USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 GLN : amide:sc= -0.783 K(o=-0.78,f=-3.1!) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.857) USER MOD Set 2.1: A 70 GLN : amide:sc= -1.94! C(o=-2.6!,f=-4.2!) USER MOD Set 2.2: A 94 GLN : amide:sc= 0.0308 K(o=-2.6,f=-4.1) USER MOD Set 2.3: A 97 SER OG : rot 135:sc= -0.699! USER MOD Set 3.1: A 46 ASN : amide:sc= -0.628 X(o=-0.64,f=-0.99) USER MOD Set 3.2: A 48 SER OG : rot -170:sc= -0.0147 USER MOD Set 4.1: A 38 HIS : no HE2:sc= 0.269 K(o=0.24,f=-3.5) USER MOD Set 4.2: A 39 GLN : amide:sc= -0.026 K(o=0.24,f=-0.73) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.17! C(o=-1.2!,f=-2!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0639 (180deg=-0.366) USER MOD Single : A 31 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.95! C(o=-3.9!,f=-8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.6) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.77! C(o=-3!,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0166 (180deg=-0.192) USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= 1.29 (180deg=1.04) USER MOD Single : A 52 GLN : amide:sc= -0.837 K(o=-0.84,f=-9.9!) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00557 (180deg=-0.184) USER MOD Single : A 63 CYS SG : rot 5:sc= -1.53! USER MOD Single : A 65 MET CE :methyl -107:sc= -0.322 (180deg=-1.97) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.431 (180deg=-0.613) USER MOD Single : A 89 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.99) USER MOD Single : A 90 TYR OH : rot -137:sc= 0.894 USER MOD Single : A 95 THR OG1 : rot 80:sc= 1.28 USER MOD Single : A 98 LYS NZ :NH3+ 132:sc= -0.028 (180deg=-0.372) USER MOD Single : A 102 LYS NZ :NH3+ 142:sc= 1.16 (180deg=-0.873) USER MOD Single : A 105 LYS NZ :NH3+ 154:sc= -0.304 (180deg=-0.87) USER MOD Single : A 107 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 112 LYS NZ :NH3+ 174:sc=-0.00879 (180deg=-0.0712) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 116 THR OG1 : rot 170:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.085 17.514 0.724 1.00 0.00 N ATOM 298 CA LEU A 18 0.062 16.589 0.244 1.00 0.00 C ATOM 299 C LEU A 18 0.663 15.519 -0.683 1.00 0.00 C ATOM 300 O LEU A 18 0.842 14.359 -0.286 1.00 0.00 O ATOM 301 CB LEU A 18 -1.046 17.366 -0.471 1.00 0.00 C ATOM 302 CG LEU A 18 -1.750 18.437 0.373 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.719 19.242 -0.475 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.472 17.802 1.555 1.00 0.00 C ATOM 0 HA LEU A 18 -0.364 16.072 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.620 17.845 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.794 16.656 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.991 19.117 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.206 19.995 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.175 19.733 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.472 18.577 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.964 18.578 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.217 17.096 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.751 17.277 2.182 1.00 0.00 H new ATOM 316 N ILE A 19 1.004 15.916 -1.899 1.00 0.00 N ATOM 317 CA ILE A 19 1.574 14.988 -2.872 1.00 0.00 C ATOM 318 C ILE A 19 2.920 14.428 -2.400 1.00 0.00 C ATOM 319 O ILE A 19 3.311 13.328 -2.782 1.00 0.00 O ATOM 320 CB ILE A 19 1.710 15.647 -4.272 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.323 15.985 -4.817 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.458 14.742 -5.248 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.590 14.779 -4.951 1.00 0.00 C ATOM 0 H ILE A 19 0.898 16.872 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 19 0.881 14.152 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 19 2.291 16.563 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.148 16.715 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.431 16.458 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.534 15.236 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.458 14.541 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.917 13.803 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.556 15.096 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.141 14.057 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.729 14.318 -3.973 1.00 0.00 H new ATOM 335 N GLU A 20 3.600 15.172 -1.545 1.00 0.00 N ATOM 336 CA GLU A 20 4.880 14.735 -1.008 1.00 0.00 C ATOM 337 C GLU A 20 4.708 13.443 -0.198 1.00 0.00 C ATOM 338 O GLU A 20 5.457 12.473 -0.368 1.00 0.00 O ATOM 339 CB GLU A 20 5.488 15.831 -0.143 1.00 0.00 C ATOM 340 CG GLU A 20 6.978 15.686 0.096 1.00 0.00 C ATOM 341 CD GLU A 20 7.775 15.791 -1.190 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.785 14.817 -1.975 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.374 16.857 -1.431 1.00 0.00 O ATOM 0 H GLU A 20 3.288 16.082 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 20 5.557 14.532 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.300 16.795 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.977 15.842 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.310 16.457 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.177 14.724 0.568 1.00 0.00 H new ATOM 350 N GLN A 21 3.697 13.424 0.660 1.00 0.00 N ATOM 351 CA GLN A 21 3.428 12.250 1.476 1.00 0.00 C ATOM 352 C GLN A 21 2.857 11.123 0.620 1.00 0.00 C ATOM 353 O GLN A 21 3.029 9.940 0.926 1.00 0.00 O ATOM 354 CB GLN A 21 2.469 12.587 2.620 1.00 0.00 C ATOM 355 CG GLN A 21 3.008 13.638 3.582 1.00 0.00 C ATOM 356 CD GLN A 21 2.015 13.999 4.669 1.00 0.00 C ATOM 357 OE1 GLN A 21 2.022 13.416 5.750 1.00 0.00 O ATOM 358 NE2 GLN A 21 1.158 14.962 4.386 1.00 0.00 N ATOM 0 H GLN A 21 3.055 14.202 0.808 1.00 0.00 H new ATOM 0 HA GLN A 21 4.371 11.916 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.527 12.940 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.248 11.677 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.925 13.268 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.271 14.536 3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.188 15.420 3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.466 15.249 5.078 1.00 0.00 H new ATOM 367 N ALA A 22 2.215 11.503 -0.487 1.00 0.00 N ATOM 368 CA ALA A 22 1.590 10.539 -1.380 1.00 0.00 C ATOM 369 C ALA A 22 2.634 9.816 -2.218 1.00 0.00 C ATOM 370 O ALA A 22 2.633 8.588 -2.315 1.00 0.00 O ATOM 371 CB ALA A 22 0.582 11.230 -2.287 1.00 0.00 C ATOM 0 H ALA A 22 2.117 12.474 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 22 1.069 9.803 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.124 10.495 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.190 11.703 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.089 11.988 -2.883 1.00 0.00 H new ATOM 377 N ASN A 23 3.542 10.595 -2.806 1.00 0.00 N ATOM 378 CA ASN A 23 4.575 10.030 -3.667 1.00 0.00 C ATOM 379 C ASN A 23 5.529 9.173 -2.859 1.00 0.00 C ATOM 380 O ASN A 23 6.076 8.194 -3.365 1.00 0.00 O ATOM 381 CB ASN A 23 5.349 11.106 -4.468 1.00 0.00 C ATOM 382 CG ASN A 23 6.439 11.808 -3.673 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.551 11.303 -3.541 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.141 12.982 -3.177 1.00 0.00 N ATOM 0 H ASN A 23 3.582 11.609 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 23 4.066 9.405 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.798 10.638 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.642 11.852 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.844 13.511 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.206 13.368 -3.308 1.00 0.00 H new ATOM 391 N HIS A 24 5.720 9.525 -1.590 1.00 0.00 N ATOM 392 CA HIS A 24 6.586 8.743 -0.736 1.00 0.00 C ATOM 393 C HIS A 24 5.941 7.402 -0.403 1.00 0.00 C ATOM 394 O HIS A 24 6.614 6.369 -0.402 1.00 0.00 O ATOM 395 CB HIS A 24 6.948 9.496 0.548 1.00 0.00 C ATOM 396 CG HIS A 24 8.060 8.856 1.324 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.952 8.497 2.649 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.318 8.528 0.952 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.094 7.979 3.058 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.937 7.986 2.046 1.00 0.00 N ATOM 0 H HIS A 24 5.291 10.335 -1.143 1.00 0.00 H new ATOM 0 HA HIS A 24 7.511 8.563 -1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.234 10.516 0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.064 9.562 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.753 8.668 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.302 7.612 4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.897 7.643 2.073 1.00 0.00 H new ATOM 409 N ALA A 25 4.637 7.410 -0.118 1.00 0.00 N ATOM 410 CA ALA A 25 3.922 6.181 0.196 1.00 0.00 C ATOM 411 C ALA A 25 3.898 5.219 -0.991 1.00 0.00 C ATOM 412 O ALA A 25 4.187 4.035 -0.836 1.00 0.00 O ATOM 413 CB ALA A 25 2.505 6.497 0.651 1.00 0.00 C ATOM 0 H ALA A 25 4.061 8.252 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 25 4.456 5.687 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.982 5.569 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.540 7.125 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.976 7.023 -0.144 1.00 0.00 H new ATOM 419 N ILE A 26 3.559 5.729 -2.178 1.00 0.00 N ATOM 420 CA ILE A 26 3.500 4.883 -3.371 1.00 0.00 C ATOM 421 C ILE A 26 4.884 4.344 -3.735 1.00 0.00 C ATOM 422 O ILE A 26 5.007 3.238 -4.259 1.00 0.00 O ATOM 423 CB ILE A 26 2.866 5.605 -4.591 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.664 6.856 -4.964 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.412 5.957 -4.301 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.130 7.589 -6.181 1.00 0.00 C ATOM 0 H ILE A 26 3.325 6.709 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 26 2.849 4.046 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 26 2.894 4.926 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.668 7.539 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.700 6.572 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.981 6.463 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.851 5.045 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.363 6.615 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.750 8.463 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.152 6.924 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.104 7.906 -5.994 1.00 0.00 H new ATOM 438 N GLU A 27 5.922 5.131 -3.449 1.00 0.00 N ATOM 439 CA GLU A 27 7.291 4.690 -3.672 1.00 0.00 C ATOM 440 C GLU A 27 7.584 3.476 -2.803 1.00 0.00 C ATOM 441 O GLU A 27 8.138 2.469 -3.271 1.00 0.00 O ATOM 442 CB GLU A 27 8.281 5.810 -3.339 1.00 0.00 C ATOM 443 CG GLU A 27 9.729 5.359 -3.320 1.00 0.00 C ATOM 444 CD GLU A 27 10.689 6.472 -2.987 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.768 6.863 -1.805 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.391 6.944 -3.903 1.00 0.00 O ATOM 0 H GLU A 27 5.837 6.072 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 27 7.404 4.426 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.169 6.611 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.028 6.229 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.844 4.557 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.987 4.944 -4.294 1.00 0.00 H new ATOM 453 N LYS A 28 7.199 3.564 -1.540 1.00 0.00 N ATOM 454 CA LYS A 28 7.379 2.460 -0.623 1.00 0.00 C ATOM 455 C LYS A 28 6.549 1.267 -1.075 1.00 0.00 C ATOM 456 O LYS A 28 7.009 0.124 -1.014 1.00 0.00 O ATOM 457 CB LYS A 28 7.012 2.869 0.805 1.00 0.00 C ATOM 458 CG LYS A 28 7.178 1.745 1.825 1.00 0.00 C ATOM 459 CD LYS A 28 7.002 2.242 3.255 1.00 0.00 C ATOM 460 CE LYS A 28 8.125 3.193 3.661 1.00 0.00 C ATOM 461 NZ LYS A 28 9.463 2.551 3.566 1.00 0.00 N ATOM 0 H LYS A 28 6.761 4.389 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 28 8.431 2.175 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.633 3.713 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.978 3.213 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.449 0.960 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.166 1.299 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.042 2.750 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.980 1.392 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.101 4.076 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.959 3.534 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.161 3.125 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.422 1.599 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.743 2.479 2.567 1.00 0.00 H new ATOM 475 N GLY A 29 5.330 1.543 -1.556 1.00 0.00 N ATOM 476 CA GLY A 29 4.459 0.496 -2.052 1.00 0.00 C ATOM 477 C GLY A 29 5.078 -0.255 -3.206 1.00 0.00 C ATOM 478 O GLY A 29 5.034 -1.478 -3.260 1.00 0.00 O ATOM 0 H GLY A 29 4.935 2.482 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.234 -0.201 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.512 0.932 -2.370 1.00 0.00 H new ATOM 482 N GLU A 30 5.677 0.490 -4.125 1.00 0.00 N ATOM 483 CA GLU A 30 6.345 -0.075 -5.286 1.00 0.00 C ATOM 484 C GLU A 30 7.408 -1.072 -4.845 1.00 0.00 C ATOM 485 O GLU A 30 7.497 -2.189 -5.362 1.00 0.00 O ATOM 486 CB GLU A 30 6.991 1.061 -6.091 1.00 0.00 C ATOM 487 CG GLU A 30 7.922 0.608 -7.205 1.00 0.00 C ATOM 488 CD GLU A 30 8.683 1.766 -7.818 1.00 0.00 C ATOM 489 OE1 GLU A 30 9.655 2.250 -7.185 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.322 2.202 -8.925 1.00 0.00 O ATOM 0 H GLU A 30 5.712 1.509 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 30 5.618 -0.598 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.201 1.674 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.550 1.699 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.629 -0.122 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.342 0.105 -7.979 1.00 0.00 H new ATOM 497 N HIS A 31 8.190 -0.662 -3.859 1.00 0.00 N ATOM 498 CA HIS A 31 9.290 -1.472 -3.356 1.00 0.00 C ATOM 499 C HIS A 31 8.791 -2.734 -2.652 1.00 0.00 C ATOM 500 O HIS A 31 9.271 -3.830 -2.923 1.00 0.00 O ATOM 501 CB HIS A 31 10.182 -0.647 -2.420 1.00 0.00 C ATOM 502 CG HIS A 31 10.820 0.542 -3.085 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.544 1.493 -2.400 1.00 0.00 N ATOM 504 CD2 HIS A 31 10.833 0.935 -4.385 1.00 0.00 C ATOM 505 CE1 HIS A 31 11.967 2.414 -3.243 1.00 0.00 C ATOM 506 NE2 HIS A 31 11.549 2.098 -4.453 1.00 0.00 N ATOM 0 H HIS A 31 8.082 0.236 -3.387 1.00 0.00 H new ATOM 0 HA HIS A 31 9.882 -1.790 -4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.586 -0.303 -1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.964 -1.290 -2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.364 0.423 -5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.557 3.281 -2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.730 2.634 -5.302 1.00 0.00 H new ATOM 515 N GLN A 32 7.810 -2.583 -1.770 1.00 0.00 N ATOM 516 CA GLN A 32 7.296 -3.727 -1.017 1.00 0.00 C ATOM 517 C GLN A 32 6.502 -4.678 -1.916 1.00 0.00 C ATOM 518 O GLN A 32 6.425 -5.877 -1.636 1.00 0.00 O ATOM 519 CB GLN A 32 6.475 -3.268 0.215 1.00 0.00 C ATOM 520 CG GLN A 32 5.252 -2.392 -0.083 1.00 0.00 C ATOM 521 CD GLN A 32 4.031 -3.162 -0.588 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.229 -2.634 -1.345 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.874 -4.402 -0.157 1.00 0.00 N ATOM 0 H GLN A 32 7.358 -1.694 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 32 8.151 -4.288 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.140 -4.154 0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.137 -2.718 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.977 -1.853 0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.528 -1.645 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.562 -4.813 0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.065 -4.947 -0.456 1.00 0.00 H new ATOM 532 N LEU A 33 5.932 -4.159 -2.993 1.00 0.00 N ATOM 533 CA LEU A 33 5.188 -4.990 -3.924 1.00 0.00 C ATOM 534 C LEU A 33 6.141 -5.894 -4.701 1.00 0.00 C ATOM 535 O LEU A 33 5.952 -7.110 -4.739 1.00 0.00 O ATOM 536 CB LEU A 33 4.327 -4.114 -4.867 1.00 0.00 C ATOM 537 CG LEU A 33 3.481 -4.841 -5.947 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.270 -5.001 -7.237 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.986 -6.207 -5.452 1.00 0.00 C ATOM 0 H LEU A 33 5.971 -3.171 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 33 4.507 -5.630 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.650 -3.522 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.990 -3.414 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 33 2.608 -4.220 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.656 -5.513 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.552 -4.018 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.169 -5.586 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.398 -6.686 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.841 -6.836 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.367 -6.070 -4.565 1.00 0.00 H new ATOM 551 N LEU A 34 7.195 -5.313 -5.275 1.00 0.00 N ATOM 552 CA LEU A 34 8.158 -6.107 -6.040 1.00 0.00 C ATOM 553 C LEU A 34 8.904 -7.062 -5.110 1.00 0.00 C ATOM 554 O LEU A 34 9.386 -8.121 -5.525 1.00 0.00 O ATOM 555 CB LEU A 34 9.131 -5.202 -6.841 1.00 0.00 C ATOM 556 CG LEU A 34 10.005 -4.216 -6.042 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.258 -4.896 -5.501 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.379 -3.021 -6.906 1.00 0.00 C ATOM 0 H LEU A 34 7.402 -4.315 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 34 7.613 -6.703 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.793 -5.848 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.544 -4.627 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 34 9.422 -3.866 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.852 -4.173 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.971 -5.716 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.847 -5.286 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.996 -2.333 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.936 -3.363 -7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.473 -2.510 -7.231 1.00 0.00 H new ATOM 570 N TYR A 35 8.973 -6.670 -3.841 1.00 0.00 N ATOM 571 CA TYR A 35 9.614 -7.460 -2.811 1.00 0.00 C ATOM 572 C TYR A 35 8.804 -8.722 -2.529 1.00 0.00 C ATOM 573 O TYR A 35 9.312 -9.838 -2.639 1.00 0.00 O ATOM 574 CB TYR A 35 9.788 -6.640 -1.527 1.00 0.00 C ATOM 575 CG TYR A 35 10.413 -7.410 -0.379 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.783 -7.629 -0.329 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.632 -7.914 0.654 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.357 -8.327 0.717 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.197 -8.613 1.701 1.00 0.00 C ATOM 580 CZ TYR A 35 11.560 -8.817 1.729 1.00 0.00 C ATOM 581 OH TYR A 35 12.130 -9.508 2.778 1.00 0.00 O ATOM 0 H TYR A 35 8.582 -5.790 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 35 10.602 -7.751 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.407 -5.770 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.813 -6.267 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.411 -7.248 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.564 -7.756 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.425 -8.488 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.574 -8.998 2.495 1.00 0.00 H new ATOM 0 HH TYR A 35 11.431 -9.784 3.406 1.00 0.00 H new ATOM 591 N LEU A 36 7.531 -8.533 -2.168 1.00 0.00 N ATOM 592 CA LEU A 36 6.644 -9.642 -1.841 1.00 0.00 C ATOM 593 C LEU A 36 6.419 -10.562 -3.033 1.00 0.00 C ATOM 594 O LEU A 36 6.211 -11.762 -2.856 1.00 0.00 O ATOM 595 CB LEU A 36 5.309 -9.130 -1.294 1.00 0.00 C ATOM 596 CG LEU A 36 5.381 -8.384 0.044 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.005 -7.899 0.460 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.981 -9.276 1.127 1.00 0.00 C ATOM 0 H LEU A 36 7.094 -7.614 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 36 7.135 -10.229 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.864 -8.466 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.635 -9.979 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 36 6.028 -7.517 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.077 -7.372 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.612 -7.223 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.336 -8.752 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.023 -8.728 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.361 -10.164 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.988 -9.575 0.836 1.00 0.00 H new ATOM 610 N GLN A 37 6.456 -10.003 -4.248 1.00 0.00 N ATOM 611 CA GLN A 37 6.307 -10.816 -5.457 1.00 0.00 C ATOM 612 C GLN A 37 7.382 -11.902 -5.487 1.00 0.00 C ATOM 613 O GLN A 37 7.124 -13.043 -5.879 1.00 0.00 O ATOM 614 CB GLN A 37 6.409 -9.958 -6.719 1.00 0.00 C ATOM 615 CG GLN A 37 5.194 -9.083 -6.979 1.00 0.00 C ATOM 616 CD GLN A 37 5.353 -8.229 -8.218 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.466 -7.846 -8.583 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.253 -7.929 -8.878 1.00 0.00 N ATOM 0 H GLN A 37 6.586 -9.006 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 37 5.319 -11.276 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.291 -9.322 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.562 -10.612 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.312 -9.714 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.022 -8.439 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.350 -8.265 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.304 -7.361 -9.723 1.00 0.00 H new ATOM 627 N HIS A 38 8.584 -11.539 -5.044 1.00 0.00 N ATOM 628 CA HIS A 38 9.694 -12.478 -4.970 1.00 0.00 C ATOM 629 C HIS A 38 9.399 -13.575 -3.958 1.00 0.00 C ATOM 630 O HIS A 38 9.737 -14.744 -4.174 1.00 0.00 O ATOM 631 CB HIS A 38 10.984 -11.759 -4.591 1.00 0.00 C ATOM 632 CG HIS A 38 12.173 -12.648 -4.689 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.514 -13.544 -3.708 1.00 0.00 N ATOM 634 CD2 HIS A 38 13.067 -12.823 -5.684 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.555 -14.232 -4.098 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.915 -13.815 -5.290 1.00 0.00 N ATOM 0 H HIS A 38 8.812 -10.596 -4.730 1.00 0.00 H new ATOM 0 HA HIS A 38 9.820 -12.929 -5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 38 11.122 -10.897 -5.243 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.900 -11.378 -3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 38 12.032 -13.656 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.104 -12.280 -6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.039 -15.015 -3.533 1.00 0.00 H new ATOM 645 N GLN A 39 8.753 -13.210 -2.860 1.00 0.00 N ATOM 646 CA GLN A 39 8.448 -14.170 -1.829 1.00 0.00 C ATOM 647 C GLN A 39 7.344 -15.092 -2.271 1.00 0.00 C ATOM 648 O GLN A 39 7.382 -16.276 -1.999 1.00 0.00 O ATOM 649 CB GLN A 39 8.123 -13.484 -0.510 1.00 0.00 C ATOM 650 CG GLN A 39 9.319 -12.744 0.073 1.00 0.00 C ATOM 651 CD GLN A 39 10.572 -13.613 0.098 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.359 -13.626 -0.862 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.762 -14.346 1.176 1.00 0.00 N ATOM 0 H GLN A 39 8.435 -12.260 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 39 9.336 -14.778 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.304 -12.781 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.776 -14.228 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.512 -11.847 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.084 -12.417 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.092 -14.307 1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.579 -14.952 1.243 1.00 0.00 H new ATOM 662 N LEU A 40 6.338 -14.528 -2.942 1.00 0.00 N ATOM 663 CA LEU A 40 5.274 -15.315 -3.552 1.00 0.00 C ATOM 664 C LEU A 40 5.861 -16.394 -4.459 1.00 0.00 C ATOM 665 O LEU A 40 5.406 -17.539 -4.449 1.00 0.00 O ATOM 666 CB LEU A 40 4.336 -14.406 -4.356 1.00 0.00 C ATOM 667 CG LEU A 40 3.254 -15.116 -5.177 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.309 -15.894 -4.275 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.484 -14.111 -6.023 1.00 0.00 C ATOM 0 H LEU A 40 6.241 -13.521 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 40 4.704 -15.798 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.848 -13.719 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.940 -13.802 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 40 3.743 -15.827 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.551 -16.388 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.872 -16.642 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.826 -15.210 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.719 -14.631 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.010 -13.375 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.170 -13.606 -6.703 1.00 0.00 H new ATOM 681 N ASP A 41 6.869 -16.015 -5.251 1.00 0.00 N ATOM 682 CA ASP A 41 7.559 -16.952 -6.140 1.00 0.00 C ATOM 683 C ASP A 41 8.151 -18.107 -5.343 1.00 0.00 C ATOM 684 O ASP A 41 8.065 -19.273 -5.742 1.00 0.00 O ATOM 685 CB ASP A 41 8.666 -16.239 -6.912 1.00 0.00 C ATOM 686 CG ASP A 41 9.337 -17.141 -7.925 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.854 -17.208 -9.072 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.355 -17.781 -7.584 1.00 0.00 O ATOM 0 H ASP A 41 7.226 -15.060 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 41 6.830 -17.347 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.248 -15.372 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.413 -15.867 -6.210 1.00 0.00 H new ATOM 693 N GLU A 42 8.743 -17.766 -4.219 1.00 0.00 N ATOM 694 CA GLU A 42 9.324 -18.744 -3.322 1.00 0.00 C ATOM 695 C GLU A 42 8.212 -19.607 -2.701 1.00 0.00 C ATOM 696 O GLU A 42 8.292 -20.824 -2.682 1.00 0.00 O ATOM 697 CB GLU A 42 10.126 -18.018 -2.238 1.00 0.00 C ATOM 698 CG GLU A 42 10.817 -18.923 -1.238 1.00 0.00 C ATOM 699 CD GLU A 42 11.644 -18.136 -0.245 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.064 -17.539 0.673 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.884 -18.090 -0.399 1.00 0.00 O ATOM 0 H GLU A 42 8.836 -16.802 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 42 9.996 -19.402 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.878 -17.394 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.456 -17.350 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.071 -19.511 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.458 -19.627 -1.768 1.00 0.00 H new ATOM 708 N LEU A 43 7.179 -18.937 -2.220 1.00 0.00 N ATOM 709 CA LEU A 43 6.023 -19.566 -1.573 1.00 0.00 C ATOM 710 C LEU A 43 5.356 -20.628 -2.474 1.00 0.00 C ATOM 711 O LEU A 43 5.130 -21.748 -2.045 1.00 0.00 O ATOM 712 CB LEU A 43 5.002 -18.475 -1.185 1.00 0.00 C ATOM 713 CG LEU A 43 3.813 -18.886 -0.302 1.00 0.00 C ATOM 714 CD1 LEU A 43 3.211 -17.653 0.338 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.748 -19.609 -1.110 1.00 0.00 C ATOM 0 H LEU A 43 7.112 -17.920 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 43 6.375 -20.083 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.541 -17.679 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.604 -18.047 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 43 4.178 -19.567 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.368 -17.943 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.964 -17.156 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.868 -16.970 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.921 -19.886 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.382 -18.953 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.176 -20.508 -1.554 1.00 0.00 H new ATOM 727 N ASN A 44 5.054 -20.262 -3.718 1.00 0.00 N ATOM 728 CA ASN A 44 4.345 -21.186 -4.635 1.00 0.00 C ATOM 729 C ASN A 44 5.163 -22.434 -4.920 1.00 0.00 C ATOM 730 O ASN A 44 4.623 -23.508 -5.150 1.00 0.00 O ATOM 731 CB ASN A 44 3.889 -20.504 -5.935 1.00 0.00 C ATOM 732 CG ASN A 44 5.002 -20.143 -6.890 1.00 0.00 C ATOM 733 OD1 ASN A 44 5.358 -18.891 -6.918 1.00 0.00 O flip ATOM 734 ND2 ASN A 44 5.500 -20.981 -7.635 1.00 0.00 N flip ATOM 0 H ASN A 44 5.279 -19.352 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 44 3.439 -21.495 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.190 -21.164 -6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.341 -19.597 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.196 -21.953 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.218 -20.705 -8.305 1.00 0.00 H new ATOM 741 N GLU A 45 6.458 -22.279 -4.875 1.00 0.00 N ATOM 742 CA GLU A 45 7.373 -23.386 -5.095 1.00 0.00 C ATOM 743 C GLU A 45 7.605 -24.172 -3.793 1.00 0.00 C ATOM 744 O GLU A 45 7.622 -25.401 -3.787 1.00 0.00 O ATOM 745 CB GLU A 45 8.701 -22.848 -5.640 1.00 0.00 C ATOM 746 CG GLU A 45 9.782 -23.899 -5.817 1.00 0.00 C ATOM 747 CD GLU A 45 11.035 -23.339 -6.455 1.00 0.00 C ATOM 748 OE1 GLU A 45 11.817 -22.656 -5.748 1.00 0.00 O ATOM 749 OE2 GLU A 45 11.251 -23.580 -7.662 1.00 0.00 O ATOM 0 H GLU A 45 6.916 -21.388 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 45 6.934 -24.068 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.517 -22.369 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.070 -22.076 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.032 -24.326 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.397 -24.712 -6.433 1.00 0.00 H new ATOM 756 N ASN A 46 7.764 -23.447 -2.703 1.00 0.00 N ATOM 757 CA ASN A 46 8.056 -24.039 -1.397 1.00 0.00 C ATOM 758 C ASN A 46 6.806 -24.687 -0.757 1.00 0.00 C ATOM 759 O ASN A 46 6.929 -25.654 -0.002 1.00 0.00 O ATOM 760 CB ASN A 46 8.673 -22.977 -0.475 1.00 0.00 C ATOM 761 CG ASN A 46 9.295 -23.551 0.783 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.649 -24.730 0.841 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.474 -22.709 1.785 1.00 0.00 N ATOM 0 H ASN A 46 7.696 -22.429 -2.690 1.00 0.00 H new ATOM 0 HA ASN A 46 8.777 -24.844 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.434 -22.426 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.902 -22.260 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.919 -23.028 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.167 -21.740 1.698 1.00 0.00 H new ATOM 770 N LYS A 47 5.606 -24.155 -1.069 1.00 0.00 N ATOM 771 CA LYS A 47 4.310 -24.679 -0.551 1.00 0.00 C ATOM 772 C LYS A 47 4.224 -24.761 0.986 1.00 0.00 C ATOM 773 O LYS A 47 3.334 -25.418 1.522 1.00 0.00 O ATOM 774 CB LYS A 47 3.998 -26.044 -1.170 1.00 0.00 C ATOM 775 CG LYS A 47 3.663 -25.980 -2.661 1.00 0.00 C ATOM 776 CD LYS A 47 2.383 -25.179 -2.932 1.00 0.00 C ATOM 777 CE LYS A 47 2.056 -25.130 -4.416 1.00 0.00 C ATOM 778 NZ LYS A 47 1.861 -26.480 -5.000 1.00 0.00 N ATOM 0 H LYS A 47 5.500 -23.350 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 47 3.559 -23.949 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.855 -26.702 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.159 -26.492 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.495 -25.526 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.546 -26.992 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.551 -25.628 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.501 -24.164 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.153 -24.539 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.862 -24.621 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.430 -26.392 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.781 -26.958 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.235 -27.038 -4.384 1.00 0.00 H new ATOM 792 N SER A 48 5.123 -24.092 1.682 1.00 0.00 N ATOM 793 CA SER A 48 5.126 -24.097 3.139 1.00 0.00 C ATOM 794 C SER A 48 3.922 -23.339 3.722 1.00 0.00 C ATOM 795 O SER A 48 3.715 -22.159 3.431 1.00 0.00 O ATOM 796 CB SER A 48 6.430 -23.508 3.638 1.00 0.00 C ATOM 797 OG SER A 48 7.524 -24.318 3.236 1.00 0.00 O ATOM 0 H SER A 48 5.866 -23.534 1.262 1.00 0.00 H new ATOM 0 HA SER A 48 5.038 -25.129 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.554 -22.498 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.408 -23.428 4.725 1.00 0.00 H new ATOM 0 HG SER A 48 8.338 -24.019 3.693 1.00 0.00 H new ATOM 803 N LYS A 49 3.149 -24.034 4.551 1.00 0.00 N ATOM 804 CA LYS A 49 1.958 -23.479 5.205 1.00 0.00 C ATOM 805 C LYS A 49 2.301 -22.288 6.122 1.00 0.00 C ATOM 806 O LYS A 49 1.629 -21.262 6.090 1.00 0.00 O ATOM 807 CB LYS A 49 1.277 -24.594 6.010 1.00 0.00 C ATOM 808 CG LYS A 49 2.235 -25.326 6.932 1.00 0.00 C ATOM 809 CD LYS A 49 1.702 -26.667 7.336 1.00 0.00 C ATOM 810 CE LYS A 49 2.788 -27.508 7.982 1.00 0.00 C ATOM 811 NZ LYS A 49 3.274 -26.924 9.262 1.00 0.00 N ATOM 0 H LYS A 49 3.330 -25.008 4.793 1.00 0.00 H new ATOM 0 HA LYS A 49 1.285 -23.100 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.467 -24.166 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.826 -25.309 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.196 -25.452 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.415 -24.723 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.873 -26.539 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.307 -27.185 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.405 -28.512 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.625 -27.608 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.509 -27.689 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.122 -26.349 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.531 -26.324 9.674 1.00 0.00 H new ATOM 825 N GLU A 50 3.337 -22.439 6.939 1.00 0.00 N ATOM 826 CA GLU A 50 3.757 -21.372 7.850 1.00 0.00 C ATOM 827 C GLU A 50 4.220 -20.140 7.077 1.00 0.00 C ATOM 828 O GLU A 50 3.899 -19.004 7.454 1.00 0.00 O ATOM 829 CB GLU A 50 4.855 -21.868 8.785 1.00 0.00 C ATOM 830 CG GLU A 50 4.380 -22.936 9.756 1.00 0.00 C ATOM 831 CD GLU A 50 5.381 -24.049 9.929 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.353 -23.879 10.700 1.00 0.00 O ATOM 833 OE2 GLU A 50 5.203 -25.106 9.299 1.00 0.00 O ATOM 0 H GLU A 50 3.903 -23.286 6.992 1.00 0.00 H new ATOM 0 HA GLU A 50 2.896 -21.084 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.676 -22.267 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.251 -21.024 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.181 -22.478 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.438 -23.352 9.400 1.00 0.00 H new ATOM 840 N LEU A 51 4.976 -20.360 6.008 1.00 0.00 N ATOM 841 CA LEU A 51 5.409 -19.269 5.139 1.00 0.00 C ATOM 842 C LEU A 51 4.184 -18.579 4.543 1.00 0.00 C ATOM 843 O LEU A 51 4.127 -17.351 4.456 1.00 0.00 O ATOM 844 CB LEU A 51 6.306 -19.817 4.015 1.00 0.00 C ATOM 845 CG LEU A 51 6.933 -18.780 3.085 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.914 -17.904 3.845 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.619 -19.459 1.913 1.00 0.00 C ATOM 0 H LEU A 51 5.302 -21.283 5.721 1.00 0.00 H new ATOM 0 HA LEU A 51 5.981 -18.547 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.108 -20.398 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.716 -20.506 3.411 1.00 0.00 H new ATOM 0 HG LEU A 51 6.138 -18.144 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.350 -17.172 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.392 -17.386 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.705 -18.524 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.059 -18.704 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.402 -20.120 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.888 -20.041 1.351 1.00 0.00 H new ATOM 859 N GLN A 52 3.208 -19.392 4.160 1.00 0.00 N ATOM 860 CA GLN A 52 1.941 -18.908 3.622 1.00 0.00 C ATOM 861 C GLN A 52 1.293 -17.913 4.584 1.00 0.00 C ATOM 862 O GLN A 52 0.920 -16.797 4.199 1.00 0.00 O ATOM 863 CB GLN A 52 0.995 -20.100 3.406 1.00 0.00 C ATOM 864 CG GLN A 52 -0.426 -19.738 3.021 1.00 0.00 C ATOM 865 CD GLN A 52 -0.562 -19.400 1.564 1.00 0.00 C ATOM 866 OE1 GLN A 52 0.365 -18.908 0.943 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.718 -19.663 1.011 1.00 0.00 N ATOM 0 H GLN A 52 3.272 -20.409 4.213 1.00 0.00 H new ATOM 0 HA GLN A 52 2.130 -18.404 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.413 -20.738 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.967 -20.691 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.087 -20.571 3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.755 -18.889 3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.467 -20.075 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.870 -19.456 0.024 1.00 0.00 H new ATOM 876 N GLU A 53 1.190 -18.321 5.840 1.00 0.00 N ATOM 877 CA GLU A 53 0.569 -17.515 6.877 1.00 0.00 C ATOM 878 C GLU A 53 1.275 -16.168 7.058 1.00 0.00 C ATOM 879 O GLU A 53 0.623 -15.137 7.180 1.00 0.00 O ATOM 880 CB GLU A 53 0.550 -18.294 8.196 1.00 0.00 C ATOM 881 CG GLU A 53 -0.247 -19.590 8.139 1.00 0.00 C ATOM 882 CD GLU A 53 -0.287 -20.306 9.472 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.094 -19.908 10.340 1.00 0.00 O ATOM 884 OE2 GLU A 53 0.491 -21.258 9.671 1.00 0.00 O ATOM 0 H GLU A 53 1.536 -19.223 6.168 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.454 -17.300 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.576 -18.523 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.133 -17.657 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.265 -19.372 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.191 -20.249 7.389 1.00 0.00 H new ATOM 891 N LYS A 54 2.598 -16.181 7.079 1.00 0.00 N ATOM 892 CA LYS A 54 3.364 -14.946 7.274 1.00 0.00 C ATOM 893 C LYS A 54 3.248 -14.001 6.066 1.00 0.00 C ATOM 894 O LYS A 54 3.055 -12.796 6.239 1.00 0.00 O ATOM 895 CB LYS A 54 4.844 -15.251 7.550 1.00 0.00 C ATOM 896 CG LYS A 54 5.092 -16.283 8.647 1.00 0.00 C ATOM 897 CD LYS A 54 4.439 -15.891 9.965 1.00 0.00 C ATOM 898 CE LYS A 54 4.810 -16.863 11.082 1.00 0.00 C ATOM 899 NZ LYS A 54 4.492 -18.273 10.730 1.00 0.00 N ATOM 0 H LYS A 54 3.166 -17.021 6.965 1.00 0.00 H new ATOM 0 HA LYS A 54 2.935 -14.445 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.306 -15.604 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.347 -14.323 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.707 -17.251 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.165 -16.401 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.749 -14.883 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.356 -15.870 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.875 -16.776 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.276 -16.589 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.617 -18.877 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.507 -18.335 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.130 -18.594 9.974 1.00 0.00 H new ATOM 913 N ILE A 55 3.368 -14.551 4.854 1.00 0.00 N ATOM 914 CA ILE A 55 3.289 -13.729 3.632 1.00 0.00 C ATOM 915 C ILE A 55 1.961 -12.970 3.562 1.00 0.00 C ATOM 916 O ILE A 55 1.942 -11.752 3.354 1.00 0.00 O ATOM 917 CB ILE A 55 3.520 -14.562 2.317 1.00 0.00 C ATOM 918 CG1 ILE A 55 5.002 -14.540 1.904 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.662 -14.044 1.166 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.937 -15.214 2.869 1.00 0.00 C ATOM 0 H ILE A 55 3.518 -15.546 4.688 1.00 0.00 H new ATOM 0 HA ILE A 55 4.103 -13.007 3.696 1.00 0.00 H new ATOM 0 HB ILE A 55 3.224 -15.588 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.100 -15.020 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.315 -13.503 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.848 -14.643 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.609 -14.114 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.915 -13.004 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.958 -15.148 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.875 -14.722 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.657 -16.262 2.975 1.00 0.00 H new ATOM 932 N ILE A 56 0.856 -13.683 3.762 1.00 0.00 N ATOM 933 CA ILE A 56 -0.458 -13.057 3.734 1.00 0.00 C ATOM 934 C ILE A 56 -0.621 -12.107 4.898 1.00 0.00 C ATOM 935 O ILE A 56 -1.304 -11.087 4.794 1.00 0.00 O ATOM 936 CB ILE A 56 -1.619 -14.101 3.697 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.966 -13.400 3.480 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.650 -14.940 4.969 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.135 -14.352 3.321 1.00 0.00 C ATOM 0 H ILE A 56 0.846 -14.687 3.944 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.520 -12.488 2.806 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.438 -14.773 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.161 -12.739 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.899 -12.771 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.469 -15.657 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.706 -15.475 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.797 -14.289 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.051 -13.781 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.965 -14.997 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.231 -14.964 4.218 1.00 0.00 H new ATOM 951 N ARG A 57 0.031 -12.418 5.990 1.00 0.00 N ATOM 952 CA ARG A 57 -0.065 -11.612 7.162 1.00 0.00 C ATOM 953 C ARG A 57 0.568 -10.240 6.954 1.00 0.00 C ATOM 954 O ARG A 57 -0.077 -9.216 7.191 1.00 0.00 O ATOM 955 CB ARG A 57 0.571 -12.322 8.350 1.00 0.00 C ATOM 956 CG ARG A 57 0.278 -11.648 9.656 1.00 0.00 C ATOM 957 CD ARG A 57 -1.211 -11.607 9.889 1.00 0.00 C ATOM 958 NE ARG A 57 -1.583 -10.682 10.959 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.280 -9.552 10.770 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.676 -9.202 9.547 1.00 0.00 N ATOM 961 NH2 ARG A 57 -2.576 -8.774 11.801 1.00 0.00 N ATOM 0 H ARG A 57 0.637 -13.233 6.083 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.123 -11.457 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.211 -13.350 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.650 -12.368 8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.768 -12.183 10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.682 -10.636 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.712 -11.312 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.565 -12.607 10.138 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.294 -10.911 11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.449 -9.795 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.206 -8.341 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.274 -9.034 12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.106 -7.915 11.656 1.00 0.00 H new ATOM 975 N GLU A 58 1.809 -10.213 6.499 1.00 0.00 N ATOM 976 CA GLU A 58 2.486 -8.945 6.282 1.00 0.00 C ATOM 977 C GLU A 58 1.845 -8.170 5.140 1.00 0.00 C ATOM 978 O GLU A 58 1.804 -6.939 5.162 1.00 0.00 O ATOM 979 CB GLU A 58 3.985 -9.129 6.047 1.00 0.00 C ATOM 980 CG GLU A 58 4.725 -9.687 7.252 1.00 0.00 C ATOM 981 CD GLU A 58 6.225 -9.571 7.119 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.778 -8.501 7.473 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.868 -10.543 6.670 1.00 0.00 O ATOM 0 H GLU A 58 2.362 -11.041 6.275 1.00 0.00 H new ATOM 0 HA GLU A 58 2.373 -8.360 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.132 -9.798 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.422 -8.168 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.402 -9.158 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.456 -10.735 7.385 1.00 0.00 H new ATOM 990 N LEU A 59 1.320 -8.891 4.155 1.00 0.00 N ATOM 991 CA LEU A 59 0.644 -8.272 3.029 1.00 0.00 C ATOM 992 C LEU A 59 -0.602 -7.527 3.512 1.00 0.00 C ATOM 993 O LEU A 59 -0.859 -6.389 3.109 1.00 0.00 O ATOM 994 CB LEU A 59 0.274 -9.334 1.985 1.00 0.00 C ATOM 995 CG LEU A 59 -0.464 -8.837 0.737 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.330 -7.744 0.034 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.717 -9.992 -0.211 1.00 0.00 C ATOM 0 H LEU A 59 1.352 -9.910 4.117 1.00 0.00 H new ATOM 0 HA LEU A 59 1.316 -7.553 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.190 -9.831 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.345 -10.088 2.470 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.420 -8.416 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.215 -7.408 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.473 -6.904 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.301 -8.136 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.242 -9.629 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.234 -10.433 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.326 -10.746 0.288 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.360 -8.181 4.389 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.576 -7.608 4.967 1.00 0.00 C ATOM 1011 C ASP A 60 -2.273 -6.319 5.731 1.00 0.00 C ATOM 1012 O ASP A 60 -2.999 -5.329 5.613 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.250 -8.626 5.892 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.471 -8.070 6.597 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.523 -7.914 5.944 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.387 -7.807 7.815 1.00 0.00 O ATOM 0 H ASP A 60 -1.150 -9.123 4.720 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.255 -7.363 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.541 -9.501 5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.530 -8.964 6.637 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.202 -6.334 6.509 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.793 -5.155 7.273 1.00 0.00 C ATOM 1023 C VAL A 61 -0.433 -3.981 6.347 1.00 0.00 C ATOM 1024 O VAL A 61 -0.895 -2.852 6.544 1.00 0.00 O ATOM 1025 CB VAL A 61 0.418 -5.473 8.183 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.847 -4.244 8.970 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.096 -6.623 9.125 1.00 0.00 C ATOM 0 H VAL A 61 -0.598 -7.146 6.631 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.643 -4.869 7.892 1.00 0.00 H new ATOM 0 HB VAL A 61 1.248 -5.773 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.699 -4.495 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.129 -3.450 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.021 -3.905 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.961 -6.830 9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.754 -6.353 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.150 -7.512 8.544 1.00 0.00 H new ATOM 1037 N VAL A 62 0.380 -4.261 5.336 1.00 0.00 N ATOM 1038 CA VAL A 62 0.835 -3.232 4.402 1.00 0.00 C ATOM 1039 C VAL A 62 -0.319 -2.659 3.577 1.00 0.00 C ATOM 1040 O VAL A 62 -0.415 -1.442 3.403 1.00 0.00 O ATOM 1041 CB VAL A 62 1.932 -3.769 3.448 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.357 -2.697 2.456 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.134 -4.260 4.240 1.00 0.00 C ATOM 0 H VAL A 62 0.740 -5.195 5.139 1.00 0.00 H new ATOM 0 HA VAL A 62 1.258 -2.434 5.012 1.00 0.00 H new ATOM 0 HB VAL A 62 1.515 -4.608 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.128 -3.096 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.496 -2.388 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.752 -1.837 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.894 -4.633 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.546 -3.437 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.825 -5.062 4.910 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.212 -3.512 3.103 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.321 -3.029 2.292 1.00 0.00 C ATOM 1055 C CYS A 63 -3.254 -2.155 3.126 1.00 0.00 C ATOM 1056 O CYS A 63 -3.835 -1.198 2.626 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.076 -4.180 1.607 1.00 0.00 C ATOM 1058 SG CYS A 63 -3.727 -5.436 2.718 1.00 0.00 S ATOM 0 H CYS A 63 -1.195 -4.520 3.260 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.907 -2.413 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.903 -3.761 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.405 -4.660 0.894 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.511 -5.080 3.950 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.367 -2.476 4.415 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.186 -1.705 5.339 1.00 0.00 C ATOM 1066 C ALA A 64 -3.627 -0.304 5.539 1.00 0.00 C ATOM 1067 O ALA A 64 -4.349 0.682 5.385 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.268 -2.425 6.673 1.00 0.00 C ATOM 0 H ALA A 64 -2.895 -3.273 4.842 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.184 -1.610 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.882 -1.845 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.715 -3.409 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.266 -2.539 7.087 1.00 0.00 H new ATOM 1074 N MET A 65 -2.343 -0.208 5.868 1.00 0.00 N ATOM 1075 CA MET A 65 -1.731 1.096 6.113 1.00 0.00 C ATOM 1076 C MET A 65 -1.758 1.959 4.848 1.00 0.00 C ATOM 1077 O MET A 65 -1.992 3.168 4.913 1.00 0.00 O ATOM 1078 CB MET A 65 -0.292 0.952 6.644 1.00 0.00 C ATOM 1079 CG MET A 65 0.717 0.497 5.605 1.00 0.00 C ATOM 1080 SD MET A 65 2.382 0.316 6.264 1.00 0.00 S ATOM 1081 CE MET A 65 2.142 -1.055 7.382 1.00 0.00 C ATOM 0 H MET A 65 -1.713 -1.003 5.970 1.00 0.00 H new ATOM 0 HA MET A 65 -2.320 1.596 6.882 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.030 1.911 7.050 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.292 0.240 7.469 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.393 -0.456 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.734 1.215 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.165 -0.694 8.410 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.178 -1.522 7.183 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.937 -1.787 7.236 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.544 1.325 3.698 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.557 2.026 2.422 1.00 0.00 C ATOM 1093 C ILE A 66 -2.947 2.580 2.105 1.00 0.00 C ATOM 1094 O ILE A 66 -3.082 3.744 1.735 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.037 1.119 1.251 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.457 1.364 0.994 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.830 1.337 -0.038 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.356 1.076 2.179 1.00 0.00 C ATOM 0 H ILE A 66 -1.359 0.324 3.626 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.871 2.868 2.