USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 802 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 52 GLN : amide:sc= 2.37 K(o=3.6,f=-1.4) USER MOD Set 1.2: A 116 THR OG1 : rot -131:sc= 1.18 USER MOD Set 2.1: A 109 GLN : amide:sc= 0.245 K(o=0.56,f=-1.3!) USER MOD Set 2.2: A 110 LYS NZ :NH3+ -161:sc= 0.315 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= 1.85 K(o=3.6,f=1.1) USER MOD Set 3.2: A 107 THR OG1 : rot 79:sc= 1.8 USER MOD Single : A 21 GLN : amide:sc= -0.509 K(o=-0.51,f=-2.1!) USER MOD Single : A 23 ASN : amide:sc= -3.01! C(o=-3!,f=-2.7!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0462 (180deg=-0.388) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -2.8! X(o=-2.8!,f=-3.2) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.36 K(o=-1.4,f=0.42) USER MOD Single : A 39 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.39) USER MOD Single : A 44 ASN : amide:sc= -0.662 K(o=-0.66,f=0.085) USER MOD Single : A 46 ASN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.99) USER MOD Single : A 48 SER OG : rot 180:sc= -0.346 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0.636 (180deg=0.626) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -55:sc= 1.25 USER MOD Single : A 65 MET CE :methyl -120:sc= -0.626 (180deg=-1.1) USER MOD Single : A 70 GLN : amide:sc= -1.14! C(o=-1.1!,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= -0.103 (180deg=-0.188) USER MOD Single : A 89 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.7!) USER MOD Single : A 90 TYR OH : rot -163:sc= 0.0239 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 68:sc= 1.13 USER MOD Single : A 97 SER OG : rot -77:sc= 0.56 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 1.97 (180deg=1.71) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= 0.185 (180deg=-0.061) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.031 (180deg=-0.343) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 117 GLN : amide:sc= -0.0956 K(o=-0.096,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.086 16.971 0.631 1.00 0.00 N ATOM 298 CA LEU A 18 0.038 16.113 0.035 1.00 0.00 C ATOM 299 C LEU A 18 0.603 15.134 -1.018 1.00 0.00 C ATOM 300 O LEU A 18 0.547 13.908 -0.846 1.00 0.00 O ATOM 301 CB LEU A 18 -1.057 16.982 -0.590 1.00 0.00 C ATOM 302 CG LEU A 18 -1.808 17.902 0.376 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.722 18.846 -0.385 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.602 17.090 1.391 1.00 0.00 C ATOM 0 HA LEU A 18 -0.383 15.511 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.607 17.595 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.781 16.328 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.073 18.497 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.247 19.491 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.129 19.458 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.448 18.268 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.127 17.765 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.326 16.463 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.922 16.459 1.964 1.00 0.00 H new ATOM 316 N ILE A 19 1.157 15.680 -2.089 1.00 0.00 N ATOM 317 CA ILE A 19 1.720 14.862 -3.160 1.00 0.00 C ATOM 318 C ILE A 19 2.996 14.141 -2.707 1.00 0.00 C ATOM 319 O ILE A 19 3.299 13.042 -3.180 1.00 0.00 O ATOM 320 CB ILE A 19 1.986 15.711 -4.436 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.658 16.196 -5.016 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.754 14.915 -5.488 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.268 15.065 -5.427 1.00 0.00 C ATOM 0 H ILE A 19 1.230 16.686 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 19 0.981 14.101 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 19 2.599 16.567 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.153 16.819 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.857 16.826 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.922 15.539 -6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.713 14.600 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.176 14.036 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.192 15.480 -5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.218 14.455 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.496 14.448 -4.558 1.00 0.00 H new ATOM 335 N GLU A 20 3.723 14.746 -1.770 1.00 0.00 N ATOM 336 CA GLU A 20 4.944 14.138 -1.251 1.00 0.00 C ATOM 337 C GLU A 20 4.639 12.861 -0.499 1.00 0.00 C ATOM 338 O GLU A 20 5.357 11.875 -0.626 1.00 0.00 O ATOM 339 CB GLU A 20 5.714 15.109 -0.364 1.00 0.00 C ATOM 340 CG GLU A 20 6.447 16.188 -1.141 1.00 0.00 C ATOM 341 CD GLU A 20 7.549 15.617 -2.011 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.261 15.200 -3.142 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.715 15.573 -1.551 1.00 0.00 O ATOM 0 H GLU A 20 3.490 15.649 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 20 5.574 13.890 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.020 15.581 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.434 14.550 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.737 16.730 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.873 16.909 -0.444 1.00 0.00 H new ATOM 350 N GLN A 21 3.565 12.882 0.270 1.00 0.00 N ATOM 351 CA GLN A 21 3.137 11.717 1.012 1.00 0.00 C ATOM 352 C GLN A 21 2.756 10.620 0.026 1.00 0.00 C ATOM 353 O GLN A 21 3.194 9.484 0.142 1.00 0.00 O ATOM 354 CB GLN A 21 1.942 12.075 1.913 1.00 0.00 C ATOM 355 CG GLN A 21 1.794 11.210 3.174 1.00 0.00 C ATOM 356 CD GLN A 21 1.555 9.735 2.887 1.00 0.00 C ATOM 357 OE1 GLN A 21 2.489 8.942 2.809 1.00 0.00 O ATOM 358 NE2 GLN A 21 0.298 9.362 2.726 1.00 0.00 N ATOM 0 H GLN A 21 2.971 13.702 0.395 1.00 0.00 H new ATOM 0 HA GLN A 21 3.947 11.364 1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.035 13.118 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.027 11.994 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.695 11.311 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.965 11.593 3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.451 10.050 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.077 8.386 2.530 1.00 0.00 H new ATOM 367 N ALA A 22 1.942 10.990 -0.968 1.00 0.00 N ATOM 368 CA ALA A 22 1.511 10.054 -2.007 1.00 0.00 C ATOM 369 C ALA A 22 2.691 9.349 -2.690 1.00 0.00 C ATOM 370 O ALA A 22 2.697 8.126 -2.822 1.00 0.00 O ATOM 371 CB ALA A 22 0.653 10.771 -3.040 1.00 0.00 C ATOM 0 H ALA A 22 1.569 11.933 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 22 0.918 9.282 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.339 10.063 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.227 11.192 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.231 11.572 -3.500 1.00 0.00 H new ATOM 377 N ASN A 23 3.695 10.127 -3.107 1.00 0.00 N ATOM 378 CA ASN A 23 4.858 9.529 -3.781 1.00 0.00 C ATOM 379 C ASN A 23 5.721 8.756 -2.788 1.00 0.00 C ATOM 380 O ASN A 23 6.413 7.806 -3.154 1.00 0.00 O ATOM 381 CB ASN A 23 5.704 10.541 -4.594 1.00 0.00 C ATOM 382 CG ASN A 23 6.565 11.481 -3.762 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.627 11.098 -3.260 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.146 12.719 -3.663 1.00 0.00 N ATOM 0 H ASN A 23 3.731 11.140 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 23 4.454 8.833 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.351 9.986 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.033 11.139 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.703 13.407 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.263 12.994 -4.092 1.00 0.00 H new ATOM 391 N HIS A 24 5.650 9.154 -1.531 1.00 0.00 N ATOM 392 CA HIS A 24 6.390 8.496 -0.470 1.00 0.00 C ATOM 393 C HIS A 24 5.792 7.118 -0.199 1.00 0.00 C ATOM 394 O HIS A 24 6.509 6.110 -0.166 1.00 0.00 O ATOM 395 CB HIS A 24 6.340 9.348 0.804 1.00 0.00 C ATOM 396 CG HIS A 24 7.351 9.023 1.853 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.197 9.404 3.162 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.548 8.399 1.781 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.248 9.031 3.857 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.094 8.418 3.044 1.00 0.00 N ATOM 0 H HIS A 24 5.080 9.940 -1.218 1.00 0.00 H new ATOM 0 HA HIS A 24 7.429 8.378 -0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.463 10.394 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.347 9.250 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.993 7.966 0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.397 9.197 4.914 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.998 8.026 3.309 1.00 0.00 H new ATOM 409 N ALA A 25 4.481 7.083 0.010 1.00 0.00 N ATOM 410 CA ALA A 25 3.763 5.846 0.266 1.00 0.00 C ATOM 411 C ALA A 25 3.910 4.848 -0.876 1.00 0.00 C ATOM 412 O ALA A 25 4.185 3.675 -0.638 1.00 0.00 O ATOM 413 CB ALA A 25 2.291 6.137 0.522 1.00 0.00 C ATOM 0 H ALA A 25 3.888 7.913 0.006 1.00 0.00 H new ATOM 0 HA ALA A 25 4.204 5.392 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.763 5.203 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.195 6.791 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.859 6.626 -0.351 1.00 0.00 H new ATOM 419 N ILE A 26 3.735 5.307 -2.117 1.00 0.00 N ATOM 420 CA ILE A 26 3.833 4.402 -3.262 1.00 0.00 C ATOM 421 C ILE A 26 5.250 3.867 -3.440 1.00 0.00 C ATOM 422 O ILE A 26 5.427 2.738 -3.868 1.00 0.00 O ATOM 423 CB ILE A 26 3.325 5.028 -4.586 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.117 6.283 -4.939 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.833 5.334 -4.494 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.711 6.920 -6.254 1.00 0.00 C ATOM 0 H ILE A 26 3.529 6.278 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 26 3.170 3.569 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 26 3.478 4.303 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.994 7.014 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.177 6.031 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.493 5.773 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.283 4.412 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.655 6.036 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.320 7.806 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.861 6.207 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.660 7.205 -6.211 1.00 0.00 H new ATOM 438 N GLU A 27 6.258 4.681 -3.103 1.00 0.00 N ATOM 439 CA GLU A 27 7.650 4.224 -3.169 1.00 0.00 C ATOM 440 C GLU A 27 7.854 3.075 -2.188 1.00 0.00 C ATOM 441 O GLU A 27 8.466 2.049 -2.521 1.00 0.00 O ATOM 442 CB GLU A 27 8.626 5.371 -2.849 1.00 0.00 C ATOM 443 CG GLU A 27 10.102 4.963 -2.783 1.00 0.00 C ATOM 444 CD GLU A 27 10.609 4.315 -4.062 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.311 4.828 -5.155 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.331 3.294 -3.971 1.00 0.00 O ATOM 0 H GLU A 27 6.139 5.643 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 27 7.855 3.881 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.512 6.147 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.343 5.813 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.705 5.845 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.243 4.270 -1.953 1.00 0.00 H new ATOM 453 N LYS A 28 7.324 3.235 -0.981 1.00 0.00 N ATOM 454 CA LYS A 28 7.417 2.188 0.025 1.00 0.00 C ATOM 455 C LYS A 28 6.599 0.970 -0.398 1.00 0.00 C ATOM 456 O LYS A 28 7.079 -0.169 -0.317 1.00 0.00 O ATOM 457 CB LYS A 28 6.953 2.701 1.398 1.00 0.00 C ATOM 458 CG LYS A 28 6.849 1.608 2.463 1.00 0.00 C ATOM 459 CD LYS A 28 6.510 2.177 3.836 1.00 0.00 C ATOM 460 CE LYS A 28 7.712 2.865 4.478 1.00 0.00 C ATOM 461 NZ LYS A 28 8.815 1.910 4.754 1.00 0.00 N ATOM 0 H LYS A 28 6.829 4.074 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 28 8.462 1.892 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.648 3.467 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.980 3.180 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.084 0.888 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.793 1.065 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.691 2.890 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.161 1.375 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.072 3.655 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.403 3.342 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.461 2.320 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.420 1.021 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.338 1.720 3.875 1.00 0.00 H new ATOM 475 N GLY A 29 5.370 1.219 -0.859 1.00 0.00 N ATOM 476 CA GLY A 29 4.492 0.153 -1.304 1.00 0.00 C ATOM 477 C GLY