USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 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 43 MET CE :methyl 132:sc= -6.43! (180deg=-8.53!) USER MOD Set 1.2: A 76 MET CE :methyl -140:sc= -7.17! (180deg=-9.41!) USER MOD Set 1.3: A 136 MET CE :methyl -160:sc= -5.01! (180deg=-5.52!) USER MOD Set 2.1: A 117 ASN : amide:sc= -2.82 K(o=-6.7,f=-12!) USER MOD Set 2.2: A 134 GLN : amide:sc= -3.85 K(o=-6.7,f=-12!) USER MOD Set 3.1: A 47 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.5!) USER MOD Set 3.2: A 78 ASN :FLIP amide:sc= -0.0152 F(o=-2.5,f=-1.3) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 27 THR OG1 : rot 97:sc= 0.364 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0651) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= -1.24 (180deg=-4.95!) USER MOD Single : A 49 SER OG : rot -83:sc= 2.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0694) USER MOD Single : A 64 SER OG : rot 154:sc= -1.33! USER MOD Single : A 65 THR OG1 : rot -52:sc= 0.1 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.491 F(o=-1.9,f=-0.49) USER MOD Single : A 73 ASN : amide:sc= -5.58! C(o=-5.6!,f=-9.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -26:sc= 0.417 USER MOD Single : A 96 TYR OH : rot -132:sc= -1.68! USER MOD Single : A 106 SER OG : rot 85:sc= 1.14 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-0.73) USER MOD Single : A 115 ASN : amide:sc= -5.16! C(o=-5.2!,f=-8.4!) USER MOD Single : A 119 ASN : amide:sc= -0.179 K(o=-0.18,f=-2!) USER MOD Single : A 121 SER OG : rot 54:sc= 0.135 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 130:sc= -2.88 USER MOD Single : A 126 TYR OH : rot 180:sc= -0.0916 USER MOD Single : A 128 SER OG : rot 180:sc= 0.113 USER MOD Single : A 131 GLN : amide:sc= -2.05! C(o=-2.1!,f=-2.6!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.3!) USER MOD Single : A 144 THR OG1 : rot 34:sc= -0.0104 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.075 -0.410 -10.704 1.00 0.00 N ATOM 309 CA HIS A 22 -8.193 -1.202 -9.484 1.00 0.00 C ATOM 310 C HIS A 22 -6.843 -1.816 -9.137 1.00 0.00 C ATOM 311 O HIS A 22 -6.454 -2.835 -9.707 1.00 0.00 O ATOM 312 CB HIS A 22 -9.238 -2.304 -9.663 1.00 0.00 C ATOM 313 CG HIS A 22 -10.625 -1.786 -9.868 1.00 0.00 C ATOM 314 ND1 HIS A 22 -11.344 -1.146 -8.879 1.00 0.00 N ATOM 315 CD2 HIS A 22 -11.430 -1.812 -10.957 1.00 0.00 C ATOM 316 CE1 HIS A 22 -12.529 -0.803 -9.350 1.00 0.00 C ATOM 317 NE2 HIS A 22 -12.606 -1.195 -10.609 1.00 0.00 N ATOM 0 HA HIS A 22 -8.511 -0.550 -8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.960 -2.922 -10.517 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.226 -2.950 -8.785 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.191 -2.239 -11.920 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.303 -0.289 -8.800 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.409 -1.061 -11.223 1.00 0.00 H new ATOM 326 N ILE A 23 -6.117 -1.180 -8.224 1.00 0.00 N ATOM 327 CA ILE A 23 -4.797 -1.659 -7.840 1.00 0.00 C ATOM 328 C ILE A 23 -4.467 -1.362 -6.368 1.00 0.00 C ATOM 329 O ILE A 23 -4.789 -2.160 -5.476 1.00 0.00 O ATOM 330 CB ILE A 23 -3.727 -1.028 -8.752 1.00 0.00 C ATOM 331 CG1 ILE A 23 -3.977 -1.395 -10.215 1.00 0.00 C ATOM 332 CG2 ILE A 23 -2.346 -1.461 -8.325 1.00 0.00 C ATOM 333 CD1 ILE A 23 -4.883 -0.416 -10.930 1.00 0.00 C ATOM 0 H ILE A 23 -6.420 -0.335 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.800 -2.743 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.793 0.056 -8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.022 -1.445 -10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.419 -2.390 -10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.603 -1.006 -8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.167 -1.144 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.269 -2.546 -8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.019 -0.735 -11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.851 -0.384 -10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.432 0.576 -10.913 1.00 0.00 H new ATOM 345 N HIS A 24 -3.810 -0.221 -6.106 1.00 0.00 N ATOM 346 CA HIS A 24 -3.446 0.139 -4.738 1.00 0.00 C ATOM 347 C HIS A 24 -4.606 0.814 -4.031 1.00 0.00 C ATOM 348 O HIS A 24 -4.420 1.762 -3.271 1.00 0.00 O ATOM 349 CB HIS A 24 -2.215 1.057 -4.674 1.00 0.00 C ATOM 350 CG HIS A 24 -1.295 1.008 -5.859 1.00 0.00 C ATOM 351 ND1 HIS A 24 -0.743 -0.156 -6.351 1.00 0.00 N ATOM 352 CD2 HIS A 24 -0.790 2.009 -6.623 1.00 0.00 C ATOM 353 CE1 HIS A 24 0.059 0.131 -7.360 1.00 0.00 C ATOM 354 NE2 HIS A 24 0.045 1.435 -7.546 1.00 0.00 N ATOM 0 H HIS A 24 -3.526 0.455 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.196 -0.795 -4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.558 2.084 -4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.642 0.801 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.006 3.062 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.630 -0.583 -7.935 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.571 1.937 -8.262 1.00 0.00 H new ATOM 363 N TRP A 25 -5.802 0.333 -4.300 1.00 0.00 N ATOM 364 CA TRP A 25 -6.998 0.903 -3.711 1.00 0.00 C ATOM 365 C TRP A 25 -8.151 -0.081 -3.760 1.00 0.00 C ATOM 366 O TRP A 25 -9.303 0.286 -3.523 1.00 0.00 O ATOM 367 CB TRP A 25 -7.363 2.164 -4.472 1.00 0.00 C ATOM 368 CG TRP A 25 -6.762 2.189 -5.839 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.320 1.700 -6.975 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.479 2.709 -6.217 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.465 1.880 -8.030 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.335 2.501 -7.596 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.446 3.332 -5.528 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.200 2.893 -8.297 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.321 3.723 -6.219 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.203 3.504 -7.594 1.00 0.00 C ATOM 0 H TRP A 25 -5.973 -0.455 -4.925 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.802 1.138 -2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -8.448 2.238 -4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.025 3.036 -3.912 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.294 1.237 -7.038 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.647 1.593 -8.992 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.524 3.507 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.111 2.720 -9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.515 4.208 -5.688 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.309 3.823 -8.108 1.00 0.00 H new ATOM 387 N ARG A 26 -7.841 -1.335 -4.063 1.00 0.00 N ATOM 388 CA ARG A 26 -8.860 -2.365 -4.136 1.00 0.00 C ATOM 389 C ARG A 26 -9.740 -2.316 -2.887 1.00 0.00 C ATOM 390 O ARG A 26 -10.918 -2.672 -2.932 1.00 0.00 O ATOM 391 CB ARG A 26 -8.222 -3.751 -4.271 1.00 0.00 C ATOM 392 CG ARG A 26 -8.981 -4.682 -5.204 1.00 0.00 C ATOM 393 CD ARG A 26 -9.016 -4.143 -6.625 1.00 0.00 C ATOM 394 NE ARG A 26 -10.340 -4.274 -7.225 1.00 0.00 N ATOM 395 CZ ARG A 26 -10.809 -5.406 -7.747 1.00 0.00 C ATOM 396 NH1 ARG A 26 -10.066 -6.505 -7.743 1.00 0.00 N ATOM 397 NH2 ARG A 26 -12.026 -5.439 -8.273 1.00 0.00 N ATOM 0 H ARG A 26 -6.894 -1.659 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.474 -2.181 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.201 -3.638 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.159 -4.211 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.511 -5.666 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.000 -4.813 -4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.721 -3.094 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.287 -4.678 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.941 -3.450 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.130 -6.486 -7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.431 -7.369 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.603 -4.598 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.385 -6.306 -8.673 1.00 0.00 H new ATOM 411 N THR A 27 -9.141 -1.853 -1.779 1.00 0.00 N ATOM 412 CA THR A 27 -9.831 -1.717 -0.487 1.00 0.00 C ATOM 413 C THR A 27 -9.552 -2.906 0.423 1.00 0.00 C ATOM 414 O THR A 27 -9.444 -4.043 -0.035 1.00 0.00 O ATOM 415 CB THR A 27 -11.345 -1.540 -0.664 1.00 0.00 C ATOM 416 OG1 THR A 27 -11.625 -0.643 -1.724 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.031 -1.012 0.578 1.00 0.00 C ATOM 0 H THR A 27 -8.164 -1.562 -1.754 1.00 0.00 H new ATOM 0 HA THR A 27 -9.434 -0.817 -0.017 1.00 0.00 H new ATOM 0 HB THR A 27 -11.731 -2.536 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.817 -1.151 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.099 -0.909 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.875 -1.707 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.614 -0.039 0.839 1.00 0.00 H new ATOM 425 N LEU A 28 -9.436 -2.627 1.718 1.00 0.00 N ATOM 426 CA LEU A 28 -9.169 -3.664 2.710 1.00 0.00 C ATOM 427 C LEU A 28 -10.327 -4.653 2.798 1.00 0.00 C ATOM 428 O LEU A 28 -10.164 -5.768 3.293 1.00 0.00 O ATOM 429 CB LEU A 28 -8.916 -3.033 4.079 1.00 0.00 C ATOM 430 CG LEU A 28 -8.013 -3.850 5.008 1.00 0.00 C ATOM 431 CD1 LEU A 28 -6.976 -2.955 5.672 1.00 0.00 C ATOM 432 CD2 LEU A 28 -8.841 -4.575 6.059 1.00 0.00 C ATOM 0 H LEU A 28 -9.523 -1.688 2.106 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.278 -4.209 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.468 -2.050 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.875 -2.876 4.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.491 -4.595 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.345 -3.554 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.360 -2.483 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.480 -2.186 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.181 -5.150 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.392 -3.847 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.543 -5.249 5.568 1.00 0.00 H new ATOM 444 N GLU A 29 -11.497 -4.245 2.315 1.00 0.00 N ATOM 445 CA GLU A 29 -12.671 -5.105 2.342 1.00 0.00 C ATOM 446 C GLU A 29 -12.440 -6.351 1.494 1.00 0.00 C ATOM 447 O GLU A 29 -12.552 -7.476 1.979 1.00 0.00 O ATOM 448 CB GLU A 29 -13.901 -4.346 1.837 1.00 0.00 C ATOM 449 CG GLU A 29 -15.115 -4.489 2.737 1.00 0.00 C ATOM 450 CD GLU A 29 -15.808 -5.827 2.571 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.673 -5.940 1.676 1.00 0.00 O ATOM 452 OE2 GLU A 29 -15.488 -6.761 3.337 1.00 0.00 O ATOM 0 H GLU A 29 -11.655 -3.326 1.902 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.847 -5.412 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.652 -3.289 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.154 -4.704 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.809 -4.369 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.821 -3.688 2.518 1.00 0.00 H new ATOM 459 N ASP A 30 -12.107 -6.139 0.223 1.00 0.00 N ATOM 460 CA ASP A 30 -11.851 -7.241 -0.696 1.00 0.00 C ATOM 461 C ASP A 30 -10.406 -7.719 -0.577 1.00 0.00 C ATOM 462 O ASP A 30 -10.103 -8.884 -0.834 1.00 0.00 O ATOM 463 CB ASP A 30 -12.145 -6.811 -2.137 1.00 0.00 C ATOM 464 CG ASP A 30 -13.316 -7.563 -2.735 1.00 0.00 C ATOM 465 OD1 ASP A 30 -14.470 -7.136 -2.516 1.00 0.00 O ATOM 466 OD2 ASP A 30 -13.081 -8.578 -3.423 1.00 0.00 O ATOM 0 H ASP A 30 -12.009 -5.213 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.512 -8.067 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.354 -5.741 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.259 -6.975 -2.751 1.00 0.00 H new ATOM 471 N GLY A 31 -9.519 -6.809 -0.186 1.00 0.00 N ATOM 472 CA GLY A 31 -8.116 -7.152 -0.041 1.00 0.00 C ATOM 473 C GLY A 31 -7.856 -8.040 1.161 1.00 0.00 C ATOM 474 O GLY A 31 -7.090 -8.998 1.076 1.00 0.00 O ATOM 0 H GLY A 31 -9.747 -5.839 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.774 -7.659 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.530 -6.238 0.053 1.00 0.00 H new ATOM 478 N LYS A 32 -8.492 -7.718 2.281 1.00 0.00 N ATOM 479 CA LYS A 32 -8.322 -8.490 3.508 1.00 0.00 C ATOM 480 C LYS A 32 -9.019 -9.844 3.406 1.00 0.00 C ATOM 481 O LYS A 32 -8.415 -10.883 3.669 1.00 0.00 O ATOM 482 CB LYS A 32 -8.872 -7.711 4.707 1.00 0.00 C ATOM 483 CG LYS A 32 -8.393 -8.245 6.049 1.00 0.00 C ATOM 484 CD LYS A 32 -9.544 -8.798 6.879 1.00 0.00 C ATOM 485 CE LYS A 32 -9.439 -10.305 7.050 1.00 0.00 C ATOM 486 NZ LYS A 32 -10.741 -10.983 6.804 1.00 0.00 N ATOM 0 H LYS A 32 -9.131 -6.927 2.366 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.255 -8.662 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.579 -6.665 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.961 -7.741 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.653 -9.028 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.896 -7.448 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.549 -8.320 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.491 -8.551 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.690 -10.697 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.096 -10.533 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.600 -12.013 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.412 -10.731 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.122 -10.679 5.885 1.00 0.00 H new ATOM 500 N LYS A 33 -10.294 -9.823 3.026 1.00 0.00 N ATOM 501 CA LYS A 33 -11.071 -11.052 2.891 1.00 0.00 C ATOM 502 C LYS A 33 -10.362 -12.052 1.980 1.00 0.00 C ATOM 503 O LYS A 33 -10.496 -13.262 2.149 1.00 0.00 O ATOM 504 CB LYS A 33 -12.462 -10.741 2.340 1.00 0.00 C ATOM 505 CG LYS A 33 -12.438 -10.064 0.980 1.00 0.00 C ATOM 506 CD LYS A 33 -12.636 -11.066 -0.147 1.00 0.00 C ATOM 507 CE LYS A 33 -14.036 -10.979 -0.734 1.00 0.00 C ATOM 508 NZ LYS A 33 -14.601 -12.325 -1.027 1.00 0.00 N ATOM 0 H LYS A 33 -10.810 -8.971 2.807 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.169 -11.499 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.030 -11.668 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.989 -10.100 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.221 -9.307 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.487 -9.548 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.900 -10.883 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.460 -12.075 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.690 -10.455 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.009 -10.389 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.556 -12.221 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.991 -12.816 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.651 -12.879 -0.148 1.00 0.00 H new ATOM 522 N GLU A 34 -9.607 -11.534 