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 15 LYS NZ :NH3+ -109:sc= 1.99! (180deg=-0.707!) USER MOD Set 1.2: A 53 GLN : amide:sc= 0.582 K(o=2.2,f=-3.3) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.398 K(o=2.2,f=-5.5) USER MOD Set 2.1: A 60 GLN : amide:sc= -0.0596 K(o=-0.058,f=-7.3!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.00133 K(o=-0.058,f=-7.6!) USER MOD Single : A 20 SER OG : rot -70:sc= -0.0111 USER MOD Single : A 21 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.085) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.1!) USER MOD Single : A 28 TYR OH : rot -140:sc= 0.538 USER MOD Single : A 31 GLN : amide:sc= -3.28 K(o=-3.3,f=0.026) USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= 1.69 (180deg=-1.79) USER MOD Single : A 33 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 35 SER OG : rot 47:sc= 0.525 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.222 (180deg=-0.479) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 163:sc= -0.099 USER MOD Single : A 47 ASN : amide:sc= 1.82 K(o=1.8,f=-3.9!) USER MOD Single : A 51 CYS SG : rot -53:sc= 0.352 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.125 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000396 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -6.177 -3.432 7.758 1.00 0.00 N ATOM 271 CA LYS A 15 -5.080 -4.273 8.176 1.00 0.00 C ATOM 272 C LYS A 15 -4.873 -5.280 7.055 1.00 0.00 C ATOM 273 O LYS A 15 -5.807 -5.512 6.287 1.00 0.00 O ATOM 274 CB LYS A 15 -5.463 -5.018 9.471 1.00 0.00 C ATOM 275 CG LYS A 15 -6.768 -5.846 9.362 1.00 0.00 C ATOM 276 CD LYS A 15 -6.695 -7.117 10.227 1.00 0.00 C ATOM 277 CE LYS A 15 -7.791 -8.163 9.929 1.00 0.00 C ATOM 278 NZ LYS A 15 -7.783 -8.658 8.533 1.00 0.00 N ATOM 0 HA LYS A 15 -4.179 -3.691 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.646 -5.683 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.572 -4.292 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.615 -5.237 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.942 -6.121 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.720 -7.582 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.761 -6.830 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.666 -9.009 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.766 -7.725 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.611 -8.284 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.914 -8.341 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.818 -9.697 8.533 1.00 0.00 H new ATOM 292 N TRP A 16 -3.682 -5.870 6.970 1.00 0.00 N ATOM 293 CA TRP A 16 -3.569 -7.138 6.271 1.00 0.00 C ATOM 294 C TRP A 16 -4.154 -8.132 7.284 1.00 0.00 C ATOM 295 O TRP A 16 -5.347 -8.080 7.572 1.00 0.00 O ATOM 296 CB TRP A 16 -2.116 -7.404 5.855 1.00 0.00 C ATOM 297 CG TRP A 16 -1.702 -6.750 4.572 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.868 -5.693 4.431 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.113 -7.115 3.221 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.718 -5.400 3.087 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.516 -6.201 2.308 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.930 -8.122 2.668 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.758 -6.240 0.933 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -3.100 -8.227 1.275 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.560 -7.263 0.411 1.00 0.00 C ATOM 0 H TRP A 16 -2.814 -5.504 7.362 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.101 -7.195 5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.456 -7.061 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.970 -8.480 5.762 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.393 -5.161 5.242 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.094 -4.681 2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.431 -8.821 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.333 -5.492 0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.653 -9.060 0.866 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.761 -7.309 -0.649 1.00 0.00 H new ATOM 316 N GLY A 17 -3.334 -8.917 7.975 1.00 0.00 N ATOM 317 CA GLY A 17 -3.824 -9.819 9.009 1.00 0.00 C ATOM 318 C GLY A 17 -2.867 -10.993 9.155 1.00 0.00 C ATOM 319 O GLY A 17 -1.887 -11.067 8.413 1.00 0.00 O ATOM 0 H GLY A 17 -2.324 -8.946 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.912 -9.288 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.820 -10.178 8.751 1.00 0.00 H new ATOM 323 N PRO A 18 -3.093 -11.872 10.140 1.00 0.00 N ATOM 324 CA PRO A 18 -2.140 -12.906 10.499 1.00 0.00 C ATOM 325 C PRO A 18 -2.002 -13.939 9.390 1.00 0.00 C ATOM 326 O PRO A 18 -0.905 -14.242 8.931 1.00 0.00 O ATOM 327 CB PRO A 18 -2.661 -13.509 11.809 1.00 0.00 C ATOM 328 CG PRO A 18 -4.163 -13.211 11.787 1.00 0.00 C ATOM 329 CD PRO A 18 -4.250 -11.889 11.021 1.00 0.00 C ATOM 0 HA PRO A 18 -1.135 -12.507 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.468 -14.581 11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.178 -13.057 12.675 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.723 -14.002 11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.569 -13.120 12.794 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.177 -11.826 10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.236 -11.039 11.703 1.00 0.00 H new ATOM 337 N ALA A 19 -3.144 -14.445 8.943 1.00 0.00 N ATOM 338 CA ALA A 19 -3.205 -15.471 7.914 1.00 0.00 C ATOM 339 C ALA A 19 -2.663 -14.838 6.643 1.00 0.00 C ATOM 340 O ALA A 19 -1.801 -15.375 5.960 1.00 0.00 O ATOM 341 CB ALA A 19 -4.653 -15.942 7.745 1.00 0.00 C ATOM 0 H ALA A 19 -4.059 -14.152 9.287 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.615 -16.350 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.698 -16.711 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.015 -16.352 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.278 -15.098 7.453 1.00 0.00 H new ATOM 347 N SER A 20 -3.144 -13.632 6.396 1.00 0.00 N ATOM 348 CA SER A 20 -2.712 -12.710 5.381 1.00 0.00 C ATOM 349 C SER A 20 -1.183 -12.565 5.314 1.00 0.00 C ATOM 350 O SER A 20 -0.632 -12.482 4.222 1.00 0.00 O ATOM 351 CB SER A 20 -3.417 -11.384 5.679 1.00 0.00 C ATOM 352 OG SER A 20 -4.451 -11.544 6.642 1.00 0.00 O ATOM 0 H SER A 20 -3.910 -13.249 6.951 1.00 0.00 H new ATOM 0 HA SER A 20 -2.982 -13.078 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.689 -10.659 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.837 -10.980 4.758 1.00 0.00 H new ATOM 0 HG SER A 20 -5.192 -12.047 6.245 1.00 0.00 H new ATOM 358 N GLN A 21 -0.471 -12.500 6.450 1.00 0.00 N ATOM 359 CA GLN A 21 0.991 -12.437 6.393 1.00 0.00 C ATOM 360 C GLN A 21 1.509 -13.708 5.722 1.00 0.00 C ATOM 361 O GLN A 21 2.317 -13.638 4.801 1.00 0.00 O ATOM 362 CB GLN A 21 1.659 -12.270 7.772 1.00 0.00 C ATOM 363 CG GLN A 21 1.314 -11.015 8.590 1.00 0.00 C ATOM 364 CD GLN A 21 1.202 -9.740 7.759 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.104 -8.910 7.729 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.073 -9.549 7.091 1.00 0.00 N ATOM 0 H GLN A 21 -0.871 -12.490 7.388 1.00 0.00 H new ATOM 0 HA GLN A 21 1.253 -11.548 5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.405 -13.142 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.739 -12.287 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.370 -11.181 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.078 -10.872 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.666 -10.251 7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.056 -8.700 6.540 1.00 0.00 H new ATOM 375 N GLN A 22 1.023 -14.863 6.181 1.00 0.00 N ATOM 376 CA GLN A 22 1.309 -16.137 5.539 1.00 0.00 C ATOM 377 C GLN A 22 1.021 -16.027 4.038 1.00 0.00 C ATOM 378 O GLN A 22 1.896 -16.363 3.250 1.00 0.00 O ATOM 379 CB GLN A 22 0.596 -17.290 6.274 1.00 0.00 C ATOM 380 CG GLN A 22 -0.022 -18.357 5.359 1.00 0.00 C ATOM 381 CD GLN A 22 -0.734 -19.421 6.180 1.00 0.00 C ATOM 382 OE1 GLN A 22 -0.247 -20.531 6.347 1.00 0.00 O ATOM 383 NE2 GLN A 22 -1.890 -19.078 6.739 1.00 0.00 N ATOM 0 H GLN A 22 0.424 -14.936 7.003 1.00 0.00 H new ATOM 0 HA GLN A 22 2.367 -16.387 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.311 -17.773 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.191 -16.870 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.726 -17.890 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.757 -18.819 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.275 -18.146 6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.392 -19.747 