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= -1.03 K(o=0.036,f=-3.4) USER MOD Set 1.2: A 97 SER OG : rot -63:sc= 1.06 USER MOD Set 2.1: A 52 GLN : amide:sc= 0.436 K(o=1.2,f=-7.5!) USER MOD Set 2.2: A 116 THR OG1 : rot -97:sc= 0.79 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,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 X(o=0,f=-0.058) USER MOD Single : A 32 GLN : amide:sc= -6.51! C(o=-6.5!,f=-7.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,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= -0.243 K(o=-0.24,f=-2.6!) USER MOD Single : A 44 ASN : amide:sc= -0.894 K(o=-0.89,f=-5.6!) USER MOD Single : A 46 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.544) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -37:sc= 0.56 USER MOD Single : A 65 MET CE :methyl -148:sc= -1.18 (180deg=-1.45) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.146) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.954 K(o=-0.95,f=-7!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 95 THR OG1 : rot 68:sc= 1.07 USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= -0.0147 (180deg=-0.842) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -88:sc= 0.467 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+ 166:sc= -0.125 (180deg=-0.458) USER MOD Single : A 115 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.17) USER MOD Single : A 117 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -14.104 14.046 4.350 1.00 0.00 N ATOM 296 CA LEU A 18 -14.524 12.683 4.043 1.00 0.00 C ATOM 297 C LEU A 18 -13.787 12.149 2.818 1.00 0.00 C ATOM 298 O LEU A 18 -12.983 11.223 2.920 1.00 0.00 O ATOM 299 CB LEU A 18 -16.034 12.633 3.806 1.00 0.00 C ATOM 300 CG LEU A 18 -16.905 13.260 4.895 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.269 13.636 4.338 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.051 12.310 6.075 1.00 0.00 C ATOM 0 HA LEU A 18 -14.276 12.053 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.250 13.134 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.329 11.590 3.688 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.416 14.169 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.875 14.081 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.146 14.354 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.766 12.743 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.674 12.773 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.516 11.383 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.067 12.093 6.491 1.00 0.00 H new ATOM 314 N ILE A 19 -14.068 12.741 1.662 1.00 0.00 N ATOM 315 CA ILE A 19 -13.430 12.328 0.418 1.00 0.00 C ATOM 316 C ILE A 19 -11.912 12.290 0.565 1.00 0.00 C ATOM 317 O ILE A 19 -11.263 11.336 0.140 1.00 0.00 O ATOM 318 CB ILE A 19 -13.799 13.268 -0.744 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.293 13.165 -1.058 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.969 12.940 -1.976 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.710 11.803 -1.566 1.00 0.00 C ATOM 0 H ILE A 19 -14.733 13.508 1.561 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.796 11.326 0.193 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.580 14.293 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.862 13.398 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.552 13.917 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.242 13.613 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.911 13.061 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.159 11.910 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.781 11.802 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.168 11.575 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.482 11.048 -0.813 1.00 0.00 H new ATOM 333 N GLU A 20 -11.356 13.335 1.170 1.00 0.00 N ATOM 334 CA GLU A 20 -9.915 13.420 1.374 1.00 0.00 C ATOM 335 C GLU A 20 -9.384 12.156 2.044 1.00 0.00 C ATOM 336 O GLU A 20 -8.454 11.522 1.548 1.00 0.00 O ATOM 337 CB GLU A 20 -9.568 14.644 2.223 1.00 0.00 C ATOM 338 CG GLU A 20 -9.639 15.956 1.458 1.00 0.00 C ATOM 339 CD GLU A 20 -8.339 16.290 0.752 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.273 15.864 1.242 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.389 16.976 -0.290 1.00 0.00 O ATOM 0 H GLU A 20 -11.881 14.133 1.527 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.442 13.519 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.249 14.691 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.563 14.523 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.443 15.901 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.891 16.761 2.148 1.00 0.00 H new ATOM 348 N GLN A 21 -9.983 11.798 3.176 1.00 0.00 N ATOM 349 CA GLN A 21 -9.571 10.610 3.916 1.00 0.00 C ATOM 350 C GLN A 21 -9.770 9.351 3.080 1.00 0.00 C ATOM 351 O GLN A 21 -8.968 8.420 3.141 1.00 0.00 O ATOM 352 CB GLN A 21 -10.356 10.500 5.223 1.00 0.00 C ATOM 353 CG GLN A 21 -9.624 9.729 6.310 1.00 0.00 C ATOM 354 CD GLN A 21 -10.376 9.721 7.627 1.00 0.00 C ATOM 355 OE1 GLN A 21 -10.983 10.719 8.014 1.00 0.00 O ATOM 356 NE2 GLN A 21 -10.338 8.590 8.322 1.00 0.00 N ATOM 0 H GLN A 21 -10.754 12.313 3.600 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.510 10.706 4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.580 11.502 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.311 10.013 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.467 8.702 5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.638 10.169 6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.822 7.787 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.825 8.524 9.216 1.00 0.00 H new ATOM 365 N ALA A 22 -10.845 9.331 2.297 1.00 0.00 N ATOM 366 CA ALA A 22 -11.149 8.187 1.448 1.00 0.00 C ATOM 367 C ALA A 22 -10.087 8.005 0.370 1.00 0.00 C ATOM 368 O ALA A 22 -9.625 6.893 0.122 1.00 0.00 O ATOM 369 CB ALA A 22 -12.523 8.350 0.815 1.00 0.00 C ATOM 0 H ALA A 22 -11.519 10.094 2.234 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.152 7.294 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.737 7.488 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.278 8.423 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.540 9.256 0.210 1.00 0.00 H new ATOM 375 N ASN A 23 -9.705 9.106 -0.269 1.00 0.00 N ATOM 376 CA ASN A 23 -8.696 9.068 -1.323 1.00 0.00 C ATOM 377 C ASN A 23 -7.344 8.632 -0.766 1.00 0.00 C ATOM 378 O ASN A 23 -6.634 7.838 -1.384 1.00 0.00 O ATOM 379 CB ASN A 23 -8.570 10.441 -1.985 1.00 0.00 C ATOM 380 CG ASN A 23 -9.358 10.535 -3.276 1.00 0.00 C ATOM 381 OD1 ASN A 23 -10.506 11.202 -3.221 1.00 0.00 O flip ATOM 382 ND2 ASN A 23 -8.941 10.015 -4.312 1.00 0.00 N flip ATOM 0 H ASN A 23 -10.078 10.035 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.012 8.340 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.918 11.208 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.519 10.648 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.054 9.512 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.483 10.088 -5.173 1.00 0.00 H new ATOM 389 N HIS A 24 -6.996 9.156 0.405 1.00 0.00 N ATOM 390 CA HIS A 24 -5.730 8.820 1.046 1.00 0.00 C ATOM 391 C HIS A 24 -5.697 7.348 1.448 1.00 0.00 C ATOM 392 O HIS A 24 -4.676 6.678 1.301 1.00 0.00 O ATOM 393 CB HIS A 24 -5.506 9.700 2.276 1.00 0.00 C ATOM 394 CG HIS A 24 -4.061 9.925 2.598 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.400 11.101 2.313 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.150 9.116 3.185 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.144 11.005 2.711 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.966 9.809 3.244 1.00 0.00 N ATOM 0 H HIS A 24 -7.573 9.814 0.929 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.930 9.001 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.988 10.664 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.994 9.240 3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.322 8.111 3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.391 11.773 2.617 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.092 9.458 3.635 1.00 0.00 H new ATOM 406 N ALA A 25 -6.822 6.853 1.953 1.00 0.00 N ATOM 407 CA ALA A 25 -6.922 5.461 2.374 1.00 0.00 C ATOM 408 C ALA A 25 -6.792 4.517 1.184 1.00 0.00 C ATOM 409 O ALA A 25 -5.996 3.577 1.211 1.00 0.00 O ATOM 410 CB ALA A 25 -8.240 5.222 3.097 1.00 0.00 C ATOM 0 H ALA A 25 -7.677 7.395 2.081 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.100 5.255 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.302 4.178 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.295 5.864 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.069 5.452 2.428 1.00 0.00 H new ATOM 416 N ILE A 26 -7.576 4.773 0.142 1.00 0.00 N ATOM 417 CA ILE A 26 -7.546 3.945 -1.057 1.00 0.00 C ATOM 418 C ILE A 26 -6.198 4.045 -1.762 1.00 0.00 C ATOM 419 O ILE A 26 -5.739 3.089 -2.384 1.00 0.00 O ATOM 420 CB ILE A 26 -8.659 4.343 -2.044 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.413 5.754 -2.582 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.021 4.257 -1.370 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.468 6.220 -3.560 1.00 0.00 C ATOM 0 H ILE A 26 -8.239 5.547 0.104 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.708 2.917 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.646 3.647 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.372 6.451 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.439 5.783 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.797 4.541 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.196 3.236 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.047 4.932 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.229 7.228 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.494 5.545 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.442 6.223 -3.070 1.00 0.00 H new ATOM 435 N GLU A 27 -5.568 5.212 -1.657 1.00 0.00 N ATOM 436 CA GLU A 27 -4.270 5.437 -2.285 1.00 0.00 C ATOM 437 C GLU A 27 -3.192 4.580 -1.627 1.00 0.00 C ATOM 438 O GLU A 27 -2.539 3.769 -2.285 1.00 0.00 O ATOM 439 CB GLU A 27 -3.887 6.915 -2.197 1.00 0.00 C ATOM 440 CG GLU A 27 -4.457 7.760 -3.323 1.00 0.00 C ATOM 441 CD GLU A 27 -4.614 9.218 -2.937 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.997 9.637 -1.936 1.00 0.00 O ATOM 443 OE2 GLU A 27 -5.356 9.939 -3.637 1.00 0.00 O ATOM 0 H GLU A 27 -5.934 6.014 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.347 5.151 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.232 7.315 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.800 7.001 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.805 7.687 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.427 7.360 -3.617 1.00 0.00 H new ATOM 450 N LYS A 28 -3.011 4.765 -0.323 1.00 0.00 N ATOM 451 CA LYS A 28 -2.013 4.010 0.425 1.00 0.00 C ATOM 452 C LYS A 28 -2.284 2.512 0.335 1.00 0.00 C ATOM 453 O LYS A 28 -1.363 1.714 0.162 1.00 0.00 O ATOM 454 CB LYS A 28 -2.005 4.451 1.891 1.00 0.00 C ATOM 455 CG LYS A 28 -0.844 3.885 2.689 1.00 0.00 C ATOM 456 CD LYS A 28 -1.168 2.508 3.246 1.00 0.00 C ATOM 457 CE LYS A 28 -0.349 2.202 4.489 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.971 2.768 5.717 1.00 0.00 N ATOM 0 H LYS A 28 -3.543 5.431 0.237 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.036 4.211 