1.017 1.00 0.00 N ATOM 523 CA GLU A 34 -8.875 -12.380 0.083 1.00 0.00 C ATOM 524 C GLU A 34 -7.436 -12.589 0.548 1.00 0.00 C ATOM 525 O GLU A 34 -6.823 -13.617 0.256 1.00 0.00 O ATOM 526 CB GLU A 34 -8.885 -11.759 -1.314 1.00 0.00 C ATOM 527 CG GLU A 34 -8.496 -12.735 -2.413 1.00 0.00 C ATOM 528 CD GLU A 34 -9.488 -12.745 -3.561 1.00 0.00 C ATOM 529 OE1 GLU A 34 -10.484 -13.494 -3.480 1.00 0.00 O ATOM 530 OE2 GLU A 34 -9.269 -12.002 -4.541 1.00 0.00 O ATOM 0 H GLU A 34 -9.486 -10.533 0.863 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.370 -13.350 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.881 -11.368 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.199 -10.912 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.508 -12.474 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.421 -13.738 -1.993 1.00 0.00 H new ATOM 537 N ALA A 35 -6.904 -11.611 1.272 1.00 0.00 N ATOM 538 CA ALA A 35 -5.538 -11.689 1.776 1.00 0.00 C ATOM 539 C ALA A 35 -5.396 -12.778 2.834 1.00 0.00 C ATOM 540 O ALA A 35 -4.282 -13.175 3.177 1.00 0.00 O ATOM 541 CB ALA A 35 -5.105 -10.345 2.341 1.00 0.00 C ATOM 0 H ALA A 35 -7.398 -10.755 1.523 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.889 -11.948 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.083 -10.419 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.152 -9.589 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.769 -10.063 3.158 1.00 0.00 H new ATOM 547 N ALA A 36 -6.524 -13.254 3.354 1.00 0.00 N ATOM 548 CA ALA A 36 -6.517 -14.294 4.375 1.00 0.00 C ATOM 549 C ALA A 36 -6.338 -15.676 3.756 1.00 0.00 C ATOM 550 O ALA A 36 -5.516 -16.470 4.216 1.00 0.00 O ATOM 551 CB ALA A 36 -7.802 -14.240 5.187 1.00 0.00 C ATOM 0 H ALA A 36 -7.454 -12.935 3.084 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.670 -14.112 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.785 -15.022 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.887 -13.266 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.656 -14.393 4.527 1.00 0.00 H new ATOM 557 N ALA A 37 -7.111 -15.956 2.713 1.00 0.00 N ATOM 558 CA ALA A 37 -7.039 -17.244 2.033 1.00 0.00 C ATOM 559 C ALA A 37 -5.735 -17.390 1.259 1.00 0.00 C ATOM 560 O ALA A 37 -4.847 -18.146 1.654 1.00 0.00 O ATOM 561 CB ALA A 37 -8.229 -17.412 1.100 1.00 0.00 C ATOM 0 H ALA A 37 -7.794 -15.309 2.320 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.067 -18.027 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.164 -18.377 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.153 -17.364 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.224 -16.615 0.356 1.00 0.00 H new ATOM 567 N SER A 38 -5.627 -16.664 0.152 1.00 0.00 N ATOM 568 CA SER A 38 -4.432 -16.714 -0.684 1.00 0.00 C ATOM 569 C SER A 38 -3.187 -16.332 0.112 1.00 0.00 C ATOM 570 O SER A 38 -2.097 -16.846 -0.138 1.00 0.00 O ATOM 571 CB SER A 38 -4.590 -15.780 -1.886 1.00 0.00 C ATOM 572 OG SER A 38 -4.191 -16.422 -3.086 1.00 0.00 O ATOM 0 H SER A 38 -6.353 -16.033 -0.188 1.00 0.00 H new ATOM 0 HA SER A 38 -4.310 -17.738 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.629 -15.461 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.992 -14.882 -1.734 1.00 0.00 H new ATOM 0 HG SER A 38 -4.303 -15.806 -3.840 1.00 0.00 H new ATOM 578 N GLY A 39 -3.354 -15.424 1.069 1.00 0.00 N ATOM 579 CA GLY A 39 -2.233 -14.989 1.882 1.00 0.00 C ATOM 580 C GLY A 39 -1.327 -14.024 1.143 1.00 0.00 C ATOM 581 O GLY A 39 -0.232 -14.392 0.718 1.00 0.00 O ATOM 0 H GLY A 39 -4.245 -14.982 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.607 -14.511 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.655 -15.859 2.196 1.00 0.00 H new ATOM 585 N LEU A 40 -1.785 -12.786 0.987 1.00 0.00 N ATOM 586 CA LEU A 40 -1.007 -11.766 0.293 1.00 0.00 C ATOM 587 C LEU A 40 -1.025 -10.444 1.065 1.00 0.00 C ATOM 588 O LEU A 40 -2.075 -10.007 1.535 1.00 0.00 O ATOM 589 CB LEU A 40 -1.550 -11.558 -1.128 1.00 0.00 C ATOM 590 CG LEU A 40 -3.009 -11.099 -1.209 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.111 -9.604 -0.945 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.619 -11.452 -2.560 1.00 0.00 C ATOM 0 H LEU A 40 -2.690 -12.465 1.331 1.00 0.00 H new ATOM 0 HA LEU A 40 0.025 -12.110 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.926 -10.821 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.449 -12.493 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.574 -11.625 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.154 -9.294 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.725 -9.383 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.527 -9.062 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.655 -11.115 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.054 -10.962 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.584 -12.532 -2.704 1.00 0.00 H new ATOM 604 N PRO A 41 0.143 -9.788 1.209 1.00 0.00 N ATOM 605 CA PRO A 41 0.252 -8.512 1.927 1.00 0.00 C ATOM 606 C PRO A 41 -0.363 -7.366 1.136 1.00 0.00 C ATOM 607 O PRO A 41 -0.783 -7.551 -0.005 1.00 0.00 O ATOM 608 CB PRO A 41 1.761 -8.317 2.077 1.00 0.00 C ATOM 609 CG PRO A 41 2.349 -9.053 0.924 1.00 0.00 C ATOM 610 CD PRO A 41 1.447 -10.233 0.681 1.00 0.00 C ATOM 0 HA PRO A 41 -0.280 -8.524 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.029 -7.261 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.120 -8.714 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.404 -8.416 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.365 -9.378 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.387 -10.480 -0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.805 -11.124 1.196 1.00 0.00 H new ATOM 618 N LEU A 42 -0.438 -6.184 1.741 1.00 0.00 N ATOM 619 CA LEU A 42 -1.026 -5.047 1.061 1.00 0.00 C ATOM 620 C LEU A 42 -0.025 -3.914 0.859 1.00 0.00 C ATOM 621 O LEU A 42 1.022 -3.855 1.502 1.00 0.00 O ATOM 622 CB LEU A 42 -2.251 -4.540 1.830 1.00 0.00 C ATOM 623 CG LEU A 42 -2.444 -5.127 3.233 1.00 0.00 C ATOM 624 CD1 LEU A 42 -3.461 -4.309 4.014 1.00 0.00 C ATOM 625 CD2 LEU A 42 -2.884 -6.580 3.144 1.00 0.00 C ATOM 0 H LEU A 42 -0.103 -5.995 2.686 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.336 -5.388 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.180 -3.456 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.142 -4.755 1.240 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.491 -5.087 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.587 -4.738 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.109 -3.281 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.417 -4.320 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.017 -6.982 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.827 -6.642 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.124 -7.159 2.619 1.00 0.00 H new ATOM 637 N MET A 43 -0.370 -3.020 -0.056 1.00 0.00 N ATOM 638 CA MET A 43 0.472 -1.868 -0.375 1.00 0.00 C ATOM 639 C MET A 43 -0.326 -0.562 -0.218 1.00 0.00 C ATOM 640 O MET A 43 -0.805 0.008 -1.198 1.00 0.00 O ATOM 641 CB MET A 43 1.017 -2.011 -1.803 1.00 0.00 C ATOM 642 CG MET A 43 1.686 -0.760 -2.349 1.00 0.00 C ATOM 643 SD MET A 43 1.369 -0.513 -4.105 1.00 0.00 S ATOM 644 CE MET A 43 1.805 -2.124 -4.752 1.00 0.00 C ATOM 0 H MET A 43 -1.234 -3.068 -0.596 1.00 0.00 H new ATOM 0 HA MET A 43 1.312 -1.831 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.735 -2.831 -1.824 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.197 -2.288 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.331 0.109 -1.794 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.761 -0.826 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.018 -2.472 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.744 -2.054 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.918 -2.828 -3.928 1.00 0.00 H new ATOM 654 N VAL A 44 -0.481 -0.108 1.021 1.00 0.00 N ATOM 655 CA VAL A 44 -1.241 1.110 1.303 1.00 0.00 C ATOM 656 C VAL A 44 -0.572 2.367 0.754 1.00 0.00 C ATOM 657 O VAL A 44 0.330 2.919 1.380 1.00 0.00 O ATOM 658 CB VAL A 44 -1.460 1.297 2.818 1.00 0.00 C ATOM 659 CG1 VAL A 44 -2.184 2.605 3.110 1.00 0.00 C ATOM 660 CG2 VAL A 44 -2.229 0.122 3.385 1.00 0.00 C ATOM 0 H VAL A 44 -0.092 -0.563 1.847 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.198 0.978 0.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.484 1.342 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.325 2.711 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.591 3.440 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.155 2.601 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.377 0.266 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.198 0.049 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.666 -0.796 3.217 1.00 0.00 H new ATOM 670 N ILE A 45 -1.045 2.839 -0.397 1.00 0.00 N ATOM 671 CA ILE A 45 -0.507 4.054 -0.994 1.00 0.00 C ATOM 672 C ILE A 45 -1.326 5.263 -0.564 1.00 0.00 C ATOM 673 O ILE A 45 -2.521 5.346 -0.838 1.00 0.00 O ATOM 674 CB ILE A 45 -0.488 3.983 -2.533 1.00 0.00 C ATOM 675 CG1 ILE A 45 0.265 5.182 -3.108 1.00 0.00 C ATOM 676 CG2 ILE A 45 -1.897 3.929 -3.090 1.00 0.00 C ATOM 677 CD1 ILE A 45 0.712 4.983 -4.540 1.00 0.00 C ATOM 0 H ILE A 45 -1.795 2.400 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 45 0.520 4.153 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 45 0.028 3.069 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.375 6.063 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.138 5.384 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.856 3.879 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.407 3.046 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.442 4.823 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.240 5.873 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.378 4.122 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.159 4.811 -5.172 1.00 0.00 H new ATOM 689 N ILE A 46 -0.687 6.198 0.117 1.00 0.00 N ATOM 690 CA ILE A 46 -1.380 7.389 0.579 1.00 0.00 C ATOM 691 C ILE A 46 -0.705 8.639 0.055 1.00 0.00 C ATOM 692 O ILE A 46 0.520 8.695 -0.050 1.00 0.00 O ATOM 693 CB ILE A 46 -1.440 7.433 2.112 1.00 0.00 C ATOM 694 CG1 ILE A 46 -1.957 6.095 2.641 1.00 0.00 C ATOM 695 CG2 ILE A 46 -2.322 8.581 2.578 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.526 5.797 4.057 1.00 0.00 C ATOM 0 H ILE A 46 0.303 6.157 0.361 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.399 7.349 0.193 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.438 7.603 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.046 6.091 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.607 5.296 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.353 8.597 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.915 9.524 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.331 8.446 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.930 4.832 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.438 5.768 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.899 6.576 4.722 1.00 0.00 H new ATOM 708 N HIS A 47 -1.503 9.639 -0.292 1.00 0.00 N ATOM 709 CA HIS A 47 -0.949 10.875 -0.824 1.00 0.00 C ATOM 710 C HIS A 47 -1.701 12.102 -0.335 1.00 0.00 C ATOM 711 O HIS A 47 -2.918 12.204 -0.493 1.00 0.00 O ATOM 712 CB HIS A 47 -0.953 10.842 -2.348 1.00 0.00 C ATOM 713 CG HIS A 47 -2.299 10.559 -2.938 1.00 0.00 C ATOM 714 ND1 HIS A 47 -3.064 11.523 -3.558 1.00 0.00 N ATOM 715 CD2 HIS A 47 -3.014 9.410 -3.005 1.00 0.00 C ATOM 716 CE1 HIS A 47 -4.192 10.982 -3.983 1.00 0.00 C ATOM 717 NE2 HIS A 47 -4.186 9.702 -3.663 1.00 0.00 N ATOM 0 H HIS A 47 -2.520 9.620 -0.216 1.00 0.00 H new ATOM 0 HA HIS A 47 0.076 10.949 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.595 11.800 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.249 10.082 -2.688 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -2.800 12.502 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.719 8.447 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.984 11.499 -4.504 1.00 0.00 H new ATOM 726 N LYS A 48 -0.962 13.035 0.258 1.00 0.00 N ATOM 727 CA LYS A 48 -1.570 14.267 0.768 1.00 0.00 C ATOM 728 C LYS A 48 -0.852 15.521 0.259 1.00 0.00 C ATOM 729 O LYS A 48 0.352 15.504 0.001 1.00 0.00 O ATOM 730 CB LYS A 48 -1.583 14.260 2.298 1.00 0.00 C ATOM 731 CG LYS A 48 -2.978 14.165 2.893 1.00 0.00 C ATOM 732 CD LYS A 48 -3.481 12.729 2.913 1.00 0.00 C ATOM 733 CE LYS A 48 -3.720 12.241 4.334 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.047 10.789 4.375 1.00 0.00 N ATOM 0 H LYS A 48 0.046 12.967 0.398 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.593 14.298 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.987 13.420 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.103 15.169 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.969 14.562 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.664 14.784 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.407 12.659 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.755 12.081 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.832 12.430 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.536 12.810 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.021 10.662 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.961 10.387 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.388 10.303 5.016 1.00 0.00 H new ATOM 748 N SER A 49 -1.612 16.610 0.133 1.00 0.00 N ATOM 749 CA SER A 49 -1.083 17.897 -0.326 1.00 0.00 C ATOM 750 C SER A 49 -0.364 17.780 -1.667 1.00 0.00 C ATOM 751 O SER A 49 0.681 17.140 -1.769 1.00 0.00 O ATOM 752 CB SER A 49 -0.134 18.485 0.719 1.00 0.00 C ATOM 753 OG SER A 49 -0.091 19.898 0.630 1.00 0.00 O ATOM 0 H SER A 49 -2.609 16.626 0.346 1.00 0.00 H new ATOM 0 HA SER A 49 -1.935 18.562 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.459 18.190 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.867 18.078 0.576 1.00 0.00 H new ATOM 0 HG SER A 49 0.543 20.163 -0.069 1.00 0.00 H new ATOM 759 N TRP A 50 -0.929 18.424 -2.687 1.00 0.00 N ATOM 760 CA TRP A 50 -0.347 18.415 -4.031 1.00 0.00 C ATOM 761 C TRP A 50 -0.281 16.997 -4.585 1.00 0.00 C ATOM 762 O TRP A 50 -1.049 16.632 -5.478 1.00 0.00 O ATOM 763 CB TRP A 50 1.052 19.044 -4.019 1.00 0.00 C ATOM 764 CG TRP A 50 1.216 20.123 -2.991 1.00 0.00 C ATOM 765 CD1 TRP A 50 1.814 20.005 -1.770 1.00 0.00 C ATOM 766 CD2 TRP A 50 0.772 21.481 -3.092 1.00 0.00 C ATOM 767 NE1 TRP A 50 1.771 21.206 -1.104 1.00 0.00 N ATOM 768 CE2 TRP A 50 1.137 22.128 -1.895 1.00 0.00 C ATOM 769 CE3 TRP A 50 0.104 22.213 -4.077 1.00 0.00 C ATOM 770 CZ2 TRP A 50 0.854 23.471 -1.660 1.00 0.00 C ATOM 771 CZ3 TRP A 50 -0.176 23.546 -3.841 1.00 0.00 C ATOM 772 CH2 TRP A 50 0.199 24.163 -2.642 1.00 0.00 C ATOM 0 H TRP A 50 -1.793 18.961 -2.609 1.00 0.00 H new ATOM 0 HA TRP A 50 -0.991 19.009 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.791 18.264 -3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.264 19.458 -5.005 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.257 19.099 -1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.149 21.382 -0.173 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.188 21.746 -5.