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.182 0.084 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.774 0.745 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.595 2.403 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.436 0.689 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.879 1.099 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.740 2.378 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.392 1.276 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.071 1.714 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.253 0.030 2.468 1.00 0.00 H new ATOM 1110 N GLU A 67 -3.981 1.760 2.289 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.339 2.182 1.978 1.00 0.00 C ATOM 1112 C GLU A 67 -5.833 3.244 2.947 1.00 0.00 C ATOM 1113 O GLU A 67 -6.557 4.164 2.556 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.295 0.991 1.941 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.034 0.045 0.782 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.143 -0.961 0.585 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.095 -0.655 -0.160 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.072 -2.062 1.167 1.00 0.00 O ATOM 0 H GLU A 67 -3.902 0.809 2.649 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.318 2.628 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.212 0.439 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.319 1.358 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.909 0.625 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.097 -0.484 0.955 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.429 3.126 4.211 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.842 4.083 5.215 1.00 0.00 C ATOM 1127 C GLY A 68 -5.285 5.466 4.953 1.00 0.00 C ATOM 1128 O GLY A 68 -6.019 6.459 4.961 1.00 0.00 O ATOM 0 H GLY A 68 -4.822 2.382 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.931 4.131 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.514 3.741 6.197 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.984 5.522 4.685 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.312 6.781 4.410 1.00 0.00 C ATOM 1134 C ALA A 69 -3.771 7.342 3.075 1.00 0.00 C ATOM 1135 O ALA A 69 -3.952 8.554 2.933 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.801 6.591 4.420 1.00 0.00 C ATOM 0 H ALA A 69 -3.375 4.705 4.653 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.573 7.493 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.313 7.543 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.486 6.228 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.520 5.866 3.656 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.977 6.454 2.105 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.422 6.852 0.775 1.00 0.00 C ATOM 1144 C GLN A 70 -5.772 7.557 0.873 1.00 0.00 C ATOM 1145 O GLN A 70 -5.988 8.603 0.279 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.560 5.629 -0.132 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.424 5.925 -1.609 1.00 0.00 C ATOM 1148 CD GLN A 70 -4.841 4.751 -2.467 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.035 3.892 -2.803 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.105 4.709 -2.825 1.00 0.00 N ATOM 0 H GLN A 70 -3.842 5.449 2.218 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.680 7.529 0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.804 4.896 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.532 5.169 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.034 6.792 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.390 6.187 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.745 5.444 -2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.446 3.941 -3.403 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.655 6.970 1.667 1.00 0.00 N ATOM 1160 CA GLY A 71 -7.994 7.502 1.834 1.00 0.00 C ATOM 1161 C GLY A 71 -8.015 8.823 2.585 1.00 0.00 C ATOM 1162 O GLY A 71 -8.726 9.765 2.201 1.00 0.00 O ATOM 0 H GLY A 71 -6.466 6.124 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.450 7.640 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.604 6.775 2.370 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.216 8.890 3.643 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.157 10.065 4.499 1.00 0.00 C ATOM 1168 C ALA A 72 -6.599 11.258 3.741 1.00 0.00 C ATOM 1169 O ALA A 72 -7.221 12.334 3.688 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.311 9.776 5.732 1.00 0.00 C ATOM 0 H ALA A 72 -6.594 8.134 3.930 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.170 10.309 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.275 10.663 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.752 8.950 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.300 9.508 5.425 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.423 11.065 3.161 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.757 12.103 2.407 1.00 0.00 C ATOM 1178 C LEU A 73 -5.606 12.562 1.228 1.00 0.00 C ATOM 1179 O LEU A 73 -5.677 13.748 0.949 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.398 11.606 1.920 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.506 12.650 1.257 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.086 13.718 2.257 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.296 11.988 0.638 1.00 0.00 C ATOM 0 H LEU A 73 -4.909 10.185 3.203 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.610 12.959 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.861 11.184 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.562 10.794 1.212 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.076 13.138 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.450 14.451 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.972 14.214 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.534 13.254 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.668 12.745 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.727 11.474 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.620 11.268 -0.113 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.259 11.610 0.554 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.124 11.913 -0.591 1.00 0.00 C ATOM 1197 C GLU A 74 -8.181 12.946 -0.217 1.00 0.00 C ATOM 1198 O GLU A 74 -8.322 13.970 -0.874 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.792 10.634 -1.088 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.402 10.243 -2.502 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.874 11.245 -3.538 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.069 11.214 -3.905 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.063 12.057 -3.997 1.00 0.00 O ATOM 0 H GLU A 74 -6.204 10.618 0.783 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.508 12.331 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.537 9.817 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.874 10.760 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.318 10.148 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.821 9.264 -2.732 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.898 12.668 0.860 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.947 13.560 1.351 1.00 0.00 C ATOM 1212 C ARG A 75 -9.382 14.954 1.641 1.00 0.00 C ATOM 1213 O ARG A 75 -10.003 15.970 1.317 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.562 12.968 2.624 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.651 13.819 3.254 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.165 13.191 4.541 1.00 0.00 C ATOM 1217 NE ARG A 75 -11.114 13.086 5.565 1.00 0.00 N ATOM 1218 CZ ARG A 75 -11.271 12.501 6.761 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -12.442 11.974 7.101 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -10.251 12.446 7.609 1.00 0.00 N ATOM 0 H ARG A 75 -8.774 11.824 1.419 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.715 13.657 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.975 11.987 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.770 12.814 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.262 14.816 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.475 13.939 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.991 13.787 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.561 12.199 4.326 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.201 13.487 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.227 12.013 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.556 11.530 8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.350 12.848 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.368 12.001 8.520 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.209 14.990 2.235 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.563 16.245 2.590 1.00 0.00 C ATOM 1236 C GLU A 76 -7.076 17.006 1.348 1.00 0.00 C ATOM 1237 O GLU A 76 -7.461 18.160 1.135 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.398 15.954 3.533 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.595 17.168 3.948 1.00 0.00 C ATOM 1240 CD GLU A 76 -4.521 16.812 4.944 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -3.530 16.167 4.553 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -4.670 17.160 6.131 1.00 0.00 O ATOM 0 H GLU A 76 -7.675 14.158 2.486 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.292 16.884 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.787 15.470 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.729 15.241 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.139 17.621 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.261 17.914 4.382 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.249 16.364 0.528 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.702 17.011 -0.667 1.00 0.00 C ATOM 1251 C LEU A 77 -6.789 17.459 -1.636 1.00 0.00 C ATOM 1252 O LEU A 77 -6.577 18.368 -2.437 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.648 16.111 -1.374 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.097 14.714 -1.854 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.986 14.803 -3.082 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.885 13.847 -2.152 1.00 0.00 C ATOM 0 H LEU A 77 -5.942 15.401 0.665 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.193 17.913 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.269 16.656 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.810 15.976 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.679 14.260 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.282 13.800 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.875 15.387 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.440 15.285 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.215 12.864 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.285 14.316 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.285 13.738 -1.249 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.957 16.835 -1.550 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.057 17.156 -2.439 1.00 0.00 C ATOM 1270 C LYS A 78 -9.636 18.546 -2.162 1.00 0.00 C ATOM 1271 O LYS A 78 -10.451 19.048 -2.938 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.154 16.102 -2.368 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.947 14.935 -3.335 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.949 15.410 -4.785 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.777 14.255 -5.764 1.00 0.00 C ATOM 1276 NZ LYS A 78 -8.465 13.573 -5.615 1.00 0.00 N ATOM 0 H LYS A 78 -8.163 16.103 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.648 17.163 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.208 15.714 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.113 16.573 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.002 14.440 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.735 14.196 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.885 15.928 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.146 16.132 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.578 13.532 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.875 14.629 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.456 12.707 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.705 14.208 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.314 13.325 -4.616 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.235 19.147 -1.039 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.748 20.456 -0.644 1.00 0.00 C ATOM 1292 C ARG A 79 -9.511 21.492 -1.738 1.00 0.00 C ATOM 1293 O ARG A 79 -10.426 22.213 -2.130 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.101 20.923 0.661 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.718 22.193 1.223 1.00 0.00 C ATOM 1296 CD ARG A 79 -8.940 22.715 2.417 1.00 0.00 C ATOM 1297 NE ARG A 79 -9.570 23.900 2.999 1.00 0.00 N ATOM 1298 CZ ARG A 79 -9.312 25.159 2.624 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -8.447 25.404 1.642 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -9.928 26.170 3.222 1.00 0.00 N ATOM 0 H ARG A 79 -8.558 18.747 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.822 20.354 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.184 20.129 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.037 21.090 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.748 22.957 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.749 21.997 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.867 21.933 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.923 22.958 2.110 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.254 23.757 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.977 24.631 1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.254 26.365 1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.599 25.989 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.731 27.129 2.935 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.835 22.045 -12.249 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.771 21.104 -11.914 1.00 0.00 C ATOM 1394 C LEU A 85 -1.273 20.112 -10.879 1.00 0.00 C ATOM 1395 O LEU A 85 -1.045 18.911 -11.003 1.00 0.00 O ATOM 1396 CB LEU A 85 0.476 21.862 -11.390 1.00 0.00 C ATOM 1397 CG LEU A 85 1.803 21.060 -11.271 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.780 20.080 -10.099 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.111 20.329 -12.571 1.00 0.00 C ATOM 0 HA LEU A 85 -0.481 20.558 -12.812 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.654 22.713 -12.