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.968 5.540 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.940 4.145 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.039 3.823 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.600 4.562 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.230 2.452 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.973 1.752 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.246 1.122 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.656 2.608 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.382 2.537 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.047 3.801 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.920 2.362 5.844 1.00 0.00 H new ATOM 472 N GLY A 29 -3.554 2.136 0.454 1.00 0.00 N ATOM 473 CA GLY A 29 -3.923 0.735 0.381 1.00 0.00 C ATOM 474 C GLY A 29 -3.700 0.147 -0.998 1.00 0.00 C ATOM 475 O GLY A 29 -3.330 -1.019 -1.129 1.00 0.00 O ATOM 0 H GLY A 29 -4.334 2.777 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.342 0.171 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.972 0.624 0.654 1.00 0.00 H new ATOM 479 N GLU A 30 -3.927 0.956 -2.028 1.00 0.00 N ATOM 480 CA GLU A 30 -3.751 0.507 -3.404 1.00 0.00 C ATOM 481 C GLU A 30 -2.274 0.280 -3.717 1.00 0.00 C ATOM 482 O GLU A 30 -1.915 -0.671 -4.412 1.00 0.00 O ATOM 483 CB GLU A 30 -4.339 1.531 -4.377 1.00 0.00 C ATOM 484 CG GLU A 30 -4.071 1.207 -5.837 1.00 0.00 C ATOM 485 CD GLU A 30 -4.561 2.292 -6.776 1.00 0.00 C ATOM 486 OE1 GLU A 30 -3.788 3.233 -7.052 1.00 0.00 O ATOM 487 OE2 GLU A 30 -5.719 2.199 -7.234 1.00 0.00 O ATOM 0 H GLU A 30 -4.233 1.925 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.279 -0.439 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.416 1.593 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.926 2.514 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.000 1.062 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.557 0.265 -6.091 1.00 0.00 H new ATOM 494 N HIS A 31 -1.423 1.162 -3.201 1.00 0.00 N ATOM 495 CA HIS A 31 0.014 1.058 -3.426 1.00 0.00 C ATOM 496 C HIS A 31 0.596 -0.138 -2.679 1.00 0.00 C ATOM 497 O HIS A 31 1.270 -0.981 -3.270 1.00 0.00 O ATOM 498 CB HIS A 31 0.715 2.343 -2.979 1.00 0.00 C ATOM 499 CG HIS A 31 0.286 3.556 -3.745 1.00 0.00 C ATOM 500 ND1 HIS A 31 0.167 4.804 -3.172 1.00 0.00 N ATOM 501 CD2 HIS A 31 -0.051 3.707 -5.047 1.00 0.00 C ATOM 502 CE1 HIS A 31 -0.226 5.671 -4.088 1.00 0.00 C ATOM 503 NE2 HIS A 31 -0.366 5.031 -5.235 1.00 0.00 N ATOM 0 H HIS A 31 -1.704 1.956 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 31 0.180 0.913 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.519 2.504 -1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.792 2.216 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.069 2.931 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.403 6.724 -3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.660 5.451 -6.117 1.00 0.00 H new ATOM 511 N GLN A 32 0.330 -0.204 -1.379 1.00 0.00 N ATOM 512 CA GLN A 32 0.829 -1.298 -0.553 1.00 0.00 C ATOM 513 C GLN A 32 0.301 -2.640 -1.048 1.00 0.00 C ATOM 514 O GLN A 32 1.007 -3.649 -1.012 1.00 0.00 O ATOM 515 CB GLN A 32 0.427 -1.086 0.909 1.00 0.00 C ATOM 516 CG GLN A 32 -1.071 -1.195 1.149 1.00 0.00 C ATOM 517 CD GLN A 32 -1.523 -2.624 1.376 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.461 -3.100 0.737 1.00 0.00 O ATOM 519 NE2 GLN A 32 -0.855 -3.318 2.291 1.00 0.00 N ATOM 0 H GLN A 32 -0.227 0.486 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 32 1.916 -1.307 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.941 -1.821 1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.768 -0.102 1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.341 -0.591 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.603 -0.781 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.083 -2.884 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.114 -4.285 2.487 1.00 0.00 H new ATOM 528 N LEU A 33 -0.945 -2.646 -1.509 1.00 0.00 N ATOM 529 CA LEU A 33 -1.569 -3.865 -2.012 1.00 0.00 C ATOM 530 C LEU A 33 -0.914 -4.315 -3.314 1.00 0.00 C ATOM 531 O LEU A 33 -0.561 -5.484 -3.471 1.00 0.00 O ATOM 532 CB LEU A 33 -3.067 -3.641 -2.232 1.00 0.00 C ATOM 533 CG LEU A 33 -3.852 -4.839 -2.767 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.762 -4.904 -4.284 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.343 -6.131 -2.145 1.00 0.00 C ATOM 0 H LEU A 33 -1.543 -1.821 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.430 -4.649 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.511 -3.334 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.192 -2.810 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.899 -4.714 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.327 -5.763 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.176 -3.991 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.719 -5.004 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.913 -6.973 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.289 -6.262 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.462 -6.085 -1.062 1.00 0.00 H new ATOM 547 N LEU A 34 -0.752 -3.379 -4.243 1.00 0.00 N ATOM 548 CA LEU A 34 -0.136 -3.678 -5.531 1.00 0.00 C ATOM 549 C LEU A 34 1.263 -4.259 -5.344 1.00 0.00 C ATOM 550 O LEU A 34 1.644 -5.216 -6.019 1.00 0.00 O ATOM 551 CB LEU A 34 -0.065 -2.415 -6.390 1.00 0.00 C ATOM 552 CG LEU A 34 -1.367 -1.995 -7.075 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.255 -0.577 -7.611 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.718 -2.965 -8.193 1.00 0.00 C ATOM 0 H LEU A 34 -1.039 -2.407 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.753 -4.420 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.274 -1.591 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.694 -2.564 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.168 -2.019 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.190 -0.296 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.052 0.108 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.442 -0.525 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.647 -2.651 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.917 -2.974 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.842 -3.966 -7.780 1.00 0.00 H new ATOM 566 N TYR A 35 2.022 -3.675 -4.424 1.00 0.00 N ATOM 567 CA TYR A 35 3.378 -4.133 -4.148 1.00 0.00 C ATOM 568 C TYR A 35 3.364 -5.493 -3.456 1.00 0.00 C ATOM 569 O TYR A 35 4.154 -6.378 -3.784 1.00 0.00 O ATOM 570 CB TYR A 35 4.117 -3.114 -3.279 1.00 0.00 C ATOM 571 CG TYR A 35 5.419 -3.633 -2.712 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.450 -4.315 -1.502 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.619 -3.440 -3.386 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.638 -4.790 -0.981 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.811 -3.912 -2.873 1.00 0.00 C ATOM 576 CZ TYR A 35 7.815 -4.586 -1.669 1.00 0.00 C ATOM 577 OH TYR A 35 9.001 -5.058 -1.153 1.00 0.00 O ATOM 0 H TYR A 35 1.721 -2.883 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 35 3.900 -4.235 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.319 -2.222 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.468 -2.811 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.530 -4.476 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.619 -2.911 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.645 -5.319 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.734 -3.755 -3.411 1.00 0.00 H new ATOM 0 HH TYR A 35 9.735 -4.832 -1.761 1.00 0.00 H new ATOM 587 N LEU A 36 2.458 -5.652 -2.498 1.00 0.00 N ATOM 588 CA LEU A 36 2.337 -6.903 -1.758 1.00 0.00 C ATOM 589 C LEU A 36 1.938 -8.047 -2.685 1.00 0.00 C ATOM 590 O LEU A 36 2.299 -9.200 -2.453 1.00 0.00 O ATOM 591 CB LEU A 36 1.308 -6.758 -0.635 1.00 0.00 C ATOM 592 CG LEU A 36 1.873 -6.558 0.771 1.00 0.00 C ATOM 593 CD1 LEU A 36 2.576 -5.214 0.878 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.768 -6.668 1.811 1.00 0.00 C ATOM 0 H LEU A 36 1.796 -4.930 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 36 3.309 -7.134 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.662 -5.912 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.679 -7.648 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 36 2.604 -7.343 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.972 -5.090 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.395 -5.173 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.866 -4.414 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.189 -6.523 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.013 -5.905 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.309 -7.655 1.752 1.00 0.00 H new ATOM 606 N GLN A 37 1.192 -7.718 -3.736 1.00 0.00 N ATOM 607 CA GLN A 37 0.745 -8.718 -4.697 1.00 0.00 C ATOM 608 C GLN A 37 1.919 -9.554 -5.198 1.00 0.00 C ATOM 609 O GLN A 37 1.791 -10.762 -5.404 1.00 0.00 O ATOM 610 CB GLN A 37 0.045 -8.044 -5.878 1.00 0.00 C ATOM 611 CG GLN A 37 -1.075 -8.879 -6.479 1.00 0.00 C ATOM 612 CD GLN A 37 -2.184 -8.031 -7.068 1.00 0.00 C ATOM 613 OE1 GLN A 37 -2.005 -7.382 -8.099 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.341 -8.032 -6.415 1.00 0.00 N ATOM 0 H GLN A 37 0.885 -6.767 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 37 0.039 -9.379 -4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.362 -7.087 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.782 -7.829 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.665 -9.524 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.490 -9.530 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.446 -8.585 -5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.124 -7.480 -6.765 1.00 0.00 H new ATOM 623 N HIS A 38 3.062 -8.905 -5.392 1.00 0.00 N ATOM 624 CA HIS A 38 4.259 -9.589 -5.868 1.00 0.00 C ATOM 625 C HIS A 38 4.726 -10.634 -4.860 1.00 0.00 C ATOM 626 O HIS A 38 4.895 -11.805 -5.199 1.00 0.00 O ATOM 627 CB HIS A 38 5.378 -8.581 -6.131 1.00 0.00 C ATOM 628 CG HIS A 38 5.353 -8.002 -7.513 1.00 0.00 C ATOM 629 ND1 HIS A 38 5.899 -8.642 -8.606 1.00 0.00 N ATOM 630 CD2 HIS A 38 4.840 -6.838 -7.976 1.00 0.00 C ATOM 631 CE1 HIS A 38 5.725 -7.895 -9.681 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.085 -6.795 -9.326 1.00 0.00 N ATOM 0 H HIS A 38 3.185 -7.906 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 38 4.010 -10.096 -6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.303 -7.771 -5.406 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.340 -9.068 -5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.333 -6.084 -7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.051 -8.141 -10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.817 -6.037 -9.953 1.00 0.00 H new ATOM 640 N GLN A 39 4.932 -10.201 -3.620 1.00 0.00 N ATOM 641 CA GLN A 39 5.379 -11.100 -2.563 1.00 0.00 C ATOM 642 C GLN A 39 4.469 -12.319 -2.462 1.00 0.00 C ATOM 643 O GLN A 39 4.940 -13.454 -2.370 1.00 0.00 O ATOM 644 CB GLN A 39 5.418 -10.365 -1.222 1.00 0.00 C ATOM 645 CG GLN A 39 6.330 -9.149 -1.220 1.00 0.00 C ATOM 646 CD GLN A 39 7.797 -9.520 -1.140 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.310 -10.259 -1.981 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.483 -9.007 -0.126 1.00 0.00 N ATOM 0 H GLN