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.141 23.949 -0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.693 24.121 -4.595 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.033 25.207 -2.489 1.00 0.00 H new ATOM 783 N CYS A 51 0.632 16.200 -4.046 1.00 0.00 N ATOM 784 CA CYS A 51 0.796 14.817 -4.471 1.00 0.00 C ATOM 785 C CYS A 51 1.206 14.723 -5.942 1.00 0.00 C ATOM 786 O CYS A 51 0.494 15.201 -6.826 1.00 0.00 O ATOM 787 CB CYS A 51 -0.508 14.039 -4.245 1.00 0.00 C ATOM 788 SG CYS A 51 -0.608 12.447 -5.138 1.00 0.00 S ATOM 0 H CYS A 51 1.274 16.491 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 51 1.593 14.379 -3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.623 13.850 -3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.347 14.665 -4.550 1.00 0.00 H new ATOM 793 N GLY A 52 2.339 14.074 -6.196 1.00 0.00 N ATOM 794 CA GLY A 52 2.805 13.891 -7.561 1.00 0.00 C ATOM 795 C GLY A 52 2.672 12.448 -7.998 1.00 0.00 C ATOM 796 O GLY A 52 2.607 12.150 -9.189 1.00 0.00 O ATOM 0 H GLY A 52 2.944 13.671 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.232 14.531 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.847 14.202 -7.637 1.00 0.00 H new ATOM 800 N ALA A 53 2.622 11.550 -7.021 1.00 0.00 N ATOM 801 CA ALA A 53 2.482 10.131 -7.291 1.00 0.00 C ATOM 802 C ALA A 53 1.122 9.827 -7.890 1.00 0.00 C ATOM 803 O ALA A 53 0.901 8.745 -8.422 1.00 0.00 O ATOM 804 CB ALA A 53 2.698 9.325 -6.020 1.00 0.00 C ATOM 0 H ALA A 53 2.677 11.785 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 53 3.243 9.845 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.590 8.263 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.700 9.515 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.960 9.618 -5.273 1.00 0.00 H new ATOM 810 N CYS A 54 0.208 10.781 -7.801 1.00 0.00 N ATOM 811 CA CYS A 54 -1.123 10.588 -8.339 1.00 0.00 C ATOM 812 C CYS A 54 -1.235 11.156 -9.749 1.00 0.00 C ATOM 813 O CYS A 54 -1.914 10.584 -10.602 1.00 0.00 O ATOM 814 CB CYS A 54 -2.179 11.220 -7.426 1.00 0.00 C ATOM 815 SG CYS A 54 -1.732 12.866 -6.777 1.00 0.00 S ATOM 0 H CYS A 54 0.365 11.689 -7.364 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.306 9.515 -8.388 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.115 11.303 -7.978 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.363 10.550 -6.586 1.00 0.00 H new ATOM 820 N LYS A 55 -0.570 12.280 -9.993 1.00 0.00 N ATOM 821 CA LYS A 55 -0.614 12.911 -11.309 1.00 0.00 C ATOM 822 C LYS A 55 0.252 12.158 -12.316 1.00 0.00 C ATOM 823 O LYS A 55 -0.132 12.008 -13.475 1.00 0.00 O ATOM 824 CB LYS A 55 -0.180 14.378 -11.231 1.00 0.00 C ATOM 825 CG LYS A 55 1.047 14.608 -10.371 1.00 0.00 C ATOM 826 CD LYS A 55 2.025 15.564 -11.034 1.00 0.00 C ATOM 827 CE LYS A 55 2.706 16.461 -10.014 1.00 0.00 C ATOM 828 NZ LYS A 55 3.685 17.385 -10.652 1.00 0.00 N ATOM 0 H LYS A 55 0.001 12.770 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.648 12.873 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.021 14.742 -12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.005 14.971 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.744 15.010 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.542 13.656 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.778 14.995 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.497 16.177 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.953 17.042 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.217 15.846 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.128 17.980 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.418 16.831 -11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.194 17.990 -11.340 1.00 0.00 H new ATOM 842 N ALA A 56 1.417 11.676 -11.880 1.00 0.00 N ATOM 843 CA ALA A 56 2.300 10.939 -12.777 1.00 0.00 C ATOM 844 C ALA A 56 1.704 9.585 -13.135 1.00 0.00 C ATOM 845 O ALA A 56 1.828 9.123 -14.268 1.00 0.00 O ATOM 846 CB ALA A 56 3.673 10.767 -12.143 1.00 0.00 C ATOM 0 H ALA A 56 1.765 11.781 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 56 2.410 11.513 -13.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.321 10.215 -12.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.107 11.747 -11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.575 10.216 -11.208 1.00 0.00 H new ATOM 852 N LEU A 57 1.056 8.955 -12.165 1.00 0.00 N ATOM 853 CA LEU A 57 0.442 7.650 -12.376 1.00 0.00 C ATOM 854 C LEU A 57 -0.681 7.720 -13.417 1.00 0.00 C ATOM 855 O LEU A 57 -0.885 6.787 -14.184 1.00 0.00 O ATOM 856 CB LEU A 57 -0.104 7.106 -11.047 1.00 0.00 C ATOM 857 CG LEU A 57 0.948 6.605 -10.040 1.00 0.00 C ATOM 858 CD1 LEU A 57 1.065 5.091 -10.083 1.00 0.00 C ATOM 859 CD2 LEU A 57 2.306 7.251 -10.288 1.00 0.00 C ATOM 0 H LEU A 57 0.941 9.327 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 57 1.209 6.975 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.690 7.891 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.788 6.286 -11.266 1.00 0.00 H new ATOM 0 HG LEU A 57 0.612 6.896 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.814 4.763 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.102 4.644 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.362 4.777 -11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.026 6.876 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.647 7.007 -11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.218 8.333 -10.187 1.00 0.00 H new ATOM 871 N LYS A 58 -1.419 8.820 -13.439 1.00 0.00 N ATOM 872 CA LYS A 58 -2.524 8.956 -14.391 1.00 0.00 C ATOM 873 C LYS A 58 -2.106 8.597 -15.823 1.00 0.00 C ATOM 874 O LYS A 58 -2.664 7.677 -16.417 1.00 0.00 O ATOM 875 CB LYS A 58 -3.127 10.368 -14.348 1.00 0.00 C ATOM 876 CG LYS A 58 -3.128 10.991 -12.963 1.00 0.00 C ATOM 877 CD LYS A 58 -4.140 12.121 -12.855 1.00 0.00 C ATOM 878 CE LYS A 58 -3.797 13.267 -13.793 1.00 0.00 C ATOM 879 NZ LYS A 58 -4.430 14.546 -13.366 1.00 0.00 N ATOM 0 H LYS A 58 -1.281 9.621 -12.823 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.288 8.242 -14.083 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.568 11.013 -15.026 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.151 10.327 -14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.356 10.226 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.132 11.371 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.135 11.743 -13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.171 12.486 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.715 13.393 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.125 13.020 -14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.171 15.301 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.464 14.435 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.098 14.796 -12.413 1.00 0.00 H new ATOM 893 N PRO A 59 -1.131 9.316 -16.409 1.00 0.00 N ATOM 894 CA PRO A 59 -0.679 9.066 -17.789 1.00 0.00 C ATOM 895 C PRO A 59 0.107 7.766 -17.972 1.00 0.00 C ATOM 896 O PRO A 59 -0.011 7.112 -19.007 1.00 0.00 O ATOM 897 CB PRO A 59 0.227 10.260 -18.081 1.00 0.00 C ATOM 898 CG PRO A 59 0.733 10.673 -16.746 1.00 0.00 C ATOM 899 CD PRO A 59 -0.403 10.441 -15.793 1.00 0.00 C ATOM 0 HA PRO A 59 -1.533 8.957 -18.457 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.044 9.985 -18.748 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.323 11.067 -18.565 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.609 10.090 -16.461 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.035 11.720 -16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.046 10.192 -14.794 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.034 11.324 -15.695 1.00 0.00 H new ATOM 907 N LYS A 60 0.921 7.402 -16.987 1.00 0.00 N ATOM 908 CA LYS A 60 1.727 6.187 -17.093 1.00 0.00 C ATOM 909 C LYS A 60 1.070 5.014 -16.382 1.00 0.00 C ATOM 910 O LYS A 60 0.927 3.939 -16.958 1.00 0.00 O ATOM 911 CB LYS A 60 3.117 6.414 -16.514 1.00 0.00 C ATOM 912 CG LYS A 60 3.085 6.690 -15.031 1.00 0.00 C ATOM 913 CD LYS A 60 4.099 7.754 -14.641 1.00 0.00 C ATOM 914 CE LYS A 60 5.506 7.372 -15.074 1.00 0.00 C ATOM 915 NZ LYS A 60 6.030 8.284 -16.128 1.00 0.00 N ATOM 0 H LYS A 60 1.041 7.921 -16.117 1.00 0.00 H new ATOM 0 HA LYS A 60 1.808 5.946 -18.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.734 5.536 -16.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.589 7.252 -17.027 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.086 7.015 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.292 5.770 -14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.823 8.705 -15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.077 7.900 -13.561 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.171 7.396 -14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.505 6.348 -15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.731 7.779 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.246 8.603 -16.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.480 9.108 -15.681 1.00 0.00 H new ATOM 929 N PHE A 61 0.657 5.221 -15.133 1.00 0.00 N ATOM 930 CA PHE A 61 0.009 4.164 -14.389 1.00 0.00 C ATOM 931 C PHE A 61 -1.283 3.786 -15.079 1.00 0.00 C ATOM 932 O PHE A 61 -1.800 2.693 -14.875 1.00 0.00 O ATOM 933 CB PHE A 61 -0.230 4.561 -12.939 1.00 0.00 C ATOM 934 CG PHE A 61 -0.678 3.410 -12.089 1.00 0.00 C ATOM 935 CD1 PHE A 61 0.249 2.587 -11.470 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.024 3.147 -11.915 1.00 0.00 C ATOM 937 CE1 PHE A 61 -0.161 1.525 -10.691 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.442 2.085 -11.138 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.508 1.273 -10.526 1.00 0.00 C ATOM 0 H PHE A 61 0.761 6.101 -14.628 1.00 0.00 H new ATOM 0 HA PHE A 61 0.668 3.296 -14.368 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.688 4.977 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.982 5.349 -12.902 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.304 2.779 -11.599 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.757 3.780 -12.393 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.571 0.892 -10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.496 1.890 -11.009 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.831 0.441 -9.918 1.00 0.00 H new ATOM 949 N ALA A 62 -1.769 4.662 -15.965 1.00 0.00 N ATOM 950 CA ALA A 62 -2.950 4.340 -16.742 1.00 0.00 C ATOM 951 C ALA A 62 -2.659 3.044 -17.506 1.00 0.00 C ATOM 952 O ALA A 62 -3.560 2.308 -17.908 1.00 0.00 O ATOM 953 CB ALA A 62 -3.288 5.480 -17.693 1.00 0.00 C ATOM 0 H ALA A 62 -1.366 5.580 -16.153 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.815 4.202 -16.093 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.177 5.222 -18.269 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.477 6.388 -17.120 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.452 5.647 -18.372 1.00 0.00 H new ATOM 959 N GLU A 63 -1.355 2.777 -17.647 1.00 0.00 N ATOM 960 CA GLU A 63 -0.827 1.587 -18.292 1.00 0.00 C ATOM 961 C GLU A 63 -1.067 0.364 -17.419 1.00 0.00 C ATOM 962 O GLU A 63 -0.944 -0.777 -17.871 1.00 0.00 O ATOM 963 CB GLU A 63 0.674 1.778 -18.537 1.00 0.00 C ATOM 964 CG GLU A 63 1.274 0.762 -19.494 1.00 0.00 C ATOM 965 CD GLU A 63 1.176 1.198 -20.943 1.00 0.00 C ATOM 966 OE1 GLU A 63 0.120 0.954 -21.566 1.00 0.00 O ATOM 967 OE2 GLU A 63 2.153 1.781 -21.456 1.00 0.00 O ATOM 0 H GLU A 63 -0.627 3.403 -17.304 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.335 1.432 -19.244 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.843 2.780 -18.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.199 1.719 -17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.321 0.600 -19.237 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.764 -0.193 -19.370 1.00 0.00 H new ATOM 974 N SER A 64 -1.419 0.615 -16.165 1.00 0.00 N ATOM 975 CA SER A 64 -1.695 -0.436 -15.204 1.00 0.00 C ATOM 976 C SER A 64 -2.808 -1.363 -15.680 1.00 0.00 C ATOM 977 O SER A 64 -3.202 -2.270 -14.953 1.00 0.00 O ATOM 978 CB SER A 64 -2.084 0.179 -13.868 1.00 0.00 C ATOM 979 OG SER A 64 -0.956 0.720 -13.201 1.00 0.00 O ATOM 0 H SER A 64 -1.520 1.557 -15.788 1.00 0.00 H new ATOM 0 HA SER A 64 -0.788 -1.030 -15.094 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.825 0.963 -14.028 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.552 -0.578 -13.239 1.00 0.00 H new ATOM 0 HG SER A 64 -1.245 1.437 -12.599 1.00 0.00 H new ATOM 985 N THR A 65 -3.309 -1.157 -16.900 1.00 0.00 N ATOM 986 CA THR A 65 -4.352 -2.019 -17.433 1.00 0.00 C ATOM 987 C THR A 65 -3.961 -3.467 -17.191 1.00 0.00 C ATOM 988 O THR A 65 -4.794 -4.305 -16.845 1.00 0.00 O ATOM 989 CB THR A 65 -4.554 -1.764 -18.927 1.00 0.00 C ATOM 990 OG1 THR A 65 -4.067 -0.484 -19.288 1.00 0.00 O ATOM 991 CG2 THR A 65 -6.002 -1.840 -19.354 1.00 0.00 C ATOM 0 H THR A 65 -3.010 -0.409 -17.526 1.00 0.00 H new ATOM 0 HA THR A 65 -5.294 -1.803 -16.929 1.00 0.00 H new ATOM 0 HB THR A 65 -3.999 -2.554 -19.433 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.456 0.193 -18.695 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.076 -1.650 -20.425 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.395 -2.833 -19.134 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.581 -1.092 -18.812 1.00 0.00 H new ATOM 999 N GLU A 66 -2.666 -3.736 -17.324 1.00 0.00 N ATOM 1000 CA GLU A 66 -2.142 -5.064 -17.072 1.00 0.00 C ATOM 1001 C GLU A 66 -1.997 -5.257 -15.576 1.00 0.00 C ATOM 1002 O GLU A 66 -2.189 -6.357 -15.059 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.791 -5.273 -17.763 1.00 0.00 C ATOM 1004 CG GLU A 66 -0.721 -6.561 -18.565 1.00 0.00 C ATOM 1005 CD GLU A 66 0.614 -7.264 -18.424 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.949 -7.679 -17.294 1.00 0.00 O ATOM 1007 OE2 GLU A 66 1.324 -7.402 -19.442 1.00 0.00 O ATOM 0 H GLU A 66 -1.965 -3.050 -17.605 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.836 -5.799 -17.480 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.595 -4.430 -18.425 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.002 -5.278 -17.011 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.516 -7.231 -18.