7.323 1.00 0.00 H new ATOM 392 N ILE A 23 -0.147 -15.506 3.645 1.00 0.00 N ATOM 393 CA ILE A 23 -0.506 -15.334 2.238 1.00 0.00 C ATOM 394 C ILE A 23 0.601 -14.562 1.495 1.00 0.00 C ATOM 395 O ILE A 23 1.100 -15.002 0.464 1.00 0.00 O ATOM 396 CB ILE A 23 -1.895 -14.689 2.060 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.038 -15.460 2.751 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.191 -14.563 0.562 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.528 -16.697 1.994 1.00 0.00 C ATOM 0 H ILE A 23 -0.868 -15.193 4.295 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.584 -16.324 1.788 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.856 -13.713 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.703 -15.767 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.880 -14.782 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.171 -14.108 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.431 -13.939 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.182 -15.552 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.331 -17.173 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.898 -16.400 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.704 -17.400 1.873 1.00 0.00 H new ATOM 411 N LEU A 24 0.993 -13.393 2.008 1.00 0.00 N ATOM 412 CA LEU A 24 2.002 -12.544 1.377 1.00 0.00 C ATOM 413 C LEU A 24 3.302 -13.351 1.220 1.00 0.00 C ATOM 414 O LEU A 24 3.890 -13.394 0.136 1.00 0.00 O ATOM 415 CB LEU A 24 2.237 -11.310 2.270 1.00 0.00 C ATOM 416 CG LEU A 24 1.096 -10.274 2.244 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.528 -8.982 2.945 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.602 -9.965 0.834 1.00 0.00 C ATOM 0 H LEU A 24 0.617 -13.009 2.875 1.00 0.00 H new ATOM 0 HA LEU A 24 1.669 -12.214 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.384 -11.644 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.160 -10.822 1.958 1.00 0.00 H new ATOM 0 HG LEU A 24 0.260 -10.721 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.710 -8.262 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.785 -9.199 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.396 -8.565 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.201 -9.229 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.424 -9.566 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.229 -10.879 0.371 1.00 0.00 H new ATOM 430 N PHE A 25 3.756 -14.009 2.290 1.00 0.00 N ATOM 431 CA PHE A 25 4.949 -14.844 2.229 1.00 0.00 C ATOM 432 C PHE A 25 4.813 -15.927 1.157 1.00 0.00 C ATOM 433 O PHE A 25 5.720 -16.095 0.345 1.00 0.00 O ATOM 434 CB PHE A 25 5.273 -15.459 3.596 1.00 0.00 C ATOM 435 CG PHE A 25 5.793 -14.473 4.629 1.00 0.00 C ATOM 436 CD1 PHE A 25 7.001 -13.788 4.397 1.00 0.00 C ATOM 437 CD2 PHE A 25 5.141 -14.328 5.867 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.528 -12.930 5.378 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.665 -13.468 6.847 1.00 0.00 C ATOM 440 CZ PHE A 25 6.857 -12.765 6.601 1.00 0.00 C ATOM 0 H PHE A 25 3.312 -13.977 3.208 1.00 0.00 H new ATOM 0 HA PHE A 25 5.784 -14.201 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.374 -15.934 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.015 -16.246 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.525 -13.922 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.234 -14.880 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.449 -12.398 5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.152 -13.347 7.789 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.257 -12.099 7.351 1.00 0.00 H new ATOM 450 N GLN A 26 3.692 -16.643 1.124 1.00 0.00 N ATOM 451 CA GLN A 26 3.474 -17.709 0.158 1.00 0.00 C ATOM 452 C GLN A 26 3.103 -17.171 -1.229 1.00 0.00 C ATOM 453 O GLN A 26 2.826 -17.937 -2.141 1.00 0.00 O ATOM 454 CB GLN A 26 2.512 -18.769 0.707 1.00 0.00 C ATOM 455 CG GLN A 26 1.054 -18.336 0.727 1.00 0.00 C ATOM 456 CD GLN A 26 0.185 -19.309 1.515 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.645 -18.902 2.322 1.00 0.00 O ATOM 458 NE2 GLN A 26 0.388 -20.609 1.331 1.00 0.00 N ATOM 0 H GLN A 26 2.913 -16.499 1.766 1.00 0.00 H new ATOM 0 HA GLN A 26 4.421 -18.225 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.603 -19.673 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.816 -19.030 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.976 -17.342 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.683 -18.263 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.083 -20.926 0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.151 -21.290 1.866 1.00 0.00 H new ATOM 467 N ALA A 27 3.135 -15.858 -1.445 1.00 0.00 N ATOM 468 CA ALA A 27 3.237 -15.317 -2.789 1.00 0.00 C ATOM 469 C ALA A 27 4.720 -15.229 -3.132 1.00 0.00 C ATOM 470 O ALA A 27 5.170 -15.696 -4.179 1.00 0.00 O ATOM 471 CB ALA A 27 2.568 -13.952 -2.845 1.00 0.00 C ATOM 0 H ALA A 27 3.092 -15.155 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 27 2.731 -15.954 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.647 -13.549 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.517 -14.051 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.061 -13.276 -2.146 1.00 0.00 H new ATOM 477 N TYR A 28 5.483 -14.653 -2.199 1.00 0.00 N ATOM 478 CA TYR A 28 6.935 -14.592 -2.242 1.00 0.00 C ATOM 479 C TYR A 28 7.533 -15.979 -2.533 1.00 0.00 C ATOM 480 O TYR A 28 8.511 -16.070 -3.279 1.00 0.00 O ATOM 481 CB TYR A 28 7.472 -13.981 -0.929 1.00 0.00 C ATOM 482 CG TYR A 28 8.320 -12.728 -1.067 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.766 -11.567 -1.630 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.587 -12.670 -0.457 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.483 -10.357 -1.606 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.286 -11.452 -0.396 1.00 0.00 C ATOM 487 CZ TYR A 28 9.734 -10.299 -0.971 1.00 0.00 C ATOM 488 OH TYR A 28 10.405 -9.112 -0.890 1.00 0.00 O ATOM 0 H TYR A 28 5.090 -14.205 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 28 7.246 -13.942 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.622 -13.750 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.063 -14.739 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.786 -11.603 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.023 -13.563 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.072 -9.475 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.248 -11.405 0.093 1.00 0.00 H new ATOM 0 HH TYR A 28 11.361 -9.266 -1.041 1.00 0.00 H new ATOM 498 N GLU A 29 6.976 -17.061 -1.978 1.00 0.00 N ATOM 499 CA GLU A 29 7.453 -18.409 -2.273 1.00 0.00 C ATOM 500 C GLU A 29 7.487 -18.613 -3.795 1.00 0.00 C ATOM 501 O GLU A 29 8.535 -18.937 -4.357 1.00 0.00 O ATOM 502 CB GLU A 29 6.651 -19.488 -1.510 1.00 0.00 C ATOM 503 CG GLU A 29 5.370 -19.941 -2.227 1.00 0.00 C ATOM 504 CD GLU A 29 4.388 -20.739 -1.381 1.00 0.00 C ATOM 505 OE1 GLU A 29 4.740 -21.032 -0.224 1.00 0.00 O ATOM 506 OE2 GLU A 29 3.272 -20.993 -1.899 1.00 0.00 O ATOM 0 H GLU A 29 6.195 -17.026 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 29 8.473 -18.524 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.291 -20.356 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.386 -19.101 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.858 -19.058 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.652 -20.545 -3.090 1.00 0.00 H new ATOM 513 N ARG A 30 6.383 -18.298 -4.476 1.00 0.00 N ATOM 514 CA ARG A 30 6.188 -18.549 -5.889 1.00 0.00 C ATOM 515 C ARG A 30 7.006 -17.512 -6.645 1.00 0.00 C ATOM 516 O ARG A 30 8.107 -17.788 -7.124 1.00 0.00 O ATOM 517 CB ARG A 30 4.686 -18.468 -6.238 1.00 0.00 C ATOM 518 CG ARG A 30 3.872 -19.589 -5.568 1.00 0.00 C ATOM 519 CD ARG A 30 2.441 -19.164 -5.195 1.00 0.00 C ATOM 520 NE ARG A 30 1.970 -19.894 -4.004 1.00 0.00 N ATOM 521 CZ ARG A 30 0.832 -19.641 -3.339 1.00 0.00 C ATOM 522 NH1 ARG A 30 -0.083 -18.827 -3.863 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.634 -20.202 -2.152 1.00 0.00 N ATOM 0 H ARG A 30 5.580 -17.847 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 30 6.519 -19.549 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.294 -17.500 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.562 -18.528 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.825 -20.446 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.392 -19.918 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.414 -18.091 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.770 -19.355 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 30 