM 1319 CG ARG A 81 8.618 -7.550 0.019 1.00 0.00 C ATOM 1320 CD ARG A 81 9.001 -7.797 1.483 1.00 0.00 C ATOM 1321 NE ARG A 81 10.279 -7.166 1.863 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.570 -6.628 3.060 1.00 0.00 C ATOM 1323 NH1 ARG A 81 9.619 -6.341 3.946 1.00 0.00 N ATOM 1324 NH2 ARG A 81 11.837 -6.393 3.370 1.00 0.00 N ATOM 0 H ARG A 81 7.159 -3.952 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 81 9.426 -4.967 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.190 -6.019 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.548 -6.186 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.913 -8.320 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.508 -7.661 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.209 -7.416 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.067 -8.871 1.659 1.00 0.00 H new ATOM 0 HE ARG A 81 11.009 -7.135 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.641 -6.529 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.868 -5.933 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.576 -6.620 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.074 -5.985 4.274 1.00 0.00 H new ATOM 1338 N ARG A 82 9.768 -4.931 -2.479 1.00 0.00 N ATOM 1339 CA ARG A 82 10.774 -4.996 -3.530 1.00 0.00 C ATOM 1340 C ARG A 82 11.768 -3.850 -3.393 1.00 0.00 C ATOM 1341 O ARG A 82 12.962 -4.082 -3.487 1.00 0.00 O ATOM 1342 CB ARG A 82 10.154 -5.096 -4.931 1.00 0.00 C ATOM 1343 CG ARG A 82 9.582 -3.779 -5.472 1.00 0.00 C ATOM 1344 CD ARG A 82 8.565 -4.065 -6.584 1.00 0.00 C ATOM 1345 NE ARG A 82 9.200 -4.378 -7.874 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.355 -3.514 -8.889 1.00 0.00 C ATOM 1347 NH1 ARG A 82 9.188 -2.208 -8.674 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.660 -3.977 -10.098 1.00 0.00 N ATOM 0 H ARG A 82 8.815 -4.798 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 82 11.334 -5.923 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.912 -5.460 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.358 -5.841 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.104 -3.222 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.388 -3.154 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.932 -4.900 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.914 -3.199 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 82 9.550 -5.327 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.944 -1.872 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.304 -1.546 -9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.774 -4.980 -10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.780 -3.329 -10.877 1.00 0.00 H new