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.902 -6.340 -19.617 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.689 -4.168 -14.873 1.00 0.00 N ATOM 1015 CA ILE A 67 -1.565 -4.234 -13.428 1.00 0.00 C ATOM 1016 C ILE A 67 -2.932 -4.500 -12.803 1.00 0.00 C ATOM 1017 O ILE A 67 -3.028 -4.897 -11.640 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.959 -2.940 -12.841 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.433 -2.694 -13.427 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.893 -3.018 -11.322 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.140 -1.494 -12.830 1.00 0.00 C ATOM 0 H ILE A 67 -1.524 -3.246 -15.277 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.885 -5.052 -13.190 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.603 -2.103 -13.111 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.046 -3.581 -13.270 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.345 -2.554 -14.504 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.463 -2.097 -10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.898 -3.150 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.271 -3.863 -11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.120 -1.382 -13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.548 -0.596 -13.010 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.261 -1.640 -11.757 1.00 0.00 H new ATOM 1033 N SER A 68 -3.989 -4.303 -13.594 1.00 0.00 N ATOM 1034 CA SER A 68 -5.344 -4.546 -13.121 1.00 0.00 C ATOM 1035 C SER A 68 -5.557 -6.037 -12.904 1.00 0.00 C ATOM 1036 O SER A 68 -6.334 -6.449 -12.044 1.00 0.00 O ATOM 1037 CB SER A 68 -6.366 -4.009 -14.126 1.00 0.00 C ATOM 1038 OG SER A 68 -7.551 -3.588 -13.473 1.00 0.00 O ATOM 0 H SER A 68 -3.929 -3.978 -14.559 1.00 0.00 H new ATOM 0 HA SER A 68 -5.483 -4.024 -12.174 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.934 -3.173 -14.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.604 -4.783 -14.856 1.00 0.00 H new ATOM 0 HG SER A 68 -8.187 -3.248 -14.137 1.00 0.00 H new ATOM 1044 N GLU A 69 -4.846 -6.842 -13.690 1.00 0.00 N ATOM 1045 CA GLU A 69 -4.940 -8.290 -13.587 1.00 0.00 C ATOM 1046 C GLU A 69 -3.811 -8.835 -12.719 1.00 0.00 C ATOM 1047 O GLU A 69 -3.976 -9.838 -12.026 1.00 0.00 O ATOM 1048 CB GLU A 69 -4.892 -8.930 -14.975 1.00 0.00 C ATOM 1049 CG GLU A 69 -5.790 -8.244 -15.992 1.00 0.00 C ATOM 1050 CD GLU A 69 -7.242 -8.208 -15.558 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -7.524 -7.660 -14.471 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -8.098 -8.728 -16.303 1.00 0.00 O ATOM 0 H GLU A 69 -4.198 -6.512 -14.405 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.893 -8.540 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.865 -8.912 -15.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.183 -9.977 -14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.438 -7.225 -16.153 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.713 -8.763 -16.947 1.00 0.00 H new ATOM 1059 N LEU A 70 -2.668 -8.159 -12.757 1.00 0.00 N ATOM 1060 CA LEU A 70 -1.513 -8.566 -11.967 1.00 0.00 C ATOM 1061 C LEU A 70 -1.861 -8.598 -10.486 1.00 0.00 C ATOM 1062 O LEU A 70 -1.239 -9.316 -9.713 1.00 0.00 O ATOM 1063 CB LEU A 70 -0.343 -7.608 -12.205 1.00 0.00 C ATOM 1064 CG LEU A 70 0.864 -8.221 -12.910 1.00 0.00 C ATOM 1065 CD1 LEU A 70 0.518 -8.536 -14.354 1.00 0.00 C ATOM 1066 CD2 LEU A 70 2.061 -7.285 -12.833 1.00 0.00 C ATOM 0 H LEU A 70 -2.517 -7.327 -13.327 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.222 -9.569 -12.280 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.699 -6.764 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.019 -7.210 -11.244 1.00 0.00 H new ATOM 0 HG LEU A 70 1.130 -9.150 -12.406 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.385 -8.973 -14.849 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.311 -9.243 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.231 -7.619 -14.868 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.912 -7.739 -13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.814 -6.339 -13.314 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.316 -7.105 -11.789 1.00 0.00 H new ATOM 1078 N SER A 71 -2.862 -7.814 -10.097 1.00 0.00 N ATOM 1079 CA SER A 71 -3.295 -7.738 -8.698 1.00 0.00 C ATOM 1080 C SER A 71 -3.392 -9.112 -8.031 1.00 0.00 C ATOM 1081 O SER A 71 -3.393 -9.210 -6.806 1.00 0.00 O ATOM 1082 CB SER A 71 -4.649 -7.049 -8.602 1.00 0.00 C ATOM 1083 OG SER A 71 -4.530 -5.758 -8.031 1.00 0.00 O ATOM 0 H SER A 71 -3.393 -7.218 -10.732 1.00 0.00 H new ATOM 0 HA SER A 71 -2.534 -7.163 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.091 -6.970 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.326 -7.655 -7.999 1.00 0.00 H new ATOM 0 HG SER A 71 -5.414 -5.339 -7.983 1.00 0.00 H new ATOM 1089 N HIS A 72 -3.451 -10.171 -8.827 1.00 0.00 N ATOM 1090 CA HIS A 72 -3.524 -11.524 -8.288 1.00 0.00 C ATOM 1091 C HIS A 72 -2.348 -11.790 -7.352 1.00 0.00 C ATOM 1092 O HIS A 72 -2.342 -12.767 -6.602 1.00 0.00 O ATOM 1093 CB HIS A 72 -3.532 -12.549 -9.422 1.00 0.00 C ATOM 1094 CG HIS A 72 -2.335 -12.460 -10.317 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -1.014 -12.411 -10.027 1.00 0.00 N flip ATOM 1096 CD2 HIS A 72 -2.425 -12.409 -11.693 1.00 0.00 C flip ATOM 1097 CE1 HIS A 72 -0.337 -12.332 -11.220 1.00 0.00 C flip ATOM 1098 NE2 HIS A 72 -1.211 -12.334 -12.208 1.00 0.00 N flip ATOM 0 H HIS A 72 -3.450 -10.121 -9.846 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.451 -11.618 -7.722 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.583 -13.551 -8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.433 -12.411 -10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.344 -12.428 -12.260 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.736 -12.277 -11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.987 -12.286 -13.202 1.00 0.00 H new ATOM 1107 N ASN A 73 -1.346 -10.914 -7.411 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.154 -11.049 -6.578 1.00 0.00 C ATOM 1109 C ASN A 73 -0.431 -10.609 -5.140 1.00 0.00 C ATOM 1110 O ASN A 73 0.129 -11.163 -4.194 1.00 0.00 O ATOM 1111 CB ASN A 73 1.024 -10.248 -7.157 1.00 0.00 C ATOM 1112 CG ASN A 73 0.610 -9.071 -8.020 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -0.184 -8.231 -7.601 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.145 -9.003 -9.239 1.00 0.00 N ATOM 0 H ASN A 73 -1.337 -10.102 -8.028 1.00 0.00 H new ATOM 0 HA ASN A 73 0.117 -12.105 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.640 -9.883 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.648 -10.917 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.899 -8.233 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.800 -9.720 -9.549 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.308 -9.622 -4.986 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.680 -9.106 -3.679 1.00 0.00 C ATOM 1123 C PHE A 74 -2.723 -7.995 -3.816 1.00 0.00 C ATOM 1124 O PHE A 74 -3.377 -7.886 -4.851 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.449 -8.644 -2.892 1.00 0.00 C ATOM 1126 CG PHE A 74 0.314 -7.488 -3.477 1.00 0.00 C ATOM 1127 CD1 PHE A 74 0.273 -7.198 -4.831 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.103 -6.700 -2.653 1.00 0.00 C ATOM 1129 CE1 PHE A 74 1.002 -6.145 -5.349 1.00 0.00 C ATOM 1130 CE2 PHE A 74 1.829 -5.647 -3.164 1.00 0.00 C ATOM 1131 CZ PHE A 74 1.782 -5.369 -4.513 1.00 0.00 C ATOM 0 H PHE A 74 -1.779 -9.160 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.134 -9.915 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.767 -8.371 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.232 -9.489 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.335 -7.801 -5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.149 -6.915 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.962 -5.929 -6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.435 -5.040 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.354 -4.546 -4.916 1.00 0.00 H new ATOM 1141 N VAL A 75 -2.904 -7.183 -2.777 1.00 0.00 N ATOM 1142 CA VAL A 75 -3.902 -6.118 -2.831 1.00 0.00 C ATOM 1143 C VAL A 75 -3.461 -4.916 -2.012 1.00 0.00 C ATOM 1144 O VAL A 75 -2.888 -5.069 -0.937 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.268 -6.610 -2.311 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.151 -7.103 -0.876 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.312 -5.509 -2.419 1.00 0.00 C ATOM 0 H VAL A 75 -2.383 -7.240 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.002 -5.824 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.589 -7.446 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.126 -7.446 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.439 -7.928 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.804 -6.289 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.268 -5.877 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.998 -4.650 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.419 -5.210 -3.462 1.00 0.00 H new ATOM 1157 N MET A 76 -3.705 -3.712 -2.518 1.00 0.00 N ATOM 1158 CA MET A 76 -3.294 -2.526 -1.803 1.00 0.00 C ATOM 1159 C MET A 76 -4.465 -1.590 -1.511 1.00 0.00 C ATOM 1160 O MET A 76 -5.620 -1.881 -1.847 1.00 0.00 O ATOM 1161 CB MET A 76 -2.185 -1.813 -2.567 1.00 0.00 C ATOM 1162 CG MET A 76 -1.848 -2.432 -3.922 1.00 0.00 C ATOM 1163 SD MET A 76 -1.046 -4.044 -3.794 1.00 0.00 S ATOM 1164 CE MET A 76 -1.788 -4.899 -5.181 1.00 0.00 C ATOM 0 H MET A 76 -4.177 -3.540 -3.405 1.00 0.00 H new ATOM 0 HA MET A 76 -2.905 -2.839 -0.834 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.477 -0.774 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.285 -1.805 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.764 -2.535 -4.504 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.196 -1.753 -4.471 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.009 -5.928 -4.898 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.711 -4.395 -5.467 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.096 -4.895 -6.023 1.00 0.00 H new ATOM 1174 N VAL A 77 -4.159 -0.482 -0.843 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.178 0.482 -0.457 1.00 0.00 C ATOM 1176 C VAL A 77 -4.675 1.913 -0.575 1.00 0.00 C ATOM 1177 O VAL A 77 -3.548 2.222 -0.197 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.635 0.209 0.991 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -6.053 1.483 1.715 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.758 -0.811 0.993 1.00 0.00 C ATOM 0 H VAL A 77 -3.212 -0.231 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.020 0.366 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.784 -0.195 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.366 1.239 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.211 2.174 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.882 1.949 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.076 -1.000 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.600 -0.427 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.406 -1.741 0.546 1.00 0.00 H new ATOM 1190 N ASN A 78 -5.527 2.790 -1.093 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.169 4.186 -1.245 1.00 0.00 C ATOM 1192 C ASN A 78 -6.111 5.087 -0.459 1.00 0.00 C ATOM 1193 O ASN A 78 -7.319 5.106 -0.699 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.180 4.582 -2.720 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.453 6.055 -2.929 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -4.604 6.879 -2.343 1.00 0.00 O flip ATOM 1197 ND2 ASN A 78 -6.407 6.440 -3.604 1.00 0.00 N flip ATOM 0 H ASN A 78 -6.467 2.555 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.162 4.315 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.219 4.328 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.938 3.999 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.034 5.761 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.571 7.439 -3.732 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.546 5.844 0.467 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.334 6.768 1.275 1.00 0.00 C ATOM 1206 C LEU A 79 -5.792 8.197 1.170 1.00 0.00 C ATOM 1207 O LEU A 79 -4.645 8.420 0.757 1.00 0.00 O ATOM 1208 CB LEU A 79 -6.384 6.309 2.739 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.227 6.782 3.620 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -5.551 8.123 4.260 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.910 5.742 4.686 1.00 0.00 C ATOM 0 H LEU A 79 -4.548 5.839 0.680 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.351 6.768 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.318 6.658 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.410 5.219 2.759 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.347 6.910 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.714 8.441 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.726 8.865 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.445 8.026 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.084 6.095 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.789 5.582 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.630 4.804 4.207 1.00 0.00 H new ATOM 1223 N GLU A 80 -6.635 9.158 1.538 1.00 0.00 N ATOM 1224 CA GLU A 80 -6.268 10.567 1.489 1.00 0.00 C ATOM 1225 C GLU A 80 -6.780 11.301 2.725 1.00 0.00 C ATOM 1226 O GLU A 80 -7.239 10.679 3.683 1.00 0.00 O ATOM 1227 CB GLU A 80 -6.834 11.216 0.224 1.00 0.00 C ATOM 1228 CG GLU A 80 -5.858 12.154 -0.467 1.00 0.00 C ATOM 1229 CD GLU A 80 -6.559 13.222 -1.285 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -7.162 12.874 -2.322 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -6.509 14.404 -0.887 1.00 0.00 O ATOM 0 H GLU A 80 -7.582 8.983 1.875 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.180 10.637 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.130 10.433 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.736 11.770 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.226 12.631 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.201 11.576 -1.117 1.00 0.00 H new ATOM 1238 N ASP A 81 -6.696 12.628 2.697 1.00 0.00 N ATOM 1239 CA ASP A 81 -7.148 13.454 3.813 1.00 0.00 C ATOM 1240 C ASP A 81 -8.565 13.080 4.245 1.00 0.00 C ATOM 1241 O ASP A 81 -8.942 13.275 5.400 1.00 0.00 O ATOM 1242 CB ASP A 81 -7.099 14.933 3.426 1.00 0.00 C ATOM 1243 CG ASP A 81 -7.116 15.848 4.635 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -8.125 15.840 5.371 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -6.121 16.572 4.845 1.00 0.00 O ATOM 0 H ASP A 81 -6.318 13.156 1.911 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.478 13.275 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.198 15.123 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.949 15.166 2.785 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.345 12.544 3.311 1.00 0.00 N