2.557 -20.653 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.080 -18.394 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.947 -18.637 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.343 -20.818 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.227 -20.017 -1.638 1.00 0.00 H new ATOM 537 N GLN A 31 6.521 -16.278 -6.705 1.00 0.00 N ATOM 538 CA GLN A 31 6.951 -15.314 -7.704 1.00 0.00 C ATOM 539 C GLN A 31 7.367 -14.007 -7.035 1.00 0.00 C ATOM 540 O GLN A 31 6.748 -13.548 -6.083 1.00 0.00 O ATOM 541 CB GLN A 31 5.836 -15.171 -8.743 1.00 0.00 C ATOM 542 CG GLN A 31 6.059 -14.024 -9.734 1.00 0.00 C ATOM 543 CD GLN A 31 5.226 -14.224 -10.995 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.685 -14.842 -11.945 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.993 -13.741 -11.026 1.00 0.00 N ATOM 0 H GLN A 31 5.817 -15.919 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 31 7.841 -15.653 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.746 -16.105 -9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.889 -15.014 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.794 -13.076 -9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.115 -13.965 -9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.626 -13.228 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.411 -13.882 -11.851 1.00 0.00 H new ATOM 554 N LYS A 32 8.485 -13.450 -7.505 1.00 0.00 N ATOM 555 CA LYS A 32 9.111 -12.251 -6.958 1.00 0.00 C ATOM 556 C LYS A 32 8.981 -11.069 -7.931 1.00 0.00 C ATOM 557 O LYS A 32 9.431 -9.968 -7.624 1.00 0.00 O ATOM 558 CB LYS A 32 10.599 -12.558 -6.684 1.00 0.00 C ATOM 559 CG LYS A 32 10.890 -13.137 -5.290 1.00 0.00 C ATOM 560 CD LYS A 32 10.212 -14.470 -4.941 1.00 0.00 C ATOM 561 CE LYS A 32 10.755 -15.696 -5.700 1.00 0.00 C ATOM 562 NZ LYS A 32 10.020 -16.937 -5.358 1.00 0.00 N ATOM 0 H LYS A 32 8.993 -13.835 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 32 8.609 -11.971 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.955 -13.262 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.174 -11.640 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.968 -13.268 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.592 -12.399 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.321 -14.647 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.144 -14.381 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.684 -15.518 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.812 -15.826 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.697 -17.676 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.370 -16.749 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.477 -17.258 -6.185 1.00 0.00 H new ATOM 576 N ASN A 33 8.427 -11.275 -9.126 1.00 0.00 N ATOM 577 CA ASN A 33 8.157 -10.219 -10.100 1.00 0.00 C ATOM 578 C ASN A 33 6.682 -10.367 -10.444 1.00 0.00 C ATOM 579 O ASN A 33 6.341 -11.347 -11.104 1.00 0.00 O ATOM 580 CB ASN A 33 9.030 -10.395 -11.353 1.00 0.00 C ATOM 581 CG ASN A 33 10.344 -9.616 -11.298 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.845 -9.168 -12.321 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.921 -9.409 -10.118 1.00 0.00 N ATOM 0 H ASN A 33 8.148 -12.201 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 33 8.386 -9.230 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.251 -11.454 -11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.464 -10.075 -12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.787 -8.874 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.497 -9.786 -9.270 1.00 0.00 H new ATOM 590 N PRO A 34 5.802 -9.504 -9.918 1.00 0.00 N ATOM 591 CA PRO A 34 4.386 -9.803 -9.891 1.00 0.00 C ATOM 592 C PRO A 34 3.785 -9.650 -11.293 1.00 0.00 C ATOM 593 O PRO A 34 3.556 -8.527 -11.745 1.00 0.00 O ATOM 594 CB PRO A 34 3.786 -8.847 -8.856 1.00 0.00 C ATOM 595 CG PRO A 34 4.740 -7.654 -8.864 1.00 0.00 C ATOM 596 CD PRO A 34 6.093 -8.316 -9.131 1.00 0.00 C ATOM 0 HA PRO A 34 4.171 -10.833 -9.606 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.773 -8.550 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.731 -9.308 -7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.481 -6.932 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.730 -7.119 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.759 -7.642 -9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.592 -8.577 -8.198 1.00 0.00 H new ATOM 604 N SER A 35 3.571 -10.756 -12.006 1.00 0.00 N ATOM 605 CA SER A 35 3.345 -10.738 -13.442 1.00 0.00 C ATOM 606 C SER A 35 1.846 -10.602 -13.714 1.00 0.00 C ATOM 607 O SER A 35 1.347 -9.474 -13.798 1.00 0.00 O ATOM 608 CB SER A 35 4.029 -11.956 -14.067 1.00 0.00 C ATOM 609 OG SER A 35 5.414 -11.894 -13.773 1.00 0.00 O ATOM 0 H SER A 35 3.550 -11.690 -11.598 1.00 0.00 H new ATOM 0 HA SER A 35 3.799 -9.873 -13.925 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.599 -12.876 -13.672 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.871 -11.967 -15.145 1.00 0.00 H new ATOM 0 HG SER A 35 5.538 -11.697 -12.821 1.00 0.00 H new ATOM 615 N LYS A 36 1.100 -11.708 -13.797 1.00 0.00 N ATOM 616 CA LYS A 36 -0.336 -11.638 -13.598 1.00 0.00 C ATOM 617 C LYS A 36 -0.839 -12.641 -12.571 1.00 0.00 C ATOM 618 O LYS A 36 -0.798 -12.280 -11.400 1.00 0.00 O ATOM 619 CB LYS A 36 -1.180 -11.372 -14.848 1.00 0.00 C ATOM 620 CG LYS A 36 -1.049 -12.267 -16.085 1.00 0.00 C ATOM 621 CD LYS A 36 -2.197 -11.927 -17.064 1.00 0.00 C ATOM 622 CE LYS A 36 -3.509 -12.729 -16.891 1.00 0.00 C ATOM 623 NZ LYS A 36 -3.983 -12.855 -15.496 1.00 0.00 N ATOM 0 H LYS A 36 1.464 -12.640 -13.997 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.528 -10.686 -13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.226 -11.400 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.969 -10.351 -15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.083 -12.110 -16.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.095 -13.318 -15.798 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.429 -10.867 -16.963 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.835 -12.079 -18.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.290 -12.252 -17.483 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.364 -13.728 -17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.728 -13.579 -15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.190 -13.133 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.365 -11.942 -15.175 1.00 0.00 H new ATOM 637 N GLU A 37 -1.295 -13.836 -12.964 1.00 0.00 N ATOM 638 CA GLU A 37 -2.150 -14.725 -12.212 1.00 0.00 C ATOM 639 C GLU A 37 -1.788 -14.664 -10.732 1.00 0.00 C ATOM 640 O GLU A 37 -2.605 -14.193 -9.963 1.00 0.00 O ATOM 641 CB GLU A 37 -1.929 -16.106 -12.845 1.00 0.00 C ATOM 642 CG GLU A 37 -3.203 -16.580 -13.550 1.00 0.00 C ATOM 643 CD GLU A 37 -3.505 -15.608 -14.672 1.00 0.00 C ATOM 644 OE1 GLU A 37 -2.533 -14.992 -15.161 1.00 0.00 O ATOM 645 OE2 GLU A 37 -4.681 -15.285 -14.925 1.00 0.00 O ATOM 0 H GLU A 37 -1.053 -14.221 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.206 -14.460 -12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.107 -16.058 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.643 -16.824 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.068 -17.587 -13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.035 -16.621 -12.847 1.00 0.00 H new ATOM 652 N GLU A 38 -0.545 -15.006 -10.382 1.00 0.00 N ATOM 653 CA GLU A 38 0.103 -14.756 -9.097 1.00 0.00 C ATOM 654 C GLU A 38 -0.626 -13.737 -8.218 1.00 0.00 C ATOM 655 O GLU A 38 -1.102 -14.077 -7.143 1.00 0.00 O ATOM 656 CB GLU A 38 1.542 -14.294 -9.411 1.00 0.00 C ATOM 657 CG GLU A 38 2.248 -13.465 -8.315 1.00 0.00 C ATOM 658 CD GLU A 38 2.162 -11.964 -8.544 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.085 -11.574 -9.730 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.221 -11.217 -7.549 1.00 0.00 O ATOM 0 H GLU A 38 0.072 -15.495 -11.031 1.00 0.00 H new ATOM 0 HA GLU A 38 0.089 -15.674 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.148 -15.177 -9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.520 -13.703 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.806 -13.703 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.297 -13.758 -8.267 1.00 0.00 H new ATOM 667 N ARG A 39 -0.666 -12.490 -8.660 1.00 0.00 N ATOM 668 CA ARG A 39 -1.149 -11.349 -7.906 1.00 0.00 C ATOM 669 C ARG A 39 -2.660 -11.397 -7.771 1.00 0.00 C ATOM 670 O ARG A 39 -3.231 -11.093 -6.728 1.00 0.00 O ATOM 671 CB ARG A 39 -0.728 -10.095 -8.677 1.00 0.00 C ATOM 672 CG