USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 803 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 70 GLN : amide:sc= -1.77 X(o=-1.6,f=-2.1) USER MOD Set 1.2: A 97 SER OG : rot 140:sc= 0.126 USER MOD Single : A 21 GLN : amide:sc= -0.812 K(o=-0.81,f=-2) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0845 X(o=-0.084,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.287 (180deg=-1.45!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 GLN : amide:sc= -8.24! C(o=-8.2!,f=-11!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.753 K(o=-0.75,f=-2.3) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.25 K(o=-0.25,f=-3.1!) USER MOD Single : A 44 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.28) USER MOD Single : A 46 ASN : amide:sc= -0.846 K(o=-0.85,f=-1.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -8.98! C(o=-9!,f=-15!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 65 MET CE :methyl -133:sc= -0.852 (180deg=-2.77!) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.401 (180deg=-1.15) USER MOD Single : A 83 ASN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.5) USER MOD Single : A 90 TYR OH : rot -162:sc= 0.232 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 58:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= -0.089 (180deg=-0.425) USER MOD Single : A 105 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.19) USER MOD Single : A 107 THR OG1 : rot 65:sc= 0.858 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 78:sc= -0.455 USER MOD Single : A 117 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -14.322 13.946 4.778 1.00 0.00 N ATOM 296 CA LEU A 18 -14.897 12.680 4.338 1.00 0.00 C ATOM 297 C LEU A 18 -14.129 12.117 3.147 1.00 0.00 C ATOM 298 O LEU A 18 -13.355 11.169 3.286 1.00 0.00 O ATOM 299 CB LEU A 18 -16.369 12.868 3.968 1.00 0.00 C ATOM 300 CG LEU A 18 -17.308 13.242 5.115 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.625 13.775 4.575 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.546 12.044 6.023 1.00 0.00 C ATOM 0 HA LEU A 18 -14.823 11.970 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.435 13.643 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.730 11.944 3.516 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.836 14.029 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.280 14.036 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.438 14.661 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.103 13.011 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.217 12.329 6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.996 11.235 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.596 11.708 6.439 1.00 0.00 H new ATOM 314 N ILE A 19 -14.346 12.708 1.977 1.00 0.00 N ATOM 315 CA ILE A 19 -13.671 12.268 0.762 1.00 0.00 C ATOM 316 C ILE A 19 -12.162 12.187 0.970 1.00 0.00 C ATOM 317 O ILE A 19 -11.510 11.259 0.493 1.00 0.00 O ATOM 318 CB ILE A 19 -13.966 13.211 -0.419 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.432 13.093 -0.840 1.00 0.00 C ATOM 320 CG2 ILE A 19 -13.046 12.896 -1.590 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.796 11.733 -1.392 1.00 0.00 C ATOM 0 H ILE A 19 -14.984 13.493 1.845 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.057 11.276 0.528 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.780 14.237 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.067 13.309 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.647 13.851 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.266 13.571 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.008 13.026 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.204 11.866 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.850 11.723 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.187 11.522 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.613 10.972 -0.634 1.00 0.00 H new ATOM 333 N GLU A 20 -11.616 13.166 1.685 1.00 0.00 N ATOM 334 CA GLU A 20 -10.183 13.205 1.956 1.00 0.00 C ATOM 335 C GLU A 20 -9.715 11.900 2.593 1.00 0.00 C ATOM 336 O GLU A 20 -8.781 11.261 2.108 1.00 0.00 O ATOM 337 CB GLU A 20 -9.847 14.382 2.873 1.00 0.00 C ATOM 338 CG GLU A 20 -8.358 14.554 3.121 1.00 0.00 C ATOM 339 CD GLU A 20 -7.840 13.646 4.219 1.00 0.00 C ATOM 340 OE1 GLU A 20 -8.502 13.554 5.273 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.773 13.028 4.023 1.00 0.00 O ATOM 0 H GLU A 20 -12.143 13.942 2.086 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.663 13.333 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.242 15.298 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.352 14.243 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.814 14.349 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.155 15.591 3.387 1.00 0.00 H new ATOM 348 N GLN A 21 -10.371 11.510 3.681 1.00 0.00 N ATOM 349 CA GLN A 21 -10.020 10.282 4.386 1.00 0.00 C ATOM 350 C GLN A 21 -10.221 9.064 3.489 1.00 0.00 C ATOM 351 O GLN A 21 -9.425 8.125 3.514 1.00 0.00 O ATOM 352 CB GLN A 21 -10.862 10.140 5.655 1.00 0.00 C ATOM 353 CG GLN A 21 -10.371 9.047 6.591 1.00 0.00 C ATOM 354 CD GLN A 21 -11.425 8.619 7.593 1.00 0.00 C ATOM 355 OE1 GLN A 21 -12.452 9.280 7.751 1.00 0.00 O ATOM 356 NE2 GLN A 21 -11.176 7.508 8.276 1.00 0.00 N ATOM 0 H GLN A 21 -11.148 12.026 4.094 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.967 10.338 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.863 11.090 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.894 9.930 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.062 8.183 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.489 9.401 7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.312 6.992 8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.849 7.171 8.964 1.00 0.00 H new ATOM 365 N ALA A 22 -11.288 9.087 2.698 1.00 0.00 N ATOM 366 CA ALA A 22 -11.592 7.987 1.792 1.00 0.00 C ATOM 367 C ALA A 22 -10.489 7.811 0.753 1.00 0.00 C ATOM 368 O ALA A 22 -10.048 6.694 0.486 1.00 0.00 O ATOM 369 CB ALA A 22 -12.932 8.218 1.110 1.00 0.00 C ATOM 0 H ALA A 22 -11.957 9.856 2.666 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.651 7.071 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.145 7.388 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.717 8.285 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.895 9.147 0.541 1.00 0.00 H new ATOM 375 N ASN A 23 -10.052 8.921 0.169 1.00 0.00 N ATOM 376 CA ASN A 23 -9.002 8.889 -0.843 1.00 0.00 C ATOM 377 C ASN A 23 -7.688 8.392 -0.248 1.00 0.00 C ATOM 378 O ASN A 23 -6.972 7.605 -0.868 1.00 0.00 O ATOM 379 CB ASN A 23 -8.806 10.280 -1.449 1.00 0.00 C ATOM 380 CG ASN A 23 -9.206 10.335 -2.911 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.430 9.969 -3.793 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.424 10.796 -3.174 1.00 0.00 N ATOM 0 H ASN A 23 -10.408 9.854 0.379 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.310 8.198 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.395 11.005 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.761 10.573 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.749 10.857 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.034 11.089 -2.411 1.00 0.00 H new ATOM 389 N HIS A 24 -7.377 8.857 0.958 1.00 0.00 N ATOM 390 CA HIS A 24 -6.149 8.459 1.638 1.00 0.00 C ATOM 391 C HIS A 24 -6.168 6.968 1.964 1.00 0.00 C ATOM 392 O HIS A 24 -5.149 6.286 1.855 1.00 0.00 O ATOM 393 CB HIS A 24 -5.966 9.270 2.920 1.00 0.00 C ATOM 394 CG HIS A 24 -4.531 9.476 3.299 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.040 9.216 4.560 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.479 9.920 2.572 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.749 9.491 4.594 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.383 9.919 3.399 1.00 0.00 N ATOM 0 H HIS A 24 -7.958 9.509 1.484 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.311 8.657 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.444 10.242 2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.480 8.764 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.498 10.219 1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.102 9.384 5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.440 10.203 3.134 1.00 0.00 H new ATOM 406 N ALA A 25 -7.332 6.469 2.366 1.00 0.00 N ATOM 407 CA ALA A 25 -7.483 5.060 2.706 1.00 0.00 C ATOM 408 C ALA A 25 -7.296 4.175 1.478 1.00 0.00 C ATOM 409 O ALA A 25 -6.517 3.222 1.502 1.00 0.00 O ATOM 410 CB ALA A 25 -8.848 4.812 3.334 1.00 0.00 C ATOM 0 H ALA A 25 -8.185 7.020 2.464 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.709 4.802 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.947 3.755 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.945 5.409 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.630 5.094 2.628 1.00 0.00 H new ATOM 416 N ILE A 26 -8.014 4.497 0.407 1.00 0.00 N ATOM 417 CA ILE A 26 -7.925 3.731 -0.830 1.00 0.00 C ATOM 418 C ILE A 26 -6.529 3.827 -1.436 1.00 0.00 C ATOM 419 O ILE A 26 -6.047 2.881 -2.059 1.00 0.00 O ATOM 420 CB ILE A 26 -8.956 4.214 -1.866 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.691 5.674 -2.239 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.369 4.049 -1.325 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.668 6.225 -3.255 1.00 0.00 C ATOM 0 H ILE A 26 -8.663 5.283 0.371 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.137 2.693 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.858 3.605 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.734 6.285 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.679 5.762 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.086 4.395 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.554 2.998 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.480 4.636 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.420 7.264 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.609 5.639 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.680 6.170 -2.854 1.00 0.00 H new ATOM 435 N GLU A 27 -5.885 4.974 -1.248 1.00 0.00 N ATOM 436 CA GLU A 27 -4.543 5.191 -1.776 1.00 0.00 C ATOM 437 C GLU A 27 -3.531 4.288 -1.079 1.00 0.00 C ATOM 438 O GLU A 27 -2.766 3.573 -1.728 1.00 0.00 O ATOM 439 CB GLU A 27 -4.136 6.656 -1.608 1.00 0.00 C ATOM 440 CG GLU A 27 -4.708 7.573 -2.677 1.00 0.00 C ATOM 441 CD GLU A 27 -3.929 7.510 -3.977 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.714 7.792 -3.956 1.00 0.00 O ATOM 443 OE2 GLU A 27 -4.537 7.175 -5.016 1.00 0.00 O ATOM 0 H GLU A 27 -6.270 5.767 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.554 4.943 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.463 7.005 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.048 6.726 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.746 7.301 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.710 8.599 -2.308 1.00 0.00 H new ATOM 450 N LYS A 28 -3.530 4.325 0.250 1.00 0.00 N ATOM 451 CA LYS A 28 -2.613 3.510 1.039 1.00 0.00 C ATOM 452 C LYS A 28 -2.830 2.025 0.762 1.00 0.00 C ATOM 453 O LYS A 28 -1.878 1.284 0.518 1.00 0.00 O ATOM 454 CB LYS A 28 -2.800 3.795 2.530 1.00 0.00 C ATOM 455 CG LYS A 28 -2.141 2.766 3.433 1.00 0.00 C ATOM 456 CD LYS A 28 -0.660 2.621 3.123 1.00 0.00 C ATOM 457 CE LYS A 28 0.085 3.930 3.338 1.00 0.00 C ATOM 458 NZ LYS A 28 0.457 4.574 2.048 1.00 0.00 N ATOM 0 H LYS A 28 -4.155 4.911 0.803 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.594 3.770 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.392 4.780 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.866 3.832 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.269 3.060 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.636 1.802 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.228 1.847 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.533 2.294 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.538 4.611 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.985 3.744 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.323 5.135 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.623 3.841 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.315 5.197 1.735 1.00 0.00 H new ATOM 472 N GLY A 29 -4.088 1.598 0.800 1.00 0.00 N ATOM 473 CA GLY A 29 -4.407 0.204 0.551 1.00 0.00 C ATOM 474 C GLY A 29 -4.079 -0.220 -0.867 1.00 0.00 C ATOM 475 O GLY A 29 -3.679 -1.359 -1.103 1.00 0.00 O ATOM 0 H GLY A 29 -4.893 2.193 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.855 -0.423 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.467 0.037 0.741 1.00 0.00 H new ATOM 479 N GLU A 30 -4.253 0.698 -1.812 1.00 0.00 N ATOM 480 CA GLU A 30 -3.974 0.411 -3.215 1.00 0.00 C ATOM 481 C GLU A 