ATOM 1251 CA GLU A 82 -10.720 12.149 3.597 1.00 0.00 C ATOM 1252 C GLU A 82 -10.778 11.154 4.754 1.00 0.00 C ATOM 1253 O GLU A 82 -11.657 11.237 5.612 1.00 0.00 O ATOM 1254 CB GLU A 82 -11.366 11.539 2.349 1.00 0.00 C ATOM 1255 CG GLU A 82 -12.123 12.549 1.503 1.00 0.00 C ATOM 1256 CD GLU A 82 -13.406 13.018 2.162 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -13.336 13.923 3.020 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -14.479 12.480 1.820 1.00 0.00 O ATOM 0 H GLU A 82 -9.048 12.373 2.350 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.274 13.042 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.591 11.074 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.050 10.747 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.482 13.409 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.357 12.104 0.536 1.00 0.00 H new ATOM 1265 N GLU A 83 -9.840 10.214 4.770 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.786 9.205 5.823 1.00 0.00 C ATOM 1267 C GLU A 83 -8.356 9.012 6.318 1.00 0.00 C ATOM 1268 O GLU A 83 -7.877 7.883 6.442 1.00 0.00 O ATOM 1269 CB GLU A 83 -10.349 7.877 5.312 1.00 0.00 C ATOM 1270 CG GLU A 83 -9.572 7.298 4.141 1.00 0.00 C ATOM 1271 CD GLU A 83 -10.476 6.817 3.022 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -11.531 7.445 2.798 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -10.127 5.809 2.370 1.00 0.00 O ATOM 0 H GLU A 83 -9.106 10.129 4.066 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.395 9.551 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.352 7.155 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.387 8.023 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.890 8.055 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.960 6.467 4.491 1.00 0.00 H new ATOM 1280 N GLU A 84 -7.676 10.119 6.599 1.00 0.00 N ATOM 1281 CA GLU A 84 -6.300 10.073 7.080 1.00 0.00 C ATOM 1282 C GLU A 84 -6.228 9.459 8.478 1.00 0.00 C ATOM 1283 O GLU A 84 -6.699 10.054 9.447 1.00 0.00 O ATOM 1284 CB GLU A 84 -5.698 11.480 7.100 1.00 0.00 C ATOM 1285 CG GLU A 84 -4.258 11.519 7.588 1.00 0.00 C ATOM 1286 CD GLU A 84 -4.088 12.354 8.842 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -4.398 13.565 8.797 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -3.645 11.801 9.870 1.00 0.00 O ATOM 0 H GLU A 84 -8.056 11.060 6.502 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.726 9.446 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.744 11.900 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.307 12.118 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.918 10.502 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.622 11.921 6.799 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.633 8.258 8.607 1.00 0.00 N ATOM 1296 CA PRO A 85 -5.505 7.577 9.900 1.00 0.00 C ATOM 1297 C PRO A 85 -4.707 8.402 10.904 1.00 0.00 C ATOM 1298 O PRO A 85 -4.294 9.523 10.611 1.00 0.00 O ATOM 1299 CB PRO A 85 -4.756 6.282 9.562 1.00 0.00 C ATOM 1300 CG PRO A 85 -4.944 6.093 8.096 1.00 0.00 C ATOM 1301 CD PRO A 85 -5.041 7.472 7.512 1.00 0.00 C ATOM 0 HA PRO A 85 -6.476 7.408 10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.699 6.361 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.157 5.437 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.108 5.543 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.846 5.517 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.063 7.857 7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.667 7.489 6.620 1.00 0.00 H new ATOM 1309 N LYS A 86 -4.493 7.840 12.088 1.00 0.00 N ATOM 1310 CA LYS A 86 -3.742 8.525 13.133 1.00 0.00 C ATOM 1311 C LYS A 86 -2.560 7.678 13.599 1.00 0.00 C ATOM 1312 O LYS A 86 -2.464 7.320 14.773 1.00 0.00 O ATOM 1313 CB LYS A 86 -4.655 8.849 14.318 1.00 0.00 C ATOM 1314 CG LYS A 86 -5.477 10.113 14.123 1.00 0.00 C ATOM 1315 CD LYS A 86 -6.814 10.027 14.845 1.00 0.00 C ATOM 1316 CE LYS A 86 -6.812 10.849 16.123 1.00 0.00 C ATOM 1317 NZ LYS A 86 -8.113 11.539 16.342 1.00 0.00 N ATOM 0 H LYS A 86 -4.829 6.913 12.348 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.355 9.456 12.718 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.329 8.009 14.487 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.047 8.956 15.216 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.918 10.972 14.493 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.647 10.277 13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.608 10.379 14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.035 8.986 15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.598 10.200 16.972 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.012 11.588 16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.070 12.089 17.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.306 12.178 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.873 10.833 16.411 1.00 0.00 H new ATOM 1331 N ASP A 87 -1.664 7.358 12.670 1.00 0.00 N ATOM 1332 CA ASP A 87 -0.490 6.554 12.987 1.00 0.00 C ATOM 1333 C ASP A 87 0.499 6.546 11.823 1.00 0.00 C ATOM 1334 O ASP A 87 0.365 7.317 10.873 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.908 5.121 13.331 1.00 0.00 C ATOM 1336 CG ASP A 87 -0.486 4.717 14.730 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -1.210 5.054 15.690 1.00 0.00 O ATOM 1338 OD2 ASP A 87 0.570 4.063 14.865 1.00 0.00 O ATOM 0 H ASP A 87 -1.729 7.643 11.693 1.00 0.00 H new ATOM 0 HA ASP A 87 0.003 6.999 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.990 5.029 13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.468 4.434 12.609 1.00 0.00 H new ATOM 1343 N GLU A 88 1.493 5.668 11.906 1.00 0.00 N ATOM 1344 CA GLU A 88 2.511 5.551 10.866 1.00 0.00 C ATOM 1345 C GLU A 88 1.908 5.074 9.544 1.00 0.00 C ATOM 1346 O GLU A 88 2.552 5.155 8.497 1.00 0.00 O ATOM 1347 CB GLU A 88 3.613 4.588 11.310 1.00 0.00 C ATOM 1348 CG GLU A 88 4.352 5.043 12.558 1.00 0.00 C ATOM 1349 CD GLU A 88 4.966 6.421 12.402 1.00 0.00 C ATOM 1350 OE1 GLU A 88 4.213 7.416 12.457 1.00 0.00 O ATOM 1351 OE2 GLU A 88 6.200 6.505 12.224 1.00 0.00 O ATOM 0 H GLU A 88 1.616 5.023 12.687 1.00 0.00 H new ATOM 0 HA GLU A 88 2.938 6.541 10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.174 3.607 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.329 4.469 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.662 5.050 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.137 4.324 12.794 1.00 0.00 H new ATOM 1358 N ASP A 89 0.678 4.565 9.598 1.00 0.00 N ATOM 1359 CA ASP A 89 -0.003 4.061 8.408 1.00 0.00 C ATOM 1360 C ASP A 89 0.073 5.041 7.230 1.00 0.00 C ATOM 1361 O ASP A 89 -0.135 4.645 6.084 1.00 0.00 O ATOM 1362 CB ASP A 89 -1.463 3.736 8.728 1.00 0.00 C ATOM 1363 CG ASP A 89 -1.614 2.401 9.440 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -1.368 1.351 8.803 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -1.977 2.406 10.635 1.00 0.00 O ATOM 0 H ASP A 89 0.132 4.491 10.456 1.00 0.00 H new ATOM 0 HA ASP A 89 0.515 3.151 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.881 4.527 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.040 3.720 7.804 1.00 0.00 H new ATOM 1370 N PHE A 90 0.372 6.312 7.504 1.00 0.00 N ATOM 1371 CA PHE A 90 0.471 7.313 6.440 1.00 0.00 C ATOM 1372 C PHE A 90 1.921 7.746 6.216 1.00 0.00 C ATOM 1373 O PHE A 90 2.292 8.172 5.116 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.400 8.531 6.757 1.00 0.00 C ATOM 1375 CG PHE A 90 -0.198 9.088 8.139 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.016 9.647 8.507 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -1.225 9.056 9.068 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.200 10.165 9.775 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -1.046 9.571 10.338 1.00 0.00 C ATOM 1380 CZ PHE A 90 0.169 10.126 10.692 1.00 0.00 C ATOM 0 H PHE A 90 0.548 6.670 8.443 1.00 0.00 H new ATOM 0 HA PHE A 90 0.108 6.852 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.191 9.313 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.448 8.256 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.827 9.678 7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.177 8.624 8.797 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.150 10.600 10.048 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.855 9.540 11.053 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.312 10.528 11.684 1.00 0.00 H new ATOM 1390 N SER A 91 2.736 7.633 7.262 1.00 0.00 N ATOM 1391 CA SER A 91 4.145 8.006 7.186 1.00 0.00 C ATOM 1392 C SER A 91 4.933 7.374 8.334 1.00 0.00 C ATOM 1393 O SER A 91 4.909 7.872 9.458 1.00 0.00 O ATOM 1394 CB SER A 91 4.298 9.529 7.228 1.00 0.00 C ATOM 1395 OG SER A 91 3.427 10.153 6.300 1.00 0.00 O ATOM 0 H SER A 91 2.443 7.285 8.175 1.00 0.00 H new ATOM 0 HA SER A 91 4.543 7.635 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.084 9.892 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.329 9.801 7.004 1.00 0.00 H new ATOM 0 HG SER A 91 3.229 9.532 5.569 1.00 0.00 H new ATOM 1401 N PRO A 92 5.637 6.258 8.067 1.00 0.00 N ATOM 1402 CA PRO A 92 6.420 5.561 9.074 1.00 0.00 C ATOM 1403 C PRO A 92 7.857 6.075 9.165 1.00 0.00 C ATOM 1404 O PRO A 92 8.198 6.818 10.086 1.00 0.00 O ATOM 1405 CB PRO A 92 6.385 4.110 8.588 1.00 0.00 C ATOM 1406 CG PRO A 92 6.134 4.173 7.110 1.00 0.00 C ATOM 1407 CD PRO A 92 5.723 5.587 6.764 1.00 0.00 C ATOM 0 HA PRO A 92 6.020 5.701 10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.326 3.604 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.599 3.548 9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.031 3.892 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.352 3.469 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.454 6.068 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.768 5.609 6.240 1.00 0.00 H new ATOM 1415 N ASP A 93 8.696 5.676 8.213 1.00 0.00 N ATOM 1416 CA ASP A 93 10.092 6.103 8.199 1.00 0.00 C ATOM 1417 C ASP A 93 10.263 7.372 7.370 1.00 0.00 C ATOM 1418 O ASP A 93 11.045 7.409 6.421 1.00 0.00 O ATOM 1419 CB ASP A 93 10.983 4.986 7.651 1.00 0.00 C ATOM 1420 CG ASP A 93 12.273 4.841 8.432 1.00 0.00 C ATOM 1421 OD1 ASP A 93 13.064 5.807 8.456 1.00 0.00 O ATOM 1422 OD2 ASP A 93 12.492 3.761 9.021 1.00 0.00 O ATOM 0 H ASP A 93 8.435 5.060 7.443 1.00 0.00 H new ATOM 0 HA ASP A 93 10.393 6.322 9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.437 4.043 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.215 5.190 6.606 1.00 0.00 H new ATOM 1427 N GLY A 94 9.522 8.414 7.736 1.00 0.00 N ATOM 1428 CA GLY A 94 9.604 9.671 7.019 1.00 0.00 C ATOM 1429 C GLY A 94 8.722 10.741 7.629 1.00 0.00 C ATOM 1430 O GLY A 94 8.008 10.488 8.599 1.00 0.00 O ATOM 0 H GLY A 94 8.866 8.409 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.638 10.016 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.314 9.513 5.980 1.00 0.00 H new ATOM 1434 N GLY A 95 8.770 11.941 7.057 1.00 0.00 N ATOM 1435 CA GLY A 95 7.964 13.037 7.565 1.00 0.00 C ATOM 1436 C GLY A 95 7.080 13.658 6.499 1.00 0.00 C ATOM 1437 O GLY A 95 6.334 14.598 6.778 1.00 0.00 O ATOM 0 H GLY A 95 9.352 12.174 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.340 12.675 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.620 13.803 7.979 1.00 0.00 H new ATOM 1441 N TYR A 96 7.160 13.140 5.275 1.00 0.00 N ATOM 1442 CA TYR A 96 6.356 13.654 4.170 1.00 0.00 C ATOM 1443 C TYR A 96 4.867 13.629 4.519 1.00 0.00 C ATOM 1444 O TYR A 96 4.499 13.388 5.668 1.00 0.00 O ATOM 1445 CB TYR A 96 6.621 12.848 2.896 1.00 0.00 C ATOM 1446 CG TYR A 96 6.705 11.350 3.108 1.00 0.00 C ATOM 1447 CD1 TYR A 96 6.166 10.742 4.238 1.00 0.00 C ATOM 1448 CD2 TYR A 96 7.314 10.543 2.160 1.00 0.00 C ATOM 1449 CE1 TYR A 96 6.240 9.373 4.413 1.00 0.00 C ATOM 1450 CE2 TYR A 96 7.389 9.176 2.326 1.00 0.00 C ATOM 1451 CZ TYR A 96 6.852 8.595 3.455 1.00 0.00 C ATOM 1452 OH TYR A 96 6.923 7.232 3.626 1.00 0.00 O ATOM 0 H TYR A 96 7.774 12.365 5.024 1.00 0.00 H new ATOM 0 HA TYR A 96 6.645 14.690 3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.829 13.057 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.554 13.192 2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.683 11.349 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.738 10.993 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.820 8.915 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.866 8.564 1.575 1.00 0.00 H new ATOM 0 HH TYR A 96 7.838 6.928 3.453 1.00 0.00 H new ATOM 1462 N ILE A 97 4.011 13.901 3.535 1.00 0.00 N ATOM 1463 CA ILE A 97 2.572 13.926 3.780 1.00 0.00 C ATOM 1464 C ILE A 97 1.748 13.631 2.491 1.00 0.00 C ATOM 1465 O ILE A 97 1.077 14.604 2.147 1.00 0.00 O ATOM 1466 CB ILE A 97 2.154 15.303 4.301 1.00 0.00 C ATOM 1467 CG1 ILE A 97 2.704 16.380 3.373 1.00 0.00 C ATOM 1468 CG2 ILE A 97 2.653 15.511 5.716 1.00 0.00 C ATOM 1469 CD1 ILE A 97 1.678 17.415 2.988 1.00 0.00 C ATOM 0 H ILE A 97 4.285 14.104 2.574 1.00 0.00 H new ATOM 0 HA ILE A 97 2.366 13.148 4.515 1.00 0.00 H new ATOM 0 HB ILE A 97 1.066 15.366 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.544 16.875 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.091 15.909 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.346 16.495 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.232 14.745 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.741 15.443 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.135 18.152 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.848 16.931 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.308 17.912 3.885 1.00 0.00 H new ATOM 1481 N PRO A 98 1.087 12.446 2.531 1.00 0.00 N ATOM 1482 CA PRO A 98 1.405 11.020 2.852 1.00 0.00 C ATOM 1483 C PRO A 98 1.952 10.338 1.612 1.00 0.00 C ATOM 1484 O PRO A 98 1.731 10.826 0.500 1.00 0.00 O ATOM 1485 CB PRO A 98 0.073 10.402 3.245 1.00 0.00 C ATOM 1486 CG PRO A 98 -0.387 11.441 4.123 1.00 0.00 C ATOM 1487 CD PRO A 98 0.769 12.386 4.031 1.00 0.00 C ATOM 0 HA PRO A 98 2.149 10.921 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.588 10.243 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.183 9.441 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.321 11.890 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.555 11.085 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.511 13.370 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.623 12.028 4.605 1.00 0.00 H new ATOM 1495 N ARG A 99 2.684 9.240 1.801 1.00 0.00 N ATOM 1496 CA ARG A 99 3.290 8.521 0.684 1.00 0.00 C ATOM 1497 C ARG A 99 2.883 7.045 0.657 1.00 0.00 C ATOM 1498 O ARG A 99 1.967 6.634 1.368 1.00 0.00 O ATOM 1499 CB ARG A 99 4.806 8.650 0.777 1.00 0.00 C ATOM 1500 CG ARG A 99 5.379 9.748 -0.103 1.00 0.00 C ATOM 1501 CD ARG A 99 4.862 11.128 0.286 1.00 0.00 C