A 29 5.067 -0.633 -2.461 1.00 0.00 C ATOM 478 O GLY A 29 5.026 -1.851 -2.471 1.00 0.00 O ATOM 0 H GLY A 29 4.968 2.153 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.298 -0.523 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.533 0.578 -1.600 1.00 0.00 H new ATOM 482 N GLU A 30 5.617 0.078 -3.426 1.00 0.00 N ATOM 483 CA GLU A 30 6.199 -0.537 -4.606 1.00 0.00 C ATOM 484 C GLU A 30 7.311 -1.492 -4.214 1.00 0.00 C ATOM 485 O GLU A 30 7.370 -2.631 -4.684 1.00 0.00 O ATOM 486 CB GLU A 30 6.737 0.531 -5.556 1.00 0.00 C ATOM 487 CG GLU A 30 7.429 -0.032 -6.784 1.00 0.00 C ATOM 488 CD GLU A 30 8.015 1.043 -7.659 1.00 0.00 C ATOM 489 OE1 GLU A 30 9.011 1.669 -7.250 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.494 1.252 -8.773 1.00 0.00 O ATOM 0 H GLU A 30 5.674 1.096 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 30 5.418 -1.100 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.912 1.168 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.439 1.165 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.221 -0.713 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.715 -0.618 -7.363 1.00 0.00 H new ATOM 497 N HIS A 31 8.173 -1.030 -3.318 1.00 0.00 N ATOM 498 CA HIS A 31 9.306 -1.811 -2.871 1.00 0.00 C ATOM 499 C HIS A 31 8.855 -3.073 -2.120 1.00 0.00 C ATOM 500 O HIS A 31 9.402 -4.154 -2.329 1.00 0.00 O ATOM 501 CB HIS A 31 10.216 -0.951 -1.988 1.00 0.00 C ATOM 502 CG HIS A 31 11.474 -1.636 -1.564 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.750 -1.965 -0.258 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.543 -2.047 -2.287 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.929 -2.548 -0.192 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.430 -2.610 -1.413 1.00 0.00 N ATOM 0 H HIS A 31 8.103 -0.109 -2.886 1.00 0.00 H new ATOM 0 HA HIS A 31 9.866 -2.135 -3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.475 -0.040 -2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.662 -0.648 -1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.671 -1.948 -3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.405 -2.913 0.706 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.333 -3.013 -1.663 1.00 0.00 H new ATOM 515 N GLN A 32 7.859 -2.930 -1.259 1.00 0.00 N ATOM 516 CA GLN A 32 7.361 -4.070 -0.494 1.00 0.00 C ATOM 517 C GLN A 32 6.524 -4.999 -1.373 1.00 0.00 C ATOM 518 O GLN A 32 6.551 -6.213 -1.190 1.00 0.00 O ATOM 519 CB GLN A 32 6.594 -3.611 0.774 1.00 0.00 C ATOM 520 CG GLN A 32 5.351 -2.751 0.532 1.00 0.00 C ATOM 521 CD GLN A 32 4.096 -3.545 0.161 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.244 -3.059 -0.567 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.967 -4.756 0.681 1.00 0.00 N ATOM 0 H GLN A 32 7.382 -2.048 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 32 8.220 -4.645 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.295 -4.497 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.282 -3.050 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.146 -2.169 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.566 -2.040 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.698 -5.132 1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.137 -5.313 0.477 1.00 0.00 H new ATOM 532 N LEU A 33 5.810 -4.442 -2.338 1.00 0.00 N ATOM 533 CA LEU A 33 5.006 -5.247 -3.245 1.00 0.00 C ATOM 534 C LEU A 33 5.902 -6.142 -4.082 1.00 0.00 C ATOM 535 O LEU A 33 5.682 -7.347 -4.158 1.00 0.00 O ATOM 536 CB LEU A 33 4.112 -4.347 -4.136 1.00 0.00 C ATOM 537 CG LEU A 33 3.192 -5.053 -5.167 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.933 -5.323 -6.470 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.621 -6.353 -4.603 1.00 0.00 C ATOM 0 H LEU A 33 5.770 -3.438 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 33 4.344 -5.883 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.483 -3.743 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.761 -3.659 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 33 2.362 -4.379 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.264 -5.818 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.274 -4.380 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.792 -5.964 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.981 -6.823 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.437 -7.028 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.037 -6.136 -3.709 1.00 0.00 H new ATOM 551 N LEU A 34 6.936 -5.558 -4.676 1.00 0.00 N ATOM 552 CA LEU A 34 7.844 -6.336 -5.499 1.00 0.00 C ATOM 553 C LEU A 34 8.598 -7.342 -4.641 1.00 0.00 C ATOM 554 O LEU A 34 8.924 -8.439 -5.095 1.00 0.00 O ATOM 555 CB LEU A 34 8.810 -5.426 -6.306 1.00 0.00 C ATOM 556 CG LEU A 34 9.791 -4.545 -5.509 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.045 -5.319 -5.120 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.162 -3.310 -6.311 1.00 0.00 C ATOM 0 H LEU A 34 7.162 -4.566 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 34 7.255 -6.888 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.394 -6.062 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.208 -4.772 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 34 9.291 -4.236 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.715 -4.668 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.768 -6.173 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.550 -5.670 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.856 -2.697 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.634 -3.612 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.263 -2.734 -6.528 1.00 0.00 H new ATOM 570 N TYR A 35 8.844 -6.977 -3.385 1.00 0.00 N ATOM 571 CA TYR A 35 9.539 -7.850 -2.463 1.00 0.00 C ATOM 572 C TYR A 35 8.706 -9.091 -2.173 1.00 0.00 C ATOM 573 O TYR A 35 9.161 -10.218 -2.380 1.00 0.00 O ATOM 574 CB TYR A 35 9.876 -7.118 -1.157 1.00 0.00 C ATOM 575 CG TYR A 35 10.663 -7.959 -0.169 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.051 -7.977 -0.191 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.014 -8.737 0.781 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.768 -8.748 0.707 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.719 -9.506 1.679 1.00 0.00 C ATOM 580 CZ TYR A 35 12.098 -9.510 1.640 1.00 0.00 C ATOM 581 OH TYR A 35 12.809 -10.280 2.536 1.00 0.00 O ATOM 0 H TYR A 35 8.569 -6.079 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 35 10.474 -8.157 -2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.448 -6.220 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.949 -6.792 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.579 -7.380 -0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.935 -8.739 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.848 -8.753 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.195 -10.103 2.411 1.00 0.00 H new ATOM 0 HH TYR A 35 12.186 -10.755 3.126 1.00 0.00 H new ATOM 591 N LEU A 36 7.465 -8.881 -1.709 1.00 0.00 N ATOM 592 CA LEU A 36 6.586 -9.986 -1.365 1.00 0.00 C ATOM 593 C LEU A 36 6.199 -10.792 -2.598 1.00 0.00 C ATOM 594 O LEU A 36 5.986 -11.991 -2.517 1.00 0.00 O ATOM 595 CB LEU A 36 5.323 -9.513 -0.616 1.00 0.00 C ATOM 596 CG LEU A 36 5.455 -9.298 0.909 1.00 0.00 C ATOM 597 CD1 LEU A 36 6.084 -10.508 1.585 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.233 -8.033 1.226 1.00 0.00 C ATOM 0 H LEU A 36 7.057 -7.957 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 36 7.148 -10.632 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.994 -8.575 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.532 -10.243 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 36 4.448 -9.177 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.163 -10.326 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.462 -11.386 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.078 -10.680 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.307 -7.913 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.234 -8.105 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.718 -7.172 0.799 1.00 0.00 H new ATOM 610 N GLN A 37 6.094 -10.114 -3.737 1.00 0.00 N ATOM 611 CA GLN A 37 5.732 -10.771 -4.988 1.00 0.00 C ATOM 612 C GLN A 37 6.824 -11.768 -5.404 1.00 0.00 C ATOM 613 O GLN A 37 6.531 -12.873 -5.876 1.00 0.00 O ATOM 614 CB GLN A 37 5.484 -9.727 -6.075 1.00 0.00 C ATOM 615 CG GLN A 37 4.666 -10.232 -7.250 1.00 0.00 C ATOM 616 CD GLN A 37 4.152 -9.101 -8.116 1.00 0.00 C ATOM 617 OE1 GLN A 37 4.812 -8.680 -9.072 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.979 -8.594 -7.787 1.00 0.00 N ATOM 0 H GLN A 37 6.254 -9.110 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 37 4.809 -11.333 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.973 -8.872 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.445 -9.368 -6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.277 -10.902 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.823 -10.816 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.466 -8.971 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.585 -7.825 -8.330 1.00 0.00 H new ATOM 627 N HIS A 38 8.086 -11.384 -5.210 1.00 0.00 N ATOM 628 CA HIS A 38 9.197 -12.301 -5.462 1.00 0.00 C ATOM 629 C HIS A 38 9.148 -13.443 -4.456 1.00 0.00 C ATOM 630 O HIS A 38 9.512 -14.590 -4.755 1.00 0.00 O ATOM 631 CB HIS A 38 10.548 -11.581 -5.388 1.00 0.00 C ATOM 632 CG HIS A 38 10.937 -10.908 -6.669 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.684 -11.527 -7.645 1.00 0.00 N ATOM 634 CD2 HIS A 38 10.671 -9.667 -7.138 1.00 0.00 C ATOM 635 CE1 HIS A 38 11.856 -10.701 -8.655 1.00 0.00 C ATOM 636 NE2 HIS A 38 11.252 -9.568 -8.371 1.00 0.00 N ATOM 0 H HIS A 38 8.362 -10.458 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 38 9.094 -12.698 -6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.511 -10.837 -4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.320 -12.301 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.105 -8.898 -6.632 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.400 -10.917 -9.562 1.00 0.00 H new ATOM 0 HE2 HIS A 38 11.222 -8.746 -8.975 1.00 0.00 H new ATOM 645 N GLN A 39 8.654 -13.127 -3.264 1.00 0.00 N ATOM 646 CA GLN A 39 8.503 -14.119 -2.229 1.00 0.00 C ATOM 647 C GLN A 39 7.396 -15.080 -2.594 1.00 0.00 C ATOM 648 O GLN A 39 7.470 -16.255 -2.286 1.00 0.00 O ATOM 649 CB GLN A 39 8.248 -13.480 -0.863 1.00 0.00 C ATOM 650 CG GLN A 39 9.461 -12.757 -0.302 1.00 0.00 C ATOM 651 CD GLN A 39 10.686 -13.657 -0.218 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.817 -13.196 -0.358 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.470 -14.939 0.022 1.00 0.00 N ATOM 0 H GLN A 39 8.354 -12.189 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 39 9.439 -14.672 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.421 -12.775 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.937 -14.253 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.689 -11.895 -0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.226 -12.375 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.516 -15.284 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.257 -15.583 0.097 1.00 0.00 H new ATOM 662 N LEU A 40 6.347 -14.552 -3.234 1.00 0.00 N ATOM 663 CA LEU A 40 5.259 -15.362 -3.771 1.00 0.00 C ATOM 664 C LEU A 40 5.836 -16.438 -4.664 1.00 0.00 C ATOM 665 O LEU A 40 5.464 -17.600 -4.561 1.00 0.00 O ATOM 666 CB LEU A 40 4.277 -14.477 -4.579 1.00 0.00 C ATOM 667 CG LEU A 40 2.872 -15.061 -4.875 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.934 -16.320 -5.733 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.127 -15.322 -3.581 1.00 0.00 C ATOM 0 H LEU A 40 6.233 -13.551 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 40 4.713 -15.822 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.146 -13.539 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.748 -14.233 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 40 2.325 -14.316 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.924 -16.689 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.409 -16.088 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.514 -17.085 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.142 -15.732 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.688 -16.034 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.015 -14.388 -3.031 1.00 0.00 H new ATOM 681 N ASP A 41 6.766 -16.047 -5.529 1.00 0.00 N ATOM 682 CA ASP A 41 7.395 -16.992 -6.449 1.00 0.00 C ATOM 683 C ASP A 41 8.092 -18.104 -5.669 1.00 0.00 C ATOM 684 O ASP A 41 8.000 -19.282 -6.022 1.00 0.00 O ATOM 685 CB ASP A 41 8.393 -16.277 -7.365 1.00 0.00 C ATOM 686 CG ASP A 41 8.929 -17.183 -8.457 