ARG A 39 -1.423 -8.802 -8.236 1.00 0.00 C ATOM 673 CD ARG A 39 -1.163 -7.689 -9.251 1.00 0.00 C ATOM 674 NE ARG A 39 -1.525 -8.138 -10.609 1.00 0.00 N ATOM 675 CZ ARG A 39 -0.669 -8.313 -11.626 1.00 0.00 C ATOM 676 NH1 ARG A 39 0.643 -8.401 -11.387 1.00 0.00 N ATOM 677 NH2 ARG A 39 -1.127 -8.400 -12.870 1.00 0.00 N ATOM 0 H ARG A 39 -0.348 -12.237 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.731 -11.350 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.349 -9.966 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.927 -10.254 -9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.495 -8.972 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.058 -8.501 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.742 -6.804 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.112 -7.401 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.510 -8.332 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.993 -8.335 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.294 -8.534 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.129 -8.334 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.477 -8.533 -13.645 1.00 0.00 H new ATOM 691 N GLU A 40 -3.296 -11.676 -8.890 1.00 0.00 N ATOM 692 CA GLU A 40 -4.715 -11.748 -9.081 1.00 0.00 C ATOM 693 C GLU A 40 -5.291 -12.836 -8.154 1.00 0.00 C ATOM 694 O GLU A 40 -6.145 -12.569 -7.306 1.00 0.00 O ATOM 695 CB GLU A 40 -4.988 -11.695 -10.603 1.00 0.00 C ATOM 696 CG GLU A 40 -3.775 -11.402 -11.538 1.00 0.00 C ATOM 697 CD GLU A 40 -4.039 -10.435 -12.677 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.490 -10.905 -13.742 1.00 0.00 O ATOM 699 OE2 GLU A 40 -3.621 -9.262 -12.523 1.00 0.00 O ATOM 0 H GLU A 40 -2.787 -11.872 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.313 -10.902 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.421 -12.650 -10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.745 -10.932 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.960 -11.006 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.429 -12.346 -11.960 1.00 0.00 H new ATOM 706 N THR A 41 -4.677 -14.009 -8.222 1.00 0.00 N ATOM 707 CA THR A 41 -4.676 -15.068 -7.232 1.00 0.00 C ATOM 708 C THR A 41 -4.472 -14.476 -5.839 1.00 0.00 C ATOM 709 O THR A 41 -5.306 -14.677 -4.970 1.00 0.00 O ATOM 710 CB THR A 41 -3.580 -16.085 -7.596 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.057 -16.983 -8.579 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.977 -16.840 -6.411 1.00 0.00 C ATOM 0 H THR A 41 -4.122 -14.261 -9.040 1.00 0.00 H new ATOM 0 HA THR A 41 -5.635 -15.587 -7.224 1.00 0.00 H new ATOM 0 HB THR A 41 -2.754 -15.495 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.352 -17.625 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.215 -17.532 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.525 -16.130 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.761 -17.397 -5.898 1.00 0.00 H new ATOM 720 N LEU A 42 -3.376 -13.760 -5.609 1.00 0.00 N ATOM 721 CA LEU A 42 -2.985 -13.306 -4.279 1.00 0.00 C ATOM 722 C LEU A 42 -4.140 -12.555 -3.623 1.00 0.00 C ATOM 723 O LEU A 42 -4.481 -12.805 -2.471 1.00 0.00 O ATOM 724 CB LEU A 42 -1.736 -12.419 -4.371 1.00 0.00 C ATOM 725 CG LEU A 42 -0.781 -12.536 -3.182 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.474 -11.719 -3.503 1.00 0.00 C ATOM 727 CD2 LEU A 42 -1.380 -12.057 -1.864 1.00 0.00 C ATOM 0 H LEU A 42 -2.730 -13.477 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.744 -14.171 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.193 -12.672 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.051 -11.380 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.555 -13.593 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.174 -11.785 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.944 -12.113 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.198 -10.677 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.645 -12.171 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.661 -11.007 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.264 -12.650 -1.629 1.00 0.00 H new ATOM 739 N VAL A 43 -4.749 -11.620 -4.352 1.00 0.00 N ATOM 740 CA VAL A 43 -5.896 -10.892 -3.843 1.00 0.00 C ATOM 741 C VAL A 43 -6.992 -11.878 -3.416 1.00 0.00 C ATOM 742 O VAL A 43 -7.519 -11.742 -2.314 1.00 0.00 O ATOM 743 CB VAL A 43 -6.391 -9.843 -4.856 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.564 -9.057 -4.257 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.302 -8.822 -5.198 1.00 0.00 C ATOM 0 H VAL A 43 -4.463 -11.354 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.599 -10.330 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.683 -10.386 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.911 -8.316 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.378 -9.742 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.238 -8.554 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.692 -8.100 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.993 -8.302 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.444 -9.336 -5.631 1.00 0.00 H new ATOM 755 N GLU A 44 -7.332 -12.848 -4.263 1.00 0.00 N ATOM 756 CA GLU A 44 -8.319 -13.874 -3.952 1.00 0.00 C ATOM 757 C GLU A 44 -7.903 -14.660 -2.702 1.00 0.00 C ATOM 758 O GLU A 44 -8.570 -14.548 -1.677 1.00 0.00 O ATOM 759 CB GLU A 44 -8.534 -14.748 -5.195 1.00 0.00 C ATOM 760 CG GLU A 44 -9.329 -16.036 -4.954 1.00 0.00 C ATOM 761 CD GLU A 44 -10.604 -15.797 -4.162 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.437 -14.998 -4.628 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.739 -16.475 -3.121 1.00 0.00 O ATOM 0 H GLU A 44 -6.924 -12.942 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.281 -13.425 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.050 -14.157 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.560 -15.012 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.581 -16.488 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.703 -16.751 -4.420 1.00 0.00 H new ATOM 770 N GLU A 45 -6.793 -15.406 -2.767 1.00 0.00 N ATOM 771 CA GLU A 45 -6.163 -16.138 -1.665 1.00 0.00 C ATOM 772 C GLU A 45 -6.322 -15.337 -0.366 1.00 0.00 C ATOM 773 O GLU A 45 -6.815 -15.831 0.653 1.00 0.00 O ATOM 774 CB GLU A 45 -4.668 -16.394 -1.996 1.00 0.00 C ATOM 775 CG GLU A 45 -4.227 -17.873 -1.959 1.00 0.00 C ATOM 776 CD GLU A 45 -2.769 -18.056 -2.388 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.336 -17.366 -3.331 1.00 0.00 O ATOM 778 OE2 GLU A 45 -2.048 -18.918 -1.833 1.00 0.00 O ATOM 0 H GLU A 45 -6.282 -15.520 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.648 -17.105 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.459 -15.995 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.056 -15.832 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.358 -18.264 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.872 -18.459 -2.614 1.00 0.00 H new ATOM 785 N CYS A 46 -5.936 -14.064 -0.427 1.00 0.00 N ATOM 786 CA CYS A 46 -5.981 -13.193 0.735 1.00 0.00 C ATOM 787 C CYS A 46 -7.413 -12.959 1.184 1.00 0.00 C ATOM 788 O CYS A 46 -7.729 -13.109 2.357 1.00 0.00 O ATOM 789 CB CYS A 46 -5.342 -11.830 0.480 1.00 0.00 C ATOM 790 SG CYS A 46 -4.996 -11.139 2.119 1.00 0.00 S ATOM 0 H CYS A 46 -5.588 -13.616 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.412 -13.709 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.427 -11.929 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.013 -11.182 -0.085 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.142 -10.165 2.008 1.00 0.00 H new ATOM 796 N ASN A 47 -8.283 -12.547 0.262 1.00 0.00 N ATOM 797 CA ASN A 47 -9.686 -12.257 0.540 1.00 0.00 C ATOM 798 C ASN A 47 -10.341 -13.467 1.193 1.00 0.00 C ATOM 799 O ASN A 47 -11.073 -13.317 2.165 1.00 0.00 O ATOM 800 CB ASN A 47 -10.452 -11.841 -0.727 1.00 0.00 C ATOM 801 CG ASN A 47 -10.448 -10.331 -0.938 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.388 -9.636 -0.567 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.389 -9.792 -1.521 1.00 0.00 N ATOM 0 H ASN A 47 -8.026 -12.404 -0.715 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.725 -11.411 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.006 -12.328 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.481 -12.193 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.346 -8.784 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.616 -10.385 -1.823 1.00 0.00 H new ATOM 810 N ARG A 48 -10.053 -14.670 0.705 1.00 0.00 N ATOM 811 CA ARG A 48 -10.450 -15.922 1.312 1.00 0.00 