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.236 22.265 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 85 2.597 21.782 -11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.727 19.543 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.631 20.629 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.965 19.369 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.044 19.775 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.301 19.636 -12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.209 21.052 -13.381 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.977 20.621 -9.872 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.503 19.777 -8.818 1.00 0.00 C ATOM 1413 C GLU A 86 -3.457 18.746 -9.387 1.00 0.00 C ATOM 1414 O GLU A 86 -3.424 17.595 -8.990 1.00 0.00 O ATOM 1415 CB GLU A 86 -3.187 20.602 -7.725 1.00 0.00 C ATOM 1416 CG GLU A 86 -2.286 21.653 -7.086 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.905 21.132 -6.766 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -0.766 20.308 -5.842 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.056 21.549 -7.453 1.00 0.00 O ATOM 0 H GLU A 86 -2.193 21.612 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.662 19.257 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.060 21.097 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.549 19.928 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.199 22.506 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.753 22.015 -6.170 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.295 19.155 -10.346 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.223 18.234 -10.992 1.00 0.00 C ATOM 1428 C ARG A 87 -4.466 17.084 -11.623 1.00 0.00 C ATOM 1429 O ARG A 87 -4.758 15.911 -11.382 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.017 18.957 -12.078 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.897 20.073 -11.564 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.533 20.843 -12.706 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.422 20.006 -13.513 1.00 0.00 N ATOM 1434 CZ ARG A 87 -9.475 20.468 -14.190 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.803 21.754 -14.120 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.206 19.640 -14.921 1.00 0.00 N ATOM 0 H ARG A 87 -4.346 20.115 -10.688 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.906 17.851 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.320 19.367 -12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.639 18.231 -12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.676 19.659 -10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.306 20.752 -10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.096 21.685 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.751 21.257 -13.342 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.224 19.007 -13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.249 22.391 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.609 22.104 -14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.964 18.650 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.011 19.992 -15.439 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.474 17.449 -12.424 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.629 16.499 -13.127 1.00 0.00 C ATOM 1452 C PHE A 88 -1.898 15.592 -12.145 1.00 0.00 C ATOM 1453 O PHE A 88 -1.813 14.374 -12.346 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.620 17.265 -13.999 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.577 16.401 -14.643 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -0.873 15.667 -15.773 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.705 16.330 -14.117 1.00 0.00 C ATOM 1458 CE1 PHE A 88 0.086 14.877 -16.369 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.667 15.539 -14.709 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.358 14.812 -15.837 1.00 0.00 C ATOM 0 H PHE A 88 -3.233 18.423 -12.604 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.255 15.871 -13.761 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.164 17.799 -14.778 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.124 18.016 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.866 15.712 -16.195 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.952 16.901 -13.234 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.158 14.308 -17.254 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.661 15.490 -14.289 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.109 14.192 -16.304 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.385 16.187 -11.079 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.643 15.451 -10.073 1.00 0.00 C ATOM 1472 C ASN A 89 -1.556 14.448 -9.372 1.00 0.00 C ATOM 1473 O ASN A 89 -1.210 13.273 -9.236 1.00 0.00 O ATOM 1474 CB ASN A 89 -0.035 16.418 -9.050 1.00 0.00 C ATOM 1475 CG ASN A 89 1.303 15.940 -8.503 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.138 16.741 -8.096 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.523 14.638 -8.504 1.00 0.00 N ATOM 0 H ASN A 89 -1.471 17.186 -10.890 1.00 0.00 H new ATOM 0 HA ASN A 89 0.164 14.906 -10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.097 17.395 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -0.733 16.550 -8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.410 14.270 -8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.806 14.000 -8.850 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.711 14.930 -8.917 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.723 14.090 -8.264 1.00 0.00 C ATOM 1486 C TYR A 90 -4.121 12.930 -9.158 1.00 0.00 C ATOM 1487 O TYR A 90 -4.147 11.776 -8.725 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.967 14.925 -7.918 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.763 15.978 -6.849 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.516 16.199 -6.281 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.826 16.751 -6.408 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.334 17.156 -5.310 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.653 17.713 -5.438 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.402 17.912 -4.890 1.00 0.00 C ATOM 1495 OH TYR A 90 -4.223 18.870 -3.921 1.00 0.00 O ATOM 0 H TYR A 90 -2.975 15.913 -8.989 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.290 13.692 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.319 15.416 -8.826 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.759 14.250 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.673 15.608 -6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.807 16.596 -6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.356 17.313 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.491 18.308 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.966 18.833 -3.283 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.438 13.251 -10.407 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.837 12.265 -11.396 1.00 0.00 C ATOM 1507 C GLU A 91 -3.783 11.171 -11.546 1.00 0.00 C ATOM 1508 O GLU A 91 -4.097 9.983 -11.487 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.064 12.959 -12.741 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.407 12.646 -13.380 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.612 11.169 -13.622 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -6.191 10.672 -14.683 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.204 10.494 -12.752 1.00 0.00 O ATOM 0 H GLU A 91 -4.424 14.208 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.761 11.795 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.983 14.037 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.270 12.666 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.205 13.018 -12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.486 13.179 -14.328 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.533 11.575 -11.714 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.452 10.625 -11.921 1.00 0.00 C ATOM 1522 C GLU A 92 -1.178 9.794 -10.674 1.00 0.00 C ATOM 1523 O GLU A 92 -0.951 8.584 -10.764 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.178 11.332 -12.384 1.00 0.00 C ATOM 1525 CG GLU A 92 0.946 10.377 -12.758 1.00 0.00 C ATOM 1526 CD GLU A 92 2.150 11.088 -13.321 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.018 11.731 -14.375 1.00 0.00 O ATOM 1528 OE2 GLU A 92 3.241 11.007 -12.711 1.00 0.00 O ATOM 0 H GLU A 92 -2.243 12.553 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.774 9.943 -12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.412 11.959 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.168 11.995 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.244 9.810 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.578 9.658 -13.490 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.219 10.436 -9.509 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.941 9.755 -8.255 1.00 0.00 C ATOM 1537 C ALA A 93 -1.965 8.664 -8.003 1.00 0.00 C ATOM 1538 O ALA A 93 -1.611 7.534 -7.671 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.925 10.748 -7.102 1.00 0.00 C ATOM 0 H ALA A 93 -1.442 11.426 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 93 0.043 9.292 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.716 10.221 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.152 11.497 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.896 11.239 -7.031 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.239 9.010 -8.191 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.331 8.072 -7.981 1.00 0.00 C ATOM 1547 C GLN A 94 -4.255 6.937 -9.002 1.00 0.00 C ATOM 1548 O GLN A 94 -4.646 5.803 -8.724 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.677 8.792 -8.078 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.858 7.962 -7.597 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.771 7.619 -6.120 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -6.218 6.591 -5.734 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.319 8.477 -5.288 1.00 0.00 N ATOM 0 H GLN A 94 -3.536 9.939 -8.490 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.240 7.646 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.629 9.711 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.848 9.083 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.782 8.509 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.910 7.041 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.769 9.319 -5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.294 8.300 -4.284 1.00 0.00 H new ATOM 1562 N THR A 95 -3.769 7.256 -10.187 1.00 0.00 N ATOM 1563 CA THR A 95 -3.571 6.251 -11.203 1.00 0.00 C ATOM 1564 C THR A 95 -2.568 5.195 -10.730 1.00 0.00 C ATOM 1565 O THR A 95 -2.833 3.989 -10.816 1.00 0.00 O ATOM 1566 CB THR A 95 -3.090 6.874 -12.530 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.061 7.833 -12.987 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.902 5.800 -13.594 1.00 0.00 C ATOM 0 H THR A 95 -3.506 8.202 -10.465 1.00 0.00 H new ATOM 0 HA THR A 95 -4.535 5.774 -11.381 1.00 0.00 H new ATOM 0 HB THR