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.940 -17.875 -8.222 1.00 0.00 O ATOM 688 OD2 ASP A 41 8.337 -17.204 -9.559 1.00 0.00 O ATOM 0 H ASP A 41 7.101 -15.087 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 41 6.617 -17.434 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.910 -15.412 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.224 -15.901 -6.769 1.00 0.00 H new ATOM 693 N GLU A 42 8.757 -17.721 -4.585 1.00 0.00 N ATOM 694 CA GLU A 42 9.444 -18.679 -3.721 1.00 0.00 C ATOM 695 C GLU A 42 8.416 -19.558 -2.987 1.00 0.00 C ATOM 696 O GLU A 42 8.562 -20.780 -2.894 1.00 0.00 O ATOM 697 CB GLU A 42 10.346 -17.938 -2.728 1.00 0.00 C ATOM 698 CG GLU A 42 11.004 -18.834 -1.696 1.00 0.00 C ATOM 699 CD GLU A 42 12.198 -18.182 -1.042 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.013 -17.276 -0.198 1.00 0.00 O ATOM 701 OE2 GLU A 42 13.336 -18.567 -1.381 1.00 0.00 O ATOM 0 H GLU A 42 8.836 -16.751 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 42 10.072 -19.328 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.122 -17.411 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.755 -17.182 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.274 -19.099 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.317 -19.763 -2.173 1.00 0.00 H new ATOM 708 N LEU A 43 7.397 -18.904 -2.457 1.00 0.00 N ATOM 709 CA LEU A 43 6.292 -19.574 -1.777 1.00 0.00 C ATOM 710 C LEU A 43 5.625 -20.582 -2.693 1.00 0.00 C ATOM 711 O LEU A 43 5.270 -21.664 -2.274 1.00 0.00 O ATOM 712 CB LEU A 43 5.246 -18.572 -1.296 1.00 0.00 C ATOM 713 CG LEU A 43 3.983 -19.188 -0.690 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.297 -19.908 0.604 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.913 -18.135 -0.481 1.00 0.00 C ATOM 0 H LEU A 43 7.309 -17.888 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 43 6.713 -20.089 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.705 -17.920 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.956 -17.942 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 43 3.596 -19.923 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.382 -20.336 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.016 -20.704 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.719 -19.203 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.026 -18.598 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.286 -17.366 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.656 -17.682 -1.439 1.00 0.00 H new ATOM 727 N ASN A 44 5.467 -20.207 -3.939 1.00 0.00 N ATOM 728 CA ASN A 44 4.829 -21.051 -4.943 1.00 0.00 C ATOM 729 C ASN A 44 5.624 -22.348 -5.135 1.00 0.00 C ATOM 730 O ASN A 44 5.077 -23.387 -5.491 1.00 0.00 O ATOM 731 CB ASN A 44 4.722 -20.269 -6.252 1.00 0.00 C ATOM 732 CG ASN A 44 3.516 -20.655 -7.077 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.134 -21.826 -7.143 1.00 0.00 O ATOM 734 ND2 ASN A 44 2.880 -19.661 -7.675 1.00 0.00 N ATOM 0 H ASN A 44 5.777 -19.303 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 44 3.828 -21.327 -4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.676 -19.203 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.625 -20.432 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.037 -19.848 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.233 -18.707 -7.593 1.00 0.00 H new ATOM 741 N GLU A 45 6.916 -22.261 -4.885 1.00 0.00 N ATOM 742 CA GLU A 45 7.805 -23.413 -4.974 1.00 0.00 C ATOM 743 C GLU A 45 7.754 -24.246 -3.684 1.00 0.00 C ATOM 744 O GLU A 45 7.644 -25.467 -3.723 1.00 0.00 O ATOM 745 CB GLU A 45 9.239 -22.939 -5.229 1.00 0.00 C ATOM 746 CG GLU A 45 10.232 -24.062 -5.461 1.00 0.00 C ATOM 747 CD GLU A 45 9.920 -24.858 -6.704 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.067 -24.311 -7.816 1.00 0.00 O ATOM 749 OE2 GLU A 45 9.541 -26.028 -6.582 1.00 0.00 O ATOM 0 H GLU A 45 7.382 -21.395 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 45 7.475 -24.041 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.243 -22.280 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.571 -22.346 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.236 -23.645 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.232 -24.727 -4.597 1.00 0.00 H new ATOM 756 N ASN A 46 7.806 -23.566 -2.554 1.00 0.00 N ATOM 757 CA ASN A 46 7.832 -24.234 -1.244 1.00 0.00 C ATOM 758 C ASN A 46 6.456 -24.775 -0.848 1.00 0.00 C ATOM 759 O ASN A 46 6.355 -25.815 -0.193 1.00 0.00 O ATOM 760 CB ASN A 46 8.347 -23.275 -0.162 1.00 0.00 C ATOM 761 CG ASN A 46 9.851 -23.076 -0.217 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.602 -23.778 0.451 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.300 -22.122 -1.014 1.00 0.00 N ATOM 0 H ASN A 46 7.832 -22.547 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 46 8.511 -25.082 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.853 -22.310 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.072 -23.661 0.820 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.303 -21.950 -1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.644 -21.558 -1.555 1.00 0.00 H new ATOM 770 N LYS A 47 5.407 -24.054 -1.256 1.00 0.00 N ATOM 771 CA LYS A 47 4.007 -24.387 -0.900 1.00 0.00 C ATOM 772 C LYS A 47 3.844 -24.436 0.635 1.00 0.00 C ATOM 773 O LYS A 47 2.898 -25.025 1.152 1.00 0.00 O ATOM 774 CB LYS A 47 3.627 -25.754 -1.488 1.00 0.00 C ATOM 775 CG LYS A 47 3.685 -25.823 -3.010 1.00 0.00 C ATOM 776 CD LYS A 47 2.546 -25.047 -3.678 1.00 0.00 C ATOM 777 CE LYS A 47 2.625 -25.188 -5.188 1.00 0.00 C ATOM 778 NZ LYS A 47 1.449 -24.611 -5.873 1.00 0.00 N ATOM 0 H LYS A 47 5.495 -23.223 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 47 3.354 -23.617 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.294 -26.511 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.618 -26.008 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.640 -25.425 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.643 -26.866 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.586 -25.419 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.603 -23.994 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.529 -24.697 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.711 -26.243 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.241 -25.163 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.628 -24.639 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.650 -23.625 -6.136 1.00 0.00 H new ATOM 792 N SER A 48 4.778 -23.810 1.338 1.00 0.00 N ATOM 793 CA SER A 48 4.798 -23.822 2.795 1.00 0.00 C ATOM 794 C SER A 48 3.639 -23.036 3.384 1.00 0.00 C ATOM 795 O SER A 48 3.435 -21.868 3.054 1.00 0.00 O ATOM 796 CB SER A 48 6.132 -23.289 3.316 1.00 0.00 C ATOM 797 OG SER A 48 6.149 -23.238 4.732 1.00 0.00 O ATOM 0 H SER A 48 5.541 -23.281 0.916 1.00 0.00 H new ATOM 0 HA SER A 48 4.684 -24.857 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.943 -23.926 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.311 -22.292 2.912 1.00 0.00 H new ATOM 0 HG SER A 48 7.015 -22.895 5.037 1.00 0.00 H new ATOM 803 N LYS A 49 2.893 -23.682 4.264 1.00 0.00 N ATOM 804 CA LYS A 49 1.761 -23.054 4.925 1.00 0.00 C ATOM 805 C LYS A 49 2.197 -21.877 5.805 1.00 0.00 C ATOM 806 O LYS A 49 1.583 -20.814 5.773 1.00 0.00 O ATOM 807 CB LYS A 49 0.963 -24.081 5.751 1.00 0.00 C ATOM 808 CG LYS A 49 1.793 -24.904 6.720 1.00 0.00 C ATOM 809 CD LYS A 49 2.238 -26.201 6.082 1.00 0.00 C ATOM 810 CE LYS A 49 2.857 -27.134 7.088 1.00 0.00 C ATOM 811 NZ LYS A 49 2.769 -28.542 6.639 1.00 0.00 N ATOM 0 H LYS A 49 3.053 -24.651 4.539 1.00 0.00 H new ATOM 0 HA LYS A 49 1.111 -22.660 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.192 -23.554 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.452 -24.758 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.665 -24.331 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.210 -25.116 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.383 -26.688 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.958 -25.989 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.902 -26.864 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.353 -27.024 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.142 -29.167 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.776 -28.784 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.328 -28.665 5.770 1.00 0.00 H new ATOM 825 N GLU A 50 3.262 -22.066 6.582 1.00 0.00 N ATOM 826 CA GLU A 50 3.750 -21.007 7.463 1.00 0.00 C ATOM 827 C GLU A 50 4.302 -19.834 6.658 1.00 0.00 C ATOM 828 O GLU A 50 4.123 -18.675 7.040 1.00 0.00 O ATOM 829 CB GLU A 50 4.818 -21.540 8.423 1.00 0.00 C ATOM 830 CG GLU A 50 6.030 -22.134 7.724 1.00 0.00 C ATOM 831 CD GLU A 50 7.037 -22.701 8.685 1.00 0.00 C ATOM 832 OE1 GLU A 50 7.724 -21.914 9.366 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.149 -23.944 8.770 1.00 0.00 O ATOM 0 H GLU A 50 3.798 -22.933 6.620 1.00 0.00 H new ATOM 0 HA GLU A 50 2.904 -20.652 8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.146 -20.729 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.371 -22.300 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.702 -22.919 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.507 -21.364 7.117 1.00 0.00 H new ATOM 840 N LEU A 51 4.953 -20.130 5.542 1.00 0.00 N ATOM 841 CA LEU A 51 5.484 -19.081 4.689 1.00 0.00 C ATOM 842 C LEU A 51 4.328 -18.314 4.069 1.00 0.00 C ATOM 843 O LEU A 51 4.363 -17.092 3.960 1.00 0.00 O ATOM 844 CB LEU A 51 6.391 -19.666 3.601 1.00 0.00 C ATOM 845 CG LEU A 51 7.094 -18.645 2.694 1.00 0.00 C ATOM 846 CD1 LEU A 51 8.016 -17.750 3.505 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.867 -19.353 1.593 1.00 0.00 C ATOM 0 H LEU A 51 5.124 -21.079 5.210 1.00 0.00 H new ATOM 0 HA LEU A 51 6.089 -18.402 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.152 -20.281 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.794 -20.329 2.975 1.00 0.00 H new ATOM 0 HG LEU A 51 6.332 -18.018 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.504 -17.035 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.435 -17.213 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.772 -18.360 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.358 -18.614 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.618 -20.006 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.180 -19.947 0.990 1.00 0.00 H new ATOM 859 N GLN A 52 3.292 -19.055 3.690 1.00 0.00 N ATOM 860 CA GLN A 52 2.082 -18.474 3.132 1.00 0.00 C ATOM 861 C GLN A 52 1.464 -17.505 4.127 1.00 0.00 C ATOM 862 O GLN A 52 1.073 -16.390 3.768 1.00 0.00 O ATOM 863 CB GLN A 52 1.074 -19.580 2.807 1.00 0.00 C ATOM 864 CG GLN A 52 -0.203 -19.088 2.141 1.00 0.00 C ATOM 865 CD GLN A 52 -1.277 -20.154 2.092 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.370 -20.998 2.979 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.080 -20.135 1.051 1.00 0.00 N ATOM 0 H GLN A 52 3.270 -20.072 3.762 1.00 0.00 H new ATOM 0 HA GLN A 52 2.339 -17.938 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.552 -20.311 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.812 -20.099 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.581 -18.220 2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.023 -18.758 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.970 -19.417 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.813 -20.839 0.959 1.00 0.00 H new ATOM 876 N GLU A 53 1.403 -17.930 5.384 1.00 0.00 N ATOM 877 CA GLU A 53 0.822 -17.147 6.433 1.00 0.00 C ATOM 878 C GLU A 53 1.601 -15.852 6.667 1.00 0.00 C ATOM 879 O GLU A 53 1.007 -14.786 6.776 1.00 0.00 O ATOM 880 CB GLU A 53 0.733 -17.982 7.705 1.00 0.00 C ATOM 881 CG GLU A 53 -0.031 -17.304 8.811 1.00 0.00 C ATOM 882 CD GLU A 53 -0.333 -18.226 9.964 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.388 -18.888 9.937 1.00 0.00 O ATOM 884 OE2 GLU A 53 0.475 -18.292 10.907 1.00 0.00 O ATOM 0 H GLU A 53 1.761 -18.834 5.691 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.185 -16.856 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.255 -18.934 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.741 -18.208 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.544 -16.452 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.966 -16.911 8.412 1.00 0.00 H new ATOM 891 N LYS A 54 2.929 -15.940 6.723 1.00 0.00 N ATOM 892 CA LYS A 54 3.765 -14.751 6.918 1.00 0.00 C ATOM 893 C LYS A 54 3.575 -13.773 5.761 1.00 0.00 C ATOM 894 O LYS A 54 3.370 -12.576 5.970 1.00 0.00 O ATOM 895 CB LYS A 54 5.247 -15.145 7.010 1.00 0.00 C ATOM 896 CG LYS A 54 5.592 -16.056 8.181 1.00 0.00 C ATOM 897 CD LYS A 54 5.427 -15.344 9.513 1.00 0.00 C ATOM 898 CE LYS