C ATOM 812 C ARG A 48 -10.004 -15.925 2.778 1.00 0.00 C ATOM 813 O ARG A 48 -10.828 -15.991 3.692 1.00 0.00 O ATOM 814 CB ARG A 48 -9.811 -17.065 0.505 1.00 0.00 C ATOM 815 CG ARG A 48 -10.868 -17.952 -0.153 1.00 0.00 C ATOM 816 CD ARG A 48 -10.164 -18.988 -1.035 1.00 0.00 C ATOM 817 NE ARG A 48 -11.133 -19.882 -1.688 1.00 0.00 N ATOM 818 CZ ARG A 48 -11.397 -19.935 -3.006 1.00 0.00 C ATOM 819 NH1 ARG A 48 -10.945 -18.994 -3.828 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.119 -20.948 -3.495 1.00 0.00 N ATOM 0 H ARG A 48 -9.518 -14.797 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.532 -16.055 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.157 -16.648 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.186 -17.670 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.469 -18.450 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.549 -17.347 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.568 -18.479 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.475 -19.576 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.653 -20.521 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.391 -18.220 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.152 -19.046 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.466 -21.675 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.323 -20.994 -4.493 1.00 0.00 H new ATOM 834 N ALA A 49 -8.697 -15.828 3.010 1.00 0.00 N ATOM 835 CA ALA A 49 -8.136 -15.867 4.355 1.00 0.00 C ATOM 836 C ALA A 49 -8.676 -14.751 5.256 1.00 0.00 C ATOM 837 O ALA A 49 -8.711 -14.906 6.478 1.00 0.00 O ATOM 838 CB ALA A 49 -6.612 -15.806 4.276 1.00 0.00 C ATOM 0 H ALA A 49 -8.000 -15.721 2.273 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.444 -16.807 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.194 -15.835 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.243 -16.658 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.310 -14.881 3.784 1.00 0.00 H new ATOM 844 N GLU A 50 -9.079 -13.619 4.680 1.00 0.00 N ATOM 845 CA GLU A 50 -9.542 -12.476 5.441 1.00 0.00 C ATOM 846 C GLU A 50 -11.011 -12.700 5.806 1.00 0.00 C ATOM 847 O GLU A 50 -11.414 -12.524 6.955 1.00 0.00 O ATOM 848 CB GLU A 50 -9.292 -11.190 4.635 1.00 0.00 C ATOM 849 CG GLU A 50 -8.691 -10.043 5.458 1.00 0.00 C ATOM 850 CD GLU A 50 -7.242 -10.316 5.815 1.00 0.00 C ATOM 851 OE1 GLU A 50 -6.380 -10.329 4.917 1.00 0.00 O ATOM 852 OE2 GLU A 50 -6.984 -10.494 7.023 1.00 0.00 O ATOM 0 H GLU A 50 -9.091 -13.476 3.670 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.991 -12.362 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.622 -11.418 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.235 -10.857 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.759 -9.114 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.272 -9.905 6.370 1.00 0.00 H new ATOM 859 N CYS A 51 -11.830 -13.096 4.834 1.00 0.00 N ATOM 860 CA CYS A 51 -13.261 -13.321 5.022 1.00 0.00 C ATOM 861 C CYS A 51 -13.518 -14.375 6.092 1.00 0.00 C ATOM 862 O CYS A 51 -14.463 -14.237 6.869 1.00 0.00 O ATOM 863 CB CYS A 51 -13.978 -13.652 3.706 1.00 0.00 C ATOM 864 SG CYS A 51 -14.036 -15.428 3.374 1.00 0.00 S ATOM 0 H CYS A 51 -11.514 -13.272 3.880 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.689 -12.383 5.376 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.994 -13.259 3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.470 -13.149 2.883 1.00 0.00 H new ATOM 0 HG CYS A 51 -12.835 -15.921 3.439 1.00 0.00 H new ATOM 870 N ILE A 52 -12.619 -15.353 6.220 1.00 0.00 N ATOM 871 CA ILE A 52 -12.726 -16.411 7.206 1.00 0.00 C ATOM 872 C ILE A 52 -12.644 -15.769 8.590 1.00 0.00 C ATOM 873 O ILE A 52 -13.443 -16.075 9.471 1.00 0.00 O ATOM 874 CB ILE A 52 -11.616 -17.448 6.932 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.043 -18.313 5.731 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.313 -18.330 8.152 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.911 -19.184 5.177 1.00 0.00 C ATOM 0 H ILE A 52 -11.789 -15.426 5.631 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.674 -16.946 7.152 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.693 -16.912 6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.872 -18.954 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.413 -17.663 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.525 -19.040 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.986 -17.703 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.213 -18.874 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.280 -19.767 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.090 -18.547 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.556 -19.858 5.956 1.00 0.00 H new ATOM 889 N GLN A 53 -11.743 -14.798 8.762 1.00 0.00 N ATOM 890 CA GLN A 53 -11.607 -14.084 10.029 1.00 0.00 C ATOM 891 C GLN A 53 -12.908 -13.376 10.426 1.00 0.00 C ATOM 892 O GLN A 53 -13.070 -13.005 11.592 1.00 0.00 O ATOM 893 CB GLN A 53 -10.473 -13.049 9.976 1.00 0.00 C ATOM 894 CG GLN A 53 -9.101 -13.649 9.651 1.00 0.00 C ATOM 895 CD GLN A 53 -8.132 -12.567 9.182 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.159 -11.435 9.673 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.291 -12.884 8.211 1.00 0.00 N ATOM 0 H GLN A 53 -11.096 -14.490 8.036 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.370 -14.838 10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.716 -12.296 9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.417 -12.537 10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.698 -14.146 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.206 -14.409 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.291 -13.828 7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.643 -12.185 7.849 1.00 0.00 H new ATOM 906 N ARG A 54 -13.801 -13.089 9.475 1.00 0.00 N ATOM 907 CA ARG A 54 -15.072 -12.434 9.741 1.00 0.00 C ATOM 908 C ARG A 54 -16.271 -13.364 9.537 1.00 0.00 C ATOM 909 O ARG A 54 -17.394 -12.900 9.715 1.00 0.00 O ATOM 910 CB ARG A 54 -15.199 -11.168 8.879 1.00 0.00 C ATOM 911 CG ARG A 54 -14.016 -10.186 8.970 1.00 0.00 C ATOM 912 CD ARG A 54 -13.553 -9.839 10.396 1.00 0.00 C ATOM 913 NE ARG A 54 -14.657 -9.411 11.281 1.00 0.00 N ATOM 914 CZ ARG A 54 -14.960 -9.917 12.495 1.00 0.00 C ATOM 915 NH1 ARG A 54 -14.392 -11.037 12.955 1.00 0.00 N ATOM 916 NH2 ARG A 54 -15.842 -9.288 13.271 1.00 0.00 N ATOM 0 H ARG A 54 -13.654 -13.310 8.490 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.082 -12.153 10.794 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.321 -11.468 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.109 -10.642 9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.172 -10.609 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.293 -9.262 8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.063 -10.709 10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.808 -9.045 10.346 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.251 -8.656 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.709 -11.534 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.642 -11.394 13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.285 -8.428 12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.074 -9.666 14.189 1.00 0.00 H new ATOM 930 N GLY A 55 -16.064 -14.631 9.170 1.00 0.00 N ATOM 931 CA GLY A 55 -17.153 -15.515 8.776 1.00 0.00 C ATOM 932 C GLY A 55 -18.019 -14.878 7.687 1.00 0.00 C ATOM 933 O GLY A 55 -19.236 -15.042 7.683 1.00 0.00 O ATOM 0 H GLY A 55 -15.142 -15.066 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.745 -16.459 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.769 -15.746 9.645 1.00 0.00 H new ATOM 937 N VAL A 56 -17.399 -14.132 6.771 1.00 0.00 N ATOM 938 CA VAL A 56 -18.102 -13.559 5.635 1.00 0.00 C ATOM 939 C VAL A 56 -18.230 -14.642 4.563 1.00 0.00 C ATOM 940 O VAL A 56 -17.384 -15.528 4.455 1.00 0.00 O ATOM 941 CB VAL A 56 -17.384 -12.278 5.172 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.706 -11.873 3.731 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.793 -11.107 6.065 1.00 0.00 C ATOM 0 H VAL A 56 -16.403 -13.913 6.800 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.113 -13.243 5.892 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.319 -12.502 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.163 -10.962 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.408 -12.673 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.777 -11.695 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -17.283 -10.202 