A 39 4.797 -9.235 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 39 6.384 -11.441 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.408 -10.051 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.748 -11.057 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.155 -8.567 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.074 -8.509 -0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.018 -8.399 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.475 -9.221 -0.021 1.00 0.00 H new ATOM 657 N LEU A 40 3.163 -12.079 -2.481 1.00 0.00 N ATOM 658 CA LEU A 40 2.185 -13.157 -2.391 1.00 0.00 C ATOM 659 C LEU A 40 2.337 -14.128 -3.557 1.00 0.00 C ATOM 660 O LEU A 40 2.382 -15.343 -3.364 1.00 0.00 O ATOM 661 CB LEU A 40 0.765 -12.586 -2.370 1.00 0.00 C ATOM 662 CG LEU A 40 -0.356 -13.558 -2.735 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.218 -14.852 -1.948 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.716 -12.923 -2.488 1.00 0.00 C ATOM 0 H LEU A 40 2.756 -11.147 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 40 2.365 -13.700 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.568 -12.194 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.725 -11.742 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.276 -13.792 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.025 -15.532 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.741 -15.317 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.271 -14.636 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.502 -13.630 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.808 -12.658 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.815 -12.025 -3.098 1.00 0.00 H new ATOM 676 N ASP A 41 2.419 -13.584 -4.766 1.00 0.00 N ATOM 677 CA ASP A 41 2.569 -14.402 -5.964 1.00 0.00 C ATOM 678 C ASP A 41 3.766 -15.340 -5.835 1.00 0.00 C ATOM 679 O ASP A 41 3.679 -16.522 -6.164 1.00 0.00 O ATOM 680 CB ASP A 41 2.732 -13.513 -7.198 1.00 0.00 C ATOM 681 CG ASP A 41 2.411 -14.245 -8.486 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.219 -14.301 -8.854 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.350 -14.764 -9.125 1.00 0.00 O ATOM 0 H ASP A 41 2.384 -12.580 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 41 1.668 -15.005 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.080 -12.644 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.755 -13.140 -7.241 1.00 0.00 H new ATOM 688 N GLU A 42 4.882 -14.802 -5.354 1.00 0.00 N ATOM 689 CA GLU A 42 6.098 -15.591 -5.184 1.00 0.00 C ATOM 690 C GLU A 42 5.939 -16.594 -4.047 1.00 0.00 C ATOM 691 O GLU A 42 6.502 -17.690 -4.087 1.00 0.00 O ATOM 692 CB GLU A 42 7.292 -14.674 -4.909 1.00 0.00 C ATOM 693 CG GLU A 42 8.539 -15.419 -4.462 1.00 0.00 C ATOM 694 CD GLU A 42 9.816 -14.765 -4.953 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.830 -13.525 -5.097 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.802 -15.494 -5.193 1.00 0.00 O ATOM 0 H GLU A 42 4.970 -13.825 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 42 6.278 -16.141 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.521 -14.108 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.016 -13.951 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.557 -15.470 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.496 -16.445 -4.829 1.00 0.00 H new ATOM 703 N LEU A 43 5.170 -16.213 -3.032 1.00 0.00 N ATOM 704 CA LEU A 43 4.938 -17.079 -1.882 1.00 0.00 C ATOM 705 C LEU A 43 4.060 -18.267 -2.262 1.00 0.00 C ATOM 706 O LEU A 43 4.177 -19.348 -1.688 1.00 0.00 O ATOM 707 CB LEU A 43 4.284 -16.289 -0.747 1.00 0.00 C ATOM 708 CG LEU A 43 4.032 -17.058 0.550 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.744 -17.861 0.453 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.208 -17.970 0.866 1.00 0.00 C ATOM 0 H LEU A 43 4.697 -15.311 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 43 5.903 -17.458 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.915 -15.430 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.331 -15.899 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 43 3.927 -16.338 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.581 -18.402 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.907 -17.186 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.819 -18.572 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.011 -18.510 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.344 -18.683 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.112 -17.372 0.979 1.00 0.00 H new ATOM 722 N ASN A 44 3.179 -18.056 -3.235 1.00 0.00 N ATOM 723 CA ASN A 44 2.281 -19.109 -3.694 1.00 0.00 C ATOM 724 C ASN A 44 3.068 -20.326 -4.174 1.00 0.00 C ATOM 725 O ASN A 44 2.681 -21.465 -3.920 1.00 0.00 O ATOM 726 CB ASN A 44 1.386 -18.590 -4.821 1.00 0.00 C ATOM 727 CG ASN A 44 0.204 -17.795 -4.302 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.095 -17.814 -3.108 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.473 -17.088 -5.199 1.00 0.00 N ATOM 0 H ASN A 44 3.068 -17.166 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 44 1.657 -19.411 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.976 -17.964 -5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.023 -19.432 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.277 -16.531 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.189 -17.102 -6.179 1.00 0.00 H new ATOM 736 N GLU A 45 4.173 -20.072 -4.867 1.00 0.00 N ATOM 737 CA GLU A 45 5.015 -21.145 -5.381 1.00 0.00 C ATOM 738 C GLU A 45 6.083 -21.536 -4.364 1.00 0.00 C ATOM 739 O GLU A 45 6.293 -22.716 -4.089 1.00 0.00 O ATOM 740 CB GLU A 45 5.676 -20.721 -6.694 1.00 0.00 C ATOM 741 CG GLU A 45 6.248 -21.882 -7.490 1.00 0.00 C ATOM 742 CD GLU A 45 5.198 -22.593 -8.321 1.00 0.00 C ATOM 743 OE1 GLU A 45 4.267 -21.915 -8.807 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.305 -23.826 -8.486 1.00 0.00 O ATOM 0 H GLU A 45 4.506 -19.133 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 45 4.380 -22.012 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.943 -20.197 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.475 -20.012 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.037 -21.514 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.708 -22.595 -6.806 1.00 0.00 H new ATOM 751 N ASN A 46 6.756 -20.533 -3.808 1.00 0.00 N ATOM 752 CA ASN A 46 7.805 -20.770 -2.821 1.00 0.00 C ATOM 753 C ASN A 46 7.269 -21.574 -1.641 1.00 0.00 C ATOM 754 O ASN A 46 7.975 -22.405 -1.069 1.00 0.00 O ATOM 755 CB ASN A 46 8.379 -19.440 -2.328 1.00 0.00 C ATOM 756 CG ASN A 46 9.379 -18.846 -3.301 1.00 0.00 C ATOM 757 OD1 ASN A 46 9.645 -19.415 -4.360 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.939 -17.696 -2.945 1.00 0.00 N ATOM 0 H ASN A 46 6.594 -19.549 -4.024 1.00 0.00 H new ATOM 0 HA ASN A 46 8.598 -21.345 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.565 -18.732 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.861 -19.591 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.620 -17.249 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.688 -17.260 -2.058 1.00 0.00 H new ATOM 765 N LYS A 47 6.014 -21.323 -1.282 1.00 0.00 N ATOM 766 CA LYS A 47 5.382 -22.024 -0.171 1.00 0.00 C ATOM 767 C LYS A 47 6.244 -21.947 1.084 1.00 0.00 C ATOM 768 O LYS A 47 6.279 -22.883 1.884 1.00 0.00 O ATOM 769 CB LYS A 47 5.130 -23.488 -0.541 1.00 0.00 C ATOM 770 CG LYS A 47 3.829 -24.041 0.015 1.00 0.00 C ATOM 771 CD LYS A 47 2.644 -23.658 -0.856 1.00 0.00 C ATOM 772 CE LYS A 47 2.670 -24.393 -2.187 1.00 0.00 C ATOM 773 NZ LYS A 47 2.718 -25.871 -2.005 1.00 0.00 N ATOM 0 H LYS A 47 5.415 -20.639 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 47 4.428 -21.538 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.121 -23.583 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.959 -24.094 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.894 -25.127 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.675 -23.665 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.716 -23.886 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.654 -22.582 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.785 -24.127 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.537 -24.070 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.399 -26.339 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.693 -26.163 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.095 -26.144 -1.218 1.00 0.00 H new ATOM 787 N SER A 48 6.940 -20.827 1.251 1.00 0.00 N ATOM 788 CA SER A 48 7.806 -20.629 2.408 1.00 0.00 C ATOM 789 C SER A 48 6.983 -20.337 3.659 1.00 0.00 C ATOM 790 O SER A 48 6.103 -19.476 3.650 1.00 0.00 O ATOM 791 CB SER A 48 8.787 -19.484 2.149 1.00 0.00 C ATOM 792 OG SER A 48 10.093 -19.826 2.575 1.00 0.00 O ATOM 0 H SER A 48 6.921 -20.042 0.600 1.00 0.00 H new ATOM 0 HA SER A 48 8.368 -21.548 2.571 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.799 -19.245 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.453 -18.589 2.673 1.00 0.00 H new ATOM 0 HG SER A 48 10.701 -19.079 2.397 1.00 0.00 H new ATOM 798 N LYS A 49 7.274 -21.060 4.735 1.00 0.00 N ATOM 799 CA LYS A 49 6.564 -20.878 5.995 1.00 0.00 C ATOM 800 C LYS A 49 6.797 -19.478 6.553 1.00 0.00 C ATOM 801 O LYS A 49 5.875 -18.845 7.069 1.00 0.00 O ATOM 802 CB LYS A 49 7.016 -21.926 7.014 1.00 0.00 C ATOM 803 CG LYS A 49 8.521 -21.969 7.217 1.00 0.00 C ATOM 804 CD LYS A 49 9.041 -23.397 7.226 1.00 0.00 C ATOM 805 CE LYS A 49 10.376 -23.508 6.505 1.00 0.00 C ATOM 806 NZ LYS A 49 11.511 -23.652 7.457 1.00 0.00 N ATOM 0 H LYS A 49 7.998 -21.778 4.759 1.00 0.00 H new ATOM 0 HA LYS A 49 5.498 -21.001 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.535 -21.722 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.674 -22.908 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.013 -21.407 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.776 -21.482 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.152 -23.738 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.313 -24.054 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.355 -24.366 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.530 -22.623 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.402 -23.725 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.547 -22.822 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.378 -24.510 8.029 1.00 0.00 H new ATOM 820 N GLU A 50 8.032 -18.999 6.446 1.00 0.00 N ATOM 821 CA GLU A 50 8.383 -17.674 6.940 1.00 0.00 C ATOM 822 C GLU A 50 7.748 -16.585 6.078 1.00 0.00 C ATOM 823 O GLU A 50 7.062 -15.697 6.584 1.00 0.00 O ATOM 824 CB GLU A 50 9.903 -17.500 6.964 1.00 0.00 C ATOM 825 CG GLU A 50 10.567 -18.113 8.184 1.00 0.00 C ATOM 826 CD GLU A 50 11.845 -17.396 8.577 1.00 0.00 C ATOM 827 OE1 GLU A 50 11.807 -16.157 8.728 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.881 -18.075 8.732 1.00 0.00 O ATOM 0 H GLU A 50 8.806 -19.509 6.021 1.00 0.00 H new ATOM 0 HA GLU A 50 7.998 -17.580 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.326 -17.950 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.139 -16.436 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.870 -18.090 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.790 -19.161 7.983 1.00 0.00 H new ATOM 835 N LEU A 51 7.984 -16.661 4.772 1.00 