A 54 5.867 -16.229 10.670 1.00 0.00 C ATOM 899 NZ LYS A 54 5.752 -15.532 11.973 1.00 0.00 N ATOM 0 H LYS A 54 3.448 -16.814 6.637 1.00 0.00 H new ATOM 0 HA LYS A 54 3.462 -14.273 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.535 -15.642 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.846 -14.238 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.951 -16.938 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.619 -16.406 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.013 -14.425 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.384 -15.057 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.259 -17.133 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.900 -16.542 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.061 -16.168 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.352 -14.682 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.762 -15.256 12.133 1.00 0.00 H new ATOM 913 N ILE A 55 3.620 -14.303 4.550 1.00 0.00 N ATOM 914 CA ILE A 55 3.487 -13.489 3.349 1.00 0.00 C ATOM 915 C ILE A 55 2.142 -12.756 3.307 1.00 0.00 C ATOM 916 O ILE A 55 2.098 -11.541 3.094 1.00 0.00 O ATOM 917 CB ILE A 55 3.701 -14.324 2.058 1.00 0.00 C ATOM 918 CG1 ILE A 55 5.169 -14.764 1.971 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.297 -13.529 0.815 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.482 -15.635 0.777 1.00 0.00 C ATOM 0 H ILE A 55 3.748 -15.299 4.370 1.00 0.00 H new ATOM 0 HA ILE A 55 4.275 -12.737 3.391 1.00 0.00 H new ATOM 0 HB ILE A 55 3.065 -15.208 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.802 -13.877 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.429 -15.305 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.457 -14.138 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.244 -13.257 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.902 -12.625 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.539 -15.902 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.878 -16.541 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.256 -15.091 -0.140 1.00 0.00 H new ATOM 932 N ILE A 56 1.051 -13.478 3.539 1.00 0.00 N ATOM 933 CA ILE A 56 -0.271 -12.861 3.515 1.00 0.00 C ATOM 934 C ILE A 56 -0.448 -11.892 4.697 1.00 0.00 C ATOM 935 O ILE A 56 -1.131 -10.880 4.580 1.00 0.00 O ATOM 936 CB ILE A 56 -1.422 -13.915 3.489 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.774 -13.230 3.231 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.469 -14.716 4.785 1.00 0.00 C ATOM 939 CD1 ILE A 56 -3.940 -14.194 3.114 1.00 0.00 C ATOM 0 H ILE A 56 1.054 -14.477 3.743 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.336 -12.295 2.586 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.220 -14.609 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.975 -12.529 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.705 -12.646 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.281 -15.441 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.523 -15.239 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.636 -14.041 5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.858 -13.635 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.763 -14.880 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.038 -14.761 4.040 1.00 0.00 H new ATOM 951 N ARG A 57 0.194 -12.201 5.823 1.00 0.00 N ATOM 952 CA ARG A 57 0.107 -11.364 7.021 1.00 0.00 C ATOM 953 C ARG A 57 0.807 -10.031 6.815 1.00 0.00 C ATOM 954 O ARG A 57 0.275 -8.981 7.181 1.00 0.00 O ATOM 955 CB ARG A 57 0.705 -12.090 8.229 1.00 0.00 C ATOM 956 CG ARG A 57 -0.327 -12.625 9.208 1.00 0.00 C ATOM 957 CD ARG A 57 -1.293 -13.588 8.539 1.00 0.00 C ATOM 958 NE ARG A 57 -2.266 -14.126 9.484 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.349 -14.825 9.137 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.607 -15.069 7.856 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.170 -15.279 10.074 1.00 0.00 N ATOM 0 H ARG A 57 0.782 -13.027 5.932 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.948 -11.168 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.317 -12.919 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.370 -11.406 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.180 -13.131 10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.884 -11.793 9.640 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.816 -13.075 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.734 -14.408 8.087 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.108 -13.956 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.976 -14.722 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.436 -15.604 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.973 -15.094 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.998 -15.813 9.811 1.00 0.00 H new ATOM 975 N GLU A 58 1.994 -10.060 6.234 1.00 0.00 N ATOM 976 CA GLU A 58 2.723 -8.832 5.977 1.00 0.00 C ATOM 977 C GLU A 58 2.053 -8.042 4.859 1.00 0.00 C ATOM 978 O GLU A 58 2.040 -6.807 4.877 1.00 0.00 O ATOM 979 CB GLU A 58 4.187 -9.118 5.648 1.00 0.00 C ATOM 980 CG GLU A 58 4.947 -9.772 6.794 1.00 0.00 C ATOM 981 CD GLU A 58 5.200 -8.825 7.950 1.00 0.00 C ATOM 982 OE1 GLU A 58 4.285 -8.618 8.776 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.322 -8.276 8.039 1.00 0.00 O ATOM 0 H GLU A 58 2.469 -10.911 5.934 1.00 0.00 H new ATOM 0 HA GLU A 58 2.704 -8.227 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.235 -9.766 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.681 -8.184 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.383 -10.633 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.901 -10.148 6.423 1.00 0.00 H new ATOM 990 N LEU A 59 1.473 -8.759 3.900 1.00 0.00 N ATOM 991 CA LEU A 59 0.752 -8.140 2.800 1.00 0.00 C ATOM 992 C LEU A 59 -0.447 -7.384 3.365 1.00 0.00 C ATOM 993 O LEU A 59 -0.680 -6.221 3.042 1.00 0.00 O ATOM 994 CB LEU A 59 0.297 -9.245 1.807 1.00 0.00 C ATOM 995 CG LEU A 59 -0.304 -8.800 0.453 1.00 0.00 C ATOM 996 CD1 LEU A 59 -0.294 -9.965 -0.522 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.730 -8.283 0.620 1.00 0.00 C ATOM 0 H LEU A 59 1.491 -9.778 3.866 1.00 0.00 H new ATOM 0 HA LEU A 59 1.391 -7.437 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.157 -9.881 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.443 -9.865 2.313 1.00 0.00 H new ATOM 0 HG LEU A 59 0.309 -7.987 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.718 -9.646 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.731 -10.302 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.888 -10.784 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.123 -7.979 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.357 -9.073 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.730 -7.428 1.296 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.167 -8.063 4.245 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.375 -7.539 4.874 1.00 0.00 C ATOM 1011 C ASP A 60 -2.113 -6.258 5.665 1.00 0.00 C ATOM 1012 O ASP A 60 -2.775 -5.238 5.442 1.00 0.00 O ATOM 1013 CB ASP A 60 -2.968 -8.607 5.799 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.138 -8.106 6.609 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.285 -8.207 6.127 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -3.921 -7.618 7.733 1.00 0.00 O ATOM 0 H ASP A 60 -0.927 -9.007 4.548 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.079 -7.289 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.287 -9.460 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.192 -8.964 6.476 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.144 -6.305 6.580 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.853 -5.158 7.442 1.00 0.00 C ATOM 1023 C VAL A 61 -0.400 -3.933 6.645 1.00 0.00 C ATOM 1024 O VAL A 61 -0.797 -2.802 6.954 1.00 0.00 O ATOM 1025 CB VAL A 61 0.189 -5.492 8.549 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -0.314 -6.616 9.436 1.00 0.00 C ATOM 1027 CG2 VAL A 61 1.544 -5.851 7.952 1.00 0.00 C ATOM 0 H VAL A 61 -0.551 -7.119 6.743 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.796 -4.915 7.932 1.00 0.00 H new ATOM 0 HB VAL A 61 0.320 -4.598 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.429 -6.834 10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.248 -6.315 9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.485 -7.507 8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.246 -6.078 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.437 -6.722 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.919 -5.010 7.369 1.00 0.00 H new ATOM 1037 N VAL A 62 0.406 -4.153 5.616 1.00 0.00 N ATOM 1038 CA VAL A 62 0.887 -3.055 4.791 1.00 0.00 C ATOM 1039 C VAL A 62 -0.229 -2.535 3.891 1.00 0.00 C ATOM 1040 O VAL A 62 -0.363 -1.329 3.689 1.00 0.00 O ATOM 1041 CB VAL A 62 2.105 -3.472 3.933 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.548 -2.325 3.037 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.258 -3.917 4.824 1.00 0.00 C ATOM 0 H VAL A 62 0.739 -5.075 5.334 1.00 0.00 H new ATOM 0 HA VAL A 62 1.207 -2.260 5.464 1.00 0.00 H new ATOM 0 HB VAL A 62 1.806 -4.310 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.406 -2.639 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.730 -2.044 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.827 -1.469 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.106 -4.207 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.550 -3.095 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.943 -4.768 5.429 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.055 -3.442 3.393 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.156 -3.064 2.526 1.00 0.00 C ATOM 1055 C CYS A 63 -3.128 -2.164 3.287 1.00 0.00 C ATOM 1056 O CYS A 63 -3.610 -1.164 2.764 1.00 0.00 O ATOM 1057 CB CYS A 63 -2.886 -4.302 1.988 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.154 -3.956 0.743 1.00 0.00 S ATOM 0 H CYS A 63 -0.983 -4.443 3.575 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.752 -2.517 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.150 -4.981 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.351 -4.824 2.824 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.003 -3.093 1.217 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.380 -2.518 4.542 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.296 -1.779 5.392 1.00 0.00 C ATOM 1066 C ALA A 64 -3.778 -0.382 5.706 1.00 0.00 C ATOM 1067 O ALA A 64 -4.507 0.600 5.539 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.511 -2.547 6.679 1.00 0.00 C ATOM 0 H ALA A 64 -2.953 -3.326 4.996 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.239 -1.667 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.198 -1.996 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.932 -3.526 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.557 -2.672 7.192 1.00 0.00 H new ATOM 1074 N MET A 65 -2.532 -0.285 6.158 1.00 0.00 N ATOM 1075 CA MET A 65 -1.969 1.019 6.505 1.00 0.00 C ATOM 1076 C MET A 65 -1.905 1.922 5.273 1.00 0.00 C ATOM 1077 O MET A 65 -2.193 3.119 5.353 1.00 0.00 O ATOM 1078 CB MET A 65 -0.579 0.881 7.154 1.00 0.00 C ATOM 1079 CG MET A 65 0.528 0.484 6.193 1.00 0.00 C ATOM 1080 SD MET A 65 2.142 0.364 6.983 1.00 0.00 S ATOM 1081 CE MET A 65 1.880 -1.043 8.049 1.00 0.00 C ATOM 0 H MET A 65 -1.902 -1.076 6.292 1.00 0.00 H new ATOM 0 HA MET A 65 -2.629 1.480 7.239 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.314 1.830 7.621 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.636 0.138 7.950 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.280 -0.476 5.740 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.579 1.214 5.386 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.032 -0.746 9.087 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.862 -1.411 7.922 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.586 -1.832 7.790 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.557 1.335 4.131 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.474 2.074 2.882 1.00 0.00 C ATOM 1093 C ILE A 66 -2.844 2.603 2.460 1.00 0.00 C ATOM 1094 O ILE A 66 -2.969 3.759 2.066 1.00 0.00 O ATOM 1095 CB ILE A 66 -0.822 1.217 1.743 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.672 1.549 1.605 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.530 1.406 0.402 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.487 1.306 2.862 1.00 0.00 C ATOM 0 H ILE A 66 -1.328 0.345 4.049 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.824 2.931 3.056 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.932 0.170 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.091 0.953 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.774 