30 -2.477 0.236 -3.448 1.00 0.00 C ATOM 482 O GLU A 30 -2.053 -0.621 -4.224 1.00 0.00 O ATOM 483 CB GLU A 30 -4.514 1.533 -4.105 1.00 0.00 C ATOM 484 CG GLU A 30 -4.240 1.321 -5.584 1.00 0.00 C ATOM 485 CD GLU A 30 -4.848 2.407 -6.452 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.252 3.451 -5.899 1.00 0.00 O ATOM 487 OE2 GLU A 30 -4.918 2.212 -7.683 1.00 0.00 O ATOM 0 H GLU A 30 -4.585 1.646 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.475 -0.522 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.590 1.621 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.070 2.478 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.163 1.289 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.638 0.353 -5.888 1.00 0.00 H new ATOM 494 N HIS A 31 -1.679 1.057 -2.772 1.00 0.00 N ATOM 495 CA HIS A 31 -0.228 0.994 -2.905 1.00 0.00 C ATOM 496 C HIS A 31 0.321 -0.284 -2.277 1.00 0.00 C ATOM 497 O HIS A 31 1.046 -1.041 -2.921 1.00 0.00 O ATOM 498 CB HIS A 31 0.419 2.215 -2.252 1.00 0.00 C ATOM 499 CG HIS A 31 1.775 2.540 -2.799 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.941 2.322 -2.096 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.146 3.067 -3.988 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.972 2.703 -2.829 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.516 3.159 -3.982 1.00 0.00 N ATOM 0 H HIS A 31 -2.013 1.773 -2.127 1.00 0.00 H new ATOM 0 HA HIS A 31 0.014 0.989 -3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.234 3.077 -2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.501 2.042 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.488 3.361 -4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.010 2.651 -2.536 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.089 3.521 -4.744 1.00 0.00 H new ATOM 511 N GLN A 32 -0.030 -0.515 -1.016 1.00 0.00 N ATOM 512 CA GLN A 32 0.428 -1.701 -0.301 1.00 0.00 C ATOM 513 C GLN A 32 -0.052 -2.973 -0.991 1.00 0.00 C ATOM 514 O GLN A 32 0.657 -3.979 -1.024 1.00 0.00 O ATOM 515 CB GLN A 32 -0.067 -1.673 1.146 1.00 0.00 C ATOM 516 CG GLN A 32 -1.575 -1.815 1.276 1.00 0.00 C ATOM 517 CD GLN A 32 -2.028 -3.260 1.276 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.921 -3.644 0.519 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.412 -4.074 2.126 1.00 0.00 N ATOM 0 H GLN A 32 -0.629 0.103 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 32 1.518 -1.698 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.415 -2.478 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.243 -0.736 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.903 -1.336 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.058 -1.287 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.677 -3.714 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.674 -5.059 2.169 1.00 0.00 H new ATOM 528 N LEU A 33 -1.260 -2.921 -1.541 1.00 0.00 N ATOM 529 CA LEU A 33 -1.837 -4.070 -2.231 1.00 0.00 C ATOM 530 C LEU A 33 -1.086 -4.361 -3.527 1.00 0.00 C ATOM 531 O LEU A 33 -0.715 -5.502 -3.800 1.00 0.00 O ATOM 532 CB LEU A 33 -3.315 -3.821 -2.530 1.00 0.00 C ATOM 533 CG LEU A 33 -4.052 -4.947 -3.257 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.849 -4.835 -4.760 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.583 -6.303 -2.753 1.00 0.00 C ATOM 0 H LEU A 33 -1.859 -2.096 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.746 -4.938 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.828 -3.627 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.396 -2.914 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.118 -4.853 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.381 -5.644 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.235 -3.877 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.786 -4.903 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.118 -7.092 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.513 -6.407 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.782 -6.383 -1.684 1.00 0.00 H new ATOM 547 N LEU A 34 -0.862 -3.318 -4.320 1.00 0.00 N ATOM 548 CA LEU A 34 -0.152 -3.460 -5.587 1.00 0.00 C ATOM 549 C LEU A 34 1.236 -4.054 -5.370 1.00 0.00 C ATOM 550 O LEU A 34 1.663 -4.946 -6.104 1.00 0.00 O ATOM 551 CB LEU A 34 -0.036 -2.103 -6.284 1.00 0.00 C ATOM 552 CG LEU A 34 -1.281 -1.625 -7.032 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.088 -0.202 -7.532 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.600 -2.560 -8.190 1.00 0.00 C ATOM 0 H LEU A 34 -1.161 -2.366 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.722 -4.139 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.224 -1.354 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.793 -2.149 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.124 -1.635 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.984 0.122 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.908 0.460 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.234 -0.167 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.489 -2.204 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.758 -2.582 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.781 -3.564 -7.807 1.00 0.00 H new ATOM 566 N TYR A 35 1.936 -3.555 -4.357 1.00 0.00 N ATOM 567 CA TYR A 35 3.275 -4.036 -4.043 1.00 0.00 C ATOM 568 C TYR A 35 3.222 -5.416 -3.396 1.00 0.00 C ATOM 569 O TYR A 35 4.120 -6.238 -3.582 1.00 0.00 O ATOM 570 CB TYR A 35 3.988 -3.052 -3.114 1.00 0.00 C ATOM 571 CG TYR A 35 5.335 -3.541 -2.632 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.490 -3.285 -3.361 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.454 -4.260 -1.449 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.723 -3.730 -2.926 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.683 -4.709 -1.006 1.00 0.00 C ATOM 576 CZ TYR A 35 7.814 -4.441 -1.747 1.00 0.00 C ATOM 577 OH TYR A 35 9.041 -4.887 -1.309 1.00 0.00 O ATOM 0 H TYR A 35 1.597 -2.817 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 35 3.833 -4.114 -4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.120 -2.104 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.352 -2.855 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.422 -2.728 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.570 -4.472 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.611 -3.523 -3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.757 -5.267 -0.084 1.00 0.00 H new ATOM 0 HH TYR A 35 8.931 -5.369 -0.463 1.00 0.00 H new ATOM 587 N LEU A 36 2.161 -5.665 -2.636 1.00 0.00 N ATOM 588 CA LEU A 36 1.987 -6.947 -1.961 1.00 0.00 C ATOM 589 C LEU A 36 1.710 -8.059 -2.967 1.00 0.00 C ATOM 590 O LEU A 36 2.066 -9.215 -2.740 1.00 0.00 O ATOM 591 CB LEU A 36 0.843 -6.861 -0.950 1.00 0.00 C ATOM 592 CG LEU A 36 0.532 -8.144 -0.177 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.088 -7.820 1.241 1.00 0.00 C ATOM 594 CD2 LEU A 36 -0.534 -8.956 -0.899 1.00 0.00 C ATOM 0 H LEU A 36 1.408 -4.996 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 36 2.912 -7.182 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.078 -6.076 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.059 -6.551 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 36 1.442 -8.742 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.129 -8.745 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.883 -7.281 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.809 -7.201 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.743 -9.865 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.446 -8.365 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.178 -9.220 -1.895 1.00 0.00 H new ATOM 606 N GLN A 37 1.076 -7.700 -4.078 1.00 0.00 N ATOM 607 CA GLN A 37 0.754 -8.669 -5.119 1.00 0.00 C ATOM 608 C GLN A 37 1.988 -9.469 -5.519 1.00 0.00 C ATOM 609 O GLN A 37 1.903 -10.669 -5.788 1.00 0.00 O ATOM 610 CB GLN A 37 0.173 -7.958 -6.344 1.00 0.00 C ATOM 611 CG GLN A 37 -1.340 -8.061 -6.446 1.00 0.00 C ATOM 612 CD GLN A 37 -1.954 -6.894 -7.195 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.248 -6.096 -7.812 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.276 -6.789 -7.145 1.00 0.00 N ATOM 0 H GLN A 37 0.775 -6.747 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 37 0.010 -9.359 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.456 -6.906 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.619 -8.380 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.604 -8.991 -6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.766 -8.109 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.822 -7.473 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.746 -6.024 -7.630 1.00 0.00 H new ATOM 623 N HIS A 38 3.136 -8.800 -5.556 1.00 0.00 N ATOM 624 CA HIS A 38 4.389 -9.450 -5.923 1.00 0.00 C ATOM 625 C HIS A 38 4.747 -10.544 -4.922 1.00 0.00 C ATOM 626 O HIS A 38 4.991 -11.689 -5.301 1.00 0.00 O ATOM 627 CB HIS A 38 5.518 -8.423 -5.999 1.00 0.00 C ATOM 628 CG HIS A 38 6.549 -8.741 -7.038 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.386 -8.445 -8.374 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.762 -9.331 -6.930 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.454 -8.841 -9.043 1.00 0.00 C ATOM 632 NE2 HIS A 38 8.305 -9.381 -8.190 1.00 0.00 N ATOM 0 H HIS A 38 3.224 -7.808 -5.336 1.00 0.00 H new ATOM 0 HA HIS A 38 4.258 -9.908 -6.904 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.092 -7.442 -6.210 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.004 -8.357 -5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.218 -9.695 -6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.605 -8.740 -10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.217 -9.771 -8.428 1.00 0.00 H new ATOM 640 N GLN A 39 4.776 -10.183 -3.643 1.00 0.00 N ATOM 641 CA GLN A 39 5.106 -11.134 -2.588 1.00 0.00 C ATOM 642 C GLN A 39 4.185 -12.350 -2.645 1.00 0.00 C ATOM 643 O GLN A 39 4.635 -13.488 -2.506 1.00 0.00 O ATOM 644 CB GLN A 39 5.000 -10.464 -1.217 1.00 0.00 C ATOM 645 CG GLN A 39 5.864 -9.220 -1.080 1.00 0.00 C ATOM 646 CD GLN A 39 7.258 -9.412 -1.644 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.459 -9.386 -2.857 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.231 -9.607 -0.760 1.00 0.00 N ATOM 0 H GLN A 39 4.575 -9.239 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 39 6.132 -11.469 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.960 -10.196 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.286 -11.182 -0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.380 -8.388 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.937 -8.947 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.019 -9.621 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.190 -9.743 -1.079 1.00 0.00 H new ATOM 657 N LEU A 40 2.897 -12.101 -2.848 1.00 0.00 N ATOM 658 CA LEU A 40 1.912 -13.175 -2.923 1.00 0.00 C ATOM 659 C LEU A 40 2.234 -14.129 -4.069 1.00 0.00 C ATOM 660 O LEU A 40 2.369 -15.336 -3.865 1.00 0.00 O ATOM 661 CB LEU A 40 0.509 -12.596 -3.105 1.00 0.00 C ATOM 662 CG LEU A 40 -0.630 -13.612 -3.194 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.770 -14.135 -4.614 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.398 -14.760 -2.221 1.00 0.00 C ATOM 0 H LEU A 40 2.509 -11.165 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 40 1.948 -13.734 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.305 -11.923 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.502 -11.992 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.559 -13.112 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.586 -14.857 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.984 -13.305 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.159 -14.619 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.218 -15.474 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.540 -15.259 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.350 -14.371 -1.204 1.00 0.00 H new ATOM 676 N ASP A 41 2.357 -13.580 -5.272 1.00 0.00 N ATOM 677 CA ASP A 41 2.666 -14.381 -6.451 1.00 0.00 C ATOM 678 C ASP A 41 3.929 -15.210 -6.229 1.00 0.00 C ATOM 679 O ASP A 41 4.020 -16.350 -6.682 1.00 0.00 O ATOM 680 CB ASP A 41 2.841 -13.481 -7.675 1.00 0.00 C ATOM 681 CG ASP A 41 2.465 -14.180 -8.966 1.00 0.00 C ATOM 682 OD1 ASP A 41 3.173 -15.134 -9.352 1.00 0.00 O ATOM 683 OD2 ASP A 41 1.462 -13.774 -9.591 1.00 0.00 O ATOM 0 H ASP A 41 2.247 -12.583 -5.457 1.00 0.00 H new ATOM 0 HA ASP A 41 1.832 -15.061 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.227 -12.588 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.878 -13.150 -7.733 1.00 0.00 H new ATOM 688 N GLU A 42 4.897 -14.627 -5.530 1.00 0.00 N ATOM 689 CA