USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=14 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= -2.55 X(o=-2.1,f=-1.9!) USER MOD Set 1.2: A 97 SER OG : rot -160:sc= 0.475 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -116:sc= -0.154 (180deg=-0.223) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.377 K(o=-0.53,f=-3.6) USER MOD Single : A 21 GLN : amide:sc= -1.6 X(o=-1.6,f=-2.1) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.04 X(o=-3,f=-2.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0305 X(o=-0.031,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -2.6 K(o=-2.6,f=-4.3!) USER MOD Single : A 46 ASN : amide:sc=-0.00761 K(o=-0.0076,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.097) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0748) USER MOD Single : A 52 GLN : amide:sc= -0.931 K(o=-0.93,f=-1.8) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.946 USER MOD Single : A 65 MET CE :methyl -160:sc= -1.84 (180deg=-3.12!) USER MOD Single : A 83 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.503 K(o=-0.5,f=-2.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.829 USER MOD Single : A 95 THR OG1 : rot 67:sc= 1.3 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0604) USER MOD Single : A 107 THR OG1 : rot 77:sc= 1.19 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+ -163:sc= -0.105 (180deg=-0.552) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 116 THR OG1 : rot -129:sc= -0.563 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -13.611 13.795 4.600 1.00 0.00 N ATOM 296 CA LEU A 18 -14.279 12.610 4.072 1.00 0.00 C ATOM 297 C LEU A 18 -13.556 12.083 2.837 1.00 0.00 C ATOM 298 O LEU A 18 -12.867 11.064 2.896 1.00 0.00 O ATOM 299 CB LEU A 18 -15.734 12.931 3.729 1.00 0.00 C ATOM 300 CG LEU A 18 -16.628 13.337 4.901 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.003 13.753 4.405 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.741 12.198 5.904 1.00 0.00 C ATOM 0 HA LEU A 18 -14.256 11.837 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.744 13.737 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.174 12.057 3.249 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.173 14.191 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.625 14.038 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.904 14.600 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.468 12.919 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.381 12.504 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.173 11.324 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.750 11.948 6.284 1.00 0.00 H new ATOM 314 N ILE A 19 -13.717 12.784 1.720 1.00 0.00 N ATOM 315 CA ILE A 19 -13.077 12.388 0.471 1.00 0.00 C ATOM 316 C ILE A 19 -11.565 12.286 0.636 1.00 0.00 C ATOM 317 O ILE A 19 -10.926 11.406 0.060 1.00 0.00 O ATOM 318 CB ILE A 19 -13.393 13.381 -0.663 1.00 0.00 C ATOM 319 CG1 ILE A 19 -14.895 13.388 -0.961 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.602 13.027 -1.913 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.411 12.069 -1.491 1.00 0.00 C ATOM 0 H ILE A 19 -14.285 13.629 1.654 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.478 11.409 0.208 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.100 14.381 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.437 13.641 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.110 14.171 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.836 13.738 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.535 13.068 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.867 12.021 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.482 12.147 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.896 11.823 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.228 11.285 -0.756 1.00 0.00 H new ATOM 333 N GLU A 20 -11.000 13.191 1.429 1.00 0.00 N ATOM 334 CA GLU A 20 -9.562 13.203 1.671 1.00 0.00 C ATOM 335 C GLU A 20 -9.094 11.865 2.237 1.00 0.00 C ATOM 336 O GLU A 20 -8.173 11.244 1.707 1.00 0.00 O ATOM 337 CB GLU A 20 -9.193 14.333 2.633 1.00 0.00 C ATOM 338 CG GLU A 20 -9.189 15.708 1.985 1.00 0.00 C ATOM 339 CD GLU A 20 -7.930 15.972 1.183 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.029 15.106 1.190 1.00 0.00 O ATOM 341 OE2 GLU A 20 -7.846 17.043 0.548 1.00 0.00 O ATOM 0 H GLU A 20 -11.516 13.925 1.915 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.061 13.370 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.897 14.335 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.206 14.135 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.057 15.800 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.289 16.470 2.758 1.00 0.00 H new ATOM 348 N GLN A 21 -9.737 11.429 3.316 1.00 0.00 N ATOM 349 CA GLN A 21 -9.387 10.166 3.954 1.00 0.00 C ATOM 350 C GLN A 21 -9.656 8.991 3.021 1.00 0.00 C ATOM 351 O GLN A 21 -8.880 8.037 2.967 1.00 0.00 O ATOM 352 CB GLN A 21 -10.175 9.991 5.254 1.00 0.00 C ATOM 353 CG GLN A 21 -9.439 9.180 6.307 1.00 0.00 C ATOM 354 CD GLN A 21 -8.922 7.859 5.771 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.772 7.757 5.346 1.00 0.00 O ATOM 356 NE2 GLN A 21 -9.772 6.839 5.789 1.00 0.00 N ATOM 0 H GLN A 21 -10.502 11.932 3.766 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.322 10.187 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.409 10.974 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.125 9.505 5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.603 9.764 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.107 8.990 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.717 6.969 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.480 5.926 5.441 1.00 0.00 H new ATOM 365 N ALA A 22 -10.761 9.066 2.287 1.00 0.00 N ATOM 366 CA ALA A 22 -11.132 8.009 1.354 1.00 0.00 C ATOM 367 C ALA A 22 -10.081 7.847 0.261 1.00 0.00 C ATOM 368 O ALA A 22 -9.627 6.738 -0.016 1.00 0.00 O ATOM 369 CB ALA A 22 -12.494 8.301 0.739 1.00 0.00 C ATOM 0 H ALA A 22 -11.415 9.848 2.320 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.189 7.073 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.758 7.504 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.244 8.359 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.456 9.250 0.204 1.00 0.00 H new ATOM 375 N ASN A 23 -9.697 8.960 -0.354 1.00 0.00 N ATOM 376 CA ASN A 23 -8.699 8.940 -1.418 1.00 0.00 C ATOM 377 C ASN A 23 -7.358 8.433 -0.895 1.00 0.00 C ATOM 378 O ASN A 23 -6.695 7.621 -1.542 1.00 0.00 O ATOM 379 CB ASN A 23 -8.530 10.340 -2.013 1.00 0.00 C ATOM 380 CG ASN A 23 -9.246 10.493 -3.340 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.620 10.492 -4.401 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.567 10.628 -3.289 1.00 0.00 N ATOM 0 H ASN A 23 -10.061 9.887 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.047 8.261 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.912 11.080 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.469 10.548 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.102 10.736 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.046 10.623 -2.388 1.00 0.00 H new ATOM 389 N HIS A 24 -6.965 8.916 0.279 1.00 0.00 N ATOM 390 CA HIS A 24 -5.704 8.510 0.889 1.00 0.00 C ATOM 391 C HIS A 24 -5.729 7.029 1.255 1.00 0.00 C ATOM 392 O HIS A 24 -4.716 6.337 1.151 1.00 0.00 O ATOM 393 CB HIS A 24 -5.423 9.350 2.135 1.00 0.00 C ATOM 394 CG HIS A 24 -4.004 9.266 2.606 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.588 9.738 3.834 1.00 0.00 N ATOM 396 CD2 HIS A 24 -2.901 8.758 2.008 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.292 9.526 3.970 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.850 8.932 2.875 1.00 0.00 N ATOM 0 H HIS A 24 -7.501 9.589 0.827 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.908 8.673 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.666 10.391 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.084 9.025 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.856 8.301 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.695 9.792 4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.885 8.649 2.702 1.00 0.00 H new ATOM 406 N ALA A 25 -6.892 6.549 1.683 1.00 0.00 N ATOM 407 CA ALA A 25 -7.049 5.151 2.062 1.00 0.00 C ATOM 408 C ALA A 25 -6.874 4.232 0.857 1.00 0.00 C ATOM 409 O ALA A 25 -6.104 3.273 0.903 1.00 0.00 O ATOM 410 CB ALA A 25 -8.409 4.928 2.705 1.00 0.00 C ATOM 0 H ALA A 25 -7.740 7.109 1.776 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.272 4.908 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.512 3.879 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.497 5.550 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.194 5.195 1.998 1.00 0.00 H new ATOM 416 N ILE A 26 -7.594 4.532 -0.219 1.00 0.00 N ATOM 417 CA ILE A 26 -7.517 3.733 -1.436 1.00 0.00 C ATOM 418 C ILE A 26 -6.135 3.833 -2.072 1.00 0.00 C ATOM 419 O ILE A 26 -5.642 2.870 -2.660 1.00 0.00 O ATOM 420 CB ILE A 26 -8.576 4.171 -2.465 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.393 5.647 -2.821 1.00 0.00 C ATOM 422 CG2 ILE A 26 -9.975 3.921 -1.923 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.416 6.162 -3.809 1.00 0.00 C ATOM 0 H ILE A 26 -8.237 5.322 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.708 2.699 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.447 3.580 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.449 6.242 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.395 5.791 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.713 4.235 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.100 2.858 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.116 4.490 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.225 7.215 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.346 5.592 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.416 6.050 -3.389 1.00 0.00 H new ATOM 435 N GLU A 27 -5.515 5.002 -1.949 1.00 0.00 N ATOM 436 CA GLU A 27 -4.189 5.227 -2.513 1.00 0.00 C ATOM 437 C GLU A 27 -3.151 4.342 -1.828 1.00 0.00 C ATOM 438 O GLU A 27 -2.437 3.581 -2.483 1.00 0.00 O ATOM 439 CB GLU A 27 -3.792 6.697 -2.373 1.00 0.00 C ATOM 440 CG GLU A 27 -4.259 7.566 -3.528 1.00 0.00 C ATOM 441 CD GLU A 27 -3.365 7.446 -4.747 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.618 6.554 -5.583 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.411 8.245 -4.863 1.00 0.00 O ATOM 0 H GLU A 27 -5.909 5.808 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.224 4.968 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.205 7.089 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.707 6.766 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.277 7.286 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.290 8.607 -3.206 1.00 0.00 H new ATOM 450 N LYS A 28 -3.072 4.446 -0.506 1.00 0.00 N ATOM 451 CA LYS A 28 -2.123 3.656 0.270 1.00 0.00 C ATOM 452 C LYS A 28 -2.377 2.164 0.084 1.00 0.00 C ATOM 453 O LYS A 28 -1.453 1.394 -0.177 1.00 0.00 O ATOM 454 CB LYS A 28 -2.218 4.020 1.752 1.00 0.00 C ATOM 455 CG LYS A 28 -1.295 3.200 2.640 1.00 0.00 C ATOM 456 CD LYS A 28 -1.580 3.442 4.113 1.00 0.00 C ATOM 457 CE LYS A 28 -1.119 4.824 4.550 1.00 0.00 C ATOM 458 NZ LYS A 28 0.306 4.822 4.985 1.00 0.00 N ATOM 0 H LYS A 28 -3.655 5.071 0.051 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.119 3.883 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.981 5.077 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.246 3.883 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.417 2.141 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.258 3.455 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.649 3.338 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.076 2.683 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.246 5.527 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.748 5.175 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.582 5.782 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.423 4.171 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.909 4.512 4.197 1.00 0.00 H new ATOM 472 N GLY A 29 -3.637 1.761 0.218 1.00 0.00 N ATOM 473 CA GLY A 29 -3.990 0.362 0.059 1.00 0.00 C ATOM 474 C GLY A 29 -3.692 -0.157 -1.334 1.00 0.00 C ATOM 475 O GLY A 29 -3.327 -1.320 -1.504 1.00 0.00 O ATOM 0 H GLY A 29 -4.420 2.378 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.442 -0.233 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.051 0.232 0.273 1.00 0.00 H new ATOM 479 N GLU A 30 -3.850 0.707 -2.331 1.00 0.00 N ATOM 480 CA GLU A 30 -3.598 0.327 -3.716 1.00 0.00 C ATOM 481 C GLU A 30 -2.107 0.116 -3.960 1.00 0.00 C ATOM 482 O GLU