2.595 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.043 0.793 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.574 1.106 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.479 2.454 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.529 1.566 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.098 1.922 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.420 0.255 3.142 1.00 0.00 H new ATOM 1110 N GLU A 67 -3.874 1.772 2.588 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.218 2.171 2.198 1.00 0.00 C ATOM 1112 C GLU A 67 -5.779 3.229 3.134 1.00 0.00 C ATOM 1113 O GLU A 67 -6.459 4.159 2.700 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.152 0.969 2.129 1.00 0.00 C ATOM 1115 CG GLU A 67 -5.888 0.057 0.948 1.00 0.00 C ATOM 1116 CD GLU A 67 -6.902 -1.048 0.837 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.063 -0.757 0.492 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -6.548 -2.219 1.095 1.00 0.00 O ATOM 0 H GLU A 67 -3.803 0.824 2.957 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.149 2.607 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.057 0.393 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.182 1.323 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.894 0.645 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.892 -0.376 1.043 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.472 3.093 4.422 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.964 4.039 5.402 1.00 0.00 C ATOM 1127 C GLY A 68 -5.392 5.421 5.188 1.00 0.00 C ATOM 1128 O GLY A 68 -6.121 6.419 5.189 1.00 0.00 O ATOM 0 H GLY A 68 -4.892 2.345 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.052 4.084 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.708 3.691 6.403 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.084 5.472 4.969 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.396 6.730 4.738 1.00 0.00 C ATOM 1134 C ALA A 69 -3.778 7.295 3.381 1.00 0.00 C ATOM 1135 O ALA A 69 -3.924 8.504 3.228 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.890 6.540 4.834 1.00 0.00 C ATOM 0 H ALA A 69 -3.479 4.651 4.947 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.700 7.440 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.391 7.493 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.632 6.173 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.566 5.817 4.085 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.946 6.413 2.401 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.321 6.831 1.058 1.00 0.00 C ATOM 1144 C GLN A 70 -5.695 7.490 1.076 1.00 0.00 C ATOM 1145 O GLN A 70 -5.879 8.578 0.546 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.345 5.651 0.096 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.127 6.042 -1.349 1.00 0.00 C ATOM 1148 CD GLN A 70 -4.572 4.970 -2.310 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -3.809 4.075 -2.657 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -5.808 5.062 -2.760 1.00 0.00 N ATOM 0 H GLN A 70 -3.828 5.406 2.513 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.573 7.545 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.575 4.937 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.304 5.140 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.671 6.963 -1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.070 6.253 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.410 5.823 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.162 4.372 -3.423 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.637 6.826 1.742 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.010 7.310 1.800 1.00 0.00 C ATOM 1161 C GLY A 71 -8.099 8.644 2.506 1.00 0.00 C ATOM 1162 O GLY A 71 -8.853 9.546 2.095 1.00 0.00 O ATOM 0 H GLY A 71 -6.474 5.955 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.406 7.405 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.632 6.581 2.319 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.308 8.769 3.559 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.253 9.983 4.345 1.00 0.00 C ATOM 1168 C ALA A 72 -6.666 11.102 3.503 1.00 0.00 C ATOM 1169 O ALA A 72 -7.257 12.175 3.365 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.419 9.767 5.600 1.00 0.00 C ATOM 0 H ALA A 72 -6.688 8.030 3.890 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.262 10.257 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.388 10.690 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.865 8.975 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.406 9.481 5.319 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.495 10.826 2.937 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.779 11.769 2.097 1.00 0.00 C ATOM 1178 C LEU A 73 -5.638 12.255 0.936 1.00 0.00 C ATOM 1179 O LEU A 73 -5.738 13.450 0.710 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.495 11.127 1.567 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.577 12.039 0.756 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.010 13.146 1.630 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.463 11.233 0.115 1.00 0.00 C ATOM 0 H LEU A 73 -5.016 9.933 3.052 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.527 12.635 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.931 10.737 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.768 10.274 0.946 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.164 12.503 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.359 13.784 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.827 13.742 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.437 12.707 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.817 11.897 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.878 10.740 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.892 10.482 -0.548 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.260 11.319 0.209 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.107 11.662 -0.938 1.00 0.00 C ATOM 1197 C GLU A 74 -8.192 12.668 -0.541 1.00 0.00 C ATOM 1198 O GLU A 74 -8.359 13.713 -1.182 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.719 10.393 -1.562 1.00 0.00 C ATOM 1200 CG GLU A 74 -6.691 9.489 -2.246 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.316 8.276 -2.921 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -7.585 7.269 -2.230 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.536 8.319 -4.150 1.00 0.00 O ATOM 0 H GLU A 74 -6.192 10.318 0.395 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.481 12.137 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.229 9.825 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.475 10.685 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.144 10.069 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.964 9.152 -1.507 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.904 12.359 0.537 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.974 13.221 1.036 1.00 0.00 C ATOM 1212 C ARG A 75 -9.435 14.619 1.366 1.00 0.00 C ATOM 1213 O ARG A 75 -10.063 15.627 1.035 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.593 12.598 2.285 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.843 13.300 2.781 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.347 12.675 4.070 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.552 11.226 3.941 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.353 10.505 4.723 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -14.088 11.100 5.650 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -13.423 9.187 4.563 1.00 0.00 N ATOM 0 H ARG A 75 -8.759 11.512 1.087 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.734 13.318 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.835 11.556 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.850 12.598 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.630 14.356 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.621 13.246 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.632 12.869 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.285 13.149 4.359 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.046 10.739 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.041 12.112 5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.701 10.546 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.864 8.730 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.036 8.633 5.161 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.282 14.665 2.008 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.663 15.930 2.391 1.00 0.00 C ATOM 1236 C GLU A 76 -7.148 16.696 1.184 1.00 0.00 C ATOM 1237 O GLU A 76 -7.504 17.850 0.998 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.537 15.705 3.399 1.00 0.00 C ATOM 1239 CG GLU A 76 -7.028 15.370 4.795 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.868 16.483 5.390 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -7.289 17.467 5.896 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -9.114 16.380 5.353 1.00 0.00 O ATOM 0 H GLU A 76 -7.749 13.838 2.278 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.437 16.536 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.899 14.896 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.918 16.601 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.615 14.452 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.173 15.177 5.442 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.310 16.064 0.370 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.746 16.732 -0.807 1.00 0.00 C ATOM 1251 C LEU A 77 -6.821 17.279 -1.728 1.00 0.00 C ATOM 1252 O LEU A 77 -6.571 18.195 -2.497 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.738 15.825 -1.575 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.226 14.450 -2.077 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.179 14.585 -3.256 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.037 13.587 -2.467 1.00 0.00 C ATOM 0 H LEU A 77 -6.006 15.099 0.498 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.183 17.587 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.378 16.385 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.880 15.656 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.771 13.974 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.500 13.595 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.049 15.168 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.671 15.089 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.391 12.618 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.475 14.079 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.392 13.444 -1.600 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.030 16.758 -1.608 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.120 17.206 -2.441 1.00 0.00 C ATOM 1270 C LYS A 78 -9.534 18.649 -2.128 1.00 0.00 C ATOM 1271 O LYS A 78 -10.266 19.277 -2.899 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.301 16.267 -2.337 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.180 15.050 -3.241 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.804 15.443 -4.666 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.862 14.259 -5.608 1.00 0.00 C ATOM 1276 NZ LYS A 78 -9.084 13.101 -5.101 1.00 0.00 N ATOM 0 H LYS A 78 -8.276 16.026 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.762 17.194 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.403 15.935 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.212 16.810 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.427 14.372 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.125 14.508 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.480 16.222 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.799 15.865 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.901 13.962 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.477 14.554 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.039 12.365 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.120 13.409 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.547 12.716 -4.253 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.072 19.166 -0.990 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.390 20.531 -0.588 1.00 0.00 C ATOM 1292 C ARG A 79 -8.646 21.530 -1.470 1.00 0.00 C ATOM 1293 O ARG A 79 -8.983 22.715 -1.514 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.041 20.756 0.894 1.00 0.00 C ATOM 1295 CG ARG A 79 -7.547 20.828 1.190 1.00 0.00 C ATOM 1296 CD ARG A 79 -7.265 20.650 2.678 1.00 0.00 C ATOM 1297 NE ARG A 79 -7.899 21.686 3.500 1.00 0.00 N ATOM 1298 CZ ARG A 79 -8.539 21.448 4.654 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -8.682 20.204 5.100 