ATOM 1502 NE ARG A 99 5.319 12.160 -0.644 1.00 0.00 N ATOM 1503 CZ ARG A 99 4.540 13.123 -1.138 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.261 13.208 -0.791 1.00 0.00 N ATOM 1505 NH2 ARG A 99 5.047 14.010 -1.981 1.00 0.00 N ATOM 0 H ARG A 99 2.871 8.831 2.716 1.00 0.00 H new ATOM 0 HA ARG A 99 2.930 8.965 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.083 8.845 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.261 7.699 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.467 9.737 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.125 9.547 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.772 11.115 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.198 11.372 1.294 1.00 0.00 H new ATOM 0 HE ARG A 99 6.297 12.142 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.863 12.532 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.676 13.950 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.029 13.955 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.455 14.748 -2.361 1.00 0.00 H new ATOM 1519 N ILE A 100 3.560 6.259 -0.188 1.00 0.00 N ATOM 1520 CA ILE A 100 3.259 4.834 -0.327 1.00 0.00 C ATOM 1521 C ILE A 100 3.798 4.023 0.855 1.00 0.00 C ATOM 1522 O ILE A 100 4.897 4.273 1.339 1.00 0.00 O ATOM 1523 CB ILE A 100 3.800 4.284 -1.670 1.00 0.00 C ATOM 1524 CG1 ILE A 100 2.863 3.204 -2.203 1.00 0.00 C ATOM 1525 CG2 ILE A 100 5.231 3.759 -1.552 1.00 0.00 C ATOM 1526 CD1 ILE A 100 2.961 1.889 -1.469 1.00 0.00 C ATOM 0 H ILE A 100 4.319 6.588 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 100 2.174 4.727 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 100 3.833 5.112 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.837 3.566 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.081 3.037 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.562 3.385 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.889 4.566 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.263 2.951 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.264 1.175 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.977 1.502 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.713 2.039 -0.418 1.00 0.00 H new ATOM 1538 N LEU A 101 2.999 3.068 1.335 1.00 0.00 N ATOM 1539 CA LEU A 101 3.390 2.252 2.488 1.00 0.00 C ATOM 1540 C LEU A 101 3.047 0.778 2.313 1.00 0.00 C ATOM 1541 O LEU A 101 1.874 0.421 2.200 1.00 0.00 O ATOM 1542 CB LEU A 101 2.675 2.748 3.749 1.00 0.00 C ATOM 1543 CG LEU A 101 3.249 4.003 4.400 1.00 0.00 C ATOM 1544 CD1 LEU A 101 3.167 5.178 3.446 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.500 4.315 5.687 1.00 0.00 C ATOM 0 H LEU A 101 2.083 2.841 0.947 1.00 0.00 H new ATOM 0 HA LEU A 101 4.472 2.350 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.632 2.939 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.684 1.945 4.486 1.00 0.00 H new ATOM 0 HG LEU A 101 4.297 3.824 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.580 6.065 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.736 4.954 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.125 5.360 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.918 5.212 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.446 4.479 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.599 3.478 6.378 1.00 0.00 H new ATOM 1557 N PHE A 102 4.059 -0.087 2.355 1.00 0.00 N ATOM 1558 CA PHE A 102 3.810 -1.516 2.267 1.00 0.00 C ATOM 1559 C PHE A 102 3.573 -2.049 3.678 1.00 0.00 C ATOM 1560 O PHE A 102 4.179 -1.564 4.641 1.00 0.00 O ATOM 1561 CB PHE A 102 4.983 -2.233 1.604 1.00 0.00 C ATOM 1562 CG PHE A 102 4.935 -2.204 0.103 1.00 0.00 C ATOM 1563 CD1 PHE A 102 5.268 -1.054 -0.594 1.00 0.00 C ATOM 1564 CD2 PHE A 102 4.557 -3.330 -0.613 1.00 0.00 C ATOM 1565 CE1 PHE A 102 5.226 -1.025 -1.975 1.00 0.00 C ATOM 1566 CE2 PHE A 102 4.513 -3.307 -1.994 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.848 -2.153 -2.675 1.00 0.00 C ATOM 0 H PHE A 102 5.041 0.174 2.448 1.00 0.00 H new ATOM 0 HA PHE A 102 2.930 -1.700 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.914 -1.775 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.000 -3.270 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.564 -0.169 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.294 -4.235 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.488 -0.122 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.217 -4.190 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.814 -2.133 -3.754 1.00 0.00 H new ATOM 1577 N LEU A 103 2.669 -3.011 3.827 1.00 0.00 N ATOM 1578 CA LEU A 103 2.366 -3.533 5.154 1.00 0.00 C ATOM 1579 C LEU A 103 2.034 -5.023 5.140 1.00 0.00 C ATOM 1580 O LEU A 103 1.903 -5.638 4.082 1.00 0.00 O ATOM 1581 CB LEU A 103 1.217 -2.732 5.767 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.178 -3.045 5.231 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.200 -2.089 5.811 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.194 -2.969 3.718 1.00 0.00 C ATOM 0 H LEU A 103 2.144 -3.437 3.064 1.00 0.00 H new ATOM 0 HA LEU A 103 3.262 -3.422 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.217 -2.900 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.415 -1.672 5.610 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.439 -4.059 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.187 -2.329 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.210 -2.182 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.938 -1.067 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.196 -3.195 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.090 -1.966 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.512 -3.692 3.310 1.00 0.00 H new ATOM 1596 N ASP A 104 1.911 -5.591 6.340 1.00 0.00 N ATOM 1597 CA ASP A 104 1.609 -7.010 6.498 1.00 0.00 C ATOM 1598 C ASP A 104 0.136 -7.305 6.215 1.00 0.00 C ATOM 1599 O ASP A 104 -0.732 -6.456 6.439 1.00 0.00 O ATOM 1600 CB ASP A 104 1.966 -7.471 7.912 1.00 0.00 C ATOM 1601 CG ASP A 104 3.405 -7.935 8.021 1.00 0.00 C ATOM 1602 OD1 ASP A 104 4.309 -7.073 8.014 1.00 0.00 O ATOM 1603 OD2 ASP A 104 3.629 -9.160 8.115 1.00 0.00 O ATOM 0 H ASP A 104 2.017 -5.085 7.220 1.00 0.00 H new ATOM 0 HA ASP A 104 2.210 -7.559 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.797 -6.653 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.302 -8.284 8.205 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.155 -8.533 5.722 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.520 -8.964 5.401 1.00 0.00 C ATOM 1610 C PRO A 105 -2.458 -8.866 6.596 1.00 0.00 C ATOM 1611 O PRO A 105 -2.526 -9.777 7.422 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.358 -10.430 4.979 1.00 0.00 C ATOM 1613 CG PRO A 105 0.077 -10.578 4.606 1.00 0.00 C ATOM 1614 CD PRO A 105 0.836 -9.590 5.448 1.00 0.00 C ATOM 0 HA PRO A 105 -1.964 -8.333 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.624 -11.105 5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.009 -10.671 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.424 -11.594 4.791 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.225 -10.379 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.201 -10.045 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.705 -9.197 4.920 1.00 0.00 H new ATOM 1622 N SER A 106 -3.180 -7.752 6.672 1.00 0.00 N ATOM 1623 CA SER A 106 -4.132 -7.499 7.755 1.00 0.00 C ATOM 1624 C SER A 106 -4.368 -6.003 7.908 1.00 0.00 C ATOM 1625 O SER A 106 -5.418 -5.573 8.386 1.00 0.00 O ATOM 1626 CB SER A 106 -3.626 -8.074 9.084 1.00 0.00 C ATOM 1627 OG SER A 106 -4.119 -9.386 9.292 1.00 0.00 O ATOM 0 H SER A 106 -3.124 -6.999 5.987 1.00 0.00 H new ATOM 0 HA SER A 106 -5.069 -7.993 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.536 -8.087 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.939 -7.430 9.906 1.00 0.00 H new ATOM 0 HG SER A 106 -3.536 -10.030 8.838 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.376 -5.215 7.507 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.481 -3.776 7.610 1.00 0.00 C ATOM 1635 C GLY A 107 -2.560 -3.220 8.673 1.00 0.00 C ATOM 1636 O GLY A 107 -2.942 -2.330 9.432 1.00 0.00 O ATOM 0 H GLY A 107 -2.498 -5.552 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.240 -3.324 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.510 -3.502 7.842 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.342 -3.755 8.738 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.371 -3.304 9.733 1.00 0.00 C ATOM 1642 C LYS A 108 0.839 -2.638 9.077 1.00 0.00 C ATOM 1643 O LYS A 108 1.888 -3.260 8.916 1.00 0.00 O ATOM 1644 CB LYS A 108 0.083 -4.483 10.599 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.058 -4.229 12.092 1.00 0.00 C ATOM 1646 CD LYS A 108 1.270 -4.386 12.816 1.00 0.00 C ATOM 1647 CE LYS A 108 1.126 -4.127 14.308 1.00 0.00 C ATOM 1648 NZ LYS A 108 0.978 -5.395 15.078 1.00 0.00 N ATOM 0 H LYS A 108 -1.006 -4.494 8.120 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.861 -2.561 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.499 -5.365 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.125 -4.709 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.445 -3.223 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.786 -4.923 12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.656 -5.393 12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.999 -3.694 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.999 -3.583 14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.258 -3.491 14.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.882 -5.177 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.131 -5.902 14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.817 -5.991 14.930 1.00 0.00 H new ATOM 1662 N VAL A 109 0.685 -1.367 8.701 1.00 0.00 N ATOM 1663 CA VAL A 109 1.758 -0.615 8.071 1.00 0.00 C ATOM 1664 C VAL A 109 3.053 -0.714 8.857 1.00 0.00 C ATOM 1665 O VAL A 109 3.069 -0.605 10.083 1.00 0.00 O ATOM 1666 CB VAL A 109 1.360 0.866 7.912 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.584 1.762 7.908 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.539 1.065 6.647 1.00 0.00 C ATOM 0 H VAL A 109 -0.179 -0.840 8.825 1.00 0.00 H new ATOM 0 HA VAL A 109 1.924 -1.054 7.087 1.00 0.00 H new ATOM 0 HB VAL A 109 0.745 1.146 8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.274 2.801 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.124 1.645 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.235 1.485 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.267 2.116 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.127 0.762 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.366 0.460 6.702 1.00 0.00 H new ATOM 1678 N HIS A 110 4.141 -0.905 8.125 1.00 0.00 N ATOM 1679 CA HIS A 110 5.456 -1.004 8.726 1.00 0.00 C ATOM 1680 C HIS A 110 6.512 -0.559 7.725 1.00 0.00 C ATOM 1681 O HIS A 110 6.454 -0.927 6.552 1.00 0.00 O ATOM 1682 CB HIS A 110 5.731 -2.440 9.183 1.00 0.00 C ATOM 1683 CG HIS A 110 5.730 -2.602 10.672 1.00 0.00 C ATOM 1684 ND1 HIS A 110 6.812 -2.279 11.465 1.00 0.00 N ATOM 1685 CD2 HIS A 110 4.772 -3.056 11.514 1.00 0.00 C ATOM 1686 CE1 HIS A 110 6.519 -2.528 12.728 1.00 0.00 C ATOM 1687 NE2 HIS A 110 5.287 -2.999 12.786 1.00 0.00 N ATOM 0 H HIS A 110 4.135 -0.994 7.109 1.00 0.00 H new ATOM 0 HA HIS A 110 5.494 -0.353 9.600 1.00 0.00 H new ATOM 0 HB2 HIS A 110 4.978 -3.101 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.697 -2.759 8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 110 3.786 -3.399 11.237 1.00 0.00 H new ATOM 0 HE1 HIS A 110 7.176 -2.373 13.571 1.00 0.00 H new ATOM 0 HE2 HIS A 110 4.797 -3.276 13.637 1.00 0.00 H new ATOM 1696 N PRO A 111 7.496 0.239 8.165 1.00 0.00 N ATOM 1697 CA PRO A 111 8.562 0.721 7.286 1.00 0.00 C ATOM 1698 C PRO A 111 9.510 -0.402 6.885 1.00 0.00 C ATOM 1699 O PRO A 111 10.727 -0.219 6.849 1.00 0.00 O ATOM 1700 CB PRO A 111 9.288 1.760 8.143 1.00 0.00 C ATOM 1701 CG PRO A 111 9.021 1.344 9.548 1.00 0.00 C ATOM 1702 CD PRO A 111 7.650 0.727 9.547 1.00 0.00 C ATOM 0 HA PRO A 111 8.178 1.125 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.357 1.772 7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.913 2.765 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.769 0.630 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.063 2.199 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.574 -0.085 10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.881 1.456 9.804 1.00 0.00 H new ATOM 1710 N GLU A 112 8.943 -1.568 6.593 1.00 0.00 N ATOM 1711 CA GLU A 112 9.734 -2.729 6.206 1.00 0.00 C ATOM 1712 C GLU A 112 9.872 -2.824 4.691 1.00 0.00 C ATOM 1713 O GLU A 112 10.864 -3.346 4.182 1.00 0.00 O ATOM 1714 CB GLU A 112 9.097 -4.009 6.753 1.00 0.00 C ATOM 1715 CG GLU A 112 9.743 -4.511 8.033 1.00 0.00 C ATOM 1716 CD GLU A 112 11.011 -5.301 7.775 1.00 0.00 C ATOM 1717 OE1 GLU A 112 11.992 -4.702 7.285 1.00 0.00 O ATOM 1718 OE2 GLU A 112 11.022 -6.516 8.058 1.00 0.00 O ATOM 0 H GLU A 112 7.937 -1.733 6.617 1.00 0.00 H new ATOM 0 HA GLU A 112 10.731 -2.612 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.038 -3.828 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.160 -4.789 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.973 -3.662 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.033 -5.137 8.573 1.00 0.00 H new ATOM 1725 N ILE A 113 8.872 -2.322 3.971 1.00 0.00 N ATOM 1726 CA ILE A 113 8.895 -2.364 2.516 1.00 0.00 C ATOM 1727 C ILE A 113 8.612 -0.987 1.909 1.00 0.00 C ATOM 1728 O ILE A 113 7.532 -0.404 2.099 1.00 0.00 O ATOM 1729 CB ILE A 113 7.895 -3.410 1.973 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.360 -4.820 2.344 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.736 -3.287 0.462 1.00 0.00 C ATOM 1732 CD1 ILE A 113 9.741 -5.156 1.824 1.00 0.00 C ATOM 0 H ILE A 113 8.042 -1.885 4.370 1.00 0.00 H new ATOM 0 HA ILE A 113 9.900 -2.662 2.218 1.00 0.00 H new ATOM 0 HB ILE A 113 6.923 -3.222 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.354 -4.922 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.646 -5.544 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.027 -4.035 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.367 -2.292 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.701 -3.446 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.006 -6.170 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.747 -5.086 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.466 -4.454 2.237 1.00 0.00 H new ATOM 1744 N ILE A 114 9.606 -0.485 1.175 1.00 0.00 N ATOM 1745 CA ILE A 114 9.527 0.813 0.516 1.00 0.00 C ATOM 1746 C ILE A 114 9.759 0.672 -0.987 1.00 0.00 C ATOM 1747 O ILE A 114 9.734 -0.433 -1.529 1.00 0.00 O ATOM 1748 CB ILE A 114 10.569 1.800 1.100 