A 30 -1.705 -0.829 -4.640 1.00 0.00 O ATOM 483 CB GLU A 30 -4.135 1.398 -4.669 1.00 0.00 C ATOM 484 CG GLU A 30 -3.851 1.110 -6.132 1.00 0.00 C ATOM 485 CD GLU A 30 -4.642 2.003 -7.068 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.815 2.295 -6.757 1.00 0.00 O ATOM 487 OE2 GLU A 30 -4.088 2.408 -8.112 1.00 0.00 O ATOM 0 H GLU A 30 -4.151 1.674 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.117 -0.612 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.212 1.490 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.696 2.360 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.786 1.242 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.087 0.067 -6.345 1.00 0.00 H new ATOM 494 N HIS A 31 -1.290 1.004 -3.401 1.00 0.00 N ATOM 495 CA HIS A 31 0.157 0.916 -3.557 1.00 0.00 C ATOM 496 C HIS A 31 0.703 -0.330 -2.865 1.00 0.00 C ATOM 497 O HIS A 31 1.394 -1.139 -3.482 1.00 0.00 O ATOM 498 CB HIS A 31 0.829 2.166 -2.988 1.00 0.00 C ATOM 499 CG HIS A 31 1.006 3.262 -3.993 1.00 0.00 C ATOM 500 ND1 HIS A 31 0.630 4.568 -3.757 1.00 0.00 N ATOM 501 CD2 HIS A 31 1.523 3.241 -5.243 1.00 0.00 C ATOM 502 CE1 HIS A 31 0.907 5.302 -4.819 1.00 0.00 C ATOM 503 NE2 HIS A 31 1.450 4.521 -5.735 1.00 0.00 N ATOM 0 H HIS A 31 -1.606 1.792 -2.836 1.00 0.00 H new ATOM 0 HA HIS A 31 0.380 0.846 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.234 2.541 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.804 1.893 -2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.919 2.378 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.721 6.361 -4.921 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.764 4.820 -6.658 1.00 0.00 H new ATOM 511 N GLN A 32 0.388 -0.474 -1.582 1.00 0.00 N ATOM 512 CA GLN A 32 0.849 -1.620 -0.807 1.00 0.00 C ATOM 513 C GLN A 32 0.366 -2.927 -1.428 1.00 0.00 C ATOM 514 O GLN A 32 1.121 -3.894 -1.531 1.00 0.00 O ATOM 515 CB GLN A 32 0.360 -1.516 0.638 1.00 0.00 C ATOM 516 CG GLN A 32 -1.152 -1.423 0.762 1.00 0.00 C ATOM 517 CD GLN A 32 -1.805 -2.777 0.965 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.745 -3.138 0.256 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.309 -3.534 1.935 1.00 0.00 N ATOM 0 H GLN A 32 -0.184 0.188 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 32 1.939 -1.617 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.709 -2.386 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.809 -0.638 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.405 -0.773 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.559 -0.959 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.529 -3.195 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.707 -4.455 2.117 1.00 0.00 H new ATOM 528 N LEU A 33 -0.896 -2.948 -1.840 1.00 0.00 N ATOM 529 CA LEU A 33 -1.481 -4.137 -2.451 1.00 0.00 C ATOM 530 C LEU A 33 -0.735 -4.518 -3.726 1.00 0.00 C ATOM 531 O LEU A 33 -0.329 -5.667 -3.900 1.00 0.00 O ATOM 532 CB LEU A 33 -2.960 -3.898 -2.764 1.00 0.00 C ATOM 533 CG LEU A 33 -3.688 -5.037 -3.479 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.513 -4.922 -4.985 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.183 -6.385 -2.984 1.00 0.00 C ATOM 0 H LEU A 33 -1.534 -2.156 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.394 -4.960 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.480 -3.692 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.040 -3.001 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.751 -4.962 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.038 -5.741 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.923 -3.972 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.453 -4.970 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.712 -7.185 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.114 -6.468 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.361 -6.469 -1.912 1.00 0.00 H new ATOM 547 N LEU A 34 -0.556 -3.545 -4.613 1.00 0.00 N ATOM 548 CA LEU A 34 0.145 -3.777 -5.871 1.00 0.00 C ATOM 549 C LEU A 34 1.527 -4.375 -5.624 1.00 0.00 C ATOM 550 O LEU A 34 1.950 -5.297 -6.321 1.00 0.00 O ATOM 551 CB LEU A 34 0.275 -2.469 -6.654 1.00 0.00 C ATOM 552 CG LEU A 34 -0.981 -1.999 -7.387 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.826 -0.554 -7.838 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.276 -2.901 -8.576 1.00 0.00 C ATOM 0 H LEU A 34 -0.886 -2.589 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.438 -4.488 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.583 -1.684 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.076 -2.584 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.823 -2.056 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.730 -0.236 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.665 0.083 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.028 -0.472 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.174 -2.550 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.434 -2.878 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.432 -3.922 -8.228 1.00 0.00 H new ATOM 566 N TYR A 35 2.224 -3.845 -4.625 1.00 0.00 N ATOM 567 CA TYR A 35 3.557 -4.325 -4.285 1.00 0.00 C ATOM 568 C TYR A 35 3.491 -5.700 -3.628 1.00 0.00 C ATOM 569 O TYR A 35 4.387 -6.528 -3.799 1.00 0.00 O ATOM 570 CB TYR A 35 4.256 -3.335 -3.351 1.00 0.00 C ATOM 571 CG TYR A 35 5.539 -3.867 -2.754 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.531 -4.576 -1.559 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.760 -3.663 -3.385 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.701 -5.064 -1.010 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.934 -4.149 -2.844 1.00 0.00 C ATOM 576 CZ TYR A 35 7.900 -4.848 -1.656 1.00 0.00 C ATOM 577 OH TYR A 35 9.067 -5.334 -1.113 1.00 0.00 O ATOM 0 H TYR A 35 1.887 -3.083 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 35 4.130 -4.411 -5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.474 -2.420 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.574 -3.066 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.594 -4.749 -1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.791 -3.115 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.677 -5.612 -0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.874 -3.982 -3.349 1.00 0.00 H new ATOM 0 HH TYR A 35 9.821 -5.097 -1.692 1.00 0.00 H new ATOM 587 N LEU A 36 2.422 -5.937 -2.875 1.00 0.00 N ATOM 588 CA LEU A 36 2.235 -7.212 -2.191 1.00 0.00 C ATOM 589 C LEU A 36 1.962 -8.331 -3.191 1.00 0.00 C ATOM 590 O LEU A 36 2.308 -9.487 -2.952 1.00 0.00 O ATOM 591 CB LEU A 36 1.082 -7.113 -1.191 1.00 0.00 C ATOM 592 CG LEU A 36 1.241 -7.919 0.099 1.00 0.00 C ATOM 593 CD1 LEU A 36 1.388 -9.400 -0.212 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.436 -7.418 0.896 1.00 0.00 C ATOM 0 H LEU A 36 1.672 -5.263 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 36 3.154 -7.446 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.946 -6.064 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.168 -7.437 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 36 0.344 -7.783 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.500 -9.958 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.502 -9.750 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.268 -9.555 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.534 -8.003 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.342 -7.524 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.289 -6.368 1.150 1.00 0.00 H new ATOM 606 N GLN A 37 1.340 -7.978 -4.312 1.00 0.00 N ATOM 607 CA GLN A 37 1.022 -8.952 -5.348 1.00 0.00 C ATOM 608 C GLN A 37 2.253 -9.771 -5.722 1.00 0.00 C ATOM 609 O GLN A 37 2.161 -10.975 -5.963 1.00 0.00 O ATOM 610 CB GLN A 37 0.468 -8.248 -6.588 1.00 0.00 C ATOM 611 CG GLN A 37 -0.663 -9.006 -7.264 1.00 0.00 C ATOM 612 CD GLN A 37 -1.608 -8.091 -8.020 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.698 -8.151 -9.246 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.317 -7.239 -7.289 1.00 0.00 N ATOM 0 H GLN A 37 1.047 -7.025 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 37 0.264 -9.628 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.112 -7.258 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.276 -8.103 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.243 -9.739 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.224 -9.561 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.209 -7.225 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.969 -6.599 -7.742 1.00 0.00 H new ATOM 623 N HIS A 38 3.406 -9.111 -5.769 1.00 0.00 N ATOM 624 CA HIS A 38 4.656 -9.778 -6.112 1.00 0.00 C ATOM 625 C HIS A 38 5.011 -10.837 -5.073 1.00 0.00 C ATOM 626 O HIS A 38 5.236 -11.999 -5.410 1.00 0.00 O ATOM 627 CB HIS A 38 5.790 -8.758 -6.224 1.00 0.00 C ATOM 628 CG HIS A 38 6.829 -9.127 -7.238 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.684 -8.886 -8.588 1.00 0.00 N ATOM 630 CD2 HIS A 38 8.037 -9.720 -7.091 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.756 -9.318 -9.228 1.00 0.00 C ATOM 632 NE2 HIS A 38 8.593 -9.828 -8.342 1.00 0.00 N ATOM 0 H HIS A 38 3.500 -8.114 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 38 4.523 -10.270 -7.076 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.370 -7.786 -6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.267 -8.649 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.481 -10.047 -6.162 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.920 -9.264 -10.294 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.504 -10.236 -8.553 1.00 0.00 H new ATOM 640 N GLN A 39 5.058 -10.427 -3.810 1.00 0.00 N ATOM 641 CA GLN A 39 5.387 -11.340 -2.722 1.00 0.00 C ATOM 642 C GLN A 39 4.490 -12.573 -2.757 1.00 0.00 C ATOM 643 O GLN A 39 4.952 -13.697 -2.550 1.00 0.00 O ATOM 644 CB GLN A 39 5.249 -10.632 -1.373 1.00 0.00 C ATOM 645 CG GLN A 39 6.118 -9.392 -1.245 1.00 0.00 C ATOM 646 CD GLN A 39 7.500 -9.702 -0.706 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.445 -9.909 -1.469 1.00 0.00 O ATOM 648 NE2 GLN A 39 7.628 -9.734 0.616 1.00 0.00 N ATOM 0 H GLN A 39 4.872 -9.468 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 39 6.421 -11.661 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.206 -10.352 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.508 -11.331 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.211 -8.916 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.627 -8.675 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.819 -9.557 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.535 -9.936 1.036 1.00 0.00 H new ATOM 657 N LEU A 40 3.206 -12.357 -3.019 1.00 0.00 N ATOM 658 CA LEU A 40 2.243 -13.451 -3.082 1.00 0.00 C ATOM 659 C LEU A 40 2.562 -14.392 -4.238 1.00 0.00 C ATOM 660 O LEU A 40 2.583 -15.612 -4.072 1.00 0.00 O ATOM 661 CB LEU A 40 0.825 -12.899 -3.233 1.00 0.00 C ATOM 662 CG LEU A 40 -0.218 -13.873 -3.785 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.570 -13.637 -3.127 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.329 -13.736 -5.297 1.00 0.00 C ATOM 0 H LEU A 40 2.807 -11.434 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 40 2.309 -14.015 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.487 -12.549 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.863 -12.029 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 40 0.104 -14.888 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.299 -14.339 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.482 -13.786 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.899 -12.617 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.075 -14.436 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.627 -12.718 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.636 -13.955 -5.754 1.00 0.00 H new ATOM 676 N ASP A 41 2.811 -13.818 -5.410 1.00 0.00 N ATOM 677 CA ASP A 41 3.132 -14.605 -6.595 1.00 0.00 C ATOM 678 C ASP A 41 4.308 -15.538 -6.324 1.00 0.00 C ATOM 679 O ASP A 41 4.265 -16.720 -6.666 1.00 0.00 O ATOM 680 CB ASP A 41 3.456 -13.685 -7.773 1.00 0.00 C ATOM 681 CG ASP A 41 3.216 -14.353 -9.112 1.00 0.00 C ATOM 682 OD1 ASP A 41 2.150 -14.983 -9.280 1.00 0.00 O ATOM 683 OD2 ASP A 41 4.095 -14.245 -9.994 1.00 0.00 O ATOM 0 H ASP A 41 2.797 -12.810 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 41 2.261 -15.210 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.846 -12.784 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.498 -13.370 -7.709 1.00 0.00 H new ATOM 688 N GLU A 42 5.357 -14.999 -5.711 1.00 0.00 N ATOM 689 CA GLU A 42 6.545 -15.784 -5.397 1.00 0.00 C ATOM 690 C GLU A 42 6.287 -16.712 -4.213 1.00 0.00 