GLU A 42 6.154 -15.311 -5.250 1.00 0.00 C ATOM 690 C GLU A 42 5.959 -16.398 -4.198 1.00 0.00 C ATOM 691 O GLU A 42 6.575 -17.463 -4.267 1.00 0.00 O ATOM 692 CB GLU A 42 7.210 -14.311 -4.777 1.00 0.00 C ATOM 693 CG GLU A 42 8.439 -14.966 -4.168 1.00 0.00 C ATOM 694 CD GLU A 42 9.724 -14.246 -4.529 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.724 -12.996 -4.524 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.728 -14.930 -4.815 1.00 0.00 O ATOM 0 H GLU A 42 4.835 -13.683 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 42 6.496 -15.780 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.518 -13.694 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.762 -13.643 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.333 -14.990 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.500 -16.001 -4.506 1.00 0.00 H new ATOM 703 N LEU A 43 5.100 -16.123 -3.223 1.00 0.00 N ATOM 704 CA LEU A 43 4.823 -17.076 -2.154 1.00 0.00 C ATOM 705 C LEU A 43 4.084 -18.298 -2.693 1.00 0.00 C ATOM 706 O LEU A 43 4.231 -19.402 -2.172 1.00 0.00 O ATOM 707 CB LEU A 43 3.996 -16.411 -1.053 1.00 0.00 C ATOM 708 CG LEU A 43 3.309 -17.356 -0.066 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.321 -16.765 1.335 1.00 0.00 C ATOM 710 CD2 LEU A 43 1.885 -17.648 -0.511 1.00 0.00 C ATOM 0 H LEU A 43 4.583 -15.247 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 43 5.775 -17.404 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.647 -15.742 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.232 -15.792 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 43 3.862 -18.295 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.828 -17.451 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.351 -16.608 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.793 -15.812 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.412 -18.322 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.321 -16.717 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.900 -18.115 -1.496 1.00 0.00 H new ATOM 722 N ASN A 44 3.293 -18.091 -3.740 1.00 0.00 N ATOM 723 CA ASN A 44 2.534 -19.176 -4.350 1.00 0.00 C ATOM 724 C ASN A 44 3.438 -20.363 -4.666 1.00 0.00 C ATOM 725 O ASN A 44 3.122 -21.503 -4.327 1.00 0.00 O ATOM 726 CB ASN A 44 1.847 -18.690 -5.629 1.00 0.00 C ATOM 727 CG ASN A 44 0.476 -18.098 -5.360 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.487 -18.388 -6.068 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.385 -17.263 -4.332 1.00 0.00 N ATOM 0 H ASN A 44 3.161 -17.182 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 44 1.775 -19.500 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.474 -17.942 -6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.750 -19.523 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.511 -16.833 -4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.211 -17.052 -3.772 1.00 0.00 H new ATOM 736 N GLU A 45 4.563 -20.087 -5.317 1.00 0.00 N ATOM 737 CA GLU A 45 5.513 -21.133 -5.678 1.00 0.00 C ATOM 738 C GLU A 45 6.552 -21.327 -4.578 1.00 0.00 C ATOM 739 O GLU A 45 6.835 -22.453 -4.168 1.00 0.00 O ATOM 740 CB GLU A 45 6.209 -20.787 -6.996 1.00 0.00 C ATOM 741 CG GLU A 45 5.366 -21.083 -8.225 1.00 0.00 C ATOM 742 CD GLU A 45 5.069 -22.562 -8.386 1.00 0.00 C ATOM 743 OE1 GLU A 45 6.031 -23.354 -8.475 1.00 0.00 O ATOM 744 OE2 GLU A 45 3.875 -22.925 -8.422 1.00 0.00 O ATOM 0 H GLU A 45 4.839 -19.148 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 45 4.960 -22.064 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.471 -19.729 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.142 -21.347 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.427 -20.533 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.885 -20.722 -9.113 1.00 0.00 H new ATOM 751 N ASN A 46 7.117 -20.222 -4.103 1.00 0.00 N ATOM 752 CA ASN A 46 8.126 -20.271 -3.050 1.00 0.00 C ATOM 753 C ASN A 46 7.633 -21.090 -1.861 1.00 0.00 C ATOM 754 O ASN A 46 8.400 -21.823 -1.238 1.00 0.00 O ATOM 755 CB ASN A 46 8.485 -18.856 -2.593 1.00 0.00 C ATOM 756 CG ASN A 46 9.751 -18.821 -1.759 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.256 -19.860 -1.335 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.269 -17.623 -1.519 1.00 0.00 N ATOM 0 H ASN A 46 6.894 -19.282 -4.430 1.00 0.00 H new ATOM 0 HA ASN A 46 9.016 -20.752 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.611 -18.216 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.659 -18.444 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.120 -17.537 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.816 -16.788 -1.891 1.00 0.00 H new ATOM 765 N LYS A 47 6.346 -20.961 -1.553 1.00 0.00 N ATOM 766 CA LYS A 47 5.749 -21.690 -0.441 1.00 0.00 C ATOM 767 C LYS A 47 6.619 -21.587 0.808 1.00 0.00 C ATOM 768 O LYS A 47 6.706 -22.528 1.596 1.00 0.00 O ATOM 769 CB LYS A 47 5.550 -23.160 -0.817 1.00 0.00 C ATOM 770 CG LYS A 47 4.738 -23.360 -2.084 1.00 0.00 C ATOM 771 CD LYS A 47 3.252 -23.461 -1.784 1.00 0.00 C ATOM 772 CE LYS A 47 2.566 -24.466 -2.695 1.00 0.00 C ATOM 773 NZ LYS A 47 2.670 -25.855 -2.168 1.00 0.00 N ATOM 0 H LYS A 47 5.697 -20.358 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 47 4.779 -21.242 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.526 -23.629 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.054 -23.673 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.917 -22.529 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.070 -24.266 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.109 -23.754 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.788 -22.482 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.515 -24.198 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.013 -24.420 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.190 -26.510 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.672 -26.121 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.221 -25.905 -1.231 1.00 0.00 H new ATOM 787 N SER A 48 7.260 -20.435 0.983 1.00 0.00 N ATOM 788 CA SER A 48 8.125 -20.210 2.135 1.00 0.00 C ATOM 789 C SER A 48 7.298 -19.960 3.394 1.00 0.00 C ATOM 790 O SER A 48 6.406 -19.113 3.407 1.00 0.00 O ATOM 791 CB SER A 48 9.054 -19.021 1.878 1.00 0.00 C ATOM 792 OG SER A 48 10.170 -19.048 2.750 1.00 0.00 O ATOM 0 H SER A 48 7.196 -19.644 0.342 1.00 0.00 H new ATOM 0 HA SER A 48 8.727 -21.106 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.396 -19.040 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.504 -18.090 2.015 1.00 0.00 H new ATOM 0 HG SER A 48 10.749 -18.279 2.565 1.00 0.00 H new ATOM 798 N LYS A 49 7.604 -20.705 4.450 1.00 0.00 N ATOM 799 CA LYS A 49 6.892 -20.567 5.716 1.00 0.00 C ATOM 800 C LYS A 49 7.017 -19.146 6.258 1.00 0.00 C ATOM 801 O LYS A 49 6.037 -18.556 6.710 1.00 0.00 O ATOM 802 CB LYS A 49 7.434 -21.565 6.742 1.00 0.00 C ATOM 803 CG LYS A 49 8.943 -21.509 6.906 1.00 0.00 C ATOM 804 CD LYS A 49 9.547 -22.901 6.988 1.00 0.00 C ATOM 805 CE LYS A 49 10.812 -23.011 6.151 1.00 0.00 C ATOM 806 NZ LYS A 49 12.035 -22.741 6.956 1.00 0.00 N ATOM 0 H LYS A 49 8.340 -21.411 4.455 1.00 0.00 H new ATOM 0 HA LYS A 49 5.838 -20.778 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.965 -21.373 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.146 -22.573 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.381 -20.970 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.191 -20.950 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.775 -23.139 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.818 -23.636 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.875 -24.009 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.761 -22.306 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.876 -22.826 6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.987 -21.779 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.098 -23.429 7.733 1.00 0.00 H new ATOM 820 N GLU A 50 8.230 -18.604 6.207 1.00 0.00 N ATOM 821 CA GLU A 50 8.482 -17.252 6.694 1.00 0.00 C ATOM 822 C GLU A 50 7.599 -16.240 5.969 1.00 0.00 C ATOM 823 O GLU A 50 6.936 -15.415 6.599 1.00 0.00 O ATOM 824 CB GLU A 50 9.955 -16.886 6.506 1.00 0.00 C ATOM 825 CG GLU A 50 10.916 -17.903 7.098 1.00 0.00 C ATOM 826 CD GLU A 50 10.726 -18.084 8.592 1.00 0.00 C ATOM 827 OE1 GLU A 50 11.027 -17.135 9.347 1.00 0.00 O ATOM 828 OE2 GLU A 50 10.277 -19.173 9.006 1.00 0.00 O ATOM 0 H GLU A 50 9.052 -19.079 5.834 1.00 0.00 H new ATOM 0 HA GLU A 50 8.240 -17.224 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.161 -16.781 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.140 -15.914 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.777 -18.862 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.940 -17.587 6.901 1.00 0.00 H new ATOM 835 N LEU A 51 7.595 -16.310 4.643 1.00 0.00 N ATOM 836 CA LEU A 51 6.795 -15.400 3.831 1.00 0.00 C ATOM 837 C LEU A 51 5.308 -15.581 4.116 1.00 0.00 C ATOM 838 O LEU A 51 4.535 -14.624 4.066 1.00 0.00 O ATOM 839 CB LEU A 51 7.073 -15.632 2.344 1.00 0.00 C ATOM 840 CG LEU A 51 6.482 -14.600 1.383 1.00 0.00 C ATOM 841 CD1 LEU A 51 6.792 -13.189 1.856 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.012 -14.822 -0.027 1.00 0.00 C ATOM 0 H LEU A 51 8.137 -16.988 4.107 1.00 0.00 H new ATOM 0 HA LEU A 51 7.075 -14.379 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.153 -15.660 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.688 -16.615 2.072 1.00 0.00 H new ATOM 0 HG LEU A 51 5.399 -14.724 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.363 -12.469 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.364 -13.035 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.872 -13.050 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.582 -14.079 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.098 -14.725 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.737 -15.821 -0.366 1.00 0.00 H new ATOM 854 N GLN A 52 4.914 -16.815 4.417 1.00 0.00 N ATOM 855 CA GLN A 52 3.520 -17.121 4.712 1.00 0.00 C ATOM 856 C GLN A 52 3.059 -16.400 5.975 1.00 0.00 C ATOM 857 O GLN A 52 2.143 -15.579 5.933 1.00 0.00 O ATOM 858 CB GLN A 52 3.329 -18.630 4.874 1.00 0.00 C ATOM 859 CG GLN A 52 2.039 -19.007 5.583 1.00 0.00 C ATOM 860 CD GLN A 52 0.804 -18.649 4.779 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.780 -17.641 4.073 1.00 0.00 O ATOM 862 NE2 GLN A 52 -0.229 -19.476 4.882 1.00 0.00 N ATOM 0 H GLN A 52 5.541 -17.618 4.463 1.00 0.00 H new ATOM 0 HA GLN A 52 2.914 -16.773 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.343 -19.097 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.173 -19.037 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.039 -20.078 5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.998 -18.502 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.165 -20.300 5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.087 -19.287 4.364 1.00 0.00 H new ATOM 871 N GLU A 53 3.702 -16.712 7.096 1.00 0.00 N ATOM 872 CA GLU A 53 3.356 -16.095 8.371 1.00 0.00 C ATOM 873 C GLU A 53 3.590 -14.587 8.326 1.00 0.00 C ATOM 874 O GLU A 53 2.909 -13.821 9.009 1.00 0.00 O ATOM 875 CB GLU A 53 4.178 -16.715 9.502 1.00 0.00 C ATOM 876 CG GLU A 53 3.474 -17.864 10.207 1.00 0.00 C ATOM 877 CD GLU A 53 4.142 -18.244 11.514 1.00 0.00 C ATOM 878 OE1 GLU A 53 4.012 -17.476 12.491 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.795 -19.307 11.561 1.00 0.00 O ATOM 0 H GLU A 53 4.464 -17.388 7.147 1.00 0.00 H new ATOM 0 HA GLU A 53 2.298 -16.277 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.125 -17.073 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.416 -15.942 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.438 -17.586 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.454 -18.732 9.548 1.00 0.00 H new ATOM 886 N LYS A 54 4.556 -14.168 7.517 1.00 0.00 N ATOM 887 CA LYS A 54 4.882 -12.753 7.380 1.00 0.00 C ATOM 888 C LYS A 54 3.780 -12.012 6.630 1.00 0.00 C ATOM 889 O LYS A 54 3.227 -11.032 7.130 1.00 0.00 O ATOM 890 CB LYS A 54 6.215 -12.583 6.650 1.00 0.00 C ATOM 891 CG LYS A 54 7.427 -12.723 7.554 1.00 0.00 C ATOM 892 CD LYS A 54 7.772 -11.407 8.232 1.00 0.00 C ATOM 893 CE LYS A 54 7.129 -11.303 9.605 1.00 0.00 C ATOM 894 NZ LYS A 54 7.906 -10.419 10.517 1.00 0.00 N ATOM 0 H LYS A 54 5.128 -14.789 6.945 1.00 0.00 H new ATOM 0 HA LYS A 54 4.967 -12.327 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.280 -13.323 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.237 -11.602 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.232 -13.483 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.280 -13.067 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.854 -11.319 