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.982 1.487 0.582 1.00 0.00 C ATOM 1750 CG2 ILE A 114 10.541 1.764 2.619 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.536 0.165 1.071 1.00 0.00 C ATOM 0 H ILE A 114 10.490 -0.971 1.022 1.00 0.00 H new ATOM 0 HA ILE A 114 8.526 1.207 0.693 1.00 0.00 H new ATOM 0 HB ILE A 114 10.304 2.804 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.966 1.482 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.656 2.287 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.279 2.463 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.549 2.046 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.775 0.757 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.536 0.016 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.586 0.172 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.886 -0.646 0.743 1.00 0.00 H new ATOM 1763 N ASN A 115 10.008 1.798 -1.649 1.00 0.00 N ATOM 1764 CA ASN A 115 10.273 1.801 -3.079 1.00 0.00 C ATOM 1765 C ASN A 115 11.772 1.920 -3.330 1.00 0.00 C ATOM 1766 O ASN A 115 12.296 3.020 -3.507 1.00 0.00 O ATOM 1767 CB ASN A 115 9.532 2.958 -3.752 1.00 0.00 C ATOM 1768 CG ASN A 115 9.970 3.179 -5.190 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.554 2.296 -5.815 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.688 4.365 -5.719 1.00 0.00 N ATOM 0 H ASN A 115 10.031 2.721 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 115 9.916 0.864 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.460 2.759 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.699 3.872 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.958 4.572 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.201 5.069 -5.163 1.00 0.00 H new ATOM 1777 N GLU A 116 12.458 0.784 -3.335 1.00 0.00 N ATOM 1778 CA GLU A 116 13.900 0.761 -3.556 1.00 0.00 C ATOM 1779 C GLU A 116 14.272 1.493 -4.841 1.00 0.00 C ATOM 1780 O GLU A 116 15.390 1.985 -4.984 1.00 0.00 O ATOM 1781 CB GLU A 116 14.405 -0.682 -3.604 1.00 0.00 C ATOM 1782 CG GLU A 116 14.750 -1.243 -2.235 1.00 0.00 C ATOM 1783 CD GLU A 116 16.024 -0.649 -1.665 1.00 0.00 C ATOM 1784 OE1 GLU A 116 17.116 -1.139 -2.020 1.00 0.00 O ATOM 1785 OE2 GLU A 116 15.926 0.303 -0.863 1.00 0.00 O ATOM 0 H GLU A 116 12.039 -0.135 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 116 14.378 1.277 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.644 -1.311 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.288 -0.730 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.925 -1.050 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.859 -2.325 -2.307 1.00 0.00 H new ATOM 1792 N ASN A 117 13.325 1.566 -5.773 1.00 0.00 N ATOM 1793 CA ASN A 117 13.558 2.248 -7.041 1.00 0.00 C ATOM 1794 C ASN A 117 13.276 3.747 -6.920 1.00 0.00 C ATOM 1795 O ASN A 117 13.444 4.494 -7.882 1.00 0.00 O ATOM 1796 CB ASN A 117 12.683 1.636 -8.139 1.00 0.00 C ATOM 1797 CG ASN A 117 13.481 1.270 -9.375 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.288 0.339 -9.355 1.00 0.00 O ATOM 1799 ND2 ASN A 117 13.259 2.001 -10.461 1.00 0.00 N ATOM 0 H ASN A 117 12.393 1.163 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 117 14.607 2.119 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.189 0.745 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.899 2.343 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.766 1.801 -11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.581 2.763 -10.433 1.00 0.00 H new ATOM 1806 N GLY A 118 12.847 4.182 -5.734 1.00 0.00 N ATOM 1807 CA GLY A 118 12.555 5.586 -5.525 1.00 0.00 C ATOM 1808 C GLY A 118 13.810 6.418 -5.340 1.00 0.00 C ATOM 1809 O GLY A 118 14.912 5.967 -5.653 1.00 0.00 O ATOM 0 H GLY A 118 12.698 3.586 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.992 5.968 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.918 5.695 -4.647 1.00 0.00 H new ATOM 1813 N ASN A 119 13.642 7.633 -4.829 1.00 0.00 N ATOM 1814 CA ASN A 119 14.769 8.529 -4.601 1.00 0.00 C ATOM 1815 C ASN A 119 15.578 8.091 -3.382 1.00 0.00 C ATOM 1816 O ASN A 119 15.100 7.309 -2.560 1.00 0.00 O ATOM 1817 CB ASN A 119 14.274 9.964 -4.410 1.00 0.00 C ATOM 1818 CG ASN A 119 14.127 10.705 -5.724 1.00 0.00 C ATOM 1819 OD1 ASN A 119 14.766 10.361 -6.719 1.00 0.00 O ATOM 1820 ND2 ASN A 119 13.281 11.728 -5.736 1.00 0.00 N ATOM 0 H ASN A 119 12.736 8.020 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 119 15.417 8.487 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.313 9.948 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 119 14.971 10.503 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.140 12.263 -6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.772 11.979 -4.888 1.00 0.00 H new ATOM 1827 N PRO A 120 16.820 8.593 -3.250 1.00 0.00 N ATOM 1828 CA PRO A 120 17.698 8.254 -2.131 1.00 0.00 C ATOM 1829 C PRO A 120 17.461 9.133 -0.905 1.00 0.00 C ATOM 1830 O PRO A 120 18.384 9.406 -0.138 1.00 0.00 O ATOM 1831 CB PRO A 120 19.083 8.516 -2.712 1.00 0.00 C ATOM 1832 CG PRO A 120 18.879 9.653 -3.657 1.00 0.00 C ATOM 1833 CD PRO A 120 17.469 9.530 -4.187 1.00 0.00 C ATOM 0 HA PRO A 120 17.539 7.236 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.800 8.772 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.471 7.637 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.020 10.608 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.603 9.614 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.962 10.495 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.457 9.147 -5.207 1.00 0.00 H new ATOM 1841 N SER A 121 16.220 9.575 -0.727 1.00 0.00 N ATOM 1842 CA SER A 121 15.860 10.421 0.403 1.00 0.00 C ATOM 1843 C SER A 121 14.350 10.573 0.464 1.00 0.00 C ATOM 1844 O SER A 121 13.830 11.637 0.800 1.00 0.00 O ATOM 1845 CB SER A 121 16.525 11.794 0.278 1.00 0.00 C ATOM 1846 OG SER A 121 17.572 11.939 1.221 1.00 0.00 O ATOM 0 H SER A 121 15.445 9.360 -1.354 1.00 0.00 H new ATOM 0 HA SER A 121 16.212 9.953 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.919 11.921 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.782 12.577 0.431 1.00 0.00 H new ATOM 0 HG SER A 121 18.200 11.192 1.130 1.00 0.00 H new ATOM 1852 N TYR A 122 13.654 9.502 0.116 1.00 0.00 N ATOM 1853 CA TYR A 122 12.202 9.507 0.105 1.00 0.00 C ATOM 1854 C TYR A 122 11.653 8.084 0.133 1.00 0.00 C ATOM 1855 O TYR A 122 10.724 7.781 0.882 1.00 0.00 O ATOM 1856 CB TYR A 122 11.711 10.247 -1.138 1.00 0.00 C ATOM 1857 CG TYR A 122 11.094 11.595 -0.841 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.903 11.699 -0.131 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.705 12.767 -1.270 1.00 0.00 C ATOM 1860 CE1 TYR A 122 9.340 12.932 0.140 1.00 0.00 C ATOM 1861 CE2 TYR A 122 11.147 14.002 -1.003 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.966 14.080 -0.298 1.00 0.00 C ATOM 1863 OH TYR A 122 9.409 15.309 -0.029 1.00 0.00 O ATOM 0 H TYR A 122 14.074 8.616 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 122 11.841 10.019 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.548 10.384 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.977 9.627 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.410 10.802 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.632 12.711 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.414 12.996 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.635 14.903 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 122 9.975 16.014 -0.406 1.00 0.00 H new ATOM 1873 N LYS A 123 12.240 7.217 -0.683 1.00 0.00 N ATOM 1874 CA LYS A 123 11.823 5.819 -0.753 1.00 0.00 C ATOM 1875 C LYS A 123 10.319 5.699 -1.004 1.00 0.00 C ATOM 1876 O LYS A 123 9.878 5.667 -2.153 1.00 0.00 O ATOM 1877 CB LYS A 123 12.210 5.091 0.539 1.00 0.00 C ATOM 1878 CG LYS A 123 13.625 4.534 0.526 1.00 0.00 C ATOM 1879 CD LYS A 123 13.862 3.632 -0.676 1.00 0.00 C ATOM 1880 CE LYS A 123 14.801 4.275 -1.681 1.00 0.00 C ATOM 1881 NZ LYS A 123 16.205 3.809 -1.503 1.00 0.00 N ATOM 0 H LYS A 123 13.009 7.457 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 123 12.338 5.352 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 123 12.108 5.779 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.509 4.274 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.340 5.357 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.804 3.973 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.280 2.682 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.910 3.409 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.466 4.042 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.761 5.359 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.816 4.270 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.533 4.053 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 16.247 2.778 -1.630 1.00 0.00 H new ATOM 1895 N TYR A 124 9.538 5.628 0.071 1.00 0.00 N ATOM 1896 CA TYR A 124 8.086 5.500 -0.025 1.00 0.00 C ATOM 1897 C TYR A 124 7.495 6.398 -1.113 1.00 0.00 C ATOM 1898 O TYR A 124 6.459 6.081 -1.691 1.00 0.00 O ATOM 1899 CB TYR A 124 7.442 5.830 1.320 1.00 0.00 C ATOM 1900 CG TYR A 124 7.991 5.022 2.474 1.00 0.00 C ATOM 1901 CD1 TYR A 124 7.477 3.770 2.781 1.00 0.00 C ATOM 1902 CD2 TYR A 124 9.023 5.518 3.257 1.00 0.00 C ATOM 1903 CE1 TYR A 124 7.978 3.034 3.839 1.00 0.00 C ATOM 1904 CE2 TYR A 124 9.529 4.790 4.314 1.00 0.00 C ATOM 1905 CZ TYR A 124 9.004 3.550 4.601 1.00 0.00 C ATOM 1906 OH TYR A 124 9.506 2.821 5.653 1.00 0.00 O ATOM 0 H TYR A 124 9.891 5.657 1.028 1.00 0.00 H new ATOM 0 HA TYR A 124 7.870 4.467 -0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.585 6.890 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.368 5.661 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.673 3.364 2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.437 6.490 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 124 7.568 2.061 4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 124 10.333 5.191 4.913 1.00 0.00 H new ATOM 0 HH TYR A 124 10.483 2.783 5.588 1.00 0.00 H new ATOM 1916 N PHE A 125 8.152 7.519 -1.393 1.00 0.00 N ATOM 1917 CA PHE A 125 7.665 8.436 -2.414 1.00 0.00 C ATOM 1918 C PHE A 125 7.595 7.745 -3.768 1.00 0.00 C ATOM 1919 O PHE A 125 8.556 7.110 -4.203 1.00 0.00 O ATOM 1920 CB PHE A 125 8.558 9.671 -2.513 1.00 0.00 C ATOM 1921 CG PHE A 125 7.985 10.741 -3.397 1.00 0.00 C ATOM 1922 CD1 PHE A 125 6.682 11.177 -3.218 1.00 0.00 C ATOM 1923 CD2 PHE A 125 8.742 11.302 -4.412 1.00 0.00 C ATOM 1924 CE1 PHE A 125 6.146 12.156 -4.032 1.00 0.00 C ATOM 1925 CE2 PHE A 125 8.211 12.281 -5.231 1.00 0.00 C ATOM 1926 CZ PHE A 125 6.910 12.707 -5.040 1.00 0.00 C ATOM 0 H PHE A 125 9.014 7.811 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 125 6.663 8.752 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.716 10.079 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.535 9.376 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.078 10.746 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 125 9.759 10.971 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.130 12.490 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.811 12.712 -6.018 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.492 13.471 -5.679 1.00 0.00 H new ATOM 1936 N TYR A 126 6.453 7.871 -4.429 1.00 0.00 N ATOM 1937 CA TYR A 126 6.257 7.255 -5.732 1.00 0.00 C ATOM 1938 C TYR A 126 5.965 8.309 -6.795 1.00 0.00 C ATOM 1939 O TYR A 126 5.338 9.331 -6.518 1.00 0.00 O ATOM 1940 CB TYR A 126 5.115 6.237 -5.669 1.00 0.00 C ATOM 1941 CG TYR A 126 5.580 4.810 -5.497 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.695 4.330 -6.171 1.00 0.00 C ATOM 1943 CD2 TYR A 126 4.893 3.942 -4.665 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.113 3.022 -6.016 1.00 0.00 C ATOM 1945 CE2 TYR A 126 5.304 2.633 -4.503 1.00 0.00 C ATOM 1946 CZ TYR A 126 6.413 2.178 -5.181 1.00 0.00 C ATOM 1947 OH TYR A 126 6.825 0.875 -5.026 1.00 0.00 O ATOM 0 H TYR A 126 5.649 8.394 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 126 7.177 6.739 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.455 6.496 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.525 6.310 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.244 4.989 -6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.021 4.294 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.983 2.663 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 126 4.758 1.970 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 126 6.225 0.414 -4.403 1.00 0.00 H new ATOM 1957 N VAL A 127 6.427 8.048 -8.009 1.00 0.00 N ATOM 1958 CA VAL A 127 6.226 8.960 -9.127 1.00 0.00 C ATOM 1959 C VAL A 127 6.458 8.230 -10.444 1.00 0.00 C ATOM 1960 O VAL A 127 7.278 8.648 -11.261 1.00 0.00 O ATOM 1961 CB VAL A 127 7.173 10.175 -9.045 1.00 0.00 C ATOM 1962 CG1 VAL A 127 6.661 11.182 -8.027 1.00 0.00 C ATOM 1963 CG2 VAL A 127 8.590 9.731 -8.705 1.00 0.00 C ATOM 0 H VAL A 127 6.948 7.204 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 127 5.199 9.321 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 127 7.197 10.660 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 127 7.341 12.032 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.670 11.526 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 127 6.605 10.711 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.242 10.603 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.590 9.219 -7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.954 9.053 -9.477 1.00 0.00 H new ATOM 1973 N SER A 128 5.724 7.131 -10.633 1.00 0.00 N ATOM 1974 CA SER A 128 5.835 6.310 -11.841 1.00 0.00 C ATOM 1975 C SER A 128 5.335 4.888 -11.587 1.00 0.00 C ATOM 1976 O SER A 128 5.590 4.301 -10.532 1.00 0.00 O ATOM 1977 CB SER A 128 7.285 6.253 -12.341 1.00 0.00 C ATOM 1978 OG SER A 128 7.480 5.159 -13.221 1.00 0.00 O ATOM 0 H SER A 128 5.041 6.787 -9.958 1.00 0.00 H new ATOM 0 HA SER A 128 5.213 6.777 -12.605 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.533 7.183 -12.852 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.962 6.165 -11.492 1.00 0.00 H new ATOM 0 HG SER A 128 8.411 5.147 -13.526 1.00 0.00 H new ATOM 1984 N ALA A 129 4.633 4.337 -12.570 1.00 0.00 N ATOM 1985 CA ALA A 129 4.105 2.982 -12.470 1.00 0.00 C ATOM 1986 C ALA A 129 5.208 1.955 -12.701 1.00 0.00 C ATOM 1987 O ALA A 129 5.105 0.810 -12.263 1.00 0.00 O ATOM 1988 CB ALA A 129 2.976 2.781 -13.470 1.00 0.00 C ATOM 0 H ALA A 129 4.416 4.809 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 129 3.711 2.840 -11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.591 1.765 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.175 3.491 -13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.352 2.943 -14.480 1.00 0.00 H new ATOM 1994 N GLU