C ATOM 691 O GLU A 42 6.890 -17.781 -4.104 1.00 0.00 O ATOM 692 CB GLU A 42 7.726 -14.861 -5.088 1.00 0.00 C ATOM 693 CG GLU A 42 7.515 -13.993 -3.860 1.00 0.00 C ATOM 694 CD GLU A 42 8.723 -13.135 -3.537 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.996 -12.183 -4.297 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.397 -13.419 -2.524 1.00 0.00 O ATOM 0 H GLU A 42 5.408 -14.022 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 42 6.787 -16.393 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.621 -15.466 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.909 -14.219 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.649 -13.350 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.287 -14.629 -3.005 1.00 0.00 H new ATOM 703 N LEU A 43 5.387 -16.296 -3.329 1.00 0.00 N ATOM 704 CA LEU A 43 5.049 -17.088 -2.152 1.00 0.00 C ATOM 705 C LEU A 43 4.262 -18.335 -2.542 1.00 0.00 C ATOM 706 O LEU A 43 4.353 -19.370 -1.883 1.00 0.00 O ATOM 707 CB LEU A 43 4.237 -16.248 -1.163 1.00 0.00 C ATOM 708 CG LEU A 43 3.881 -16.927 0.160 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.666 -17.825 -0.012 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.065 -17.724 0.687 1.00 0.00 C ATOM 0 H LEU A 43 4.878 -15.415 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 43 5.979 -17.401 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.798 -15.340 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.312 -15.941 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 43 3.637 -16.154 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.427 -18.300 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.816 -17.228 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.883 -18.592 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.793 -18.200 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.341 -18.488 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.910 -17.055 0.849 1.00 0.00 H new ATOM 722 N ASN A 44 3.492 -18.228 -3.620 1.00 0.00 N ATOM 723 CA ASN A 44 2.690 -19.348 -4.100 1.00 0.00 C ATOM 724 C ASN A 44 3.576 -20.538 -4.455 1.00 0.00 C ATOM 725 O ASN A 44 3.222 -21.688 -4.194 1.00 0.00 O ATOM 726 CB ASN A 44 1.867 -18.929 -5.319 1.00 0.00 C ATOM 727 CG ASN A 44 1.009 -17.709 -5.045 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.936 -16.790 -5.862 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.352 -17.695 -3.890 1.00 0.00 N ATOM 0 H ASN A 44 3.406 -17.378 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 44 2.013 -19.647 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.538 -18.719 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.229 -19.758 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.242 -16.901 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.442 -18.478 -3.243 1.00 0.00 H new ATOM 736 N GLU A 45 4.729 -20.253 -5.054 1.00 0.00 N ATOM 737 CA GLU A 45 5.665 -21.301 -5.445 1.00 0.00 C ATOM 738 C GLU A 45 6.652 -21.597 -4.319 1.00 0.00 C ATOM 739 O GLU A 45 6.891 -22.755 -3.978 1.00 0.00 O ATOM 740 CB GLU A 45 6.424 -20.891 -6.708 1.00 0.00 C ATOM 741 CG GLU A 45 7.011 -22.064 -7.475 1.00 0.00 C ATOM 742 CD GLU A 45 7.174 -21.773 -8.953 1.00 0.00 C ATOM 743 OE1 GLU A 45 8.218 -21.204 -9.334 1.00 0.00 O ATOM 744 OE2 GLU A 45 6.257 -22.115 -9.730 1.00 0.00 O ATOM 0 H GLU A 45 5.037 -19.307 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 45 5.093 -22.206 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.750 -20.340 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.229 -20.209 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.981 -22.322 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.367 -22.934 -7.349 1.00 0.00 H new ATOM 751 N ASN A 46 7.221 -20.542 -3.747 1.00 0.00 N ATOM 752 CA ASN A 46 8.183 -20.689 -2.660 1.00 0.00 C ATOM 753 C ASN A 46 7.568 -21.446 -1.487 1.00 0.00 C ATOM 754 O ASN A 46 8.241 -22.229 -0.817 1.00 0.00 O ATOM 755 CB ASN A 46 8.673 -19.315 -2.196 1.00 0.00 C ATOM 756 CG ASN A 46 9.671 -18.702 -3.158 1.00 0.00 C ATOM 757 OD1 ASN A 46 9.933 -19.248 -4.230 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.235 -17.561 -2.778 1.00 0.00 N ATOM 0 H ASN A 46 7.033 -19.576 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 46 9.031 -21.263 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.820 -18.646 -2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.132 -19.409 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.915 -17.102 -3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.988 -17.144 -1.881 1.00 0.00 H new ATOM 765 N LYS A 47 6.284 -21.205 -1.244 1.00 0.00 N ATOM 766 CA LYS A 47 5.575 -21.865 -0.153 1.00 0.00 C ATOM 767 C LYS A 47 6.341 -21.723 1.158 1.00 0.00 C ATOM 768 O LYS A 47 6.356 -22.638 1.981 1.00 0.00 O ATOM 769 CB LYS A 47 5.364 -23.345 -0.475 1.00 0.00 C ATOM 770 CG LYS A 47 4.641 -23.585 -1.789 1.00 0.00 C ATOM 771 CD LYS A 47 3.141 -23.713 -1.584 1.00 0.00 C ATOM 772 CE LYS A 47 2.520 -24.670 -2.590 1.00 0.00 C ATOM 773 NZ LYS A 47 2.859 -26.089 -2.286 1.00 0.00 N ATOM 0 H LYS A 47 5.713 -20.558 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 47 4.604 -21.383 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.333 -23.843 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.795 -23.806 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.847 -22.763 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.024 -24.492 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.940 -24.066 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.675 -22.732 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.437 -24.547 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.868 -24.420 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.217 -26.719 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.841 -26.280 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.756 -26.259 -1.265 1.00 0.00 H new ATOM 787 N SER A 48 6.974 -20.569 1.346 1.00 0.00 N ATOM 788 CA SER A 48 7.745 -20.309 2.557 1.00 0.00 C ATOM 789 C SER A 48 6.821 -20.028 3.738 1.00 0.00 C ATOM 790 O SER A 48 5.989 -19.122 3.690 1.00 0.00 O ATOM 791 CB SER A 48 8.690 -19.125 2.341 1.00 0.00 C ATOM 792 OG SER A 48 9.973 -19.394 2.877 1.00 0.00 O ATOM 0 H SER A 48 6.968 -19.800 0.676 1.00 0.00 H new ATOM 0 HA SER A 48 8.334 -21.198 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.775 -18.913 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.275 -18.234 2.812 1.00 0.00 H new ATOM 0 HG SER A 48 10.559 -18.623 2.725 1.00 0.00 H new ATOM 798 N LYS A 49 6.974 -20.812 4.801 1.00 0.00 N ATOM 799 CA LYS A 49 6.156 -20.650 5.996 1.00 0.00 C ATOM 800 C LYS A 49 6.360 -19.269 6.611 1.00 0.00 C ATOM 801 O LYS A 49 5.416 -18.657 7.112 1.00 0.00 O ATOM 802 CB LYS A 49 6.497 -21.732 7.023 1.00 0.00 C ATOM 803 CG LYS A 49 7.985 -21.862 7.298 1.00 0.00 C ATOM 804 CD LYS A 49 8.479 -23.274 7.031 1.00 0.00 C ATOM 805 CE LYS A 49 9.914 -23.277 6.526 1.00 0.00 C ATOM 806 NZ LYS A 49 10.202 -24.469 5.681 1.00 0.00 N ATOM 0 H LYS A 49 7.658 -21.566 4.858 1.00 0.00 H new ATOM 0 HA LYS A 49 5.110 -20.749 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.981 -21.510 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.116 -22.690 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.535 -21.159 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.189 -21.594 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.413 -23.863 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.833 -23.754 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.098 -22.370 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.598 -23.260 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.149 -24.376 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.167 -25.327 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.492 -24.538 4.924 1.00 0.00 H new ATOM 820 N GLU A 50 7.597 -18.782 6.567 1.00 0.00 N ATOM 821 CA GLU A 50 7.922 -17.472 7.119 1.00 0.00 C ATOM 822 C GLU A 50 7.276 -16.360 6.299 1.00 0.00 C ATOM 823 O GLU A 50 6.577 -15.502 6.837 1.00 0.00 O ATOM 824 CB GLU A 50 9.439 -17.275 7.162 1.00 0.00 C ATOM 825 CG GLU A 50 10.075 -17.732 8.464 1.00 0.00 C ATOM 826 CD GLU A 50 9.832 -16.762 9.604 1.00 0.00 C ATOM 827 OE1 GLU A 50 9.681 -15.553 9.333 1.00 0.00 O ATOM 828 OE2 GLU A 50 9.792 -17.213 10.768 1.00 0.00 O ATOM 0 H GLU A 50 8.389 -19.275 6.155 1.00 0.00 H new ATOM 0 HA GLU A 50 7.528 -17.426 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.892 -17.822 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.664 -16.220 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.678 -18.711 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.148 -17.853 8.317 1.00 0.00 H new ATOM 835 N LEU A 51 7.515 -16.382 4.992 1.00 0.00 N ATOM 836 CA LEU A 51 6.958 -15.375 4.095 1.00 0.00 C ATOM 837 C LEU A 51 5.436 -15.354 4.179 1.00 0.00 C ATOM 838 O LEU A 51 4.814 -14.296 4.087 1.00 0.00 O ATOM 839 CB LEU A 51 7.397 -15.647 2.655 1.00 0.00 C ATOM 840 CG LEU A 51 6.802 -14.730 1.587 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.005 -13.270 1.964 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.420 -15.022 0.228 1.00 0.00 C ATOM 0 H LEU A 51 8.091 -17.086 4.530 1.00 0.00 H new ATOM 0 HA LEU A 51 7.334 -14.400 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.483 -15.570 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.139 -16.676 2.406 1.00 0.00 H new ATOM 0 HG LEU A 51 5.731 -14.923 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.575 -12.632 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.514 -13.069 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.071 -13.062 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.984 -14.360 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.497 -14.858 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.223 -16.058 -0.046 1.00 0.00 H new ATOM 854 N GLN A 52 4.842 -16.530 4.358 1.00 0.00 N ATOM 855 CA GLN A 52 3.391 -16.645 4.455 1.00 0.00 C ATOM 856 C GLN A 52 2.881 -16.010 5.744 1.00 0.00 C ATOM 857 O GLN A 52 2.055 -15.097 5.713 1.00 0.00 O ATOM 858 CB GLN A 52 2.971 -18.115 4.395 1.00 0.00 C ATOM 859 CG GLN A 52 1.508 -18.343 4.744 1.00 0.00 C ATOM 860 CD GLN A 52 0.999 -19.690 4.269 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.000 -19.980 3.072 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.560 -20.521 5.207 1.00 0.00 N ATOM 0 H GLN A 52 5.342 -17.415 4.439 1.00 0.00 H new ATOM 0 HA GLN A 52 2.951 -16.114 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.161 -18.498 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.594 -18.691 5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.380 -18.271 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.904 -17.553 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.578 -20.239 6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.205 -21.441 4.947 1.00 0.00 H new ATOM 871 N GLU A 53 3.378 -16.499 6.876 1.00 0.00 N ATOM 872 CA GLU A 53 2.970 -15.979 8.176 1.00 0.00 C ATOM 873 C GLU A 53 3.188 -14.470 8.251 1.00 0.00 C ATOM 874 O GLU A 53 2.442 -13.756 8.922 1.00 0.00 O ATOM 875 CB GLU A 53 3.748 -16.674 9.295 1.00 0.00 C ATOM 876 CG GLU A 53 3.079 -17.938 9.807 1.00 0.00 C ATOM 877 CD GLU A 53 3.753 -18.496 11.046 1.00 0.00 C ATOM 878 OE1 GLU A 53 4.585 -17.778 11.641 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.450 -19.647 11.420 1.00 0.00 O ATOM 0 H GLU A 53 4.063 -17.254 6.919 1.00 0.00 H new ATOM 0 HA GLU A 53 1.907 -16.182 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.746 -16.922 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.874 -15.978 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.034 -17.726 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.089 -18.693 9.021 1.00 0.00 H new ATOM 886 N LYS A 54 4.217 -13.992 7.560 1.00 0.00 N ATOM 887 CA LYS A 54 4.535 -12.569 7.546 1.00 0.00 C ATOM 888 C LYS A 54 3.511 -11.790 6.727 1.00 0.00 C ATOM 889 O LYS A 54 3.009 -10.755 7.165 1.00 0.00 O ATOM 890 CB LYS A 54 5.937 -12.345 6.976 1.00 0.00 C ATOM 891 CG LYS A 54 7.051 -12.769 7.917 1.00 0.00 C ATOM 892 CD LYS A 54 7.463 -11.637 8.842 1.00 0.00 C ATOM 893 CE LYS A 54 8.426 -10.679 8.157 1.00 0.00 C ATOM 894 NZ LYS A 54 9.824 -11.194 8.172 1.00 0.00 N ATOM 0 H LYS A 54 4.846 -14.570 7.002 1.00 0.00 H new ATOM 0 HA LYS A 54 4.504 -12.205 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.033 -12.897 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.058 -11.289 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.722 -13.623 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.913 -13.097 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.577 -11.092 