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.439 -10.577 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.115 -10.917 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.049 -12.297 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.434 -10.375 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.866 -10.801 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.961 -9.463 10.111 1.00 0.00 H new ATOM 908 N ILE A 55 3.465 -12.487 5.430 1.00 0.00 N ATOM 909 CA ILE A 55 2.428 -11.870 4.613 1.00 0.00 C ATOM 910 C ILE A 55 1.085 -11.871 5.336 1.00 0.00 C ATOM 911 O ILE A 55 0.325 -10.905 5.258 1.00 0.00 O ATOM 912 CB ILE A 55 2.270 -12.593 3.262 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.493 -12.339 2.378 1.00 0.00 C ATOM 914 CG2 ILE A 55 0.999 -12.137 2.562 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.441 -13.065 1.052 1.00 0.00 C ATOM 0 H ILE A 55 3.913 -13.297 5.002 1.00 0.00 H new ATOM 0 HA ILE A 55 2.740 -10.842 4.432 1.00 0.00 H new ATOM 0 HB ILE A 55 2.194 -13.665 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.582 -11.268 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.390 -12.645 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.902 -12.657 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.137 -12.364 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.046 -11.062 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.340 -12.839 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.383 -14.139 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.563 -12.741 0.494 1.00 0.00 H new ATOM 927 N ILE A 56 0.800 -12.961 6.041 1.00 0.00 N ATOM 928 CA ILE A 56 -0.450 -13.086 6.781 1.00 0.00 C ATOM 929 C ILE A 56 -0.612 -11.949 7.783 1.00 0.00 C ATOM 930 O ILE A 56 -1.681 -11.348 7.889 1.00 0.00 O ATOM 931 CB ILE A 56 -0.527 -14.429 7.531 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.712 -15.581 6.540 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.665 -14.407 8.541 1.00 0.00 C ATOM 934 CD1 ILE A 56 -0.307 -16.928 7.097 1.00 0.00 C ATOM 0 H ILE A 56 1.417 -13.770 6.115 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.256 -13.040 6.049 1.00 0.00 H new ATOM 0 HB ILE A 56 0.409 -14.582 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.758 -15.623 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.126 -15.376 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.707 -15.363 9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.496 -13.607 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.608 -14.235 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.465 -17.697 6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.746 -16.904 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.910 -17.155 7.976 1.00 0.00 H new ATOM 946 N ARG A 57 0.458 -11.656 8.516 1.00 0.00 N ATOM 947 CA ARG A 57 0.434 -10.589 9.509 1.00 0.00 C ATOM 948 C ARG A 57 0.314 -9.224 8.838 1.00 0.00 C ATOM 949 O ARG A 57 -0.562 -8.430 9.179 1.00 0.00 O ATOM 950 CB ARG A 57 1.699 -10.636 10.370 1.00 0.00 C ATOM 951 CG ARG A 57 1.503 -11.341 11.701 1.00 0.00 C ATOM 952 CD ARG A 57 1.597 -12.851 11.552 1.00 0.00 C ATOM 953 NE ARG A 57 1.118 -13.550 12.741 1.00 0.00 N ATOM 954 CZ ARG A 57 0.970 -14.868 12.810 1.00 0.00 C ATOM 955 NH1 ARG A 57 1.264 -15.627 11.763 1.00 0.00 N ATOM 956 NH2 ARG A 57 0.530 -15.431 13.928 1.00 0.00 N ATOM 0 H ARG A 57 1.351 -12.142 8.441 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.438 -10.740 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.488 -11.141 9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.041 -9.618 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.256 -10.997 12.410 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.530 -11.075 12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.014 -13.167 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.632 -13.132 11.359 1.00 0.00 H new ATOM 0 HE ARG A 57 0.884 -12.995 13.564 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.605 -15.199 10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.149 -16.639 11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.305 -14.851 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.417 -16.443 13.979 1.00 0.00 H new ATOM 970 N GLU A 58 1.201 -8.959 7.884 1.00 0.00 N ATOM 971 CA GLU A 58 1.193 -7.689 7.166 1.00 0.00 C ATOM 972 C GLU A 58 -0.167 -7.436 6.522 1.00 0.00 C ATOM 973 O GLU A 58 -0.777 -6.386 6.727 1.00 0.00 O ATOM 974 CB GLU A 58 2.287 -7.677 6.097 1.00 0.00 C ATOM 975 CG GLU A 58 3.179 -6.447 6.151 1.00 0.00 C ATOM 976 CD GLU A 58 3.481 -5.884 4.776 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.399 -6.405 4.110 1.00 0.00 O ATOM 978 OE2 GLU A 58 2.798 -4.922 4.366 1.00 0.00 O ATOM 0 H GLU A 58 1.933 -9.605 7.590 1.00 0.00 H new ATOM 0 HA GLU A 58 1.388 -6.893 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.904 -8.568 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.822 -7.735 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.696 -5.679 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.115 -6.703 6.648 1.00 0.00 H new ATOM 985 N LEU A 59 -0.634 -8.404 5.742 1.00 0.00 N ATOM 986 CA LEU A 59 -1.922 -8.287 5.067 1.00 0.00 C ATOM 987 C LEU A 59 -3.055 -8.128 6.077 1.00 0.00 C ATOM 988 O LEU A 59 -3.976 -7.339 5.871 1.00 0.00 O ATOM 989 CB LEU A 59 -2.174 -9.515 4.190 1.00 0.00 C ATOM 990 CG LEU A 59 -2.972 -9.273 2.908 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.213 -10.582 2.174 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.291 -8.585 3.223 1.00 0.00 C ATOM 0 H LEU A 59 -0.141 -9.278 5.561 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.894 -7.398 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.211 -9.946 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.700 -10.260 4.786 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.390 -8.619 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.782 -10.390 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.256 -11.035 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.774 -11.261 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.845 -8.421 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.879 -9.214 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.096 -7.627 3.704 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.977 -8.881 7.168 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.993 -8.822 8.212 1.00 0.00 C ATOM 1006 C ASP A 60 -4.053 -7.429 8.833 1.00 0.00 C ATOM 1007 O ASP A 60 -5.117 -6.814 8.896 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.704 -9.864 9.294 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.731 -9.839 10.410 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.920 -10.091 10.127 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.343 -9.568 11.565 1.00 0.00 O ATOM 0 H ASP A 60 -2.220 -9.540 7.353 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.959 -9.040 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.685 -10.856 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.713 -9.685 9.712 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.906 -6.940 9.289 1.00 0.00 N ATOM 1017 CA VAL A 61 -2.828 -5.621 9.904 1.00 0.00 C ATOM 1018 C VAL A 61 -3.348 -4.543 8.960 1.00 0.00 C ATOM 1019 O VAL A 61 -4.222 -3.754 9.322 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.383 -5.277 10.314 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.328 -3.909 10.978 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.821 -6.348 11.235 1.00 0.00 C ATOM 0 H VAL A 61 -2.017 -7.438 9.244 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.453 -5.650 10.796 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.767 -5.244 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.300 -3.683 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.688 -3.152 10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.957 -3.911 11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.200 -6.088 11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.436 -6.416 12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.823 -7.309 10.720 1.00 0.00 H new ATOM 1032 N VAL A 62 -2.805 -4.514 7.748 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.215 -3.533 6.749 1.00 0.00 C ATOM 1034 C VAL A 62 -4.700 -3.661 6.432 1.00 0.00 C ATOM 1035 O VAL A 62 -5.459 -2.699 6.566 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.408 -3.686 5.447 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -2.891 -2.697 4.398 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -0.922 -3.506 5.717 1.00 0.00 C ATOM 0 H VAL A 62 -2.080 -5.158 7.433 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.020 -2.548 7.174 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.565 -4.693 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.308 -2.821 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.944 -2.879 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.768 -1.681 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.367 -3.617 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.745 -2.512 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.588 -4.259 6.431 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.109 -4.851 6.010 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.505 -5.106 5.672 1.00 0.00 C ATOM 1050 C CYS A 63 -7.421 -4.738 6.835 1.00 0.00 C ATOM 1051 O CYS A 63 -8.584 -4.386 6.635 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.702 -6.575 5.296 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.379 -6.981 4.754 1.00 0.00 S ATOM 0 H CYS A 63 -4.494 -5.656 5.893 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.765 -4.483 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.003 -6.832 4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.449 -7.196 6.156 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.445 -8.245 4.456 1.00 0.00 H new ATOM 1059 N ALA A 64 -6.890 -4.826 8.050 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.660 -4.502 9.245 1.00 0.00 C ATOM 1061 C ALA A 64 -7.905 -3.001 9.351 1.00 0.00 C ATOM 1062 O ALA A 64 -9.050 -2.552 9.399 1.00 0.00 O ATOM 1063 CB ALA A 64 -6.943 -5.010 10.488 1.00 0.00 C ATOM 0 H ALA A 64 -5.930 -5.119 8.233 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.628 -4.997 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.529 -4.761 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.825 -6.092 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.962 -4.541 10.559 1.00 0.00 H new ATOM 1069 N MET A 65 -6.823 -2.230 9.387 1.00 0.00 N ATOM 1070 CA MET A 65 -6.922 -0.778 9.488 1.00 0.00 C ATOM 1071 C MET A 65 -7.610 -0.195 8.258 1.00 0.00 C ATOM 1072 O MET A 65 -8.350 0.784 8.356 1.00 0.00 O ATOM 1073 CB MET A 65 -5.532 -0.161 9.649 1.00 0.00 C ATOM 1074 CG MET A 65 -4.720 -0.147 8.364 1.00 0.00 C ATOM 1075 SD MET A 65 -3.088 0.589 8.582 1.00 0.00 S ATOM 1076 CE MET A 65 -2.171 -0.808 9.228 1.00 0.00 C ATOM 0 H MET A 65 -5.868 -2.586 9.348 1.00 0.00 H new ATOM 0 HA MET A 65 -7.521 -0.539 10.366 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.637 0.861 10.014 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.983 -0.716 10.410 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.608 -1.168 7.998 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.265 0.407 7.600 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.593 -0.493 10.097 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.866 -1.595 9.520 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.496 -1.186 8.460 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.363 -0.802 7.102 1.00 0.00 N ATOM 1087 CA ILE A 66 -7.959 -0.342 5.855 1.00 0.00 C ATOM 1088 C ILE A 66 -9.463 -0.597 5.838 1.00 0.00 C ATOM 1089 O ILE A 66 -10.249 0.293 5.518 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.319 -1.033 4.636 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.200 -0.164 4.060 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.372 -1.322 3.577 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.123 0.181 5.065 1.00 0.00 C ATOM 0 H ILE A 66 -6.754 -1.614 7.004 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.773 0.730 5.793 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.888 -1.981 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.745 -0.684 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.631 0.758 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.904 -1.810 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.138 -1.976 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.830 -0.387 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.363 0.799 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.564 0.729 5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.665 -0.736 5.436 1.00 0.00 H new ATOM 1105 N GLU A 67 -9.854 -1.819 6.186 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.264 -2.190 6.211 1.00 0.00 C ATOM 1107 C GLU A 67 -12.043 -1.301 7.175 1.00 0.00 C ATOM 1108 O GLU A 67 -13.107 -0.783 6.836 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.420 -3.658 6.615 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.219 -4.631 5.465 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.514 -5.278 5.016 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.584 -4.668 5.221 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.458 -6.394 4.457 1.00 0.00 O ATOM 0 H GLU A 67 -9.215 -2.568 6.454 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.668 -2.051 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.703 -3.887 7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.414 -3.806 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.769 -4.105 4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.516 -5.407 5.769 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.506 -1.128 8.379 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.164 -0.302 9.374 1.00 0.00 C ATOM 1122 C GLY A 68 -12.183 1.164 8.989 1.00 0.00 C ATOM 1123 O GLY A 68 -13.154 1.871 9.259 1.00 0.00 O ATOM 0 H GLY A 68 -10.626 -1.546 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.187 -0.651 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.655 -0.417 10.331 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.107 1.622 8.359 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.004 3.013 7.936 1.00 0.00 C ATOM 1129 C ALA A 69 -11.969 3.313 6.795 1.00 0.00 C ATOM 1130 O ALA A 69 -12.804 4.212 6.897 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.576 3.334 7.520 1.00 0.00 C ATOM 0 H ALA A 69 -10.294 1.050 8.130 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.275 3.645 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.514 4.376 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.905 3.168 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.284 2.688 6.692 1.00 0.00 H new ATOM 1137 N GLN A 70 -11.848 2.557 5.709 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.710 2.744 4.548 1.00 0.00 C ATOM 1139 C GLN A 70 -14.177 2.567 4.926 1.00 0.00 C ATOM 1140 O GLN A 70 -15.042 3.309 4.461 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.333 1.757 3.442 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.572 0.303 3.816 1.00 0.00 C ATOM 1143 CD GLN A 70 -13.954 -0.181 3.427 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -14.690 -0.724 4.251 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -14.316 0.015 2.164 1.00 0.00 N ATOM 0 H GLN A 70 -11.162 1.809 5.609 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.568 3.761 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.907 1.992 2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.281 1.891 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.823 -0.321 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.438 0.182 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.674 0.469 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.236 -0.289 1.844 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.451 1.578 5.771 1.00 0.00 N ATOM 1155 CA GLY A 71 -15.815 1.321 6.195 1.00 0.00 C ATOM 1156 C GLY A 71 -16.382 2.447 7.037 1.00 0.00 C ATOM 1157 O GLY A 71 -17.509 2.888 6.817 1.00 0.00 O ATOM 0 H GLY A 71 -13.753 0.950 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.444 1.176 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.846 0.393 6.766 1.00 0.00 H new ATOM 1161 N ALA A 72 -15.598 2.913 8.004 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.028 3.995 8.882 1.00 0.00 C ATOM 1163 C ALA A 72 -16.352 5.253 8.084 1.00 0.00 C ATOM 1164 O ALA A 72 -17.459 5.787 8.169 1.00 0.00 O ATOM 1165 CB ALA A 72 -14.957 4.288 9.921 1.00 0.00 C ATOM 0 H ALA A 72 -14.662 2.558 8.199 1.00 0.00 H new ATOM 0 HA ALA A 72 -16.937 3.676 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.291 5.098 10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.776 3.395 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.035 4.582 9.420 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.381 5.723 7.309 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.563 6.920 6.495 1.00 0.00 C ATOM 1173 C LEU A 73 -16.699 6.731 5.494 1.00 0.00 C ATOM 1174 O LEU A 73 -17.436 7.670 5.194 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.267 7.259 5.755 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.719 6.174 4.829 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -14.309 6.313 3.434 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -12.199 6.236 4.777 1.00 0.00 C ATOM 0 H LEU A 73 -14.459 5.294 7.227 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.822 7.745 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.434 8.161 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.502 7.498 6.494 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.010 5.202 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.907 5.532 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.394 6.218 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.050 7.290 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.826 5.456 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.887 7.211 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.794 6.085 5.778 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.833 5.511 4.983 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.880 5.199 4.017 1.00 0.00 C ATOM 1192 C GLU A 74 -19.262 5.444 4.616 1.00 0.00 C ATOM 1193 O GLU A 74 -20.103 6.112 4.013 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.763 3.746 3.555 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.936 3.575 2.291 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.545 4.281 1.096 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -18.780 4.199 0.923 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -16.789 4.917 0.333 1.00 0.00 O ATOM 0 H GLU A 74 -16.230 4.723 5.222 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.753 5.857 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.317 3.154 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.762 3.347 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.931 3.961 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.835 2.513 2.068 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.491 4.897 5.806 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.771 5.053 6.485 1.00 0.00 C ATOM 1207 C ARG A 75 -20.981 6.500 6.924 1.00 0.00 C ATOM 1208 O ARG A 75 -22.109 6.990 6.959 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.845 4.126 7.700 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.122 2.675 7.342 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.566 2.476 6.907 1.00 0.00 C ATOM 1212 NE ARG A 75 -22.970 1.074 6.975 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.236 0.674 6.985 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.217 1.564 6.931 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.524 -0.620 7.050 1.00 0.00 N ATOM 0 H ARG A 75 -18.806 4.342 6.319 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.561 4.785 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -19.905 4.183 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.627 4.482 8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.453 2.362 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.909 2.040 8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.221 3.073 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.691 2.840 5.887 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.240 0.363 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.000 2.559 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.188 1.253 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.772 -1.308 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.497 -0.926 7.058 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.886 7.177 7.257 1.00 0.00 N ATOM 1230 CA GLU A 76 -19.951 8.566 7.694 1.00 0.00 C ATOM 1231 C GLU A 76 -20.317 9.486 6.532 1.00 0.00 C ATOM 1232 O GLU A 76 -21.219 10.317 6.644 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.613 8.998 8.298 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.725 10.184 9.241 1.00 0.00 C ATOM 1235 CD GLU A 76 -19.245 9.793 10.610 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -18.858 8.714 11.107 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -20.040 10.566 11.185 1.00 0.00 O ATOM 0 H GLU A 76 -18.944 6.786 7.232 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.727 8.644 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.179 8.156 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.924 9.250 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.746 10.652 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.389 10.930 8.804 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.612 9.329 5.417 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.862 10.146 4.234 1.00 0.00 C ATOM 1246 C LEU A 77 -21.169 9.741 3.559 1.00 0.00 C ATOM 1247 O LEU A 77 -21.803 10.547 2.878 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.702 10.012 3.245 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.470 8.616 2.667 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.253 8.436 1.376 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.986 8.377 2.430 1.00 0.00 C ATOM 0 H LEU A 77 -18.864 8.645 5.307 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.945 11.186 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.874 10.701 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.787 10.334 3.743 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.826 7.881 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.075 7.436 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.317 8.564 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.929 9.179 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.839 7.378 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.606 9.118 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.448 8.463 3.374 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.568 8.489 3.757 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.802 7.977 3.172 1.00 0.00 C ATOM 1265 C LYS A 78 -24.016 8.693 3.752 1.00 0.00 C ATOM 1266 O LYS A 78 -25.119 8.603 3.211 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.918 6.472 3.415 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.372 5.627 2.277 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.316 5.616 1.086 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.555 5.697 -0.228 1.00 0.00 C ATOM 1271 NZ LYS A 78 -21.760 6.951 -0.334 1.00 0.00 N ATOM 0 H LYS A 78 -21.054 7.810 4.318 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.772 8.164 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.386 6.219 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.966 6.218 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.401 6.014 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.212 4.606 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.917 4.707 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.007 6.456 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -21.890 4.838 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.259 5.642 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.682 7.229 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.233 7.708 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -20.809 6.793 0.057 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.367 15.416 -4.533 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.741 16.513 -5.265 1.00 0.00 C ATOM 1356 C ASN A 83 -23.922 15.985 -6.439 1.00 0.00 C ATOM 1357 O ASN A 83 -23.472 14.839 -6.429 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.848 17.332 -4.332 1.00 0.00 C ATOM 1359 CG ASN A 83 -24.366 18.742 -4.125 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.661 19.149 -3.002 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.480 19.495 -5.213 1.00 0.00 N ATOM 0 HA ASN A 83 -25.531 17.155 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.777 16.829 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.840 17.375 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.824 20.452 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.224 19.116 -6.125 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.732 16.829 -7.448 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.966 16.449 -8.627 1.00 0.00 C ATOM 1370 C ILE A 84 -21.526 16.107 -8.261 1.00 0.00 C ATOM 1371 O ILE A 84 -21.049 15.005 -8.532 