A 130 6.267 2.375 -13.392 1.00 0.00 N ATOM 1995 CA GLU A 130 7.390 1.492 -13.682 1.00 0.00 C ATOM 1996 C GLU A 130 7.998 0.942 -12.396 1.00 0.00 C ATOM 1997 O GLU A 130 8.319 -0.245 -12.302 1.00 0.00 O ATOM 1998 CB GLU A 130 8.457 2.237 -14.487 1.00 0.00 C ATOM 1999 CG GLU A 130 9.085 1.393 -15.585 1.00 0.00 C ATOM 2000 CD GLU A 130 10.602 1.411 -15.539 1.00 0.00 C ATOM 2001 OE1 GLU A 130 11.179 0.644 -14.739 1.00 0.00 O ATOM 2002 OE2 GLU A 130 11.211 2.190 -16.302 1.00 0.00 O ATOM 0 H GLU A 130 6.368 3.321 -13.760 1.00 0.00 H new ATOM 0 HA GLU A 130 7.018 0.655 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.010 3.126 -14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.239 2.579 -13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 130 8.735 0.365 -15.493 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.750 1.759 -16.556 1.00 0.00 H new ATOM 2009 N GLN A 131 8.159 1.800 -11.398 1.00 0.00 N ATOM 2010 CA GLN A 131 8.732 1.357 -10.139 1.00 0.00 C ATOM 2011 C GLN A 131 7.710 0.609 -9.298 1.00 0.00 C ATOM 2012 O GLN A 131 7.968 -0.503 -8.840 1.00 0.00 O ATOM 2013 CB GLN A 131 9.296 2.504 -9.322 1.00 0.00 C ATOM 2014 CG GLN A 131 8.400 3.731 -9.254 1.00 0.00 C ATOM 2015 CD GLN A 131 9.119 4.999 -9.672 1.00 0.00 C ATOM 2016 OE1 GLN A 131 9.777 5.038 -10.711 1.00 0.00 O ATOM 2017 NE2 GLN A 131 8.996 6.044 -8.861 1.00 0.00 N ATOM 0 H GLN A 131 7.906 2.787 -11.435 1.00 0.00 H new ATOM 0 HA GLN A 131 9.550 0.687 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.486 2.152 -8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.258 2.795 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.533 3.580 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.026 3.848 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.440 5.966 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.458 6.924 -9.090 1.00 0.00 H new ATOM 2026 N VAL A 132 6.545 1.218 -9.083 1.00 0.00 N ATOM 2027 CA VAL A 132 5.514 0.579 -8.285 1.00 0.00 C ATOM 2028 C VAL A 132 5.196 -0.812 -8.828 1.00 0.00 C ATOM 2029 O VAL A 132 4.694 -1.669 -8.101 1.00 0.00 O ATOM 2030 CB VAL A 132 4.227 1.427 -8.215 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.547 2.881 -7.902 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.423 1.316 -9.497 1.00 0.00 C ATOM 0 H VAL A 132 6.299 2.139 -9.446 1.00 0.00 H new ATOM 0 HA VAL A 132 5.906 0.486 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 132 3.617 1.032 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.622 3.456 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.058 2.942 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 132 5.191 3.288 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.523 1.925 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.024 1.668 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.144 0.275 -9.662 1.00 0.00 H new ATOM 2042 N VAL A 133 5.503 -1.035 -10.107 1.00 0.00 N ATOM 2043 CA VAL A 133 5.257 -2.328 -10.721 1.00 0.00 C ATOM 2044 C VAL A 133 6.392 -3.301 -10.418 1.00 0.00 C ATOM 2045 O VAL A 133 6.162 -4.506 -10.315 1.00 0.00 O ATOM 2046 CB VAL A 133 5.054 -2.231 -12.248 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.343 -1.847 -12.954 1.00 0.00 C ATOM 2048 CG2 VAL A 133 4.519 -3.546 -12.793 1.00 0.00 C ATOM 0 H VAL A 133 5.918 -0.340 -10.728 1.00 0.00 H new ATOM 0 HA VAL A 133 4.330 -2.702 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 133 4.323 -1.446 -12.441 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.166 -1.787 -14.028 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.684 -0.878 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.106 -2.599 -12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.380 -3.464 -13.871 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.229 -4.345 -12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.563 -3.774 -12.321 1.00 0.00 H new ATOM 2058 N GLN A 134 7.620 -2.789 -10.248 1.00 0.00 N ATOM 2059 CA GLN A 134 8.736 -3.679 -9.927 1.00 0.00 C ATOM 2060 C GLN A 134 8.664 -4.045 -8.456 1.00 0.00 C ATOM 2061 O GLN A 134 8.955 -5.174 -8.066 1.00 0.00 O ATOM 2062 CB GLN A 134 10.091 -3.052 -10.262 1.00 0.00 C ATOM 2063 CG GLN A 134 10.174 -1.573 -9.954 1.00 0.00 C ATOM 2064 CD GLN A 134 11.533 -0.984 -10.277 1.00 0.00 C ATOM 2065 OE1 GLN A 134 11.635 0.023 -10.978 1.00 0.00 O ATOM 2066 NE2 GLN A 134 12.587 -1.612 -9.769 1.00 0.00 N ATOM 0 H GLN A 134 7.857 -1.800 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 134 8.649 -4.576 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 134 10.869 -3.574 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.300 -3.205 -11.321 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.409 -1.044 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 134 9.955 -1.413 -8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 134 12.456 -2.444 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.527 -1.263 -9.955 1.00 0.00 H new ATOM 2075 N GLY A 135 8.214 -3.089 -7.652 1.00 0.00 N ATOM 2076 CA GLY A 135 8.042 -3.337 -6.239 1.00 0.00 C ATOM 2077 C GLY A 135 6.820 -4.202 -6.012 1.00 0.00 C ATOM 2078 O GLY A 135 6.685 -4.856 -4.979 1.00 0.00 O ATOM 0 H GLY A 135 7.966 -2.148 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.927 -3.830 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.934 -2.393 -5.706 1.00 0.00 H new ATOM 2082 N MET A 136 5.939 -4.215 -7.015 1.00 0.00 N ATOM 2083 CA MET A 136 4.725 -5.015 -6.975 1.00 0.00 C ATOM 2084 C MET A 136 5.056 -6.455 -7.334 1.00 0.00 C ATOM 2085 O MET A 136 4.676 -7.392 -6.636 1.00 0.00 O ATOM 2086 CB MET A 136 3.708 -4.468 -7.982 1.00 0.00 C ATOM 2087 CG MET A 136 2.581 -3.668 -7.357 1.00 0.00 C ATOM 2088 SD MET A 136 1.482 -2.949 -8.592 1.00 0.00 S ATOM 2089 CE MET A 136 -0.086 -3.660 -8.101 1.00 0.00 C ATOM 0 H MET A 136 6.051 -3.672 -7.871 1.00 0.00 H new ATOM 0 HA MET A 136 4.302 -4.971 -5.972 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.230 -3.838 -8.702 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.281 -5.302 -8.539 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.005 -4.314 -6.694 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.001 -2.873 -6.742 1.00 0.00 H new ATOM 0 HE1 MET A 136 -0.784 -3.614 -8.937 1.00 0.00 H new ATOM 0 HE2 MET A 136 0.062 -4.700 -7.809 1.00 0.00 H new ATOM 0 HE3 MET A 136 -0.491 -3.100 -7.258 1.00 0.00 H new ATOM 2099 N LYS A 137 5.773 -6.601 -8.442 1.00 0.00 N ATOM 2100 CA LYS A 137 6.183 -7.899 -8.955 1.00 0.00 C ATOM 2101 C LYS A 137 7.267 -8.547 -8.090 1.00 0.00 C ATOM 2102 O LYS A 137 7.561 -9.732 -8.236 1.00 0.00 O ATOM 2103 CB LYS A 137 6.661 -7.750 -10.402 1.00 0.00 C ATOM 2104 CG LYS A 137 8.041 -7.132 -10.553 1.00 0.00 C ATOM 2105 CD LYS A 137 8.208 -6.459 -11.912 1.00 0.00 C ATOM 2106 CE LYS A 137 7.725 -7.345 -13.052 1.00 0.00 C ATOM 2107 NZ LYS A 137 8.612 -8.525 -13.253 1.00 0.00 N ATOM 0 H LYS A 137 6.087 -5.816 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 137 5.318 -8.562 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.664 -8.733 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 137 5.942 -7.138 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.201 -6.400 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 137 8.801 -7.904 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.653 -5.521 -11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.258 -6.210 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.711 -7.685 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.683 -6.762 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.249 -9.103 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 9.575 -8.202 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 8.633 -9.096 -12.384 1.00 0.00 H new ATOM 2121 N GLU A 138 7.867 -7.763 -7.198 1.00 0.00 N ATOM 2122 CA GLU A 138 8.922 -8.269 -6.326 1.00 0.00 C ATOM 2123 C GLU A 138 8.369 -8.666 -4.965 1.00 0.00 C ATOM 2124 O GLU A 138 8.266 -9.849 -4.643 1.00 0.00 O ATOM 2125 CB GLU A 138 10.016 -7.214 -6.150 1.00 0.00 C ATOM 2126 CG GLU A 138 11.117 -7.299 -7.193 1.00 0.00 C ATOM 2127 CD GLU A 138 12.435 -7.775 -6.614 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.409 -8.497 -5.594 1.00 0.00 O ATOM 2129 OE2 GLU A 138 13.492 -7.425 -7.176 1.00 0.00 O ATOM 0 H GLU A 138 7.641 -6.778 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 138 9.347 -9.156 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 138 9.564 -6.223 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.457 -7.322 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 138 10.808 -7.978 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.258 -6.319 -7.648 1.00 0.00 H new ATOM 2136 N ALA A 139 8.020 -7.663 -4.169 1.00 0.00 N ATOM 2137 CA ALA A 139 7.480 -7.890 -2.834 1.00 0.00 C ATOM 2138 C ALA A 139 6.352 -8.916 -2.853 1.00 0.00 C ATOM 2139 O ALA A 139 6.079 -9.570 -1.847 1.00 0.00 O ATOM 2140 CB ALA A 139 6.990 -6.580 -2.235 1.00 0.00 C ATOM 0 H ALA A 139 8.102 -6.679 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 139 8.282 -8.289 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.589 -6.763 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 139 7.820 -5.877 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.209 -6.160 -2.869 1.00 0.00 H new ATOM 2146 N GLN A 140 5.691 -9.048 -3.997 1.00 0.00 N ATOM 2147 CA GLN A 140 4.592 -9.985 -4.134 1.00 0.00 C ATOM 2148 C GLN A 140 5.055 -11.433 -3.976 1.00 0.00 C ATOM 2149 O GLN A 140 4.236 -12.334 -3.796 1.00 0.00 O ATOM 2150 CB GLN A 140 3.921 -9.807 -5.489 1.00 0.00 C ATOM 2151 CG GLN A 140 4.854 -10.028 -6.666 1.00 0.00 C ATOM 2152 CD GLN A 140 5.135 -11.496 -6.930 1.00 0.00 C ATOM 2153 OE1 GLN A 140 6.291 -11.915 -7.001 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.077 -12.284 -7.078 1.00 0.00 N ATOM 0 H GLN A 140 5.900 -8.516 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 140 3.879 -9.773 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.085 -10.502 -5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.506 -8.801 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.417 -9.581 -7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 140 5.795 -9.511 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.137 -11.894 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.204 -13.280 -7.258 1.00 0.00 H new ATOM 2163 N GLU A 141 6.363 -11.657 -4.062 1.00 0.00 N ATOM 2164 CA GLU A 141 6.917 -13.003 -3.948 1.00 0.00 C ATOM 2165 C GLU A 141 7.600 -13.213 -2.598 1.00 0.00 C ATOM 2166 O GLU A 141 7.619 -14.326 -2.070 1.00 0.00 O ATOM 2167 CB GLU A 141 7.903 -13.258 -5.097 1.00 0.00 C ATOM 2168 CG GLU A 141 9.091 -14.132 -4.720 1.00 0.00 C ATOM 2169 CD GLU A 141 10.052 -14.341 -5.873 1.00 0.00 C ATOM 2170 OE1 GLU A 141 10.398 -13.346 -6.546 1.00 0.00 O ATOM 2171 OE2 GLU A 141 10.458 -15.499 -6.107 1.00 0.00 O ATOM 0 H GLU A 141 7.058 -10.925 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 141 6.097 -13.718 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.368 -13.728 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 141 8.273 -12.300 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.624 -13.674 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.729 -15.100 -4.374 1.00 0.00 H new ATOM 2178 N ARG A 142 8.175 -12.150 -2.053 1.00 0.00 N ATOM 2179 CA ARG A 142 8.874 -12.236 -0.775 1.00 0.00 C ATOM 2180 C ARG A 142 7.999 -11.757 0.378 1.00 0.00 C ATOM 2181 O ARG A 142 7.932 -12.399 1.427 1.00 0.00 O ATOM 2182 CB ARG A 142 10.169 -11.420 -0.821 1.00 0.00 C ATOM 2183 CG ARG A 142 10.025 -10.087 -1.537 1.00 0.00 C ATOM 2184 CD ARG A 142 11.315 -9.286 -1.486 1.00 0.00 C ATOM 2185 NE ARG A 142 12.413 -9.970 -2.163 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.687 -9.601 -2.065 1.00 0.00 C ATOM 2187 NH1 ARG A 142 14.027 -8.557 -1.319 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.626 -10.277 -2.714 1.00 0.00 N ATOM 0 H ARG A 142 8.172 -11.220 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 142 9.114 -13.285 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.511 -11.240 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.941 -12.008 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.743 -10.259 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.220 -9.512 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.155 -8.312 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.588 -9.104 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 142 12.190 -10.778 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.310 -8.033 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 142 15.006 -8.278 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.371 -11.080 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.603 -9.993 -2.638 1.00 0.00 H new ATOM 2202 N LEU A 143 7.336 -10.625 0.183 1.00 0.00 N ATOM 2203 CA LEU A 143 6.475 -10.059 1.207 1.00 0.00 C ATOM 2204 C LEU A 143 5.295 -10.979 1.519 1.00 0.00 C ATOM 2205 O LEU A 143 4.677 -10.869 2.577 1.00 0.00 O ATOM 2206 CB LEU A 143 5.971 -8.689 0.757 1.00 0.00 C ATOM 2207 CG LEU A 143 5.470 -7.784 1.879 1.00 0.00 C ATOM 2208 CD1 LEU A 143 6.504 -7.682 2.990 1.00 0.00 C ATOM 2209 CD2 LEU A 143 5.132 -6.405 1.334 1.00 0.00 C ATOM 0 H LEU A 143 7.380 -10.081 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 143 7.060 -9.950 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 143 6.777 -8.177 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 143 5.163 -8.834 0.040 1.00 0.00 H new ATOM 0 HG LEU A 143 4.564 -8.223 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 143 6.127 -7.032 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 143 6.699 -8.674 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 143 7.429 -7.267 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 143 4.776 -5.770 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 143 6.023 -5.961 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 143 4.354 -6.494 0.575 1.00 0.00 H new ATOM 2221 N THR A 144 4.985 -11.884 0.595 1.00 0.00 N ATOM 2222 CA THR A 144 3.875 -12.813 0.783 1.00 0.00 C ATOM 2223 C THR A 144 4.361 -14.133 1.379 1.00 0.00 C ATOM 2224 O THR A 144 5.298 -14.748 0.871 1.00 0.00 O ATOM 2225 CB THR A 144 3.164 -13.071 -0.547 1.00 0.00 C ATOM 2226 OG1 THR A 144 1.978 -13.817 -0.344 1.00 0.00 O ATOM 2227 CG2 THR A 144 4.013 -13.826 -1.547 1.00 0.00 C ATOM 0 H THR A 144 5.484 -11.994 -0.288 1.00 0.00 H new ATOM 0 HA THR A 144 3.171 -12.359 1.480 1.00 0.00 H new ATOM 0 HB THR A 144 2.947 -12.083 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.573 -13.561 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 144 3.447 -13.974 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.915 -13.254 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 144 4.290 -14.795 -1.131 1.00 0.00 H new