0.00 N ATOM 836 CA LEU A 51 7.438 -15.684 3.838 1.00 0.00 C ATOM 837 C LEU A 51 5.919 -15.605 3.958 1.00 0.00 C ATOM 838 O LEU A 51 5.334 -14.529 3.848 1.00 0.00 O ATOM 839 CB LEU A 51 7.829 -16.045 2.404 1.00 0.00 C ATOM 840 CG LEU A 51 7.654 -14.939 1.362 1.00 0.00 C ATOM 841 CD1 LEU A 51 8.431 -13.697 1.765 1.00 0.00 C ATOM 842 CD2 LEU A 51 8.096 -15.426 -0.011 1.00 0.00 C ATOM 0 H LEU A 51 8.550 -17.390 4.337 1.00 0.00 H new ATOM 0 HA LEU A 51 7.855 -14.708 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.873 -16.357 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.238 -16.906 2.093 1.00 0.00 H new ATOM 0 HG LEU A 51 6.597 -14.679 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.294 -12.922 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.067 -13.336 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.490 -13.941 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.965 -14.627 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.146 -15.714 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.494 -16.286 -0.303 1.00 0.00 H new ATOM 854 N GLN A 52 5.289 -16.753 4.186 1.00 0.00 N ATOM 855 CA GLN A 52 3.839 -16.814 4.323 1.00 0.00 C ATOM 856 C GLN A 52 3.386 -16.148 5.618 1.00 0.00 C ATOM 857 O GLN A 52 2.569 -15.227 5.600 1.00 0.00 O ATOM 858 CB GLN A 52 3.363 -18.267 4.289 1.00 0.00 C ATOM 859 CG GLN A 52 1.868 -18.412 4.057 1.00 0.00 C ATOM 860 CD GLN A 52 1.240 -19.474 4.939 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.418 -20.671 4.711 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.501 -19.041 5.953 1.00 0.00 N ATOM 0 H GLN A 52 5.760 -17.653 4.280 1.00 0.00 H new ATOM 0 HA GLN A 52 3.397 -16.275 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.898 -18.797 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.624 -18.748 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.381 -17.455 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.689 -18.662 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.380 -18.040 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.054 -19.710 6.580 1.00 0.00 H new ATOM 871 N GLU A 53 3.922 -16.620 6.739 1.00 0.00 N ATOM 872 CA GLU A 53 3.570 -16.070 8.043 1.00 0.00 C ATOM 873 C GLU A 53 3.790 -14.560 8.074 1.00 0.00 C ATOM 874 O GLU A 53 3.093 -13.833 8.783 1.00 0.00 O ATOM 875 CB GLU A 53 4.396 -16.740 9.143 1.00 0.00 C ATOM 876 CG GLU A 53 3.778 -18.022 9.674 1.00 0.00 C ATOM 877 CD GLU A 53 4.643 -18.696 10.722 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.675 -19.289 10.346 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.286 -18.632 11.916 1.00 0.00 O ATOM 0 H GLU A 53 4.601 -17.381 6.771 1.00 0.00 H new ATOM 0 HA GLU A 53 2.513 -16.269 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.391 -16.960 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.523 -16.039 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.801 -17.799 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.613 -18.712 8.846 1.00 0.00 H new ATOM 886 N LYS A 54 4.765 -14.095 7.301 1.00 0.00 N ATOM 887 CA LYS A 54 5.078 -12.672 7.238 1.00 0.00 C ATOM 888 C LYS A 54 4.035 -11.921 6.416 1.00 0.00 C ATOM 889 O LYS A 54 3.444 -10.948 6.886 1.00 0.00 O ATOM 890 CB LYS A 54 6.468 -12.461 6.631 1.00 0.00 C ATOM 891 CG LYS A 54 7.597 -12.980 7.505 1.00 0.00 C ATOM 892 CD LYS A 54 8.048 -11.935 8.511 1.00 0.00 C ATOM 893 CE LYS A 54 7.272 -12.043 9.815 1.00 0.00 C ATOM 894 NZ LYS A 54 8.049 -11.513 10.969 1.00 0.00 N ATOM 0 H LYS A 54 5.352 -14.683 6.709 1.00 0.00 H new ATOM 0 HA LYS A 54 5.067 -12.278 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.512 -12.958 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.619 -11.397 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.268 -13.876 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.440 -13.270 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.113 -12.056 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.913 -10.940 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.334 -11.494 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.015 -13.086 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.486 -11.605 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.932 -12.053 11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.273 -10.511 10.806 1.00 0.00 H new ATOM 908 N ILE A 55 3.813 -12.380 5.189 1.00 0.00 N ATOM 909 CA ILE A 55 2.838 -11.752 4.305 1.00 0.00 C ATOM 910 C ILE A 55 1.457 -11.715 4.947 1.00 0.00 C ATOM 911 O ILE A 55 0.828 -10.660 5.033 1.00 0.00 O ATOM 912 CB ILE A 55 2.746 -12.489 2.955 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.084 -12.414 2.216 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.631 -11.898 2.104 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.280 -13.525 1.208 1.00 0.00 C ATOM 0 H ILE A 55 4.294 -13.183 4.785 1.00 0.00 H new ATOM 0 HA ILE A 55 3.181 -10.732 4.130 1.00 0.00 H new ATOM 0 HB ILE A 55 2.515 -13.537 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.154 -11.454 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.894 -12.448 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.578 -12.429 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.681 -11.998 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.834 -10.843 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.249 -13.409 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.242 -14.488 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.490 -13.479 0.458 1.00 0.00 H new ATOM 927 N ILE A 56 0.989 -12.875 5.397 1.00 0.00 N ATOM 928 CA ILE A 56 -0.318 -12.975 6.035 1.00 0.00 C ATOM 929 C ILE A 56 -0.437 -12.000 7.201 1.00 0.00 C ATOM 930 O ILE A 56 -1.498 -11.423 7.437 1.00 0.00 O ATOM 931 CB ILE A 56 -0.588 -14.403 6.545 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.983 -14.491 7.167 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.474 -14.815 7.552 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.351 -15.882 7.632 1.00 0.00 C ATOM 0 H ILE A 56 1.495 -13.758 5.331 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.059 -12.723 5.277 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.544 -15.089 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.038 -13.807 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.719 -14.154 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.269 -15.826 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.455 -14.787 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.460 -14.127 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.353 -15.869 8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.329 -16.567 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.637 -16.214 8.386 1.00 0.00 H new ATOM 946 N ARG A 57 0.661 -11.820 7.929 1.00 0.00 N ATOM 947 CA ARG A 57 0.680 -10.914 9.071 1.00 0.00 C ATOM 948 C ARG A 57 0.470 -9.471 8.624 1.00 0.00 C ATOM 949 O ARG A 57 -0.410 -8.776 9.131 1.00 0.00 O ATOM 950 CB ARG A 57 2.006 -11.038 9.825 1.00 0.00 C ATOM 951 CG ARG A 57 1.878 -11.725 11.174 1.00 0.00 C ATOM 952 CD ARG A 57 1.311 -13.130 11.033 1.00 0.00 C ATOM 953 NE ARG A 57 2.177 -14.134 11.643 1.00 0.00 N ATOM 954 CZ ARG A 57 1.822 -15.402 11.820 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.624 -15.817 11.435 1.00 0.00 N ATOM 956 NH2 ARG A 57 2.668 -16.256 12.382 1.00 0.00 N ATOM 0 H ARG A 57 1.548 -12.289 7.748 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.137 -11.192 9.737 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.713 -11.594 9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.425 -10.043 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.856 -11.773 11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.233 -11.135 11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.326 -13.171 11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.176 -13.362 9.977 1.00 0.00 H new ATOM 0 HE ARG A 57 3.106 -13.846 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.028 -15.163 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.353 -16.791 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.591 -15.939 12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.395 -17.229 12.518 1.00 0.00 H new ATOM 970 N GLU A 58 1.285 -9.026 7.673 1.00 0.00 N ATOM 971 CA GLU A 58 1.189 -7.665 7.159 1.00 0.00 C ATOM 972 C GLU A 58 -0.163 -7.430 6.489 1.00 0.00 C ATOM 973 O GLU A 58 -0.813 -6.411 6.719 1.00 0.00 O ATOM 974 CB GLU A 58 2.317 -7.391 6.164 1.00 0.00 C ATOM 975 CG GLU A 58 3.588 -6.868 6.813 1.00 0.00 C ATOM 976 CD GLU A 58 4.538 -6.239 5.812 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.182 -6.170 4.617 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.639 -5.815 6.225 1.00 0.00 O ATOM 0 H GLU A 58 2.019 -9.588 7.243 1.00 0.00 H new ATOM 0 HA GLU A 58 1.282 -6.979 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.546 -8.310 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.971 -6.667 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.327 -6.131 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.094 -7.687 7.324 1.00 0.00 H new ATOM 985 N LEU A 59 -0.578 -8.382 5.661 1.00 0.00 N ATOM 986 CA LEU A 59 -1.852 -8.281 4.958 1.00 0.00 C ATOM 987 C LEU A 59 -3.020 -8.302 5.938 1.00 0.00 C ATOM 988 O LEU A 59 -4.061 -7.691 5.694 1.00 0.00 O ATOM 989 CB LEU A 59 -1.995 -9.425 3.952 1.00 0.00 C ATOM 990 CG LEU A 59 -2.973 -9.189 2.801 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.578 -7.952 2.010 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.032 -10.410 1.893 1.00 0.00 C ATOM 0 H LEU A 59 -0.051 -9.232 5.460 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.868 -7.331 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.012 -9.636 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.309 -10.319 4.491 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.966 -9.024 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.286 -7.800 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.588 -7.082 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.577 -8.086 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.733 -10.225 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.042 -10.606 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.364 -11.275 2.467 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.839 -9.005 7.050 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.877 -9.103 8.071 1.00 0.00 C ATOM 1006 C ASP A 60 -4.075 -7.765 8.774 1.00 0.00 C ATOM 1007 O ASP A 60 -5.187 -7.242 8.834 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.516 -10.182 9.093 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.523 -10.268 10.223 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.612 -10.841 10.005 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.222 -9.765 11.325 1.00 0.00 O ATOM 0 H ASP A 60 -1.983 -9.516 7.268 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.811 -9.377 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.454 -11.148 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.529 -9.973 9.505 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.987 -7.213 9.304 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.042 -5.935 10.003 1.00 0.00 C ATOM 1018 C VAL A 61 -3.524 -4.823 9.078 1.00 0.00 C ATOM 1019 O VAL A 61 -4.290 -3.950 9.487 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.665 -5.549 