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.932 -12.049 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.109 -10.520 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.390 -9.710 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.450 -10.513 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.136 -11.322 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.863 -12.107 7.675 1.00 0.00 H new ATOM 908 N ILE A 55 3.204 -12.296 5.536 1.00 0.00 N ATOM 909 CA ILE A 55 2.238 -11.649 4.658 1.00 0.00 C ATOM 910 C ILE A 55 0.844 -11.653 5.275 1.00 0.00 C ATOM 911 O ILE A 55 0.137 -10.646 5.245 1.00 0.00 O ATOM 912 CB ILE A 55 2.179 -12.337 3.281 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.511 -12.170 2.546 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.036 -11.769 2.454 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.758 -13.229 1.495 1.00 0.00 C ATOM 0 H ILE A 55 3.611 -13.152 5.158 1.00 0.00 H new ATOM 0 HA ILE A 55 2.572 -10.620 4.527 1.00 0.00 H new ATOM 0 HB ILE A 55 1.999 -13.402 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.535 -11.188 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.323 -12.194 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.007 -12.265 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.093 -11.935 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.188 -10.699 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.720 -13.048 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.766 -14.213 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.966 -13.191 0.747 1.00 0.00 H new ATOM 927 N ILE A 56 0.455 -12.793 5.838 1.00 0.00 N ATOM 928 CA ILE A 56 -0.853 -12.927 6.465 1.00 0.00 C ATOM 929 C ILE A 56 -1.009 -11.950 7.625 1.00 0.00 C ATOM 930 O ILE A 56 -2.052 -11.313 7.778 1.00 0.00 O ATOM 931 CB ILE A 56 -1.085 -14.360 6.982 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.015 -15.360 5.825 1.00 0.00 C ATOM 933 CG2 ILE A 56 -2.428 -14.456 7.690 1.00 0.00 C ATOM 934 CD1 ILE A 56 -0.836 -16.793 6.275 1.00 0.00 C ATOM 0 H ILE A 56 1.028 -13.636 5.872 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.595 -12.700 5.699 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.300 -14.604 7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.928 -15.284 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.188 -15.088 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.578 -15.474 8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.444 -13.767 8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.226 -14.196 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.795 -17.446 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.091 -16.884 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.676 -17.084 6.906 1.00 0.00 H new ATOM 946 N ARG A 57 0.035 -11.834 8.440 1.00 0.00 N ATOM 947 CA ARG A 57 0.014 -10.933 9.586 1.00 0.00 C ATOM 948 C ARG A 57 -0.093 -9.480 9.133 1.00 0.00 C ATOM 949 O ARG A 57 -0.968 -8.743 9.586 1.00 0.00 O ATOM 950 CB ARG A 57 1.273 -11.124 10.433 1.00 0.00 C ATOM 951 CG ARG A 57 1.044 -11.951 11.688 1.00 0.00 C ATOM 952 CD ARG A 57 0.914 -13.431 11.363 1.00 0.00 C ATOM 953 NE ARG A 57 0.200 -14.160 12.409 1.00 0.00 N ATOM 954 CZ ARG A 57 -1.120 -14.125 12.558 1.00 0.00 C ATOM 955 NH1 ARG A 57 -1.865 -13.401 11.734 1.00 0.00 N ATOM 956 NH2 ARG A 57 -1.696 -14.816 13.533 1.00 0.00 N ATOM 0 H ARG A 57 0.906 -12.353 8.328 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.862 -11.172 10.190 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.039 -11.606 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.660 -10.146 10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.872 -11.801 12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.141 -11.607 12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.389 -13.549 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.907 -13.862 11.233 1.00 0.00 H new ATOM 0 HE ARG A 57 0.744 -14.726 13.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.425 -12.869 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.878 -13.376 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.126 -15.374 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.709 -14.789 13.647 1.00 0.00 H new ATOM 970 N GLU A 58 0.803 -9.077 8.238 1.00 0.00 N ATOM 971 CA GLU A 58 0.810 -7.711 7.726 1.00 0.00 C ATOM 972 C GLU A 58 -0.503 -7.390 7.017 1.00 0.00 C ATOM 973 O GLU A 58 -1.108 -6.343 7.251 1.00 0.00 O ATOM 974 CB GLU A 58 1.984 -7.509 6.767 1.00 0.00 C ATOM 975 CG GLU A 58 3.291 -7.178 7.465 1.00 0.00 C ATOM 976 CD GLU A 58 4.338 -6.629 6.516 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.055 -6.549 5.302 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.441 -6.280 6.986 1.00 0.00 O ATOM 0 H GLU A 58 1.533 -9.676 7.852 1.00 0.00 H new ATOM 0 HA GLU A 58 0.921 -7.033 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.118 -8.414 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.740 -6.706 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.103 -6.449 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.678 -8.076 7.947 1.00 0.00 H new ATOM 985 N LEU A 59 -0.937 -8.298 6.150 1.00 0.00 N ATOM 986 CA LEU A 59 -2.178 -8.112 5.404 1.00 0.00 C ATOM 987 C LEU A 59 -3.380 -8.109 6.342 1.00 0.00 C ATOM 988 O LEU A 59 -4.385 -7.450 6.077 1.00 0.00 O ATOM 989 CB LEU A 59 -2.336 -9.215 4.356 1.00 0.00 C ATOM 990 CG LEU A 59 -3.226 -8.881 3.160 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.692 -7.665 2.420 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.331 -10.075 2.222 1.00 0.00 C ATOM 0 H LEU A 59 -0.449 -9.170 5.946 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.131 -7.146 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.346 -9.480 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.739 -10.100 4.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.224 -8.646 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.339 -7.442 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.671 -6.809 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.683 -7.871 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.969 -9.818 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.338 -10.342 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.761 -10.921 2.757 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.270 -8.848 7.441 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.347 -8.928 8.420 1.00 0.00 C ATOM 1006 C ASP A 60 -4.527 -7.595 9.140 1.00 0.00 C ATOM 1007 O ASP A 60 -5.622 -7.035 9.166 1.00 0.00 O ATOM 1008 CB ASP A 60 -4.061 -10.036 9.435 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.107 -10.102 10.530 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.116 -9.205 11.399 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.919 -11.052 10.517 1.00 0.00 O ATOM 0 H ASP A 60 -2.445 -9.400 7.676 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.270 -9.161 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.018 -10.995 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.081 -9.871 9.882 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.443 -7.094 9.725 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.481 -5.826 10.446 1.00 0.00 C ATOM 1018 C VAL A 61 -3.855 -4.677 9.517 1.00 0.00 C ATOM 1019 O VAL A 61 -4.632 -3.796 9.884 1.00 0.00 O ATOM 1020 CB VAL A 61 -2.125 -5.517 11.108 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.840 -6.505 12.228 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.011 -5.535 10.072 1.00 0.00 C ATOM 0 H VAL A 61 -2.529 -7.546 9.714 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.241 -5.924 11.221 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.171 -4.518 11.541 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.878 -6.271 12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.625 -6.437 12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.813 -7.516 11.823 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.060 -5.315 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.962 -6.520 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.212 -4.783 9.309 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.297 -4.692 8.310 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.573 -3.652 7.327 1.00 0.00 C ATOM 1034 C VAL A 62 -5.029 -3.696 6.875 1.00 0.00 C ATOM 1035 O VAL A 62 -5.752 -2.704 6.978 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.661 -3.788 6.095 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.078 -2.806 5.010 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.206 -3.577 6.485 1.00 0.00 C ATOM 0 H VAL A 62 -2.651 -5.414 7.990 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.375 -2.697 7.813 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.765 -4.797 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.422 -2.917 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.107 -3.008 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.005 -1.788 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.575 -3.677 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.084 -2.580 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.916 -4.323 7.225 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.453 -4.851 6.375 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.824 -5.025 5.907 1.00 0.00 C ATOM 1050 C CYS A 63 -7.819 -4.760 7.031 1.00 0.00 C ATOM 1051 O CYS A 63 -8.950 -4.338 6.785 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.020 -6.437 5.356 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.621 -6.701 4.556 1.00 0.00 S ATOM 0 H CYS A 63 -4.868 -5.681 6.283 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.005 -4.304 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.228 -6.649 4.638 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.911 -7.152 6.171 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.692 -7.924 4.121 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.394 -5.013 8.264 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.249 -4.802 9.426 1.00 0.00 C ATOM 1061 C ALA A 64 -8.485 -3.315 9.670 1.00 0.00 C ATOM 1062 O ALA A 64 -9.625 -2.853 9.687 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.635 -5.451 10.657 1.00 0.00 C ATOM 0 H ALA A 64 -6.462 -5.365 8.484 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.214 -5.268 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.284 -5.286 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.524 -6.522 10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.657 -5.011 10.851 1.00 0.00 H new ATOM 1069 N MET A 65 -7.400 -2.572 9.862 1.00 0.00 N ATOM 1070 CA MET A 65 -7.490 -1.138 10.106 1.00 0.00 C ATOM 1071 C MET A 65 -8.125 -0.423 8.917 1.00 0.00 C ATOM 1072 O MET A 65 -8.920 0.502 9.090 1.00 0.00 O ATOM 1073 CB MET A 65 -6.102 -0.557 10.383 1.00 0.00 C ATOM 1074 CG MET A 65 -5.138 -0.704 9.217 1.00 0.00 C ATOM 1075 SD MET A 65 -3.484 -0.098 9.602 1.00 0.00 S ATOM 1076 CE MET A 65 -2.731 -1.575 10.279 1.00 0.00 C ATOM 0 H MET A 65 -6.449 -2.940 9.853 1.00 0.00 H new ATOM 0 HA MET A 65 -8.122 -0.983 10.981 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.202 0.500 10.630 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.679 -1.050 11.258 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.078 -1.754 8.930 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.529 -0.160 8.357 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.863 -1.299 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.453 -2.097 10.907 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.418 -2.229 9.465 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.768 -0.856 7.713 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.304 -0.258 6.497 1.00 0.00 C ATOM 1088 C ILE A 66 -9.806 -0.489 6.385 1.00 0.00 C ATOM 1089 O ILE A 66 -10.568 0.436 6.106 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.614 -0.822 5.240 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.478 0.101 4.797 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.625 -1.003 4.118 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.412 0.297 5.852 1.00 0.00 C ATOM 0 H ILE A 66 -7.110 -1.619 7.554 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.108 0.812 6.560 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.190 -1.797 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.017 -0.309 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.894 1.072 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.123 -1.402 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.403 -1.696 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.075 -0.040 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.639 0.963 