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.963 17.571 -9.683 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.396 17.928 -10.081 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.158 17.149 -10.903 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.489 19.145 -10.977 1.00 0.00 C ATOM 0 H ILE A 84 -24.099 17.781 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.451 15.568 -9.047 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.494 18.455 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.846 17.076 -10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.982 18.105 -9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.166 17.952 -11.640 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.131 16.939 -10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.600 16.253 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.534 19.339 -11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.069 20.009 -10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.931 18.964 -11.896 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.837 17.060 -7.642 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.450 16.861 -7.235 1.00 0.00 C ATOM 1389 C LEU A 85 -19.337 15.723 -6.227 1.00 0.00 C ATOM 1390 O LEU A 85 -18.496 14.835 -6.370 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.884 18.149 -6.634 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.408 18.111 -6.235 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.547 17.685 -7.413 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.963 19.467 -5.708 1.00 0.00 C ATOM 0 H LEU A 85 -21.216 17.978 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.872 16.596 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.024 18.955 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.472 18.404 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.285 17.377 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.500 17.664 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.849 16.691 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.673 18.394 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.910 19.421 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.101 20.221 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.559 19.731 -4.834 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.190 15.754 -5.209 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.186 14.723 -4.177 1.00 0.00 C ATOM 1408 C GLU A 86 -20.405 13.342 -4.787 1.00 0.00 C ATOM 1409 O GLU A 86 -19.728 12.378 -4.428 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.268 15.009 -3.134 1.00 0.00 C ATOM 1411 CG GLU A 86 -21.073 16.325 -2.400 1.00 0.00 C ATOM 1412 CD GLU A 86 -22.053 16.507 -1.257 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.694 15.511 -0.862 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -22.179 17.645 -0.758 1.00 0.00 O ATOM 0 H GLU A 86 -20.893 16.481 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.211 14.736 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.241 15.017 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.284 14.196 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.055 16.373 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.185 17.149 -3.104 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.357 13.254 -5.711 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.668 11.991 -6.370 1.00 0.00 C ATOM 1423 C ARG A 87 -20.457 11.465 -7.135 1.00 0.00 C ATOM 1424 O ARG A 87 -20.128 10.280 -7.061 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.850 12.167 -7.324 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.150 10.931 -8.157 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.406 11.114 -8.993 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.599 11.272 -8.164 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.160 10.275 -7.488 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -25.640 9.056 -7.542 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.244 10.498 -6.755 1.00 0.00 N ATOM 0 H ARG A 87 -21.926 14.042 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.935 11.265 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.736 12.429 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.646 13.004 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.304 10.718 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.271 10.069 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.291 11.989 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.533 10.253 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.024 12.197 -8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.807 8.881 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -26.073 8.293 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -27.646 11.434 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -27.675 9.733 -6.236 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.796 12.353 -7.871 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.623 11.978 -8.651 1.00 0.00 C ATOM 1447 C PHE A 88 -17.529 11.414 -7.750 1.00 0.00 C ATOM 1448 O PHE A 88 -17.055 10.298 -7.956 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.090 13.187 -9.424 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.772 12.935 -10.097 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.605 11.846 -10.937 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.700 13.787 -9.890 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.393 11.611 -11.557 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.484 13.558 -10.508 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.332 12.468 -11.343 1.00 0.00 C ATOM 0 H PHE A 88 -20.053 13.337 -7.943 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.921 11.205 -9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.823 13.479 -10.176 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.984 14.028 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.432 11.173 -11.109 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.815 14.640 -9.238 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.276 10.758 -12.208 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.655 14.230 -10.338 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.384 12.286 -11.828 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.131 12.194 -6.751 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.092 11.774 -5.818 1.00 0.00 C ATOM 1467 C ASN A 89 -16.512 10.514 -5.068 1.00 0.00 C ATOM 1468 O ASN A 89 -15.700 9.618 -4.834 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.786 12.895 -4.823 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.568 14.231 -5.506 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -16.138 15.247 -5.106 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.740 14.237 -6.544 1.00 0.00 N ATOM 0 H ASN A 89 -17.513 13.122 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.192 11.552 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.609 12.983 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.897 12.634 -4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.555 15.107 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.289 13.372 -6.842 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.785 10.450 -4.696 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.313 9.300 -3.971 1.00 0.00 C ATOM 1481 C TYR A 90 -18.262 8.043 -4.833 1.00 0.00 C ATOM 1482 O TYR A 90 -17.864 6.975 -4.368 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.751 9.569 -3.524 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.849 10.308 -2.209 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.923 11.287 -1.869 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.867 10.029 -1.306 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -19.007 11.964 -0.668 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.961 10.702 -0.104 1.00 0.00 C ATOM 1489 CZ TYR A 90 -20.029 11.669 0.211 1.00 0.00 C ATOM 1490 OH TYR A 90 -20.117 12.342 1.408 1.00 0.00 O ATOM 0 H TYR A 90 -18.471 11.181 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.691 9.140 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.260 10.148 -4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.279 8.619 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.124 11.523 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.598 9.272 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.277 12.720 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.760 10.473 0.586 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.693 11.841 2.023 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.669 8.179 -6.090 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.670 7.054 -7.019 1.00 0.00 C ATOM 1502 C GLU A 91 -17.261 6.497 -7.200 1.00 0.00 C ATOM 1503 O GLU A 91 -17.025 5.305 -7.011 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.240 7.482 -8.373 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.228 6.376 -9.415 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.016 6.737 -10.658 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -19.466 7.450 -11.524 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.184 6.307 -10.766 1.00 0.00 O ATOM 0 H GLU A 91 -19.002 9.056 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.301 6.270 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.264 7.827 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.666 8.329 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.198 6.156 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.641 5.467 -8.979 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.329 7.370 -7.570 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.944 6.965 -7.778 1.00 0.00 C ATOM 1517 C GLU A 92 -14.344 6.399 -6.495 1.00 0.00 C ATOM 1518 O GLU A 92 -13.744 5.324 -6.500 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.110 8.153 -8.264 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.634 7.832 -8.431 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.799 9.063 -8.721 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.819 10.001 -7.895 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -11.124 9.091 -9.771 1.00 0.00 O ATOM 0 H GLU A 92 -16.508 8.361 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.931 6.185 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.508 8.500 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.217 8.975 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.265 7.353 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.511 7.115 -9.243 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.510 7.129 -5.398 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.986 6.700 -4.108 1.00 0.00 C ATOM 1532 C ALA A 93 -14.416 5.272 -3.788 1.00 0.00 C ATOM 1533 O ALA A 93 -13.594 4.439 -3.407 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.445 7.649 -3.010 1.00 0.00 C ATOM 0 H ALA A 93 -15.004 8.021 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.897 6.721 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.046 7.317 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.084 8.655 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.534 7.656 -2.967 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.707 4.999 -3.943 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.244 3.671 -3.670 1.00 0.00 C ATOM 1542 C GLN A 94 -15.703 2.649 -4.665 1.00 0.00 C ATOM 1543 O GLN A 94 -15.466 1.493 -4.316 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.774 3.696 -3.726 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.425 4.044 -2.397 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.873 3.604 -2.325 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.270 2.879 -1.411 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.674 4.039 -3.291 1.00 0.00 N ATOM 0 H GLN A 94 -16.400 5.679 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.928 3.377 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.090 4.420 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.133 2.720 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.866 3.574 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.368 5.121 -2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.304 4.638 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.659 3.774 -3.295 1.00 0.00 H new ATOM 1557 N THR A 95 -15.512 3.084 -5.907 1.00 0.00 N ATOM 1558 CA THR A 95 -15.000 2.207 -6.952 1.00 0.00 C ATOM 1559 C THR A 95 -13.631 1.648 -6.581 1.00 0.00 C ATOM 1560 O THR A 95 -13.413 0.437 -6.619 1.00 0.00 O ATOM 1561 CB THR A 95 -14.894 2.944 -8.301 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.182 3.423 -8.702 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.331 2.027 -9.376 1.00 0.00 C ATOM 0 