10.576 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.270 -6.495 11.701 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.613 -5.547 9.477 1.00 0.00 C ATOM 0 H VAL A 61 -2.058 -7.631 9.262 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.749 -6.054 10.824 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.731 -4.542 10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.295 -6.207 12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.012 -6.442 12.498 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.220 -7.514 11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.354 -5.272 9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.547 -6.541 9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.891 -4.826 8.708 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.073 -4.862 7.829 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.460 -3.858 6.844 1.00 0.00 C ATOM 1034 C VAL A 62 -4.938 -3.976 6.492 1.00 0.00 C ATOM 1035 O VAL A 62 -5.698 -3.016 6.630 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.625 -3.984 5.557 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.158 -3.051 4.481 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.158 -3.699 5.842 1.00 0.00 C ATOM 0 H VAL A 62 -2.439 -5.578 7.474 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.274 -2.883 7.295 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.708 -5.007 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.555 -3.154 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.193 -3.308 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.108 -2.021 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.583 -3.793 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.053 -2.687 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.785 -4.413 6.577 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.341 -5.158 6.038 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.729 -5.401 5.666 1.00 0.00 C ATOM 1050 C CYS A 63 -7.662 -5.144 6.845 1.00 0.00 C ATOM 1051 O CYS A 63 -8.832 -4.809 6.663 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.901 -6.837 5.167 1.00 0.00 C ATOM 1053 SG CYS A 63 -7.010 -8.068 6.487 1.00 0.00 S ATOM 0 H CYS A 63 -4.726 -5.963 5.919 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.990 -4.711 4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.803 -6.893 4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.062 -7.088 4.519 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.207 -7.739 7.455 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.135 -5.305 8.054 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.920 -5.090 9.265 1.00 0.00 C ATOM 1061 C ALA A 64 -8.181 -3.605 9.493 1.00 0.00 C ATOM 1062 O ALA A 64 -9.331 -3.172 9.567 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.212 -5.694 10.467 1.00 0.00 C ATOM 0 H ALA A 64 -6.168 -5.583 8.222 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.882 -5.586 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.809 -5.526 11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.083 -6.765 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.236 -5.224 10.588 1.00 0.00 H new ATOM 1069 N MET A 65 -7.107 -2.830 9.603 1.00 0.00 N ATOM 1070 CA MET A 65 -7.221 -1.393 9.823 1.00 0.00 C ATOM 1071 C MET A 65 -7.943 -0.721 8.659 1.00 0.00 C ATOM 1072 O MET A 65 -8.668 0.256 8.848 1.00 0.00 O ATOM 1073 CB MET A 65 -5.835 -0.772 10.006 1.00 0.00 C ATOM 1074 CG MET A 65 -5.078 -0.579 8.702 1.00 0.00 C ATOM 1075 SD MET A 65 -3.426 0.098 8.951 1.00 0.00 S ATOM 1076 CE MET A 65 -2.590 -1.307 9.681 1.00 0.00 C ATOM 0 H MET A 65 -6.148 -3.173 9.543 1.00 0.00 H new ATOM 0 HA MET A 65 -7.804 -1.234 10.730 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.941 0.193 10.501 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.246 -1.407 10.668 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.000 -1.536 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.645 0.087 8.052 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.830 -0.956 10.379 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.314 -1.925 10.212 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.116 -1.897 8.896 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.739 -1.250 7.457 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.372 -0.701 6.264 1.00 0.00 C ATOM 1088 C ILE A 66 -9.864 -1.011 6.240 1.00 0.00 C ATOM 1089 O ILE A 66 -10.686 -0.133 5.981 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.724 -1.251 4.980 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.651 -0.286 4.470 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.781 -1.487 3.913 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.596 0.045 5.502 1.00 0.00 C ATOM 0 H ILE A 66 -7.141 -2.058 7.284 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.229 0.379 6.300 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.249 -2.204 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.168 -0.722 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.130 0.637 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.307 -1.876 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.512 -2.208 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.282 -0.547 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.869 0.733 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.067 0.510 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.091 -0.870 5.812 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.206 -2.266 6.515 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.601 -2.693 6.525 1.00 0.00 C ATOM 1107 C GLU A 67 -12.408 -1.886 7.540 1.00 0.00 C ATOM 1108 O GLU A 67 -13.500 -1.406 7.240 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.699 -4.184 6.850 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.561 -5.082 5.632 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.527 -6.554 5.993 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.041 -6.884 7.095 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -11.987 -7.377 5.173 1.00 0.00 O ATOM 0 H GLU A 67 -9.537 -3.004 6.734 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.016 -2.517 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.923 -4.442 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.658 -4.381 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.394 -4.897 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.649 -4.822 5.095 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.860 -1.741 8.743 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.542 -0.994 9.783 1.00 0.00 C ATOM 1122 C GLY A 68 -12.621 0.488 9.475 1.00 0.00 C ATOM 1123 O GLY A 68 -13.699 1.080 9.510 1.00 0.00 O ATOM 0 H GLY A 68 -10.956 -2.128 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.550 -1.390 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.022 -1.138 10.730 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.474 1.090 9.177 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.418 2.513 8.862 1.00 0.00 C ATOM 1129 C ALA A 69 -12.293 2.843 7.658 1.00 0.00 C ATOM 1130 O ALA A 69 -13.180 3.693 7.740 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.980 2.939 8.604 1.00 0.00 C ATOM 0 H ALA A 69 -10.572 0.615 9.147 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.802 3.066 9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.952 4.003 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.379 2.747 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.578 2.372 7.764 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.039 2.167 6.543 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.805 2.391 5.322 1.00 0.00 C ATOM 1139 C GLN A 70 -14.291 2.147 5.559 1.00 0.00 C ATOM 1140 O GLN A 70 -15.135 2.942 5.148 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.299 1.480 4.203 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.550 2.031 2.808 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.593 0.947 1.751 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -11.871 1.006 0.755 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.441 -0.053 1.962 1.00 0.00 N ATOM 0 H GLN A 70 -11.309 1.460 6.459 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.669 3.431 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.229 1.318 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.782 0.507 4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.494 2.577 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.766 2.746 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.021 -0.062 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.513 -0.812 1.285 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.605 1.041 6.227 1.00 0.00 N ATOM 1155 CA GLY A 71 -15.991 0.712 6.507 1.00 0.00 C ATOM 1156 C GLY A 71 -16.722 1.834 7.216 1.00 0.00 C ATOM 1157 O GLY A 71 -17.795 2.255 6.786 1.00 0.00 O ATOM 0 H GLY A 71 -13.925 0.367 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.503 0.483 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.031 -0.188 7.121 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.140 2.321 8.308 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.742 3.401 9.079 1.00 0.00 C ATOM 1163 C ALA A 72 -16.747 4.704 8.285 1.00 0.00 C ATOM 1164 O ALA A 72 -17.737 5.436 8.280 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.005 3.585 10.396 1.00 0.00 C ATOM 0 H ALA A 72 -15.251 1.984 8.678 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.776 3.131 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.466 4.395 10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.058 2.663 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.961 3.829 10.198 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.634 4.989 7.618 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.509 6.204 6.822 1.00 0.00 C ATOM 1173 C LEU A 73 -16.612 6.283 5.772 1.00 0.00 C ATOM 1174 O LEU A 73 -17.285 7.305 5.642 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.139 6.254 6.144 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.603 7.648 5.816 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.124 7.584 5.470 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.393 8.268 4.672 1.00 0.00 C ATOM 0 H LEU A 73 -14.805 4.395 7.613 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.608 7.059 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.418 5.752 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.193 5.680 5.219 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.722 8.278 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.761 8.585 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.569 7.183 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.981 6.938 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.998 9.260 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.306 7.638 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.442 8.351 4.957 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.793 5.197 5.028 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.816 5.144 3.990 1.00 0.00 C ATOM 1192 C GLU A 74 -19.212 5.238 4.598 1.00 0.00 C ATOM 1193 O GLU A 74 -20.048 6.020 4.142 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.686 3.853 3.179 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.484 3.835 2.250 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.641 4.780 