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.859 0.736 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.969 -0.666 6.105 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.227 -1.731 6.609 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.639 -2.084 6.535 1.00 0.00 C ATOM 1107 C GLU A 67 -12.448 -1.311 7.572 1.00 0.00 C ATOM 1108 O GLU A 67 -13.559 -0.856 7.297 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.824 -3.588 6.746 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.605 -4.410 5.487 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.679 -5.902 5.745 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -10.994 -6.380 6.673 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.424 -6.593 5.018 1.00 0.00 O ATOM 0 H GLU A 67 -9.610 -2.508 6.843 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.002 -1.816 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.131 -3.926 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.831 -3.773 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.354 -4.136 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.631 -4.166 5.063 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.884 -1.165 8.767 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.566 -0.447 9.828 1.00 0.00 C ATOM 1122 C GLY A 68 -12.762 1.020 9.502 1.00 0.00 C ATOM 1123 O GLY A 68 -13.877 1.536 9.578 1.00 0.00 O ATOM 0 H GLY A 68 -10.966 -1.531 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.537 -0.909 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.993 -0.538 10.751 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.676 1.694 9.139 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.734 3.111 8.801 1.00 0.00 C ATOM 1129 C ALA A 69 -12.531 3.337 7.521 1.00 0.00 C ATOM 1130 O ALA A 69 -13.451 4.154 7.489 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.329 3.677 8.657 1.00 0.00 C ATOM 0 H ALA A 69 -10.745 1.282 9.071 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.243 3.633 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.387 4.736 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.790 3.557 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.801 3.144 7.866 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.172 2.609 6.469 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.855 2.732 5.186 1.00 0.00 C ATOM 1139 C GLN A 70 -14.355 2.512 5.345 1.00 0.00 C ATOM 1140 O GLN A 70 -15.164 3.241 4.772 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.283 1.730 4.182 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.591 2.075 2.735 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.783 0.845 1.869 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -11.854 0.392 1.201 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.992 0.298 1.877 1.00 0.00 N ATOM 0 H GLN A 70 -11.413 1.928 6.479 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.693 3.743 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.202 1.676 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.681 0.740 4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.492 2.687 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.779 2.678 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.733 0.707 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.180 -0.532 1.314 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.721 1.500 6.126 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.124 1.202 6.346 1.00 0.00 C ATOM 1156 C GLY A 71 -16.838 2.298 7.111 1.00 0.00 C ATOM 1157 O GLY A 71 -17.885 2.782 6.684 1.00 0.00 O ATOM 0 H GLY A 71 -14.071 0.881 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.616 1.055 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.211 0.264 6.895 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.271 2.689 8.247 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.859 3.736 9.074 1.00 0.00 C ATOM 1163 C ALA A 72 -16.961 5.050 8.307 1.00 0.00 C ATOM 1164 O ALA A 72 -18.020 5.677 8.268 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.044 3.926 10.344 1.00 0.00 C ATOM 0 H ALA A 72 -15.405 2.297 8.616 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.868 3.425 9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.495 4.711 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.028 2.994 10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.024 4.210 10.083 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.854 5.461 7.698 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.819 6.701 6.931 1.00 0.00 C ATOM 1173 C LEU A 73 -16.868 6.688 5.824 1.00 0.00 C ATOM 1174 O LEU A 73 -17.675 7.610 5.711 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.429 6.912 6.328 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.250 8.168 5.475 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.860 9.353 6.344 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.208 7.933 4.391 1.00 0.00 C ATOM 0 H LEU A 73 -14.969 4.954 7.721 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.044 7.524 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.703 6.943 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.185 6.044 5.716 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.201 8.395 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.737 10.238 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.641 9.536 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.922 9.136 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.094 8.838 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.253 7.680 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.529 7.113 3.749 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.852 5.635 5.013 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.804 5.502 3.916 1.00 0.00 C ATOM 1192 C GLU A 74 -19.238 5.633 4.422 1.00 0.00 C ATOM 1193 O GLU A 74 -20.040 6.379 3.860 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.621 4.156 3.213 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.534 4.166 2.152 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.594 2.954 1.243 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.500 2.116 1.430 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.734 2.844 0.343 1.00 0.00 O ATOM 0 H GLU A 74 -16.191 4.862 5.095 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.613 6.305 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.383 3.396 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.565 3.866 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.626 5.071 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.559 4.204 2.637 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.554 4.902 5.486 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.890 4.935 6.067 1.00 0.00 C ATOM 1207 C ARG A 75 -21.178 6.297 6.693 1.00 0.00 C ATOM 1208 O ARG A 75 -22.332 6.706 6.805 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.038 3.836 7.120 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.155 2.439 6.532 1.00 0.00 C ATOM 1211 CD ARG A 75 -20.617 1.385 7.487 1.00 0.00 C ATOM 1212 NE ARG A 75 -21.582 1.049 8.530 1.00 0.00 N ATOM 1213 CZ ARG A 75 -22.643 0.274 8.328 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -22.872 -0.242 7.128 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -23.476 0.013 9.327 1.00 0.00 N ATOM 0 H ARG A 75 -18.902 4.279 5.963 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.611 4.763 5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.178 3.868 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.921 4.041 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.199 2.226 6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.607 2.392 5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -20.360 0.486 6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -19.698 1.748 7.947 1.00 0.00 H new ATOM 0 HE ARG A 75 -21.434 1.430 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -22.233 -0.045 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -23.687 -0.836 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.303 0.407 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -24.290 -0.582 9.170 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.119 6.991 7.100 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.260 8.305 7.715 1.00 0.00 C ATOM 1231 C GLU A 76 -20.584 9.365 6.667 1.00 0.00 C ATOM 1232 O GLU A 76 -21.556 10.109 6.799 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.977 8.683 8.459 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.146 9.865 9.401 1.00 0.00 C ATOM 1235 CD GLU A 76 -17.825 10.364 9.952 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -17.025 9.529 10.427 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -17.590 11.590 9.910 1.00 0.00 O ATOM 0 H GLU A 76 -19.156 6.665 7.015 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.085 8.259 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.630 7.821 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.200 8.917 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.645 10.677 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.795 9.576 10.228 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.762 9.429 5.625 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.960 10.398 4.552 1.00 0.00 C ATOM 1246 C LEU A 77 -21.257 10.121 3.801 1.00 0.00 C ATOM 1247 O LEU A 77 -21.961 11.044 3.391 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.777 10.364 3.583 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.393 8.986 3.042 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.095 8.718 1.720 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.884 8.880 2.878 1.00 0.00 C ATOM 0 H LEU A 77 -18.952 8.822 5.500 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.026 11.390 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.006 11.013 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.909 10.790 4.086 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.714 8.231 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.810 7.733 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.174 8.752 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.804 9.477 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.628 7.893 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.539 9.643 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.402 9.028 3.844 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.570 8.841 3.623 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.784 8.440 2.923 1.00 0.00 C ATOM 1265 C LYS A 78 -24.026 8.820 3.725 1.00 0.00 C ATOM 1266 O LYS A 78 -25.143 8.784 3.210 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.774 6.931 2.664 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.037 6.538 1.396 1.00 0.00 C ATOM 1269 CD LYS A 78 -22.864 6.833 0.156 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.178 6.326 -1.104 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.086 4.839 -1.126 1.00 0.00 N ATOM 0 H LYS A 78 -20.999 8.064 3.954 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.813 8.966 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.312 6.428 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.802 6.574 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.092 7.078 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.795 5.476 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.844 6.366 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.029 7.907 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.728 6.669 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.177 6.753 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.086 4.553 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.576 4.449 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.531 4.476 -1.993 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.811 16.070 -3.221 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.531 17.089 -4.227 1.00 0.00 C ATOM 1356 C ASN A 83 -23.945 16.462 -5.488 1.00 0.00 C ATOM 1357 O ASN A 83 -23.521 15.306 -5.479 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.564 18.135 -3.667 1.00 0.00 C ATOM 1359 CG ASN A 83 -24.237 19.474 -3.427 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.385 19.911 -2.286 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.645 20.131 -4.506 1.00 0.00 N ATOM 0 HA ASN A 83 -25.471 17.575 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.141 17.771 -2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.734 18.268 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -25.103 21.037 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.501 19.729 -5.432 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.924 