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -9.042 22.457 5.352 1.00 0.00 N ATOM 0 H ARG A 79 -8.478 18.660 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.461 20.687 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.509 21.682 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.476 19.949 1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.025 20.056 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.154 21.788 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.621 19.670 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.188 20.668 2.845 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.850 22.651 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.304 19.423 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.170 20.030 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.942 23.413 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.529 22.277 6.230 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.998 22.033 -12.970 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.869 21.159 -12.681 1.00 0.00 C ATOM 1394 C LEU A 85 -1.223 20.209 -11.557 1.00 0.00 C ATOM 1395 O LEU A 85 -1.037 18.999 -11.671 1.00 0.00 O ATOM 1396 CB LEU A 85 0.348 21.987 -12.275 1.00 0.00 C ATOM 1397 CG LEU A 85 1.606 21.189 -11.919 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.141 20.444 -13.134 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.670 22.103 -11.338 1.00 0.00 C ATOM 0 HA LEU A 85 -0.634 20.588 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.591 22.667 -13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.076 22.603 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 85 1.337 20.450 -11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.034 19.885 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.382 19.754 -13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.391 21.159 -13.918 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.556 21.519 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.932 22.868 -12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.287 22.580 -10.436 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.745 20.765 -10.468 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.134 19.965 -9.324 1.00 0.00 C ATOM 1413 C GLU A 86 -3.183 18.951 -9.720 1.00 0.00 C ATOM 1414 O GLU A 86 -3.169 17.824 -9.239 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.630 20.847 -8.180 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.561 21.788 -7.651 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.992 22.540 -6.415 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.802 23.474 -6.533 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -1.499 22.209 -5.315 1.00 0.00 O ATOM 0 H GLU A 86 -1.906 21.766 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.255 19.427 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.484 21.432 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.984 20.213 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.661 21.216 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.297 22.503 -8.430 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.086 19.351 -10.614 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.100 18.446 -11.133 1.00 0.00 C ATOM 1428 C ARG A 87 -4.439 17.222 -11.768 1.00 0.00 C ATOM 1429 O ARG A 87 -4.766 16.079 -11.440 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.963 19.171 -12.175 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.986 18.287 -12.864 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.054 17.809 -11.900 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.971 16.874 -12.541 1.00 0.00 N ATOM 1434 CZ ARG A 87 -10.300 16.911 -12.413 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -10.877 17.850 -11.661 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -11.051 16.010 -13.037 1.00 0.00 N ATOM 0 H ARG A 87 -4.133 20.297 -10.992 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.734 18.118 -10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.483 19.996 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.310 19.607 -12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.453 18.839 -13.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.484 17.427 -13.307 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.583 17.329 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.612 18.665 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.570 16.142 -13.127 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.303 18.543 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.892 17.875 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.613 15.291 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.066 16.037 -12.940 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.497 17.494 -12.663 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.759 16.464 -13.381 1.00 0.00 C ATOM 1452 C PHE A 88 -2.003 15.542 -12.419 1.00 0.00 C ATOM 1453 O PHE A 88 -2.041 14.315 -12.563 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.788 17.132 -14.370 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.845 16.187 -15.058 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.299 15.316 -16.031 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.501 16.178 -14.730 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.428 14.451 -16.666 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.376 15.316 -15.360 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.910 14.451 -16.330 1.00 0.00 C ATOM 0 H PHE A 88 -3.222 18.444 -12.912 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.468 15.845 -13.930 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.368 17.660 -15.127 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.204 17.881 -13.835 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.346 15.312 -16.298 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.870 16.853 -13.972 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.795 13.776 -17.425 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.423 15.318 -15.095 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.592 13.775 -16.825 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.327 16.133 -11.444 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.551 15.368 -10.464 1.00 0.00 C ATOM 1472 C ASN A 89 -1.455 14.494 -9.598 1.00 0.00 C ATOM 1473 O ASN A 89 -1.172 13.316 -9.392 1.00 0.00 O ATOM 1474 CB ASN A 89 0.302 16.295 -9.586 1.00 0.00 C ATOM 1475 CG ASN A 89 1.468 16.921 -10.342 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.396 17.148 -11.543 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.552 17.197 -9.639 1.00 0.00 N ATOM 0 H ASN A 89 -1.297 17.143 -11.306 1.00 0.00 H new ATOM 0 HA ASN A 89 0.119 14.713 -11.021 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.329 17.086 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.687 15.730 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.364 17.613 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.577 16.994 -8.640 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.533 15.080 -9.087 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.516 14.343 -8.279 1.00 0.00 C ATOM 1486 C TYR A 90 -4.037 13.131 -9.028 1.00 0.00 C ATOM 1487 O TYR A 90 -4.015 12.009 -8.516 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.682 15.260 -7.911 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.397 16.211 -6.776 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.103 16.621 -6.481 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.429 16.694 -5.995 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.849 17.486 -5.439 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.189 17.555 -4.956 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.891 17.952 -4.678 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.638 18.814 -3.634 1.00 0.00 O ATOM 0 H TYR A 90 -2.754 16.067 -9.215 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.020 14.001 -7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.964 15.839 -8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.542 14.645 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.281 16.255 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.443 16.388 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.837 17.795 -5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.009 17.923 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.414 18.840 -3.036 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.506 13.373 -10.235 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.014 12.322 -11.100 1.00 0.00 C ATOM 1507 C GLU A 91 -3.956 11.255 -11.349 1.00 0.00 C ATOM 1508 O GLU A 91 -4.261 10.066 -11.398 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.504 12.915 -12.411 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.814 13.664 -12.288 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.425 13.965 -13.629 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -7.841 13.010 -14.323 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.492 15.147 -14.009 1.00 0.00 O ATOM 0 H GLU A 91 -4.547 14.305 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.854 11.841 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.744 13.592 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.621 12.114 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.514 13.074 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.648 14.597 -11.749 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.708 11.686 -11.471 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.608 10.777 -11.730 1.00 0.00 C ATOM 1522 C GLU A 92 -1.334 9.903 -10.512 1.00 0.00 C ATOM 1523 O GLU A 92 -1.082 8.701 -10.635 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.350 11.551 -12.107 1.00 0.00 C ATOM 1525 CG GLU A 92 0.682 10.719 -12.834 1.00 0.00 C ATOM 1526 CD GLU A 92 0.193 10.268 -14.191 1.00 0.00 C ATOM 1527 OE1 GLU A 92 0.043 11.126 -15.087 1.00 0.00 O ATOM 1528 OE2 GLU A 92 -0.037 9.060 -14.372 1.00 0.00 O ATOM 0 H GLU A 92 -2.435 12.666 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.890 10.136 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.629 12.397 -12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.099 11.960 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.597 11.299 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.934 9.846 -12.231 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.394 10.514 -9.326 1.00 0.00 N ATOM 1536 CA ALA A 93 -1.164 9.798 -8.087 1.00 0.00 C ATOM 1537 C ALA A 93 -2.239 8.749 -7.898 1.00 0.00 C ATOM 1538 O ALA A 93 -1.960 7.617 -7.500 1.00 0.00 O ATOM 1539 CB ALA A 93 -1.140 10.763 -6.909 1.00 0.00 C ATOM 0 H ALA A 93 -1.601 11.506 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.194 9.304 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.966 10.208 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.341 11.490 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.096 11.283 -6.845 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.476 9.140 -8.200 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.621 8.247 -8.121 1.00 0.00 C ATOM 1547 C GLN A 94 -4.431 7.078 -9.076 1.00 0.00 C ATOM 1548 O GLN A 94 -4.779 5.939 -8.767 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.901 9.010 -8.467 1.00 0.00 C ATOM 1550 CG GLN A 94 -7.160 8.159 -8.460 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.396 8.964 -8.781 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -9.047 9.500 -7.891 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.720 9.068 -10.052 1.00 0.00 N ATOM 0 H GLN A 94 -3.708 10.085 -8.506 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.706 7.862 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.026 9.827 -7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.786 9.459 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.055 7.353 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.276 7.693 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.152 8.607 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.539 9.610 -10.327 1.00 0.00 H new ATOM 1562 N THR A 95 -3.869 7.375 -10.230 1.00 0.00 N ATOM 1563 CA THR A 95 -3.587 6.369 -11.215 1.00 0.00 C ATOM 1564 C THR A 95 -2.597 5.330 -10.685 1.00 0.00 C ATOM 1565 O THR A 95 -2.871 4.128 -10.729 1.00 0.00 O ATOM 1566 CB THR A 95 -3.050 6.990 -12.520 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.049 7.856 -13.081 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.691 5.905 -13.527 1.00 0.00 C ATOM 0 H THR A 95 -3.598 8.319 -10.504 1.00 0.00 H new ATOM 0 HA THR A 95 -4.530 5.868 -11.434 1.00 0.00 H new ATOM 0 HB THR A 95 -2.150 7.560 -12.291 