5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.871 -10.960 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.517 -11.323 7.097 1.00 0.00 H new ATOM 953 N SER A 57 -19.308 -14.577 3.782 1.00 0.00 N ATOM 954 CA SER A 57 -19.611 -15.552 2.751 1.00 0.00 C ATOM 955 C SER A 57 -18.451 -15.602 1.751 1.00 0.00 C ATOM 956 O SER A 57 -17.981 -14.536 1.359 1.00 0.00 O ATOM 957 CB SER A 57 -20.913 -15.136 2.058 1.00 0.00 C ATOM 958 OG SER A 57 -21.926 -16.087 2.320 1.00 0.00 O ATOM 0 H SER A 57 -20.001 -13.832 3.854 1.00 0.00 H new ATOM 0 HA SER A 57 -19.738 -16.546 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.225 -14.153 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.752 -15.051 0.983 1.00 0.00 H new ATOM 0 HG SER A 57 -22.755 -15.813 1.875 1.00 0.00 H new ATOM 964 N PRO A 58 -18.018 -16.782 1.283 1.00 0.00 N ATOM 965 CA PRO A 58 -16.941 -16.882 0.309 1.00 0.00 C ATOM 966 C PRO A 58 -17.304 -16.106 -0.956 1.00 0.00 C ATOM 967 O PRO A 58 -16.551 -15.258 -1.427 1.00 0.00 O ATOM 968 CB PRO A 58 -16.743 -18.381 0.059 1.00 0.00 C ATOM 969 CG PRO A 58 -18.080 -19.011 0.461 1.00 0.00 C ATOM 970 CD PRO A 58 -18.592 -18.087 1.568 1.00 0.00 C ATOM 0 HA PRO A 58 -16.009 -16.441 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.506 -18.582 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.921 -18.778 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.773 -19.053 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.951 -20.033 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.681 -18.044 1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.285 -18.445 2.551 1.00 0.00 H new ATOM 978 N SER A 59 -18.521 -16.321 -1.447 1.00 0.00 N ATOM 979 CA SER A 59 -19.106 -15.618 -2.580 1.00 0.00 C ATOM 980 C SER A 59 -19.372 -14.132 -2.291 1.00 0.00 C ATOM 981 O SER A 59 -20.009 -13.444 -3.088 1.00 0.00 O ATOM 982 CB SER A 59 -20.392 -16.363 -2.955 1.00 0.00 C ATOM 983 OG SER A 59 -21.015 -16.860 -1.776 1.00 0.00 O ATOM 0 H SER A 59 -19.150 -17.018 -1.049 1.00 0.00 H new ATOM 0 HA SER A 59 -18.402 -15.616 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.071 -15.694 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.164 -17.186 -3.633 1.00 0.00 H new ATOM 0 HG SER A 59 -21.838 -17.335 -2.016 1.00 0.00 H new ATOM 989 N GLN A 60 -18.909 -13.612 -1.158 1.00 0.00 N ATOM 990 CA GLN A 60 -18.868 -12.194 -0.897 1.00 0.00 C ATOM 991 C GLN A 60 -17.657 -11.919 -0.011 1.00 0.00 C ATOM 992 O GLN A 60 -17.749 -11.093 0.895 1.00 0.00 O ATOM 993 CB GLN A 60 -20.197 -11.767 -0.248 1.00 0.00 C ATOM 994 CG GLN A 60 -20.477 -10.260 -0.364 1.00 0.00 C ATOM 995 CD GLN A 60 -20.681 -9.736 -1.786 1.00 0.00 C ATOM 996 OE1 GLN A 60 -20.726 -8.524 -1.984 1.00 0.00 O ATOM 997 NE2 GLN A 60 -20.819 -10.598 -2.789 1.00 0.00 N ATOM 0 H GLN A 60 -18.549 -14.180 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.759 -11.610 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -21.014 -12.318 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.185 -12.047 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.367 -10.027 0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -19.647 -9.718 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -20.779 -11.601 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.965 -10.256 -3.739 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.522 -12.588 -0.252 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.355 -12.397 0.600 1.00 0.00 C ATOM 1008 C ALA A 61 -14.929 -10.936 0.600 1.00 0.00 C ATOM 1009 O ALA A 61 -14.483 -10.417 1.616 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.202 -13.294 0.132 1.00 0.00 C ATOM 0 H ALA A 61 -16.393 -13.252 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.620 -12.677 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.337 -13.141 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.511 -14.338 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.938 -13.041 -0.895 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.228 -10.209 -0.471 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.867 -8.810 -0.578 1.00 0.00 C ATOM 1018 C GLN A 62 -15.692 -7.941 0.399 1.00 0.00 C ATOM 1019 O GLN A 62 -15.324 -6.808 0.716 1.00 0.00 O ATOM 1020 CB GLN A 62 -14.868 -8.399 -2.068 1.00 0.00 C ATOM 1021 CG GLN A 62 -15.972 -7.445 -2.519 1.00 0.00 C ATOM 1022 CD GLN A 62 -17.365 -7.953 -2.190 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -17.588 -9.146 -2.012 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -18.301 -7.027 -2.056 1.00 0.00 N ATOM 0 H GLN A 62 -15.725 -10.575 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.846 -8.631 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.907 -7.937 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.935 -9.305 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.823 -6.475 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.893 -7.289 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.073 -6.045 -2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.250 -7.295 -1.795 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.801 -8.476 0.916 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.648 -7.878 1.941 1.00 0.00 C ATOM 1035 C GLY A 63 -16.864 -7.390 3.163 1.00 0.00 C ATOM 1036 O GLY A 63 -17.339 -6.516 3.885 1.00 0.00 O ATOM 0 H GLY A 63 -17.147 -9.386 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.193 -7.039 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.390 -8.609 2.262 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.647 -7.909 3.370 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.600 -7.327 4.208 1.00 0.00 C ATOM 1042 C LEU A 64 -14.672 -5.807 4.316 1.00 0.00 C ATOM 1043 O LEU A 64 -14.424 -5.265 5.397 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.237 -7.695 3.626 1.00 0.00 C ATOM 1045 CG LEU A 64 -12.930 -9.176 3.836 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -11.931 -9.616 2.758 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.363 -9.403 5.233 1.00 0.00 C ATOM 0 H LEU A 64 -15.356 -8.785 2.937 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.746 -7.732 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.219 -7.464 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.462 -7.090 4.096 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.841 -9.768 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.697 -10.672 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.368 -9.460 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.017 -9.028 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.148 -10.463 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.444 -8.828 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.091 -9.081 5.978 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.906 -5.134 3.186 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.292 -3.733 3.106 1.00 0.00 C ATOM 1061 C GLY A 65 -14.312 -2.810 3.821 1.00 0.00 C ATOM 1062 O GLY A 65 -13.394 -2.277 3.196 1.00 0.00 O ATOM 0 H GLY A 65 -14.827 -5.573 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.363 -3.439 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.284 -3.609 3.540 1.00 0.00 H new ATOM 1066 N SER A 66 -14.507 -2.636 5.131 1.00 0.00 N ATOM 1067 CA SER A 66 -13.665 -1.898 6.040 1.00 0.00 C ATOM 1068 C SER A 66 -12.194 -2.140 5.708 1.00 0.00 C ATOM 1069 O SER A 66 -11.435 -1.196 5.488 1.00 0.00 O ATOM 1070 CB SER A 66 -13.989 -2.378 7.460 1.00 0.00 C ATOM 1071 OG SER A 66 -14.781 -1.426 8.143 1.00 0.00 O ATOM 0 H SER A 66 -15.316 -3.040 5.604 1.00 0.00 H new ATOM 0 HA SER A 66 -13.848 -0.827 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.516 -3.331 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.064 -2.550 8.010 1.00 0.00 H new ATOM 0 HG SER A 66 -14.978 -1.752 9.046 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.815 -3.418 5.686 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.459 -3.879 5.446 1.00 0.00 C ATOM 1079 C ASN A 67 -10.379 -4.679 4.150 1.00 0.00 C ATOM 1080 O ASN A 67 -9.662 -5.668 4.075 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.938 -4.642 6.676 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.345 -6.110 6.833 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.539 -6.930 7.272 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -11.602 -6.467 6.590 1.00 0.00 N ATOM 0 H ASN A 67 -12.472 -4.183 5.841 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.799 -3.023 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.849 -4.596 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.268 -4.106 