1.075 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.794 5.020 0.658 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.613 5.280 0.574 1.00 0.00 O ATOM 0 H GLU A 74 -16.245 4.342 5.124 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.669 5.996 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.617 3.009 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.592 3.712 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.591 4.106 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.332 2.822 1.879 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.459 4.436 5.628 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.754 4.427 6.297 1.00 0.00 C ATOM 1207 C ARG A 75 -21.073 5.799 6.884 1.00 0.00 C ATOM 1208 O ARG A 75 -22.238 6.161 7.042 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.772 3.372 7.404 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.170 3.005 7.874 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.989 2.382 6.754 1.00 0.00 C ATOM 1212 NE ARG A 75 -24.077 1.553 7.267 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.950 0.923 6.489 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -24.863 1.025 5.170 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -25.912 0.187 7.030 1.00 0.00 N ATOM 0 H ARG A 75 -18.779 3.783 6.018 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.515 4.181 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.271 2.473 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.197 3.740 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.103 2.307 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.676 3.897 8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.400 3.171 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.338 1.776 6.123 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.171 1.452 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.124 1.589 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.535 0.540 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.982 0.105 8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.582 -0.296 6.432 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.028 6.558 7.202 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.198 7.890 7.772 1.00 0.00 C ATOM 1231 C GLU A 76 -20.569 8.900 6.691 1.00 0.00 C ATOM 1232 O GLU A 76 -21.576 9.603 6.801 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.917 8.332 8.481 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.036 9.683 9.167 1.00 0.00 C ATOM 1235 CD GLU A 76 -17.907 9.942 10.145 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -16.823 9.348 9.972 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -18.108 10.741 11.085 1.00 0.00 O ATOM 0 H GLU A 76 -19.057 6.274 7.075 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.010 7.846 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.644 7.581 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.105 8.373 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.046 10.470 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.988 9.736 9.695 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.752 8.968 5.647 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.992 9.893 4.545 1.00 0.00 C ATOM 1246 C LEU A 77 -21.276 9.534 3.804 1.00 0.00 C ATOM 1247 O LEU A 77 -21.880 10.378 3.141 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.810 9.880 3.574 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.395 8.510 3.039 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.219 8.144 1.814 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.910 8.491 2.711 1.00 0.00 C ATOM 0 H LEU A 77 -18.916 8.393 5.540 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.101 10.894 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.055 10.520 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.951 10.328 4.073 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.583 7.767 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.910 7.165 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.275 8.114 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.063 8.890 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.634 7.507 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.695 9.245 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.336 8.707 3.612 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.690 8.277 3.922 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.904 7.806 3.267 1.00 0.00 C ATOM 1265 C LYS A 78 -24.131 8.531 3.811 1.00 0.00 C ATOM 1266 O LYS A 78 -25.203 8.499 3.203 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.062 6.297 3.463 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.496 5.472 2.321 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.435 5.454 1.127 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.734 4.958 -0.128 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.046 3.657 0.098 1.00 0.00 N ATOM 0 H LYS A 78 -21.202 7.566 4.466 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.819 8.020 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.568 6.006 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.120 6.063 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.531 5.880 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.319 4.452 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.289 4.813 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.825 6.457 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.462 4.849 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.007 5.701 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.756 3.254 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.206 3.807 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.695 3.000 0.576 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.496 15.929 -4.444 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.821 16.961 -5.224 1.00 0.00 C ATOM 1356 C ASN A 83 -24.050 16.345 -6.388 1.00 0.00 C ATOM 1357 O ASN A 83 -23.606 15.198 -6.314 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.870 17.763 -4.335 1.00 0.00 C ATOM 1359 CG ASN A 83 -24.128 19.255 -4.411 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.641 19.856 -3.466 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.773 19.861 -5.538 1.00 0.00 N ATOM 0 HA ASN A 83 -25.580 17.631 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.976 17.431 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.841 17.559 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.922 20.864 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.351 19.323 -6.295 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.894 17.115 -7.460 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.175 16.645 -8.638 1.00 0.00 C ATOM 1370 C ILE A 84 -21.728 16.301 -8.299 1.00 0.00 C ATOM 1371 O ILE A 84 -21.278 15.177 -8.519 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.190 17.697 -9.762 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.630 18.062 -10.129 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.442 17.179 -10.982 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.737 19.293 -11.004 1.00 0.00 C ATOM 0 H ILE A 84 -24.255 18.066 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.688 15.747 -8.983 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.687 18.596 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -25.090 17.219 -10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.199 18.226 -9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.461 17.934 -11.768 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.408 16.964 -10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.920 16.268 -11.342 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.786 19.493 -11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.307 20.148 -10.483 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.196 19.126 -11.935 1.00 0.00 H new ATOM 1387 N LEU A 85 -21.006 17.277 -7.758 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.609 17.078 -7.386 1.00 0.00 C ATOM 1389 C LEU A 85 -19.477 15.975 -6.339 1.00 0.00 C ATOM 1390 O LEU A 85 -18.667 15.060 -6.487 1.00 0.00 O ATOM 1391 CB LEU A 85 -19.014 18.380 -6.849 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.664 18.259 -6.141 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.575 17.872 -7.130 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.310 19.563 -5.440 1.00 0.00 C ATOM 0 H LEU A 85 -21.364 18.213 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 85 -19.060 16.775 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.905 19.076 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.728 18.823 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.740 17.474 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.622 17.791 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.822 16.913 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.500 18.634 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.346 19.458 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.254 20.367 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -18.076 19.799 -4.702 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.280 16.069 -5.283 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.252 15.079 -4.214 1.00 0.00 C ATOM 1408 C GLU A 86 -20.532 13.681 -4.759 1.00 0.00 C ATOM 1409 O GLU A 86 -19.931 12.701 -4.320 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.278 15.433 -3.135 1.00 0.00 C ATOM 1411 CG GLU A 86 -21.006 16.760 -2.448 1.00 0.00 C ATOM 1412 CD GLU A 86 -22.100 17.149 -1.473 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.838 16.250 -1.020 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -22.219 18.354 -1.165 1.00 0.00 O ATOM 0 H GLU A 86 -20.957 16.820 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.255 15.085 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.270 15.463 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.292 14.642 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.056 16.702 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.903 17.540 -3.202 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.450 13.600 -5.716 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.812 12.323 -6.320 1.00 0.00 C ATOM 1423 C ARG A 87 -20.633 11.730 -7.087 1.00 0.00 C ATOM 1424 O ARG A 87 -20.331 10.544 -6.962 1.00 0.00 O ATOM 1425 CB ARG A 87 -23.008 12.499 -7.257 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.473 11.203 -7.902 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.894 11.322 -8.429 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.431 10.030 -8.851 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.540 9.894 -9.569 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -27.226 10.965 -9.943 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -26.965 8.686 -9.914 1.00 0.00 N ATOM 0 H ARG A 87 -21.957 14.403 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.085 11.635 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.836 12.934 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.744 13.210 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.801 10.941 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.420 10.394 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.534 11.745 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.912 12.014 