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.164 8.640 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.314 6.366 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.923 5.256 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.578 5.315 -13.758 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.472 5.785 -10.130 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.446 4.866 -9.672 1.00 0.00 C ATOM 1578 C LEU A 96 -0.876 4.123 -8.413 1.00 0.00 C ATOM 1579 O LEU A 96 -0.577 2.940 -8.254 1.00 0.00 O ATOM 1580 CB LEU A 96 0.877 5.593 -9.423 1.00 0.00 C ATOM 1581 CG LEU A 96 1.475 6.321 -10.633 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.742 7.059 -10.238 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.760 5.340 -11.764 1.00 0.00 C ATOM 0 H LEU A 96 -1.256 6.772 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.299 4.134 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.726 6.319 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.606 4.868 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 96 0.747 7.050 -10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.152 7.570 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.511 7.791 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.474 6.347 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.184 5.877 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.468 4.586 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.832 4.855 -12.068 1.00 0.00 H new ATOM 1595 N SER A 97 -1.575 4.821 -7.520 1.00 0.00 N ATOM 1596 CA SER A 97 -2.033 4.215 -6.280 1.00 0.00 C ATOM 1597 C SER A 97 -2.987 3.062 -6.564 1.00 0.00 C ATOM 1598 O SER A 97 -2.882 1.990 -5.969 1.00 0.00 O ATOM 1599 CB SER A 97 -2.681 5.259 -5.364 1.00 0.00 C ATOM 1600 OG SER A 97 -3.638 6.037 -6.061 1.00 0.00 O ATOM 0 H SER A 97 -1.833 5.801 -7.634 1.00 0.00 H new ATOM 0 HA SER A 97 -1.165 3.812 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.160 4.759 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.911 5.911 -4.951 1.00 0.00 H new ATOM 0 HG SER A 97 -3.178 6.700 -6.618 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.910 3.296 -7.499 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.868 2.295 -7.913 1.00 0.00 C ATOM 1608 C LYS A 98 -4.148 1.068 -8.468 1.00 0.00 C ATOM 1609 O LYS A 98 -4.516 -0.070 -8.166 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.794 2.889 -8.974 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.977 2.009 -9.337 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.795 2.613 -10.475 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.317 4.002 -10.127 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.108 4.591 -11.231 1.00 0.00 N ATOM 0 H LYS A 98 -4.006 4.188 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.458 1.985 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.167 3.849 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.214 3.087 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.621 1.021 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.613 1.874 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.180 2.671 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.635 1.957 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.934 3.943 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.477 4.657 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.444 5.535 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.513 4.672 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.924 3.980 -11.437 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.111 1.308 -9.272 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.322 0.226 -9.839 1.00 0.00 C ATOM 1630 C ILE A 99 -1.648 -0.579 -8.724 1.00 0.00 C ATOM 1631 O ILE A 99 -1.660 -1.817 -8.726 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.240 0.755 -10.818 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.898 1.472 -12.002 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.354 -0.389 -11.310 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.909 2.100 -12.964 1.00 0.00 C ATOM 0 H ILE A 99 -2.802 2.242 -9.542 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.004 -0.415 -10.398 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.612 1.469 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.518 0.760 -12.547 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.563 2.248 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.398 0.002 -11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.139 -0.859 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.967 -1.127 -11.827 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.450 2.588 -13.775 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.305 2.837 -12.435 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.260 1.327 -13.375 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.072 0.152 -7.767 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.389 -0.435 -6.622 1.00 0.00 C ATOM 1649 C LEU A 100 -1.349 -1.328 -5.825 1.00 0.00 C ATOM 1650 O LEU A 100 -1.043 -2.490 -5.546 1.00 0.00 O ATOM 1651 CB LEU A 100 0.184 0.690 -5.728 1.00 0.00 C ATOM 1652 CG LEU A 100 1.405 0.340 -4.844 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.043 -0.653 -3.752 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.553 -0.189 -5.694 1.00 0.00 C ATOM 0 H LEU A 100 -1.069 1.172 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 100 0.433 -1.057 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.462 1.524 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.615 1.043 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 100 1.730 1.259 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.927 -0.873 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.269 -0.226 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.673 -1.573 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.401 -0.429 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.232 -1.087 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.849 0.570 -6.418 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.518 -0.777 -5.484 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.535 -1.511 -4.730 1.00 0.00 C ATOM 1668 C LEU A 101 -3.970 -2.751 -5.489 1.00 0.00 C ATOM 1669 O LEU A 101 -4.157 -3.820 -4.891 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.750 -0.622 -4.448 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.492 0.607 -3.577 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.773 1.402 -3.393 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.921 0.198 -2.230 1.00 0.00 C ATOM 0 H LEU A 101 -2.783 0.179 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.095 -1.814 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.160 -0.288 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.516 -1.230 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.761 1.239 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.574 2.274 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.142 1.727 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.524 0.776 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.744 1.087 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.628 -0.455 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.980 -0.332 -2.379 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.129 -2.615 -6.803 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.466 -3.746 -7.649 1.00 0.00 C ATOM 1687 C LYS A 102 -3.433 -4.845 -7.464 1.00 0.00 C ATOM 1688 O LYS A 102 -3.780 -5.986 -7.185 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.487 -3.326 -9.121 1.00 0.00 C ATOM 1690 CG LYS A 102 -4.722 -4.483 -10.084 1.00 0.00 C ATOM 1691 CD LYS A 102 -4.203 -4.172 -11.485 1.00 0.00 C ATOM 1692 CE LYS A 102 -2.678 -4.039 -11.506 1.00 0.00 C ATOM 1693 NZ LYS A 102 -1.999 -5.244 -10.953 1.00 0.00 N ATOM 0 H LYS A 102 -4.029 -1.730 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.454 -4.109 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.268 -2.580 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.539 -2.847 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.228 -5.377 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.788 -4.704 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.509 -4.962 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.654 -3.247 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.344 -3.874 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.384 -3.162 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.969 -5.137 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.243 -5.349 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.310 -6.088 -11.475 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.160 -4.491 -7.616 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.081 -5.466 -7.503 1.00 0.00 C ATOM 1709 C ASP A 103 -1.041 -6.125 -6.137 1.00 0.00 C ATOM 1710 O ASP A 103 -0.689 -7.305 -6.037 1.00 0.00 O ATOM 1711 CB ASP A 103 0.270 -4.841 -7.834 1.00 0.00 C ATOM 1712 CG ASP A 103 0.886 -5.449 -9.077 1.00 0.00 C ATOM 1713 OD1 ASP A 103 0.519 -5.022 -10.192 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.731 -6.363 -8.951 1.00 0.00 O ATOM 0 H ASP A 103 -1.852 -3.540 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.290 -6.245 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.148 -3.767 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.948 -4.974 -6.991 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.398 -5.395 -5.078 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.427 -5.982 -3.746 1.00 0.00 C ATOM 1721 C LEU A 104 -2.428 -7.123 -3.692 1.00 0.00 C ATOM 1722 O LEU A 104 -2.083 -8.250 -3.337 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.800 -4.925 -2.694 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.861 -3.721 -2.581 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -1.378 -2.740 -1.541 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.548 -4.170 -2.236 1.00 0.00 C ATOM 0 H LEU A 104 -1.666 -4.412 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.431 -6.366 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.802 -4.558 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.849 -5.413 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.832 -3.217 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.699 -1.890 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.369 -2.391 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.437 -3.235 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.199 -3.299 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.538 -4.699 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.920 -4.834 -3.016 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.672 -6.828 -4.068 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.734 -7.827 -4.042 1.00 0.00 C ATOM 1740 C LYS A 105 -4.515 -8.911 -5.096 1.00 0.00 C ATOM 1741 O LYS A 105 -5.032 -10.021 -4.984 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.106 -7.181 -4.194 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.416 -6.170 -3.098 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.898 -5.842 -3.031 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.711 -7.010 -2.479 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.289 -7.391 -1.098 1.00 0.00 N ATOM 0 H LYS A 105 -3.966 -5.907 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.699 -8.310 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.162 -6.686 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.870 -7.959 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.088 -6.565 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.850 -5.256 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.048 -4.965 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.259 -5.586 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.768 -6.744 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.603 -7.870 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.014 -8.001 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.386 -7.905 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.173 -6.533 -0.521 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.745 -8.580 -6.113 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.405 -9.523 -7.162 1.00 0.00 C ATOM 1762 C GLU A 106 -2.433 -10.561 -6.596 1.00 0.00 C ATOM 1763 O GLU A 106 -2.576 -11.766 -6.821 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.773 -8.774 -8.328 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.708 -9.554 -9.619 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.052 -8.760 -10.721 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.683 -7.816 -11.242 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -0.904 -9.072 -11.074 1.00 0.00 O ATOM 0 H GLU A 106 -3.338 -7.653 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.300 -10.031 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.337 -7.857 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.762 -8.478 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.154 -10.478 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.716 -9.836 -9.924 1.00 0.00 H new ATOM 1775 N THR A 107 -1.459 -10.070 -5.843 1.00 0.00 N ATOM 1776 CA THR A 107 -0.507 -10.937 -5.169 1.00 0.00 C ATOM 1777 C THR A 107 -1.246 -11.721 -4.083 1.00 0.00 C ATOM 1778 O THR A 107 -0.988 -12.910 -3.868 1.00 0.00 O ATOM 1779 CB THR A 107 0.653 -10.132 -4.551 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.202 -9.246 -5.542 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.751 -11.063 -4.051 1.00 0.00 C ATOM 0 H THR A 107 -1.308 -9.074 -5.684 1.00 0.00 H new ATOM 0 HA THR A 107 -0.072 -11.620 -5.898 1.00 0.00 H new ATOM 0 HB THR A 107 0.266 -9.560 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.628 -8.457 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.559 -10.473 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.344 -11.731 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.136 -11.651 -4.884 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.169 -11.031 -3.406 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.075 -11.635 -2.432 1.00 0.00 C ATOM 1791 C GLU A 108 -3.771 -12.852 -3.058 1.00 0.00 C ATOM 1792 O GLU A 108 -3.783 -13.941 -2.485 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.118 -10.589 -2.027 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.199 -11.082 -1.089 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.364 -10.113 -1.014 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -7.296 -10.232 -1.832 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.356 -9.220 -0.143 1.00 0.00 O ATOM 0 H GLU A 108 -2.307 -10.027 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.518 -11.964 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.604 -9.752 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.592 -10.204 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.557 -12.055 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.779 -11.224 -0.093 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.342 -12.646 -4.242 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.993 -13.704 -5.000 1.00 0.00 C ATOM 1806 C GLN A 109 -4.060 -14.893 -5.209 1.00 0.00 C ATOM 1807 O GLN A 109 -4.480 -16.046 -5.128 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.451 -13.172 -6.355 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.196 -14.191 -7.199 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.306 -13.773 -8.651 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -5.425 -13.089 -9.188 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.377 -14.177 -9.299 1.00 0.00 N ATOM 0 H GLN A 109 -4.365 -11.736 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.856 -14.041 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.095 -12.307 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.580 -12.823 -6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.684 -15.152 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.196 -14.336 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.081 -14.740 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.504 -13.928 -10.280 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.801 -14.613 -5.475 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.827 -15.667 -5.700 1.00 0.00 C ATOM 1823 C LYS A 110 -1.528 -16.467 -4.429 1.00 0.00 C ATOM 1824 O LYS A 110 -1.563 -17.698 -4.437 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.538 -15.110 -6.305 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.513 -15.119 -7.831 1.00 0.00 C ATOM 1827 CD LYS A 110 -1.622 -14.270 -8.424 1.00 0.00 C ATOM 1828 CE LYS A 110 -1.652 -14.383 -9.935 1.00 0.00 C ATOM 1829 NZ LYS A 110 -2.650 -13.468 -10.541 1.00 0.00 N ATOM 0 H LYS A 110 -2.426 -13.667 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.274 -16.357 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.397 -14.087 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.306 -15.692 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.452 -14.750 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.611 -16.144 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.582 -14.584 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.478 -13.228 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.663 -14.158 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.883 -15.410 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.874 -13.788 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.517 -13.470 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.260 -12.504 -10.577 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.263 -15.761 -3.329 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.931 -16.425 -2.070 1.00 0.00 C ATOM 1845 C VAL A 111 -2.102 -17.280 -1.576 1.00 0.00 C ATOM 1846 O VAL A 111 -1.905 -18.391 -1.091 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.462 -15.412 -0.965 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.550 -14.429 -0.588 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.043 -16.143 0.266 1.00 0.00 C ATOM 0 H VAL A 111 -1.272 -14.742 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.086 -17.084 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 111 0.360 -14.839 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.177 -13.750 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.844 -13.856 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.413 -14.972 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.361 -15.418 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.756 -16.761 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.887 -16.776 -0.008 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.315 -16.760 -1.715 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.515 -17.497 -1.331 1.00 0.00 C ATOM 1861 C LYS A 112 -4.795 -18.660 -2.294 1.00 0.00 C ATOM 1862 O LYS A 112 -5.474 -19.623 -1.931 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.729 -16.553 -1.270 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.113 -15.946 -2.609 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.180 -14.864 -2.468 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.523 -15.434 -2.083 1.00 0.00 C ATOM 1867 NZ LYS A 112 -9.057 -16.360 -3.119 1.00 0.00 N ATOM 0 H LYS A 112 -3.495 -15.829 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.341 -17.917 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.583 -17.103 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.514 -15.748 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.227 -15.521 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.480 -16.731 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.865 -14.141 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.273 -14.323 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.433 -15.965 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.230 -14.620 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.076 -16.501 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.901 -15.952 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.567 -17.275 -3.052 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.273 -18.561 -3.515 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.504 -19.591 -4.534 1.00 0.00 C ATOM 1883 C ASP A 113 -3.593 -20.810 -4.346 1.00 0.00 C ATOM 1884 O ASP A 113 -3.944 -21.920 -4.756 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.335 -19.018 -5.946 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.913 -19.928 -7.014 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -6.154 -19.978 -7.148 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -4.137 -20.587 -7.735 1.00 0.00 O ATOM 0 H ASP A 113 -3.690 -17.784 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.534 -19.926 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.822 -18.044 -6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.276 -18.856 -6.145 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.431 -20.614 -3.717 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.514 -21.733 -3.471 1.00 0.00 C ATOM 1895 C ILE A 114 -2.065 -22.619 -2.358 1.00 0.00 C ATOM 1896 O ILE A 114 -2.344 -22.148 -1.251 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.059 -21.246 -3.107 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.799 -21.076 -4.369 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.634 -22.209 -2.149 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.264 -20.081 -5.364 1.00 0.00 C ATOM 0 H ILE A 114 -2.106 -19.710 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.440 -22.305 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.164 -20.280 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.802 -20.769 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.895 -22.044 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.634 -21.839 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.057 -22.284 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.707 -23.193 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.935 -20.028 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.726 -20.395 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.195 -19.099 -4.896 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.252 -23.895 -2.665 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.752 -24.843 -1.690 1.00 0.00 C ATOM 1914 C GLN A 115 -1.630 -25.287 -0.761 1.00 0.00 C ATOM 1915 O GLN A 115 -0.587 -25.778 -1.209 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.397 -26.051 -2.373 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.483 -26.784 -3.337 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.176 -27.936 -4.032 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -4.388 -27.908 -4.253 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.423 -28.951 -4.385 1.00 0.00 N ATOM 0 H GLN A 115 -2.063 -24.294 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.520 -24.347 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.734 -26.750 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.283 -25.718 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.112 -26.083 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.615 -27.160 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.423 -28.938 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.838 -29.753 -4.860 1.00 0.00 H new ATOM 1929 N THR A 116 -1.832 -25.097 0.513 1.00 0.00 N ATOM 1930 CA THR A 116 -0.850 -25.472 1.493 1.00 0.00 C ATOM 1931 C THR A 116 -1.377 -26.568 2.413 1.00 0.00 C ATOM 1932 O THR A 116 -2.531 -26.995 2.289 1.00 0.00 O ATOM 1933 CB THR A 116 -0.409 -24.252 2.306 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.550 -23.640 2.926 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.278 -23.248 1.397 1.00 0.00 C ATOM 0 H THR A 116 -2.678 -24.680 0.901 1.00 0.00 H new ATOM 0 HA THR A 116 0.016 -25.869 0.964 1.00 0.00 H new ATOM 0 HB THR A 116 0.289 -24.574 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.536 -22.675 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.590 -22.382 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.152 -23.711 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.414 -22.930 0.617 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.542 -27.013 3.330 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.912 -28.075 4.242 1.00 0.00 C ATOM 1945 C GLN A 117 -0.875 -27.586 5.674 1.00 0.00 C ATOM 1946 O GLN A 117 -1.646 -26.663 6.002 1.00 0.00 O ATOM 1947 CB GLN A 117 0.030 -29.261 4.071 1.00 0.00 C ATOM 1948 CG GLN A 117 -0.116 -29.983 2.736 1.00 0.00 C ATOM 1949 CD GLN A 117 -1.495 -30.598 2.544 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -2.153 -30.993 3.511 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -1.936 -30.691 1.304 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.077 -28.134 6.473 1.00 0.00 O ATOM 0 H GLN A 117 0.403 -26.653 3.463 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.929 -28.390 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 117 1.058 -28.913 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.148 -29.972 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.079 -29.281 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.639 -30.767 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.362 -30.353 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.851 -31.101 1.118 1.00 0.00 H new