A 95 -2.132 7.365 -12.357 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.948 8.673 -12.495 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.563 6.262 -14.521 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.159 5.078 -13.255 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.850 5.291 -13.768 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.436 5.644 -10.182 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.407 4.730 -9.730 1.00 0.00 C ATOM 1578 C LEU A 96 -0.862 3.933 -8.516 1.00 0.00 C ATOM 1579 O LEU A 96 -0.555 2.744 -8.397 1.00 0.00 O ATOM 1580 CB LEU A 96 0.889 5.478 -9.401 1.00 0.00 C ATOM 1581 CG LEU A 96 1.510 6.279 -10.552 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.741 7.032 -10.077 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.863 5.363 -11.717 1.00 0.00 C ATOM 0 H LEU A 96 -1.218 6.631 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.216 4.035 -10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.692 6.160 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.624 4.754 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 96 0.774 7.005 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.167 7.594 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.461 7.720 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.479 6.323 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.302 5.952 -12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.579 4.611 -11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.961 4.870 -12.078 1.00 0.00 H new ATOM 1595 N SER A 97 -1.594 4.583 -7.614 1.00 0.00 N ATOM 1596 CA SER A 97 -2.074 3.921 -6.417 1.00 0.00 C ATOM 1597 C SER A 97 -2.999 2.757 -6.764 1.00 0.00 C ATOM 1598 O SER A 97 -2.896 1.671 -6.188 1.00 0.00 O ATOM 1599 CB SER A 97 -2.752 4.917 -5.476 1.00 0.00 C ATOM 1600 OG SER A 97 -3.653 5.740 -6.175 1.00 0.00 O ATOM 0 H SER A 97 -1.864 5.563 -7.694 1.00 0.00 H new ATOM 0 HA SER A 97 -1.213 3.507 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.281 4.378 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.997 5.532 -4.987 1.00 0.00 H new ATOM 0 HG SER A 97 -4.489 5.813 -5.669 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.900 2.988 -7.729 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.813 1.953 -8.195 1.00 0.00 C ATOM 1608 C LYS A 98 -4.044 0.788 -8.792 1.00 0.00 C ATOM 1609 O LYS A 98 -4.427 -0.374 -8.618 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.800 2.521 -9.225 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.155 2.905 -8.647 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.038 3.989 -7.591 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.385 4.287 -6.948 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.938 3.099 -6.250 1.00 0.00 N ATOM 0 H LYS A 98 -4.011 3.887 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.379 1.592 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.355 3.400 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.950 1.783 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.807 3.250 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.626 2.024 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.329 3.677 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.640 4.898 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.275 5.107 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.087 4.619 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.257 3.373 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.743 2.722 -6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.202 2.369 -6.171 1.00 0.00 H new ATOM 1628 N ILE A 99 -2.956 1.097 -9.491 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.118 0.066 -10.075 1.00 0.00 C ATOM 1630 C ILE A 99 -1.495 -0.791 -8.972 1.00 0.00 C ATOM 1631 O ILE A 99 -1.544 -2.022 -9.018 1.00 0.00 O ATOM 1632 CB ILE A 99 -0.995 0.673 -10.955 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.603 1.452 -12.126 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.065 -0.426 -11.468 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.584 2.193 -12.968 1.00 0.00 C ATOM 0 H ILE A 99 -2.638 2.051 -9.664 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.751 -0.553 -10.710 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.409 1.362 -10.346 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.152 0.759 -12.764 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.327 2.168 -11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.717 0.018 -12.084 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.388 -0.943 -10.622 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.637 -1.137 -12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.093 2.719 -13.776 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.051 2.912 -12.346 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.126 1.482 -13.389 1.00 0.00 H new ATOM 1647 N LEU A 100 -0.940 -0.115 -7.967 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.287 -0.782 -6.844 1.00 0.00 C ATOM 1649 C LEU A 100 -1.258 -1.669 -6.074 1.00 0.00 C ATOM 1650 O LEU A 100 -0.945 -2.814 -5.752 1.00 0.00 O ATOM 1651 CB LEU A 100 0.350 0.243 -5.903 1.00 0.00 C ATOM 1652 CG LEU A 100 1.485 1.080 -6.499 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.984 2.094 -5.489 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.627 0.183 -6.965 1.00 0.00 C ATOM 0 H LEU A 100 -0.931 0.903 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 100 0.495 -1.420 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.429 0.920 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.733 -0.283 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 100 1.097 1.617 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.791 2.680 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.167 2.757 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.354 1.575 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.424 0.797 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.014 -0.383 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.261 -0.507 -7.725 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.446 -1.137 -5.784 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.465 -1.891 -5.065 1.00 0.00 C ATOM 1668 C LEU A 101 -3.890 -3.111 -5.855 1.00 0.00 C ATOM 1669 O LEU A 101 -4.078 -4.187 -5.282 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.681 -1.019 -4.730 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.661 -0.334 -3.353 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.625 -1.369 -2.238 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.482 0.617 -3.233 1.00 0.00 C ATOM 0 H LEU A 101 -2.723 -0.188 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.023 -2.222 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.773 -0.249 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.576 -1.638 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.577 0.248 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.611 -0.863 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.508 -2.004 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.729 -1.982 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.493 1.087 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.552 0.062 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.554 1.385 -4.003 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.042 -2.949 -7.166 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.364 -4.068 -8.036 1.00 0.00 C ATOM 1687 C LYS A 102 -3.315 -5.160 -7.878 1.00 0.00 C ATOM 1688 O LYS A 102 -3.650 -6.317 -7.629 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.416 -3.605 -9.498 1.00 0.00 C ATOM 1690 CG LYS A 102 -4.620 -4.731 -10.498 1.00 0.00 C ATOM 1691 CD LYS A 102 -4.576 -4.229 -11.937 1.00 0.00 C ATOM 1692 CE LYS A 102 -3.195 -3.691 -12.321 1.00 0.00 C ATOM 1693 NZ LYS A 102 -2.128 -4.716 -12.178 1.00 0.00 N ATOM 0 H LYS A 102 -3.947 -2.054 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.341 -4.463 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.224 -2.882 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.488 -3.085 -9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.849 -5.488 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.580 -5.213 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.848 -5.041 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.320 -3.443 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.220 -3.337 -13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.956 -2.832 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.444 -4.616 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.640 -4.585 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.552 -5.665 -12.209 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.053 -4.787 -8.013 1.00 0.00 N ATOM 1708 CA ASP A 103 -0.960 -5.745 -7.891 1.00 0.00 C ATOM 1709 C ASP A 103 -0.902 -6.391 -6.515 1.00 0.00 C ATOM 1710 O ASP A 103 -0.600 -7.583 -6.409 1.00 0.00 O ATOM 1711 CB ASP A 103 0.378 -5.107 -8.255 1.00 0.00 C ATOM 1712 CG ASP A 103 0.605 -5.086 -9.749 1.00 0.00 C ATOM 1713 OD1 ASP A 103 -0.135 -4.374 -10.458 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.519 -5.794 -10.226 1.00 0.00 O ATOM 0 H ASP A 103 -1.758 -3.830 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.163 -6.543 -8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.411 -4.088 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.186 -5.658 -7.773 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.197 -5.639 -5.452 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.224 -6.220 -4.114 1.00 0.00 C ATOM 1721 C LEU A 104 -2.341 -7.250 -4.016 1.00 0.00 C ATOM 1722 O LEU A 104 -2.123 -8.378 -3.572 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.429 -5.128 -3.053 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.281 -4.131 -2.884 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -0.678 -3.025 -1.918 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.970 -4.840 -2.389 1.00 0.00 C ATOM 0 H LEU A 104 -1.417 -4.644 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.267 -6.708 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.333 -4.572 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.608 -5.612 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.065 -3.685 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.149 -2.324 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.551 -2.499 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.917 -3.459 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.777 -4.116 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.765 -5.311 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.266 -5.602 -3.110 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.548 -6.844 -4.427 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.710 -7.732 -4.430 1.00 0.00 C ATOM 1740 C LYS A 105 -4.459 -8.961 -5.297 1.00 0.00 C ATOM 1741 O LYS A 105 -4.944 -10.046 -4.995 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.968 -6.991 -4.914 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.832 -6.355 -3.806 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.108 -5.245 -3.033 1.00 0.00 C ATOM 1745 CE LYS A 105 -5.357 -5.780 -1.815 1.00 0.00 C ATOM 1746 NZ LYS A 105 -6.271 -6.417 -0.825 1.00 0.00 N ATOM 0 H LYS A 105 -3.743 -5.901 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.874 -8.061 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.663 -6.207 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.587 -7.690 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.738 -5.946 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.143 -7.131 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.406 -4.742 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.833 -4.498 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.613 -6.507 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.817 -4.963 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.745 -7.124 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.652 -5.690 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.055 -6.883 -1.326 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.717 -8.790 -6.374 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.371 -9.908 -7.230 1.00 0.00 C ATOM 1762 C GLU A 106 -2.453 -10.875 -6.485 1.00 0.00 C ATOM 1763 O GLU A 106 -2.595 -12.093 -6.594 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.692 -9.423 -8.505 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.330 -10.548 -9.453 1.00 0.00 C ATOM 1766 CD GLU A 106 -1.614 -10.065 -10.682 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -0.389 -9.868 -10.615 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -2.271 -9.890 -11.726 1.00 0.00 O ATOM 0 H GLU A 106 -3.343 -7.890 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.290 -10.427 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.352 -8.723 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.788 -8.874 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.701 -11.269 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.238 -11.073 -9.750 1.00 0.00 H new ATOM 1775 N THR A 107 -1.534 -10.319 -5.712 1.00 0.00 N ATOM 1776 CA THR A 107 -0.593 -11.115 -4.948 1.00 0.00 C ATOM 1777 C THR A 107 -1.335 -12.011 -3.945 1.00 0.00 C ATOM 1778 O THR A 107 -1.149 -13.230 -3.947 1.00 0.00 O ATOM 1779 CB THR A 107 0.421 -10.213 -4.203 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.097 -9.363 -5.144 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.452 -11.050 -3.454 1.00 0.00 C ATOM 0 H THR A 107 -1.421 -9.312 -5.598 1.00 0.00 H new ATOM 0 HA THR A 107 -0.044 -11.746 -5.647 1.00 0.00 H new ATOM 0 HB THR A 107 -0.129 -9.609 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.474 -8.685 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.152 -10.391 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.946 -11.683 -2.724 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.996 -11.676 -4.162 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.190 -11.408 -3.109 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.979 -12.164 -2.127 1.00 0.00 C ATOM 1791 C GLU A 108 -3.804 -13.271 -2.798 1.00 0.00 C ATOM 1792 O GLU A 108 -3.930 -14.362 -2.252 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.872 -11.226 -1.302 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.818 -10.396 -2.127 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.532 -9.337 -1.327 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -4.883 -8.676 -0.502 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.748 -9.127 -1.558 1.00 0.00 O ATOM 0 H GLU A 108 -2.353 -10.401 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.281 -12.649 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.450 -11.821 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.238 -10.561 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.263 -9.919 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.556 -11.051 -2.591 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.346 -12.986 -3.993 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.100 -13.994 -4.754 1.00 0.00 C ATOM 1806 C GLN A 109 -4.242 -15.224 -4.995 1.00 0.00 C ATOM 1807 O GLN A 109 -4.677 -16.349 -4.770 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.543 -13.445 -6.113 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.520 -12.294 -6.056 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.798 -11.723 -7.435 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -5.941 -11.766 -8.322 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.983 -11.176 -7.624 1.00 0.00 N ATOM 0 H GLN A 109 -4.277 -12.076 -4.449 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.979 -14.255 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.658 -13.123 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.995 -14.256 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.454 -12.632 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.122 -11.510 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.664 -11.160 -6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.218 -10.769 -8.529 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.018 -14.993 -5.448 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.088 -16.072 -5.761 1.00 0.00 C ATOM 1823 C LYS A 110 -1.652 -16.805 -4.505 1.00 0.00 C ATOM 1824 O LYS A 110 -1.563 -18.036 -4.478 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.874 -15.546 -6.544 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.109 -15.393 -8.053 1.00 0.00 C ATOM 1827 CD LYS A 110 -2.331 -14.538 -8.357 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.562 -14.391 -9.848 1.00 0.00 C ATOM 1829 NZ LYS A 110 -3.866 -13.740 -10.143 1.00 0.00 N ATOM 0 H LYS A 110 -2.642 -14.059 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.612 -16.786 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.584 -14.578 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.035 -16.223 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.229 -14.944 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.235 -16.378 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.211 -14.986 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.204 -13.552 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.755 -13.803 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.531 -15.373 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.816 -13.265 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.616 -14.460 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.079 -13.039 -9.405 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.401 -16.032 -3.452 1.00 0.00 N ATOM 1844 CA VAL A 111 -1.027 -16.585 -2.163 1.00 0.00 C ATOM 1845 C VAL A 111 -2.113 -17.538 -1.699 1.00 0.00 C ATOM 1846 O VAL A 111 -1.863 -18.705 -1.430 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.841 -15.459 -1.106 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -0.580 -16.033 0.275 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.290 -14.527 -1.509 1.00 0.00 C ATOM 0 H VAL A 111 -1.452 -15.013 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.080 -17.114 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.769 -14.889 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.455 -15.219 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.424 -16.654 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.326 -16.638 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.404 -13.747 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.218 -15.094 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.060 -14.072 -2.472 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.336 -17.035 -1.683 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.495 -17.807 -1.271 1.00 0.00 C ATOM 1861 C LYS A 112 -4.771 -18.954 -2.240 1.00 0.00 C ATOM 1862 O LYS A 112 -5.445 -19.921 -1.894 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.710 -16.890 -1.180 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.617 -15.868 -0.053 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.618 -14.738 -0.237 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.042 -15.253 -0.366 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.460 -16.064 0.813 1.00 0.00 N ATOM 0 H LYS A 112 -3.553 -16.077 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.291 -18.242 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.831 -16.365 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.604 -17.497 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.796 -16.362 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.608 -15.458 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.555 -14.056 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.358 -14.165 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.722 -14.409 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.127 -15.858 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.467 -16.307 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.895 -16.936 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.309 -15.515 1.683 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.246 -18.839 -3.452 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.418 -19.870 -4.468 1.00 0.00 C ATOM 1883 C ASP A 113 -3.595 -21.103 -4.136 1.00 0.00 C ATOM 1884 O ASP A 113 -3.991 -22.230 -4.458 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.037 -19.349 -5.855 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.146 -20.414 -6.924 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.276 -20.683 -7.388 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.110 -20.993 -7.307 1.00 0.00 O ATOM 0 H ASP A 113 -3.694 -18.037 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.473 -20.144 -4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.683 -18.511 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.016 -18.968 -5.829 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.462 -20.901 -3.465 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.594 -22.009 -3.087 1.00 0.00 C ATOM 1895 C ILE A 114 -2.218 -22.819 -1.947 1.00 0.00 C ATOM 1896 O ILE A 114 -2.518 -22.292 -0.869 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.166 -21.509 -2.671 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.771 -21.414 -3.882 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.454 -22.404 -1.608 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.364 -20.409 -4.927 1.00 0.00 C ATOM 0 H ILE A 114 -2.127 -19.983 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.486 -22.650 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.294 -20.511 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.771 -21.163 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.835 -22.396 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.442 -22.026 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.180 -22.409 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.545 -23.419 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.089 -20.417 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.621 -20.667 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.330 -19.415 -4.482 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.464 -24.084 -2.223 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.991 -25.002 -1.228 1.00 0.00 C ATOM 1914 C GLN A 115 -1.901 -25.400 -0.231 1.00 0.00 C ATOM 1915 O GLN A 115 -0.835 -25.889 -0.618 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.578 -26.247 -1.903 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.602 -26.963 -2.823 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.172 -28.237 -3.406 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -4.383 -28.357 -3.613 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.309 -29.192 -3.679 1.00 0.00 N ATOM 0 H GLN A 115 -2.306 -24.505 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.788 -24.495 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.914 -26.942 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.458 -25.957 -2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.317 -26.293 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.693 -27.197 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.316 -29.051 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.633 -30.073 -4.078 1.00 0.00 H new ATOM 1929 N THR A 116 -2.161 -25.172 1.040 1.00 0.00 N ATOM 1930 CA THR A 116 -1.227 -25.533 2.089 1.00 0.00 C ATOM 1931 C THR A 116 -1.922 -26.400 3.124 1.00 0.00 C ATOM 1932 O THR A 116 -3.156 -26.367 3.228 1.00 0.00 O ATOM 1933 CB THR A 116 -0.634 -24.284 2.770 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.686 -23.405 3.194 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.295 -23.550 1.824 1.00 0.00 C ATOM 0 H THR A 116 -3.019 -24.734 1.375 1.00 0.00 H new ATOM 0 HA THR A 116 -0.409 -26.090 1.633 1.00 0.00 H new ATOM 0 HB THR A 116 -0.064 -24.608 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.313 -22.700 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.703 -22.671 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.110 -24.211 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.259 -23.239 0.938 1.00 0.00 H new ATOM 1943 N GLN A 117 -1.162 -27.184 3.871 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.736 -28.012 4.915 1.00 0.00 C ATOM 1945 C GLN A 117 -2.330 -27.165 6.032 1.00 0.00 C ATOM 1946 O GLN A 117 -1.562 -26.545 6.780 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.699 -28.993 5.470 1.00 0.00 C ATOM 1948 CG GLN A 117 -0.128 -29.948 4.428 1.00 0.00 C ATOM 1949 CD GLN A 117 -1.184 -30.849 3.812 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -1.798 -30.512 2.796 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -1.396 -31.999 4.414 1.00 0.00 N ATOM 1952 OXT GLN A 117 -3.579 -27.133 6.158 1.00 0.00 O ATOM 0 H GLN A 117 -0.150 -27.263 3.773 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.546 -28.589 4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 117 0.119 -28.427 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.157 -29.576 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.355 -29.371 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.643 -30.564 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.868 -32.241 5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.089 -32.649 4.043 1.00 0.00 H new