17.233 -6.569 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.388 16.755 -7.839 1.00 0.00 C ATOM 1370 C ILE A 84 -21.921 16.364 -7.703 1.00 0.00 C ATOM 1371 O ILE A 84 -21.540 15.228 -7.988 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.526 17.817 -8.944 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.983 18.264 -9.074 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -23.012 17.272 -10.269 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.177 19.420 -10.030 1.00 0.00 C ATOM 0 H ILE A 84 -24.272 18.192 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.971 15.877 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.924 18.684 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -25.585 17.420 -9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.356 18.550 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -23.116 18.034 -11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.962 17.000 -10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -23.590 16.391 -10.549 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.234 19.684 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.602 20.279 -9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.835 19.132 -11.024 1.00 0.00 H new ATOM 1387 N LEU A 85 -21.099 17.312 -7.264 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.673 17.068 -7.088 1.00 0.00 C ATOM 1389 C LEU A 85 -19.432 15.981 -6.045 1.00 0.00 C ATOM 1390 O LEU A 85 -18.639 15.065 -6.263 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.962 18.356 -6.673 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.568 18.574 -7.262 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.660 17.400 -6.936 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.654 18.783 -8.768 1.00 0.00 C ATOM 0 H LEU A 85 -21.397 18.257 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 85 -19.267 16.728 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.590 19.201 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.881 18.368 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.141 19.471 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.673 17.574 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.574 17.296 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.081 16.487 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.653 18.937 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -18.102 17.904 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -18.269 19.658 -8.979 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.120 16.089 -4.914 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.980 15.115 -3.838 1.00 0.00 C ATOM 1408 C GLU A 86 -20.353 13.716 -4.320 1.00 0.00 C ATOM 1409 O GLU A 86 -19.669 12.739 -4.013 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.858 15.507 -2.648 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.519 16.867 -2.063 1.00 0.00 C ATOM 1412 CD GLU A 86 -20.863 16.971 -0.590 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -20.679 15.970 0.134 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.316 18.053 -0.160 1.00 0.00 O ATOM 0 H GLU A 86 -20.780 16.841 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.937 15.107 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.902 15.506 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.758 14.751 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.455 17.061 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.057 17.639 -2.613 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.442 13.627 -5.076 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.908 12.348 -5.600 1.00 0.00 C ATOM 1423 C ARG A 87 -20.852 11.713 -6.501 1.00 0.00 C ATOM 1424 O ARG A 87 -20.577 10.517 -6.405 1.00 0.00 O ATOM 1425 CB ARG A 87 -23.212 12.535 -6.377 1.00 0.00 C ATOM 1426 CG ARG A 87 -24.454 12.485 -5.502 1.00 0.00 C ATOM 1427 CD ARG A 87 -25.699 12.886 -6.279 1.00 0.00 C ATOM 1428 NE ARG A 87 -26.866 13.017 -5.413 1.00 0.00 N ATOM 1429 CZ ARG A 87 -28.117 13.009 -5.859 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -28.362 12.875 -7.155 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -29.127 13.134 -5.007 1.00 0.00 N ATOM 0 H ARG A 87 -22.019 14.426 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.089 11.682 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.182 13.493 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -23.284 11.761 -7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -24.580 11.478 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.326 13.151 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.519 13.832 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.901 12.142 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.713 13.120 -4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -27.589 12.778 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -29.324 12.869 -7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.943 13.236 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -30.087 13.128 -5.350 1.00 0.00 H new ATOM 1445 N PHE A 88 -20.265 12.522 -7.376 1.00 0.00 N ATOM 1446 CA PHE A 88 -19.241 12.040 -8.296 1.00 0.00 C ATOM 1447 C PHE A 88 -18.044 11.480 -7.532 1.00 0.00 C ATOM 1448 O PHE A 88 -17.661 10.326 -7.717 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.786 13.169 -9.223 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.597 12.808 -10.067 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -17.626 11.690 -10.886 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -16.451 13.586 -10.041 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -16.533 11.356 -11.665 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -15.356 13.257 -10.818 1.00 0.00 C ATOM 1455 CZ PHE A 88 -15.396 12.139 -11.630 1.00 0.00 C ATOM 0 H PHE A 88 -20.481 13.515 -7.468 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.674 11.239 -8.896 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.613 13.449 -9.875 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.543 14.046 -8.623 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -18.512 11.073 -10.916 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -16.413 14.459 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.569 10.483 -12.300 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.470 13.873 -10.791 1.00 0.00 H new ATOM 0 HZ PHE A 88 -14.540 11.879 -12.235 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.457 12.309 -6.673 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.304 11.897 -5.882 1.00 0.00 C ATOM 1467 C ASN A 89 -16.653 10.714 -4.984 1.00 0.00 C ATOM 1468 O ASN A 89 -15.837 9.815 -4.780 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.800 13.066 -5.031 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.436 14.276 -5.870 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.564 14.259 -7.094 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.977 15.335 -5.212 1.00 0.00 N ATOM 0 H ASN A 89 -17.761 13.268 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.516 11.588 -6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.568 13.345 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.928 12.747 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.714 16.178 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.887 15.305 -4.196 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.870 10.722 -4.452 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.327 9.650 -3.575 1.00 0.00 C ATOM 1481 C TYR A 90 -18.424 8.329 -4.334 1.00 0.00 C ATOM 1482 O TYR A 90 -17.848 7.323 -3.923 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.686 10.004 -2.969 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.590 10.840 -1.714 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.568 11.766 -1.549 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.522 10.705 -0.692 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.476 12.533 -0.403 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.439 11.468 0.457 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.414 12.380 0.597 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.326 13.142 1.739 1.00 0.00 O ATOM 0 H TYR A 90 -18.558 11.458 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.598 9.535 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.276 10.543 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.224 9.084 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.832 11.889 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.325 9.991 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.674 13.248 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.173 11.351 1.241 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.063 12.913 2.343 1.00 0.00 H new ATOM 1500 N GLU A 91 -19.156 8.344 -5.443 1.00 0.00 N ATOM 1501 CA GLU A 91 -19.329 7.148 -6.258 1.00 0.00 C ATOM 1502 C GLU A 91 -17.979 6.528 -6.609 1.00 0.00 C ATOM 1503 O GLU A 91 -17.775 5.327 -6.444 1.00 0.00 O ATOM 1504 CB GLU A 91 -20.097 7.483 -7.539 1.00 0.00 C ATOM 1505 CG GLU A 91 -21.607 7.436 -7.373 1.00 0.00 C ATOM 1506 CD GLU A 91 -22.101 6.079 -6.910 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -22.091 5.135 -7.727 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -22.498 5.963 -5.732 1.00 0.00 O ATOM 0 H GLU A 91 -19.638 9.170 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.902 6.424 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.808 8.478 -7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.804 6.783 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.913 8.195 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -22.081 7.687 -8.322 1.00 0.00 H new ATOM 1515 N GLU A 92 -17.062 7.360 -7.096 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.733 6.893 -7.471 1.00 0.00 C ATOM 1517 C GLU A 92 -14.957 6.415 -6.247 1.00 0.00 C ATOM 1518 O GLU A 92 -14.301 5.375 -6.282 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.957 8.009 -8.175 1.00 0.00 C ATOM 1520 CG GLU A 92 -13.691 7.529 -8.864 1.00 0.00 C ATOM 1521 CD GLU A 92 -12.941 8.652 -9.556 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -13.024 9.802 -9.077 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.273 8.379 -10.574 1.00 0.00 O ATOM 0 H GLU A 92 -17.215 8.358 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.851 6.053 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -15.605 8.481 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.695 8.774 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.037 7.060 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.948 6.764 -9.596 1.00 0.00 H new ATOM 1530 N ALA A 93 -15.039 7.184 -5.165 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.347 6.838 -3.930 1.00 0.00 C ATOM 1532 C ALA A 93 -14.653 5.404 -3.511 1.00 0.00 C ATOM 1533 O ALA A 93 -13.748 4.583 -3.369 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.732 7.806 -2.821 1.00 0.00 C ATOM 0 H ALA A 93 -15.577 8.049 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.275 6.915 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.208 7.536 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.457 8.820 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.808 7.757 -2.652 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.934 5.110 -3.316 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.359 3.775 -2.912 1.00 0.00 C ATOM 1542 C GLN A 94 -15.939 2.734 -3.945 1.00 0.00 C ATOM 1543 O GLN A 94 -15.406 1.680 -3.601 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.876 3.735 -2.718 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.657 4.190 -3.940 1.00 0.00 C ATOM 1546 CD GLN A 94 -20.141 4.334 -3.663 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.648 5.443 -3.492 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.847 3.210 -3.617 1.00 0.00 N ATOM 0 H GLN A 94 -16.696 5.778 -3.431 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.873 3.538 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.175 2.718 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.143 4.367 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.261 5.145 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.510 3.474 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.386 2.312 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.850 3.245 -3.434 1.00 0.00 H new ATOM 1557 N THR A 95 -16.183 3.039 -5.217 1.00 0.00 N ATOM 1558 CA THR A 95 -15.832 2.130 -6.302 1.00 0.00 C ATOM 1559 C THR A 95 -14.392 1.648 -6.170 1.00 0.00 C ATOM 1560 O THR A 95 -14.125 0.446 -6.180 1.00 0.00 O ATOM 1561 CB THR A 95 -16.014 2.800 -7.676 1.00 0.00 C ATOM 1562 OG1 THR A 95 -17.385 3.170 -7.863 1.00 0.00 O ATOM 1563 CG2 THR A 95 -15.579 1.865 -8.795 1.00 0.00 C ATOM 0 H THR A 95 -16.622 3.908 -5.520 1.00 0.00 H new ATOM 0 HA THR A 95 -16.506 1.276 -6.231 1.00 0.00 H new ATOM 0 HB THR A 95 -15.390 3.693 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.623 3.877 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.717 2.360 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.528 1.608 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.181 0.957 -8.765 1.00 0.00 H new ATOM 1571 N LEU A 96 -13.466 2.592 -6.047 1.00 0.00 N ATOM 1572 CA LEU A 96 -12.051 2.263 -5.913 1.00 0.00 C ATOM 1573 C LEU A 96 -11.806 1.406 -4.677 1.00 0.00 C ATOM 1574 O LEU A 96 -10.992 0.482 -4.700 1.00 0.00 O ATOM 1575 CB LEU A 96 -11.215 3.543 -5.835 1.00 0.00 C ATOM 1576 CG LEU A 96 -11.193 4.408 -7.095 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -10.622 5.784 -6.788 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -10.389 3.729 -8.194 1.00 0.00 C ATOM 0 H LEU A 96 -13.669 3.592 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.751 1.693 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.590 4.148 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.189 3.269 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.218 4.532 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.614 6.386 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.238 6.274 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.604 5.680 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.384 4.359 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.365 3.574 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.841 2.766 -8.434 1.00 0.00 H new ATOM 1590 N SER A 97 -12.516 1.717 -3.596 1.00 0.00 N ATOM 1591 CA SER A 97 -12.375 0.975 -2.349 1.00 0.00 C ATOM 1592 C SER A 97 -12.817 -0.475 -2.526 1.00 0.00 C ATOM 1593 O SER A 97 -12.231 -1.390 -1.947 1.00 0.00 O ATOM 1594 CB SER A 97 -13.195 1.639 -1.241 1.00 0.00 C ATOM 1595 OG SER A 97 -14.243 0.792 -0.804 1.00 0.00 O ATOM 0 H SER A 97 -13.194 2.478 -3.559 1.00 0.00 H new ATOM 0 HA SER A 97 -11.322 0.983 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.546 1.883 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.611 2.578 -1.605 1.00 0.00 H new ATOM 0 HG SER A 97 -14.924 1.325 -0.344 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.857 -0.675 -3.328 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.380 -2.012 -3.583 1.00 0.00 C ATOM 1603 C LYS A 98 -13.363 -2.858 -4.343 1.00 0.00 C ATOM 1604 O LYS A 98 -13.061 -3.985 -3.948 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.684 -1.929 -4.380 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.805 -1.222 -3.638 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.013 -1.808 -2.251 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.488 -2.036 -1.957 1.00 0.00 C ATOM 1609 NZ LYS A 98 -18.688 -2.885 -0.750 1.00 0.00 N ATOM 0 H LYS A 98 -14.355 0.072 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.577 -2.487 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.494 -1.407 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.008 -2.938 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.574 -0.160 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.729 -1.303 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.475 -2.752 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.592 -1.135 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.982 -1.075 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.961 -2.510 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.706 -3.017 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.239 -3.811 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.259 -2.421 0.076 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.836 -2.307 -5.431 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.850 -3.011 -6.242 1.00 0.00 C ATOM 1625 C ILE A 99 -10.620 -3.377 -5.419 1.00 0.00 C ATOM 1626 O ILE A 99 -10.190 -4.530 -5.404 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.412 -2.167 -7.453 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.618 -1.836 -8.335 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.349 -2.903 -8.255 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.450 -0.563 -9.135 1.00 0.00 C ATOM 0 H ILE A 99 -13.075 -1.376 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.328 -3.923 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.984 -1.233 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.796 -2.665 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.504 -1.746 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -10.050 -2.294 -9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.482 -3.092 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.753 -3.851 -8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -13.342 -0.391 -9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.303 0.277 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.584 -0.656 -9.790 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.059 -2.387 -4.733 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.878 -2.604 -3.905 1.00 0.00 C ATOM 1644 C LEU A 100 -9.144 -3.668 -2.844 1.00 0.00 C ATOM 1645 O LEU A 100 -8.353 -4.595 -2.668 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.454 -1.296 -3.235 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.149 -1.342 -2.438 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.385 -1.944 -1.062 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.091 -2.131 -3.195 1.00 0.00 C ATOM 0 H LEU A 100 -10.403 -1.427 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.072 -2.954 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.359 -0.531 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.254 -0.978 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.788 -0.322 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.446 -1.969 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.110 -1.337 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.769 -2.958 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.169 -2.154 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.443 -3.150 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.902 -1.655 -4.157 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.264 -3.529 -2.143 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.637 -4.481 -1.102 1.00 0.00 C ATOM 1663 C LEU A 101 -10.706 -5.899 -1.659 1.00 0.00 C ATOM 1664 O LEU A 101 -10.252 -6.850 -1.023 1.00 0.00 O ATOM 1665 CB LEU A 101 -11.985 -4.095 -0.490 1.00 0.00 C ATOM 1666 CG LEU A 101 -11.928 -3.227 0.767 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.330 -2.905 1.258 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.124 -3.921 1.858 1.00 0.00 C ATOM 0 H LEU A 101 -10.929 -2.767 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 101 -9.871 -4.452 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.566 -3.567 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.528 -5.009 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.430 -2.290 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.269 -2.286 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.873 -2.366 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -13.855 -3.831 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.094 -3.289 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.593 -4.873 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.108 -4.099 1.504 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.275 -6.033 -2.853 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.401 -7.334 -3.498 1.00 0.00 C ATOM 1682 C LYS A 102 -10.029 -7.960 -3.734 1.00 0.00 C ATOM 1683 O LYS A 102 -9.777 -9.095 -3.332 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.146 -7.197 -4.827 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.657 -7.269 -4.688 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.337 -7.386 -6.042 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.327 -6.060 -6.787 1.00 0.00 C ATOM 1688 NZ LYS A 102 -15.149 -6.116 -8.028 1.00 0.00 N ATOM 0 H LYS A 102 -11.656 -5.256 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.969 -7.987 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.877 -6.247 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.814 -7.985 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.926 -8.125 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.019 -6.379 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.831 -8.144 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.365 -7.721 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.707 -5.274 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.301 -5.794 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.117 -5.194 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.771 -6.849 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.133 -6.345 -7.782 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.148 -7.210 -4.388 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.801 -7.691 -4.675 1.00 0.00 C ATOM 1704 C ASP A 103 -7.099 -8.136 -3.396 1.00 0.00 C ATOM 1705 O ASP A 103 -6.513 -9.218 -3.341 1.00 0.00 O ATOM 1706 CB ASP A 103 -6.984 -6.598 -5.366 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.910 -6.794 -6.868 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.976 -6.802 -7.518 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.786 -6.940 -7.393 1.00 0.00 O ATOM 0 H ASP A 103 -9.342 -6.268 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.882 -8.550 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.427 -5.626 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.975 -6.587 -4.954 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.160 -7.293 -2.369 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.528 -7.599 -1.090 1.00 0.00 C ATOM 1716 C LEU A 104 -7.072 -8.902 -0.513 1.00 0.00 C ATOM 1717 O LEU A 104 -6.310 -9.797 -0.146 1.00 0.00 O ATOM 1718 CB LEU A 104 -6.755 -6.455 -0.101 1.00 0.00 C ATOM 1719 CG LEU A 104 -5.645 -6.225 0.925 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -5.619 -4.770 1.366 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -5.828 -7.143 2.124 1.00 0.00 C ATOM 0 H LEU A 104 -7.640 -6.394 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.458 -7.717 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.895 -5.534 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.685 -6.644 0.435 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.689 -6.459 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.823 -4.625 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.439 -4.131 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.577 -4.509 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.029 -6.965 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.791 -6.941 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.796 -8.182 1.795 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.394 -9.002 -0.434 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.042 -10.196 0.096 1.00 0.00 C ATOM 1735 C LYS A 105 -8.519 -11.451 -0.597 1.00 0.00 C ATOM 1736 O LYS A 105 -8.130 -12.416 0.059 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.559 -10.099 -0.079 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.343 -10.584 1.129 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.599 -9.758 1.347 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.789 -10.348 0.603 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.313 -11.569 1.275 1.00 0.00 N ATOM 0 H LYS A 105 -9.039 -8.270 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.809 -10.264 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.827 -9.062 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.854 -10.683 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.614 -11.631 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.713 -10.532 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.823 -9.708 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.427 -8.736 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.581 -9.602 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.494 -10.593 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.234 -11.823 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.644 -12.354 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.427 -11.384 2.292 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.513 -11.429 -1.926 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.038 -12.565 -2.707 1.00 0.00 C ATOM 1757 C GLU A 106 -6.588 -12.895 -2.361 1.00 0.00 C ATOM 1758 O GLU A 106 -6.215 -14.062 -2.243 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.164 -12.273 -4.203 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.019 -13.507 -5.078 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.297 -14.320 -5.156 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.928 -14.534 -4.099 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.666 -14.742 -6.272 1.00 0.00 O ATOM 0 H GLU A 106 -8.832 -10.637 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.657 -13.427 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.134 -11.814 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.405 -11.545 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.724 -13.203 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.218 -14.133 -4.686 1.00 0.00 H new ATOM 1770 N THR A 107 -5.775 -11.855 -2.200 1.00 0.00 N ATOM 1771 CA THR A 107 -4.366 -12.032 -1.869 1.00 0.00 C ATOM 1772 C THR A 107 -4.199 -12.811 -0.569 1.00 0.00 C ATOM 1773 O THR A 107 -3.490 -13.815 -0.523 1.00 0.00 O ATOM 1774 CB THR A 107 -3.645 -10.677 -1.740 1.00 0.00 C ATOM 1775 OG1 THR A 107 -3.932 -9.858 -2.878 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.141 -10.874 -1.616 1.00 0.00 C ATOM 0 H THR A 107 -6.068 -10.882 -2.293 1.00 0.00 H new ATOM 0 HA THR A 107 -3.918 -12.597 -2.687 1.00 0.00 H new ATOM 0 HB THR A 107 -4.006 -10.183 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.832 -9.479 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.653 -9.903 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.924 -11.472 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.767 -11.387 -2.502 1.00 0.00 H new ATOM 1784 N GLU A 108 -4.858 -12.340 0.485 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.781 -12.993 1.786 1.00 0.00 C ATOM 1786 C GLU A 108 -5.254 -14.442 1.696 1.00 0.00 C ATOM 1787 O GLU A 108 -4.598 -15.351 2.203 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.624 -12.234 2.813 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.080 -12.318 4.229 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.176 -12.307 5.277 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -6.754 -11.227 5.520 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -6.455 -13.379 5.854 1.00 0.00 O ATOM 0 H GLU A 108 -5.450 -11.510 0.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.739 -12.987 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.685 -11.187 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.640 -12.628 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.491 -13.229 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.406 -11.480 4.405 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.396 -14.647 1.048 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.956 -15.984 0.893 1.00 0.00 C ATOM 1801 C GLN A 109 -5.929 -16.938 0.293 1.00 0.00 C ATOM 1802 O GLN A 109 -5.658 -18.004 0.847 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.204 -15.938 0.010 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.090 -17.165 0.144 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.436 -16.991 -0.532 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.585 -17.270 -1.723 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.424 -16.527 0.223 1.00 0.00 N ATOM 0 H GLN A 109 -6.951 -13.905 0.622 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.232 -16.352 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.785 -15.051 0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.899 -15.833 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.580 -18.026 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.244 -17.383 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.256 -16.309 1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.351 -16.389 -0.179 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.361 -16.549 -0.843 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.363 -17.368 -1.521 1.00 0.00 C ATOM 1818 C LYS A 110 -3.193 -17.679 -0.591 1.00 0.00 C ATOM 1819 O LYS A 110 -2.760 -18.827 -0.485 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.855 -16.656 -2.776 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.873 -16.607 -3.901 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.836 -17.872 -4.742 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.482 -17.655 -6.103 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.110 -18.902 -6.623 1.00 0.00 N ATOM 0 H LYS A 110 -5.575 -15.670 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.835 -18.307 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.566 -15.638 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.957 -17.161 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.871 -16.475 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.675 -15.742 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.802 -18.192 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.353 -18.675 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.237 -16.873 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.730 -17.304 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.539 -18.714 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.385 -19.641 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.845 -19.223 -5.961 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.687 -16.650 0.080 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.570 -16.814 1.003 1.00 0.00 C ATOM 1840 C VAL A 111 -1.894 -17.842 2.081 1.00 0.00 C ATOM 1841 O VAL A 111 -1.182 -18.835 2.243 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.198 -15.480 1.677 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.067 -15.682 2.673 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.820 -14.443 0.631 1.00 0.00 C ATOM 0 H VAL A 111 -3.033 -15.694 0.002 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.722 -17.164 0.414 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.068 -15.113 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.182 -14.729 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.380 -16.390 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.809 -16.072 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.560 -13.507 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.035 -14.800 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.664 -14.278 -0.039 1.00 0.00 H new ATOM 1854 N LYS A 112 -2.973 -17.600 2.816 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.395 -18.506 3.880 1.00 0.00 C ATOM 1856 C LYS A 112 -3.732 -19.884 3.318 1.00 0.00 C ATOM 1857 O LYS A 112 -3.703 -20.882 4.039 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.608 -17.933 4.615 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.938 -18.405 4.055 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.016 -17.346 4.208 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.353 -17.099 5.670 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.697 -18.362 6.381 1.00 0.00 N ATOM 0 H LYS A 112 -3.573 -16.784 2.695 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.569 -18.611 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.548 -18.209 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.570 -16.845 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.821 -18.656 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.247 -19.316 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.681 -16.416 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.914 -17.660 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.505 -16.624 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.190 -16.405 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.190 -18.137 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.315 -18.942 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.826 -18.890 6.593 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.048 -19.932 2.029 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.388 -21.187 1.371 1.00 0.00 C ATOM 1878 C ASP A 113 -3.151 -22.064 1.201 1.00 0.00 C ATOM 1879 O ASP A 113 -3.181 -23.260 1.492 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.028 -20.918 0.009 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.640 -22.163 -0.601 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.010 -23.078 0.165 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -5.747 -22.226 -1.844 1.00 0.00 O ATOM 0 H ASP A 113 -4.076 -19.115 1.419 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.103 -21.716 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.798 -20.154 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.275 -20.517 -0.670 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.066 -21.461 0.728 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.819 -22.186 0.519 1.00 0.00 C ATOM 1890 C ILE A 114 -0.349 -22.855 1.807 1.00 0.00 C ATOM 1891 O ILE A 114 -0.327 -22.231 2.868 1.00 0.00 O ATOM 1892 CB ILE A 114 0.295 -21.256 0.002 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.259 -21.182 -1.526 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.654 -21.738 0.484 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.841 -20.294 -2.063 1.00 0.00 C ATOM 0 H ILE A 114 -2.025 -20.472 0.482 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.021 -22.949 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 114 0.126 -20.255 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.220 -20.814 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.131 -22.187 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.430 -21.070 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.673 -21.742 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.834 -22.747 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.806 -20.290 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.808 -20.673 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.703 -19.279 -1.691 1.00 0.00 H new ATOM 1907 N GLN A 115 0.026 -24.125 1.705 1.00 0.00 N ATOM 1908 CA GLN A 115 0.496 -24.879 2.861 1.00 0.00 C ATOM 1909 C GLN A 115 2.008 -24.750 3.016 1.00 0.00 C ATOM 1910 O GLN A 115 2.748 -24.763 2.031 1.00 0.00 O ATOM 1911 CB GLN A 115 0.109 -26.352 2.730 1.00 0.00 C ATOM 1912 CG GLN A 115 0.848 -27.079 1.618 1.00 0.00 C ATOM 1913 CD GLN A 115 0.541 -28.563 1.586 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -0.484 -29.008 2.105 1.00 0.00 O ATOM 1915 NE2 GLN A 115 1.428 -29.338 0.974 1.00 0.00 N ATOM 0 H GLN A 115 0.014 -24.654 0.833 1.00 0.00 H new ATOM 0 HA GLN A 115 0.020 -24.465 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.306 -26.856 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.963 -26.422 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.580 -26.636 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.921 -26.937 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.263 -28.927 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.274 -30.345 0.920 1.00 0.00 H new ATOM 1924 N THR A 116 2.462 -24.626 4.259 1.00 0.00 N ATOM 1925 CA THR A 116 3.886 -24.494 4.544 1.00 0.00 C ATOM 1926 C THR A 116 4.281 -25.315 5.766 1.00 0.00 C ATOM 1927 O THR A 116 3.462 -26.042 6.327 1.00 0.00 O ATOM 1928 CB THR A 116 4.277 -23.023 4.780 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.706 -22.554 6.006 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.808 -22.147 3.627 1.00 0.00 C ATOM 0 H THR A 116 1.864 -24.614 5.085 1.00 0.00 H new ATOM 0 HA THR A 116 4.419 -24.869 3.670 1.00 0.00 H new ATOM 0 HB THR A 116 5.364 -22.964 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.232 -21.712 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.095 -21.113 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.269 -22.488 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.724 -22.212 3.538 1.00 0.00 H new ATOM 1938 N GLN A 117 5.541 -25.193 6.173 1.00 0.00 N ATOM 1939 CA GLN A 117 6.043 -25.925 7.330 1.00 0.00 C ATOM 1940 C GLN A 117 6.227 -24.995 8.525 1.00 0.00 C ATOM 1941 O GLN A 117 6.999 -25.287 9.438 1.00 0.00 O ATOM 1942 CB GLN A 117 7.369 -26.607 6.990 1.00 0.00 C ATOM 1943 CG GLN A 117 7.289 -27.528 5.784 1.00 0.00 C ATOM 1944 CD GLN A 117 8.540 -28.364 5.602 1.00 0.00 C ATOM 1945 OE1 GLN A 117 9.004 -29.017 6.536 1.00 0.00 O ATOM 1946 NE2 GLN A 117 9.092 -28.348 4.394 1.00 0.00 N ATOM 0 H GLN A 117 6.232 -24.595 5.719 1.00 0.00 H new ATOM 0 HA GLN A 117 5.308 -26.685 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.123 -25.843 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.704 -27.182 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.429 -28.188 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.122 -26.932 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.673 -27.792 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.935 -28.892 4.211 1.00 0.00 H new