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.903 -7.425 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.265 -5.783 6.226 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.112 -4.252 3.117 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.073 -4.945 1.838 1.00 0.00 C ATOM 1093 C LEU A 68 -9.682 -4.861 1.212 1.00 0.00 C ATOM 1094 O LEU A 68 -9.207 -3.786 0.837 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.175 -4.447 0.901 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.174 -5.144 -0.470 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.068 -6.663 -0.355 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -13.452 -4.784 -1.250 1.00 0.00 C ATOM 0 H LEU A 68 -11.730 -3.441 3.145 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.274 -6.002 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.143 -4.601 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.059 -3.373 0.754 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.293 -4.788 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.072 -7.104 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.141 -6.925 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.916 -7.045 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.440 -5.283 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.326 -5.108 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.496 -3.705 -1.398 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.050 -6.021 1.085 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.880 -6.240 0.261 1.00 0.00 C ATOM 1112 C VAL A 69 -8.299 -6.048 -1.194 1.00 0.00 C ATOM 1113 O VAL A 69 -8.737 -6.976 -1.866 1.00 0.00 O ATOM 1114 CB VAL A 69 -7.305 -7.633 0.537 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -6.060 -7.876 -0.323 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.937 -7.788 2.020 1.00 0.00 C ATOM 0 H VAL A 69 -9.354 -6.863 1.574 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.085 -5.530 0.490 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.070 -8.367 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.663 -8.870 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.327 -7.804 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.304 -7.127 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.531 -8.785 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.191 -7.041 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.828 -7.649 2.632 1.00 0.00 H new ATOM 1126 N THR A 70 -8.182 -4.814 -1.665 1.00 0.00 N ATOM 1127 CA THR A 70 -8.263 -4.504 -3.078 1.00 0.00 C ATOM 1128 C THR A 70 -6.871 -4.668 -3.698 1.00 0.00 C ATOM 1129 O THR A 70 -5.867 -4.563 -2.990 1.00 0.00 O ATOM 1130 CB THR A 70 -8.803 -3.081 -3.256 1.00 0.00 C ATOM 1131 OG1 THR A 70 -8.023 -2.140 -2.542 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.227 -2.940 -2.720 1.00 0.00 C ATOM 0 H THR A 70 -8.028 -3.999 -1.071 1.00 0.00 H new ATOM 0 HA THR A 70 -8.947 -5.184 -3.586 1.00 0.00 H new ATOM 0 HB THR A 70 -8.772 -2.891 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.391 -1.241 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.571 -1.916 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.886 -3.624 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.241 -3.179 -1.657 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.817 -4.880 -5.014 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.598 -4.958 -5.811 1.00 0.00 C ATOM 1142 C GLU A 71 -4.540 -3.949 -5.337 1.00 0.00 C ATOM 1143 O GLU A 71 -3.448 -4.345 -4.935 1.00 0.00 O ATOM 1144 CB GLU A 71 -6.000 -4.863 -7.296 1.00 0.00 C ATOM 1145 CG GLU A 71 -4.879 -4.458 -8.262 1.00 0.00 C ATOM 1146 CD GLU A 71 -4.646 -2.954 -8.302 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.576 -2.206 -7.927 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -3.538 -2.553 -8.706 1.00 0.00 O ATOM 0 H GLU A 71 -7.659 -5.007 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.092 -5.914 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.394 -5.830 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.813 -4.143 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.955 -4.956 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.125 -4.809 -9.264 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.862 -2.657 -5.306 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.888 -1.627 -4.966 1.00 0.00 C ATOM 1157 C VAL A 72 -3.173 -1.900 -3.634 1.00 0.00 C ATOM 1158 O VAL A 72 -2.051 -1.438 -3.429 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.539 -0.234 -5.006 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.479 -0.018 -3.816 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.489 0.882 -5.046 1.00 0.00 C ATOM 0 H VAL A 72 -5.795 -2.300 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.106 -1.654 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.124 -0.191 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.921 0.977 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.270 -0.768 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.916 -0.108 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.988 1.851 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.861 0.823 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.870 0.767 -5.936 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.803 -2.616 -2.697 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.147 -3.026 -1.467 1.00 0.00 C ATOM 1173 C ARG A 73 -2.005 -3.985 -1.788 1.00 0.00 C ATOM 1174 O ARG A 73 -0.883 -3.784 -1.327 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.146 -3.671 -0.493 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.361 -2.777 -0.200 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.985 -1.438 0.445 1.00 0.00 C ATOM 1178 NE ARG A 73 -4.226 -1.611 1.685 1.00 0.00 N ATOM 1179 CZ ARG A 73 -3.537 -0.659 2.332 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.705 0.633 2.036 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -2.663 -1.028 3.267 1.00 0.00 N ATOM 0 H ARG A 73 -4.773 -2.922 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.740 -2.141 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.490 -4.618 -0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.636 -3.900 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.897 -2.587 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.046 -3.311 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.396 -0.851 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.892 -0.870 0.653 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.221 -2.544 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.365 0.908 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.173 1.344 2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.529 -2.017 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.128 -0.322 3.772 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.277 -5.036 -2.556 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.258 -6.025 -2.860 1.00 0.00 C ATOM 1197 C VAL A 74 -0.161 -5.370 -3.703 1.00 0.00 C ATOM 1198 O VAL A 74 1.031 -5.519 -3.431 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.885 -7.289 -3.476 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -1.954 -7.311 -5.007 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -1.079 -8.509 -3.040 1.00 0.00 C ATOM 0 H VAL A 74 -3.189 -5.221 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.776 -6.379 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.913 -7.297 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.412 -8.243 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.552 -6.469 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.947 -7.236 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.517 -9.408 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.049 -8.406 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.094 -8.585 -1.953 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.580 -4.570 -4.685 1.00 0.00 N ATOM 1212 CA TYR A 75 0.310 -3.745 -5.482 1.00 0.00 C ATOM 1213 C TYR A 75 1.222 -2.951 -4.544 1.00 0.00 C ATOM 1214 O TYR A 75 2.444 -2.961 -4.695 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.530 -2.827 -6.381 1.00 0.00 C ATOM 1216 CG TYR A 75 0.187 -2.304 -7.607 1.00 0.00 C ATOM 1217 CD1 TYR A 75 0.306 -3.130 -8.739 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.595 -0.959 -7.676 1.00 0.00 C ATOM 1219 CE1 TYR A 75 0.815 -2.610 -9.941 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.093 -0.438 -8.884 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.171 -1.256 -10.021 1.00 0.00 C ATOM 1222 OH