H THR A 95 -15.704 4.038 -6.213 1.00 0.00 H new ATOM 0 HA THR A 95 -15.709 1.385 -7.050 1.00 0.00 H new ATOM 0 HB THR A 95 -14.217 3.789 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.541 4.016 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.266 2.569 -10.319 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.337 1.689 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.986 1.165 -9.498 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.713 2.537 -6.223 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.363 2.132 -5.843 1.00 0.00 C ATOM 1573 C LEU A 96 -11.379 1.342 -4.539 1.00 0.00 C ATOM 1574 O LEU A 96 -10.706 0.319 -4.414 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.463 3.360 -5.698 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.454 4.330 -6.882 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.646 5.574 -6.546 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.899 3.650 -8.124 1.00 0.00 C ATOM 0 H LEU A 96 -12.877 3.543 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.967 1.490 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.771 3.908 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.442 3.019 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.481 4.633 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.651 6.252 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.088 6.073 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.620 5.290 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.900 4.354 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.879 3.317 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.520 2.790 -8.376 1.00 0.00 H new ATOM 1590 N SER A 97 -12.153 1.822 -3.571 1.00 0.00 N ATOM 1591 CA SER A 97 -12.255 1.161 -2.276 1.00 0.00 C ATOM 1592 C SER A 97 -12.770 -0.266 -2.433 1.00 0.00 C ATOM 1593 O SER A 97 -12.235 -1.202 -1.837 1.00 0.00 O ATOM 1594 CB SER A 97 -13.181 1.950 -1.349 1.00 0.00 C ATOM 1595 OG SER A 97 -12.793 1.803 0.007 1.00 0.00 O ATOM 0 H SER A 97 -12.719 2.666 -3.659 1.00 0.00 H new ATOM 0 HA SER A 97 -11.258 1.122 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.162 3.005 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.207 1.606 -1.476 1.00 0.00 H new ATOM 0 HG SER A 97 -12.882 2.663 0.468 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.813 -0.427 -3.240 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.401 -1.739 -3.479 1.00 0.00 C ATOM 1603 C LYS A 98 -13.399 -2.671 -4.153 1.00 0.00 C ATOM 1604 O LYS A 98 -13.181 -3.795 -3.701 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.655 -1.609 -4.347 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.920 -1.343 -3.550 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.152 -1.356 -4.440 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.117 -0.226 -5.457 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.466 0.056 -6.021 1.00 0.00 N ATOM 0 H LYS A 98 -14.269 0.336 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.676 -2.166 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.509 -0.800 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.784 -2.525 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.025 -2.097 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.841 -0.377 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.217 -2.312 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.047 -1.266 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.725 0.675 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.433 -0.486 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.399 0.832 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.830 -0.796 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.113 0.329 -5.254 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.790 -2.195 -5.235 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.810 -2.985 -5.968 1.00 0.00 C ATOM 1625 C ILE A 99 -10.648 -3.394 -5.068 1.00 0.00 C ATOM 1626 O ILE A 99 -10.252 -4.559 -5.038 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.257 -2.212 -7.180 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.391 -1.846 -8.140 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.196 -3.036 -7.895 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.102 -0.621 -8.979 1.00 0.00 C ATOM 0 H ILE A 99 -12.959 -1.267 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.326 -3.878 -6.320 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.795 -1.291 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.584 -2.691 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.302 -1.676 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.815 -2.476 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.378 -3.251 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.634 -3.972 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.949 -0.421 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.939 0.237 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.210 -0.794 -9.581 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.109 -2.428 -4.333 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.994 -2.687 -3.429 1.00 0.00 C ATOM 1644 C LEU A 100 -9.355 -3.766 -2.413 1.00 0.00 C ATOM 1645 O LEU A 100 -8.589 -4.704 -2.188 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.590 -1.403 -2.704 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.746 -1.581 -1.441 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.397 -2.195 -1.783 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.563 -0.249 -0.729 1.00 0.00 C ATOM 0 H LEU A 100 -10.426 -1.459 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.152 -3.041 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.036 -0.775 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.497 -0.860 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.271 -2.260 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.810 -2.314 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.548 -3.169 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.865 -1.542 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.960 -0.395 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.060 0.453 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.538 0.151 -0.449 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.528 -3.628 -1.805 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.993 -4.593 -0.813 1.00 0.00 C ATOM 1663 C LEU A 101 -11.038 -5.999 -1.403 1.00 0.00 C ATOM 1664 O LEU A 101 -10.532 -6.950 -0.806 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.379 -4.198 -0.301 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.411 -3.423 1.017 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -11.789 -4.245 2.134 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.694 -2.090 0.869 1.00 0.00 C ATOM 0 H LEU A 101 -11.174 -2.859 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.290 -4.590 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.869 -3.595 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.972 -5.105 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.451 -3.226 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.821 -3.678 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.347 -5.174 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.753 -4.474 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.727 -1.552 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.656 -2.265 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.185 -1.496 0.098 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.645 -6.125 -2.577 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.753 -7.414 -3.250 1.00 0.00 C ATOM 1682 C LYS A 102 -10.378 -8.046 -3.441 1.00 0.00 C ATOM 1683 O LYS A 102 -10.171 -9.215 -3.115 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.443 -7.249 -4.606 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.958 -7.320 -4.531 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.611 -6.301 -5.449 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.274 -6.570 -6.908 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.575 -7.976 -7.296 1.00 0.00 N ATOM 0 H LYS A 102 -12.071 -5.349 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.352 -8.074 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.154 -6.291 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.085 -8.024 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.290 -8.322 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.281 -7.146 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.692 -6.327 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.280 -5.299 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.840 -5.889 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.218 -6.364 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.594 -8.053 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.840 -8.606 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.501 -8.252 -6.911 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.442 -7.265 -3.969 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.085 -7.747 -4.200 1.00 0.00 C ATOM 1704 C ASP A 103 -7.450 -8.227 -2.899 1.00 0.00 C ATOM 1705 O ASP A 103 -6.827 -9.289 -2.855 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.228 -6.644 -4.824 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.251 -6.683 -6.340 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.040 -7.470 -6.903 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.479 -5.925 -6.964 1.00 0.00 O ATOM 0 H ASP A 103 -9.598 -6.296 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.138 -8.589 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.586 -5.673 -4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.200 -6.745 -4.476 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.610 -7.438 -1.842 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.051 -7.781 -0.540 1.00 0.00 C ATOM 1716 C LEU A 104 -7.554 -9.143 -0.072 1.00 0.00 C ATOM 1717 O LEU A 104 -6.773 -9.990 0.363 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.412 -6.710 0.491 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.415 -5.560 0.641 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -7.053 -4.396 1.382 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -5.162 -6.031 1.364 1.00 0.00 C ATOM 0 H LEU A 104 -8.122 -6.556 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.967 -7.830 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.382 -6.291 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.528 -7.193 1.461 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.130 -5.219 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.330 -3.587 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.921 -4.042 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.367 -4.724 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.464 -5.200 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.430 -6.398 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.693 -6.833 0.794 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.863 -9.348 -0.168 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.473 -10.609 0.241 1.00 0.00 C ATOM 1735 C LYS A 105 -8.903 -11.775 -0.562 1.00 0.00 C ATOM 1736 O LYS A 105 -8.515 -12.797 0.002 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.991 -10.547 0.062 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.743 -10.251 1.347 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.165 -8.793 1.425 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.398 -8.524 0.578 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.193 -7.379 1.102 1.00 0.00 N ATOM 0 H LYS A 105 -9.523 -8.657 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.244 -10.769 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.231 -9.780 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.340 -11.497 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.624 -10.889 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.113 -10.494 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.370 -8.527 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.346 -8.157 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.095 -8.316 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.022 -9.417 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.101 -7.727 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.666 -6.911 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.368 -6.698 0.336 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.855 -11.612 -1.880 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.332 -12.651 -2.759 1.00 0.00 C ATOM 1757 C GLU A 106 -6.922 -13.059 -2.339 1.00 0.00 C ATOM 1758 O GLU A 106 -6.606 -14.247 -2.255 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.322 -12.166 -4.211 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.365 -13.293 -5.229 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.992 -12.869 -6.543 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.237 -12.823 -6.619 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.235 -12.582 -7.495 1.00 0.00 O ATOM 0 H GLU A 106 -9.172 -10.771 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.984 -13.521 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.177 -11.509 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.426 -11.569 -4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.352 -13.650 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.928 -14.130 -4.815 1.00 0.00 H new ATOM 1770 N THR A 107 -6.078 -12.067 -2.077 1.00 0.00 N ATOM 1771 CA THR A 107 -4.702 -12.322 -1.667 1.00 0.00 C ATOM 1772 C THR A 107 -4.654 -13.086 -0.349 1.00 0.00 C ATOM 1773 O THR A 107 -3.929 -14.072 -0.220 1.00 0.00 O ATOM 1774 CB THR A 107 -3.909 -11.009 -1.516 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.809 -9.912 -1.329 1.00 0.00 O ATOM 1776 CG2 THR A 107 -3.041 -10.758 -2.740 1.00 0.00 C ATOM 0 H THR A 107 -6.323 -11.079 -2.141 1.00 0.00 H new ATOM 0 HA THR A 107 -4.245 -12.926 -2.451 1.00 0.00 H new ATOM 0 HB THR A 107 -3.262 -11.099 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.281 -10.018 -0.477 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.491 -9.826 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.337 -11.581 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.673 -10.687 -3.626 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.430 -12.625 0.627 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.474 -13.267 1.935 1.00 0.00 C ATOM 1786 C GLU A 108 -5.811 -14.749 1.802 1.00 0.00 C ATOM 1787 O GLU A 108 -5.192 -15.596 2.445 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.503 -12.577 2.833 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.884 -11.790 3.975 1.00 0.00 C ATOM 1790 CD GLU A 108 -4.887 -12.607 4.773 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -4.952 -13.853 4.705 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -4.042 -12.003 5.467 1.00 0.00 O ATOM 0 H GLU A 108 -6.036 -11.810 0.536 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.487 -13.176 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.109 -11.904 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.176 -13.329 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.387 -10.907 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.674 -11.438 4.639 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.797 -15.053 0.965 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.218 -16.432 0.749 1.00 0.00 C ATOM 1801 C GLN A 109 -6.119 -17.235 0.060 1.00 0.00 C ATOM 1802 O GLN A 109 -5.844 -18.377 0.429 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.497 -16.473 -0.088 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.480 -17.546 0.353 1.00 0.00 C ATOM 1805 CD GLN A 109 -9.387 -18.804 -0.488 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.042 -18.922 -1.523 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -8.570 -19.752 -0.045 1.00 0.00 N ATOM 0 H GLN A 109 -7.319 -14.363 0.425 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.416 -16.881 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.986 -15.500 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.233 -16.641 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.294 -17.797 1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.494 -17.150 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.046 -19.611 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.466 -20.621 -0.568 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.494 -16.632 -0.945 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.424 -17.288 -1.687 1.00 0.00 C ATOM 1818 C LYS A 110 -3.246 -17.610 -0.772 1.00 0.00 C ATOM 1819 O LYS A 110 -2.767 -18.744 -0.738 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.958 -16.401 -2.843 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.546 -16.793 -4.187 1.00 0.00 C ATOM 1822 CD LYS A 110 -6.038 -16.515 -4.245 1.00 0.00 C ATOM 1823 CE LYS A 110 -6.694 -17.233 -5.416 1.00 0.00 C ATOM 1824 NZ LYS A 110 -7.096 -18.621 -5.060 1.00 0.00 N ATOM 0 H LYS A 110 -5.711 -15.688 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.815 -18.222 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.226 -15.367 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.871 -16.442 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.041 -16.242 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.365 -17.852 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.505 -16.834 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.206 -15.442 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.571 -16.673 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.003 -17.260 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.539 -19.076 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.256 -19.163 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.775 -18.595 -4.273 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.786 -16.608 -0.031 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.666 -16.786 0.885 1.00 0.00 C ATOM 1840 C VAL A 111 -2.031 -17.738 2.019 1.00 0.00 C ATOM 1841 O VAL A 111 -1.175 -18.446 2.549 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.213 -15.441 1.485 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -2.265 -14.900 2.441 1.00 0.00 C ATOM 1844 CG2 VAL A 111 0.128 -15.597 2.186 1.00 0.00 C ATOM 0 H VAL A 111 -3.172 -15.664 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.847 -17.212 0.306 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.092 -14.723 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.927 -13.950 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.202 -14.749 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.422 -15.613 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.434 -14.638 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.036 -16.330 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.876 -15.935 1.469 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.307 -17.750 2.387 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.788 -18.616 3.458 1.00 0.00 C ATOM 1856 C LYS A 112 -3.937 -20.053 2.968 1.00 0.00 C ATOM 1857 O LYS A 112 -3.811 -20.999 3.745 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.128 -18.105 3.992 1.00 0.00 C ATOM 1859 CG LYS A 112 -4.989 -17.014 5.038 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.315 -16.317 5.296 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.371 -17.295 5.787 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.912 -16.907 7.119 1.00 0.00 N ATOM 0 H LYS A 112 -4.028 -17.169 1.959 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.054 -18.600 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.720 -17.725 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.681 -18.940 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.616 -17.445 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.251 -16.283 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.175 -15.529 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.660 -15.837 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.186 -17.342 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.940 -18.294 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.629 -17.599 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.139 -16.886 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.346 -15.964 7.056 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.204 -20.209 1.676 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.369 -21.530 1.083 1.00 0.00 C ATOM 1878 C ASP A 113 -3.019 -22.226 0.923 1.00 0.00 C ATOM 1879 O ASP A 113 -2.880 -23.409 1.231 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.064 -21.421 -0.274 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.465 -22.774 -0.830 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.302 -23.782 -0.112 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -5.941 -22.824 -1.984 1.00 0.00 O ATOM 0 H ASP A 113 -4.311 -19.436 1.019 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.989 -22.127 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.951 -20.795 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.399 -20.924 -0.980 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.031 -21.482 0.437 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.695 -22.026 0.236 1.00 0.00 C ATOM 1890 C ILE A 114 -0.139 -22.614 1.528 1.00 0.00 C ATOM 1891 O ILE A 114 0.086 -21.894 2.501 1.00 0.00 O ATOM 1892 CB ILE A 114 0.278 -20.952 -0.286 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.219 -20.878 -1.813 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.696 -21.250 0.180 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.538 -19.674 -2.330 1.00 0.00 C ATOM 0 H ILE A 114 -2.131 -20.501 0.175 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.786 -22.816 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.021 -19.985 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.235 -20.855 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.251 -21.784 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.372 -20.482 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.727 -21.257 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.006 -22.224 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.540 -19.686 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.565 -19.706 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.056 -18.762 -1.978 1.00 0.00 H new ATOM 1907 N GLN A 115 0.080 -23.924 1.530 1.00 0.00 N ATOM 1908 CA GLN A 115 0.610 -24.608 2.704 1.00 0.00 C ATOM 1909 C GLN A 115 2.128 -24.474 2.773 1.00 0.00 C ATOM 1910 O GLN A 115 2.823 -24.633 1.768 1.00 0.00 O ATOM 1911 CB GLN A 115 0.218 -26.087 2.680 1.00 0.00 C ATOM 1912 CG GLN A 115 0.830 -26.860 1.523 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.133 -27.862 0.918 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.025 -27.499 0.150 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.042 -29.133 1.260 1.00 0.00 N ATOM 0 H GLN A 115 -0.101 -24.533 0.732 1.00 0.00 H new ATOM 0 HA GLN A 115 0.181 -24.140 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.524 -26.551 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.868 -26.166 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.151 -26.159 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.721 -27.382 1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.794 -29.390 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.575 -29.852 0.883 1.00 0.00 H new ATOM 1924 N THR A 116 2.638 -24.180 3.965 1.00 0.00 N ATOM 1925 CA THR A 116 4.073 -24.024 4.165 1.00 0.00 C ATOM 1926 C THR A 116 4.522 -24.675 5.468 1.00 0.00 C ATOM 1927 O THR A 116 3.699 -24.997 6.326 1.00 0.00 O ATOM 1928 CB THR A 116 4.479 -22.538 4.181 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.804 -21.857 5.244 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.148 -21.871 2.854 1.00 0.00 C ATOM 0 H THR A 116 2.078 -24.045 4.807 1.00 0.00 H new ATOM 0 HA THR A 116 4.564 -24.519 3.327 1.00 0.00 H new ATOM 0 HB THR A 116 5.556 -22.481 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.246 -22.060 6.095 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.444 -20.823 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.687 -22.373 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.076 -21.939 2.670 1.00 0.00 H new ATOM 1938 N GLN A 117 5.829 -24.867 5.609 1.00 0.00 N ATOM 1939 CA GLN A 117 6.385 -25.480 6.809 1.00 0.00 C ATOM 1940 C GLN A 117 6.469 -24.470 7.949 1.00 0.00 C ATOM 1941 O GLN A 117 6.441 -24.838 9.123 1.00 0.00 O ATOM 1942 CB GLN A 117 7.773 -26.054 6.518 1.00 0.00 C ATOM 1943 CG GLN A 117 7.745 -27.495 6.035 1.00 0.00 C ATOM 1944 CD GLN A 117 7.667 -28.492 7.174 1.00 0.00 C ATOM 1945 OE1 GLN A 117 8.064 -28.195 8.302 1.00 0.00 O ATOM 1946 NE2 GLN A 117 7.152 -29.681 6.886 1.00 0.00 N ATOM 0 H GLN A 117 6.522 -24.607 4.908 1.00 0.00 H new ATOM 0 HA GLN A 117 5.721 -26.289 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.262 -25.436 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.379 -25.994 7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.889 -27.636 5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.639 -27.693 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.836 -29.884 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.073 -30.392 7.613 1.00 0.00 H new