TYR A 75 1.592 -0.724 -11.203 1.00 0.00 O ATOM 0 H TYR A 75 -1.562 -4.480 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 75 0.941 -4.358 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.418 -3.371 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.873 -1.978 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.006 -4.166 -8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.526 -0.328 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.932 -3.252 -10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.415 0.591 -8.936 1.00 0.00 H new ATOM 0 HH TYR A 75 1.797 0.226 -11.080 1.00 0.00 H new ATOM 1232 N ASN A 76 0.619 -2.301 -3.542 1.00 0.00 N ATOM 1233 CA ASN A 76 1.355 -1.582 -2.514 1.00 0.00 C ATOM 1234 C ASN A 76 2.385 -2.489 -1.862 1.00 0.00 C ATOM 1235 O ASN A 76 3.546 -2.113 -1.845 1.00 0.00 O ATOM 1236 CB ASN A 76 0.464 -0.960 -1.423 1.00 0.00 C ATOM 1237 CG ASN A 76 0.244 0.529 -1.622 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.981 1.354 -1.092 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.796 0.887 -2.365 1.00 0.00 N ATOM 0 H ASN A 76 -0.394 -2.263 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 76 1.844 -0.756 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.501 -1.467 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.921 -1.128 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.003 1.875 -2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.388 0.174 -2.791 1.00 0.00 H new ATOM 1246 N TRP A 77 2.010 -3.628 -1.272 1.00 0.00 N ATOM 1247 CA TRP A 77 2.969 -4.380 -0.459 1.00 0.00 C ATOM 1248 C TRP A 77 4.197 -4.789 -1.288 1.00 0.00 C ATOM 1249 O TRP A 77 5.329 -4.564 -0.867 1.00 0.00 O ATOM 1250 CB TRP A 77 2.332 -5.556 0.305 1.00 0.00 C ATOM 1251 CG TRP A 77 2.673 -6.915 -0.221 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.004 -7.539 -1.206 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.761 -7.816 0.147 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.671 -8.688 -1.571 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.729 -8.943 -0.727 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.742 -7.823 1.161 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.619 -10.019 -0.603 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.583 -8.936 1.345 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.538 -10.023 0.456 1.00 0.00 C ATOM 0 H TRP A 77 1.079 -4.039 -1.338 1.00 0.00 H new ATOM 0 HA TRP A 77 3.321 -3.706 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.640 -5.500 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.249 -5.437 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.081 -7.191 -1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.414 -9.275 -2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.849 -6.962 1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.597 -10.833 -1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.270 -8.955 2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.209 -10.859 0.588 1.00 0.00 H new ATOM 1270 N PHE A 78 4.012 -5.334 -2.490 1.00 0.00 N ATOM 1271 CA PHE A 78 5.164 -5.642 -3.332 1.00 0.00 C ATOM 1272 C PHE A 78 5.951 -4.357 -3.621 1.00 0.00 C ATOM 1273 O PHE A 78 7.178 -4.329 -3.519 1.00 0.00 O ATOM 1274 CB PHE A 78 4.719 -6.344 -4.619 1.00 0.00 C ATOM 1275 CG PHE A 78 4.451 -7.825 -4.437 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.527 -8.684 -4.139 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.194 -8.372 -4.757 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.325 -10.071 -4.070 1.00 0.00 C ATOM 1279 CE2 PHE A 78 3.003 -9.763 -4.705 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.043 -10.604 -4.270 1.00 0.00 C ATOM 0 H PHE A 78 3.104 -5.565 -2.893 1.00 0.00 H new ATOM 0 HA PHE A 78 5.825 -6.330 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.815 -5.862 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.488 -6.213 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.510 -8.274 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.378 -7.724 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.157 -10.728 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.055 -10.188 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.856 -11.653 -4.091 1.00 0.00 H new ATOM 1290 N ALA A 79 5.253 -3.267 -3.943 1.00 0.00 N ATOM 1291 CA ALA A 79 5.860 -1.958 -4.148 1.00 0.00 C ATOM 1292 C ALA A 79 6.379 -1.320 -2.851 1.00 0.00 C ATOM 1293 O ALA A 79 7.012 -0.266 -2.935 1.00 0.00 O ATOM 1294 CB ALA A 79 4.857 -1.033 -4.840 1.00 0.00 C ATOM 0 H ALA A 79 4.241 -3.272 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 79 6.734 -2.103 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.311 -0.054 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.575 -1.457 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.969 -0.928 -4.217 1.00 0.00 H new ATOM 1300 N ASN A 80 6.134 -1.908 -1.675 1.00 0.00 N ATOM 1301 CA ASN A 80 6.852 -1.592 -0.448 1.00 0.00 C ATOM 1302 C ASN A 80 8.150 -2.343 -0.571 1.00 0.00 C ATOM 1303 O ASN A 80 9.184 -1.715 -0.727 1.00 0.00 O ATOM 1304 CB ASN A 80 6.161 -2.037 0.850 1.00 0.00 C ATOM 1305 CG ASN A 80 5.099 -1.085 1.347 1.00 0.00 C ATOM 1306 OD1 ASN A 80 5.147 -0.648 2.490 1.00 0.00 O ATOM 1307 ND2 ASN A 80 4.104 -0.767 0.539 1.00 0.00 N ATOM 0 H ASN A 80 5.420 -2.626 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 80 6.938 -0.509 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.709 -3.016 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.916 -2.158 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.361 -0.149 0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.079 -1.140 -0.410 1.00 0.00 H new ATOM 1314 N ARG A 81 8.079 -3.675 -0.603 1.00 0.00 N ATOM 1315 CA ARG A 81 9.234 -4.555 -0.602 1.00 0.00 C ATOM 1316 C ARG A 81 10.334 -4.069 -1.544 1.00 0.00 C ATOM 1317 O ARG A 81 11.489 -3.952 -1.139 1.00 0.00 O ATOM 1318 CB ARG A 81 8.806 -5.986 -0.957 1.00 0.00 C ATOM 1319 CG ARG A 81 7.963 -6.674 0.131 1.00 0.00 C ATOM 1320 CD ARG A 81 8.705 -6.794 1.469 1.00 0.00 C ATOM 1321 NE ARG A 81 10.049 -7.369 1.281 1.00 0.00 N ATOM 1322 CZ ARG A 81 11.215 -6.783 1.603 1.00 0.00 C ATOM 1323 NH1 ARG A 81 11.257 -5.744 2.440 1.00 0.00 N ATOM 1324 NH2 ARG A 81 12.337 -7.251 1.050 1.00 0.00 N ATOM 0 H ARG A 81 7.192 -4.177 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 81 9.654 -4.546 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.235 -5.964 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.697 -6.585 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.042 -6.111 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.677 -7.669 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.788 -5.811 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.131 -7.420 2.152 1.00 0.00 H new ATOM 0 HE ARG A 81 10.099 -8.300 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.395 -5.382 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.151 -5.312 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.296 -8.036 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.235 -6.824 1.278 1.00 0.00 H new ATOM 1338 N ARG A 82 10.000 -3.800 -2.806 1.00 0.00 N ATOM 1339 CA ARG A 82 11.022 -3.375 -3.750 1.00 0.00 C ATOM 1340 C ARG A 82 11.523 -1.945 -3.479 1.00 0.00 C ATOM 1341 O ARG A 82 12.637 -1.604 -3.864 1.00 0.00 O ATOM 1342 CB ARG A 82 10.593 -3.625 -5.195 1.00 0.00 C ATOM 1343 CG ARG A 82 9.386 -2.791 -5.632 1.00 0.00 C ATOM 1344 CD ARG A 82 9.418 -2.592 -7.145 1.00 0.00 C ATOM 1345 NE ARG A 82 10.581 -1.781 -7.529 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.775 -1.096 -8.663 1.00 0.00 C ATOM 1347 NH1 ARG A 82 9.818 -1.051 -9.593 1.00 0.00 N ATOM 1348 NH2 ARG A 82 11.940 -0.475 -8.824 1.00 0.00 N ATOM 0 H ARG A 82 9.056 -3.867 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 82 11.897 -4.005 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.432 -3.408 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.356 -4.682 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.462 -3.291 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.398 -1.825 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.460 -3.560 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.501 -2.103 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 82 11.336 -1.734 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.936 -1.539 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.969 -0.528 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.652 -0.530 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.121 0.056 -9.676 1.00 0.00 H new