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.926 9.186 -8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.902 11.896 -9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -28.077 10.858 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -26.440 7.860 -9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -27.817 8.583 -10.465 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.972 12.565 -7.882 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.828 12.124 -8.671 1.00 0.00 C ATOM 1447 C PHE A 88 -17.711 11.608 -7.768 1.00 0.00 C ATOM 1448 O PHE A 88 -17.254 10.475 -7.915 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.307 13.272 -9.539 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.013 12.958 -10.234 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.899 11.838 -11.041 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.911 13.784 -10.083 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.710 11.546 -11.682 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.720 13.498 -10.721 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.619 12.378 -11.523 1.00 0.00 C ATOM 0 H PHE A 88 -20.209 13.550 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.156 11.309 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.060 13.523 -10.286 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.170 14.155 -8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.749 11.185 -11.171 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.984 14.662 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.634 10.668 -12.307 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.868 14.150 -10.593 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.689 12.153 -12.025 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.278 12.448 -6.834 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.214 12.077 -5.908 1.00 0.00 C ATOM 1467 C ASN A 89 -16.578 10.810 -5.139 1.00 0.00 C ATOM 1468 O ASN A 89 -15.745 9.922 -4.955 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.942 13.220 -4.927 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.748 14.550 -5.629 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -16.366 15.551 -5.269 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.885 14.565 -6.639 1.00 0.00 N ATOM 0 H ASN A 89 -17.647 13.389 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.313 11.882 -6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.773 13.300 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.053 12.988 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.713 15.431 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.394 13.711 -6.903 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.828 10.733 -4.694 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.302 9.576 -3.945 1.00 0.00 C ATOM 1481 C TYR A 90 -18.299 8.323 -4.817 1.00 0.00 C ATOM 1482 O TYR A 90 -17.891 7.250 -4.376 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.711 9.833 -3.408 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.729 10.547 -2.075 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.868 11.607 -1.820 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.607 10.161 -1.069 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.880 12.262 -0.604 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.627 10.810 0.150 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.762 11.860 0.377 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.778 12.510 1.590 1.00 0.00 O ATOM 0 H TYR A 90 -18.530 11.458 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.624 9.415 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.266 10.425 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.232 8.881 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.177 11.925 -2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.286 9.339 -1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.203 13.084 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.316 10.497 0.921 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.457 12.105 2.169 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.757 8.472 -6.055 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.807 7.353 -6.989 1.00 0.00 C ATOM 1502 C GLU A 91 -17.423 6.737 -7.176 1.00 0.00 C ATOM 1503 O GLU A 91 -17.239 5.535 -6.990 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.360 7.813 -8.340 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.581 6.677 -9.325 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.719 6.952 -10.288 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.154 8.120 -10.376 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.177 5.999 -10.953 1.00 0.00 O ATOM 0 H GLU A 91 -19.098 9.355 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.469 6.594 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.305 8.332 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.671 8.534 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.665 6.508 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.790 5.760 -8.775 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.457 7.571 -7.545 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.090 7.108 -7.759 1.00 0.00 C ATOM 1517 C GLU A 92 -14.507 6.523 -6.476 1.00 0.00 C ATOM 1518 O GLU A 92 -13.916 5.444 -6.485 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.210 8.258 -8.253 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.989 7.798 -9.033 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.335 7.325 -10.431 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -13.480 8.181 -11.329 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -13.459 6.098 -10.628 1.00 0.00 O ATOM 0 H GLU A 92 -16.594 8.569 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.113 6.326 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.807 8.916 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.883 8.848 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.273 8.618 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.499 6.989 -8.491 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.680 7.243 -5.371 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.173 6.796 -4.080 1.00 0.00 C ATOM 1532 C ALA A 93 -14.617 5.368 -3.781 1.00 0.00 C ATOM 1533 O ALA A 93 -13.811 4.528 -3.382 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.634 7.736 -2.978 1.00 0.00 C ATOM 0 H ALA A 93 -15.168 8.138 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.084 6.809 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.248 7.390 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.262 8.741 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.723 7.752 -2.946 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.904 5.100 -3.977 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.455 3.774 -3.726 1.00 0.00 C ATOM 1542 C GLN A 94 -15.898 2.757 -4.716 1.00 0.00 C ATOM 1543 O GLN A 94 -15.627 1.610 -4.360 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.982 3.807 -3.815 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.659 2.653 -3.094 1.00 0.00 C ATOM 1546 CD GLN A 94 -20.079 2.419 -3.571 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.637 3.226 -4.315 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.672 1.309 -3.146 1.00 0.00 N ATOM 0 H GLN A 94 -16.584 5.784 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.164 3.472 -2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.342 4.747 -3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.277 3.792 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.076 1.744 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.668 2.854 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.172 0.668 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.627 1.098 -3.436 1.00 0.00 H new ATOM 1557 N THR A 95 -15.729 3.185 -5.964 1.00 0.00 N ATOM 1558 CA THR A 95 -15.205 2.311 -7.006 1.00 0.00 C ATOM 1559 C THR A 95 -13.841 1.751 -6.621 1.00 0.00 C ATOM 1560 O THR A 95 -13.626 0.539 -6.657 1.00 0.00 O ATOM 1561 CB THR A 95 -15.081 3.054 -8.351 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.364 3.543 -8.760 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.517 2.137 -9.425 1.00 0.00 C ATOM 0 H THR A 95 -15.947 4.131 -6.277 1.00 0.00 H new ATOM 0 HA THR A 95 -15.913 1.490 -7.115 1.00 0.00 H new ATOM 0 HB THR A 95 -14.398 3.893 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.656 4.248 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.439 2.683 -10.365 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.529 1.789 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.179 1.281 -9.557 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.925 2.639 -6.252 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.581 2.231 -5.859 1.00 0.00 C ATOM 1573 C LEU A 96 -11.612 1.431 -4.560 1.00 0.00 C ATOM 1574 O LEU A 96 -10.927 0.417 -4.428 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.682 3.458 -5.694 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.370 4.239 -6.971 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.540 5.473 -6.654 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.647 3.352 -7.974 1.00 0.00 C ATOM 0 H LEU A 96 -13.088 3.645 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.177 1.595 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.154 4.136 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.740 3.136 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.311 4.564 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.328 6.016 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.093 6.118 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.603 5.171 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.433 3.924 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.713 2.997 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.277 2.499 -8.226 1.00 0.00 H new ATOM 1590 N SER A 97 -12.413 1.894 -3.606 1.00 0.00 N ATOM 1591 CA SER A 97 -12.533 1.222 -2.317 1.00 0.00 C ATOM 1592 C SER A 97 -13.001 -0.219 -2.496 1.00 0.00 C ATOM 1593 O SER A 97 -12.451 -1.142 -1.896 1.00 0.00 O ATOM 1594 CB SER A 97 -13.509 1.978 -1.413 1.00 0.00 C ATOM 1595 OG SER A 97 -12.844 2.995 -0.683 1.00 0.00 O ATOM 0 H SER A 97 -12.988 2.731 -3.701 1.00 0.00 H new ATOM 0 HA SER A 97 -11.549 1.210 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.302 2.419 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.984 1.281 -0.722 1.00 0.00 H new ATOM 0 HG SER A 97 -12.181 2.589 -0.086 1.00 0.00 H new ATOM 1601 N LYS A 98 -14.021 -0.404 -3.328 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.564 -1.731 -3.590 1.00 0.00 C ATOM 1603 C LYS A 98 -13.523 -2.624 -4.259 1.00 0.00 C ATOM 1604 O LYS A 98 -13.280 -3.747 -3.817 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.808 -1.630 -4.474 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.928 -2.569 -4.060 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.968 -2.715 -5.158 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.807 -1.455 -5.302 1.00 0.00 C ATOM 1609 NZ LYS A 98 -18.204 -0.496 -6.268 1.00 0.00 N ATOM 0 H LYS A 98 -14.488 0.349 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.840 -2.178 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.178 -0.605 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.528 -1.844 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.513 -3.547 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.404 -2.192 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.472 -2.933 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.617 -3.562 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.810 -1.722 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.911 -0.974 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.076 0.427 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.281 -0.856 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.833 -0.389 -7.089 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.911 -2.115 -5.324 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.896 -2.865 -6.051 1.00 0.00 C ATOM 1625 C ILE A 99 -10.756 -3.284 -5.128 1.00 0.00 C ATOM 1626 O ILE A 99 -10.275 -4.415 -5.192 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.320 -2.046 -7.221 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.431 -1.667 -8.201 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.226 -2.830 -7.929 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.142 -0.404 -8.983 1.00 0.00 C ATOM 0 H ILE A 99 -13.101 -1.187 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.385 -3.755 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.883 -1.130 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.585 -2.490 -8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.362 -1.538 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.829 -2.238 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.425 -3.054 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.639 -3.761 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.972 -0.196 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.017 0.431 -8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.228 -0.536 -9.562 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.329 -2.363 -4.270 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.246 -2.637 -3.332 1.00 0.00 C ATOM 1644 C LEU A 100 -9.628 -3.758 -2.371 1.00 0.00 C ATOM 1645 O LEU A 100 -8.882 -4.724 -2.200 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.896 -1.372 -2.544 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.488 -0.817 -2.757 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.236 0.367 -1.837 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.446 -1.903 -2.531 1.00 0.00 C ATOM 0 H LEU A 100 -10.716 -1.421 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.375 -2.955 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.614 -0.595 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.025 -1.582 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.406 -0.473 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.229 0.749 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.961 1.153 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.337 0.049 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.450 -1.489 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.527 -2.279 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.614 -2.720 -3.233 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.793 -3.626 -1.748 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.276 -4.629 -0.806 1.00 0.00 C ATOM 1663 C LEU A 101 -11.298 -6.013 -1.447 1.00 0.00 C ATOM 1664 O LEU A 101 -10.901 -7.001 -0.831 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.676 -4.261 -0.311 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.764 -3.723 1.118 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -11.740 -2.619 1.335 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -14.168 -3.216 1.411 1.00 0.00 C ATOM 0 H LEU A 101 -11.422 -2.833 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.592 -4.653 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.093 -3.513 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.309 -5.145 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.543 -4.537 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.816 -2.248 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.738 -3.014 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.931 -1.804 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -14.212 -2.837 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.418 -2.415 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.881 -4.032 1.296 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.762 -6.075 -2.691 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.834 -7.336 -3.420 1.00 0.00 C ATOM 1682 C LYS A 102 -10.443 -7.934 -3.607 1.00 0.00 C ATOM 1683 O LYS A 102 -10.213 -9.103 -3.296 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.497 -7.124 -4.782 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.100 -8.390 -5.368 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.057 -8.077 -6.505 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.344 -7.393 -7.662 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.106 -7.517 -8.935 1.00 0.00 N ATOM 0 H LYS A 102 -12.094 -5.266 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.435 -8.032 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.279 -6.371 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.759 -6.727 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.303 -9.040 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.628 -8.938 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.521 -8.999 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.859 -7.436 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.199 -6.339 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.354 -7.830 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.587 -7.038 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.222 -8.523 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.042 -7.077 -8.824 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.519 -7.126 -4.116 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.150 -7.577 -4.341 1.00 0.00 C ATOM 1704 C ASP A 103 -7.501 -8.019 -3.034 1.00 0.00 C ATOM 1705 O ASP A 103 -6.817 -9.043 -2.983 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.324 -6.461 -4.985 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.401 -6.483 -6.498 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.726 -7.334 -7.114 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.136 -5.649 -7.068 1.00 0.00 O ATOM 0 H ASP A 103 -9.693 -6.156 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.181 -8.432 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.676 -5.496 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.283 -6.559 -4.676 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.716 -7.240 -1.980 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.151 -7.551 -0.671 1.00 0.00 C ATOM 1716 C LEU A 104 -7.691 -8.878 -0.146 1.00 0.00 C ATOM 1717 O LEU A 104 -6.935 -9.715 0.349 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.466 -6.430 0.321 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.260 -5.757 0.978 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -6.688 -4.499 1.717 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -5.562 -6.722 1.926 1.00 0.00 C ATOM 0 H LEU A 104 -8.277 -6.389 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.070 -7.638 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.046 -5.666 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.103 -6.836 1.107 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.556 -5.473 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.817 -4.034 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.143 -3.801 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.412 -4.759 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.706 -6.226 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.259 -7.036 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.221 -7.595 1.370 1.00 0.00 H new ATOM 1733 N LYS A 105 -9.001 -9.063 -0.258 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.643 -10.289 0.203 1.00 0.00 C ATOM 1735 C LYS A 105 -9.066 -11.506 -0.513 1.00 0.00 C ATOM 1736 O LYS A 105 -8.696 -12.493 0.123 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.154 -10.217 -0.030 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.902 -9.469 1.060 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.071 -10.324 2.305 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.213 -11.318 2.148 1.00 0.00 C ATOM 1741 NZ LYS A 105 -13.560 -11.972 3.440 1.00 0.00 N ATOM 0 H LYS A 105 -9.640 -8.380 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.451 -10.391 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.343 -9.732 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.551 -11.230 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.362 -8.557 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.881 -9.166 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.145 -10.862 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.261 -9.682 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.090 -10.804 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.935 -12.079 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.342 -12.642 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.731 -12.483 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.850 -11.248 4.128 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.991 -11.429 -1.837 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.458 -12.525 -2.637 1.00 0.00 C ATOM 1757 C GLU A 106 -7.029 -12.860 -2.218 1.00 0.00 C ATOM 1758 O GLU A 106 -6.711 -14.010 -1.915 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.494 -12.166 -4.124 1.00 0.00 C ATOM 1760 CG GLU A 106 -9.800 -12.530 -4.808 1.00 0.00 C ATOM 1761 CD GLU A 106 -10.105 -11.639 -5.996 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.774 -10.437 -5.938 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -10.677 -12.146 -6.985 1.00 0.00 O ATOM 0 H GLU A 106 -9.293 -10.619 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.083 -13.402 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.322 -11.095 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.674 -12.674 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.755 -13.568 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.615 -12.460 -4.087 1.00 0.00 H new ATOM 1770 N THR A 107 -6.169 -11.845 -2.205 1.00 0.00 N ATOM 1771 CA THR A 107 -4.774 -12.030 -1.825 1.00 0.00 C ATOM 1772 C THR A 107 -4.660 -12.753 -0.488 1.00 0.00 C ATOM 1773 O THR A 107 -3.959 -13.758 -0.373 1.00 0.00 O ATOM 1774 CB THR A 107 -4.034 -10.684 -1.733 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.933 -9.658 -1.298 1.00 0.00 O ATOM 1776 CG2 THR A 107 -3.435 -10.302 -3.079 1.00 0.00 C ATOM 0 H THR A 107 -6.415 -10.887 -2.453 1.00 0.00 H new ATOM 0 HA THR A 107 -4.312 -12.637 -2.604 1.00 0.00 H new ATOM 0 HB THR A 107 -3.226 -10.789 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.376 -9.260 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.917 -9.347 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.728 -11.070 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.230 -10.215 -3.820 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.353 -12.234 0.521 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.328 -12.831 1.851 1.00 0.00 C ATOM 1786 C GLU A 108 -5.741 -14.299 1.797 1.00 0.00 C ATOM 1787 O GLU A 108 -5.099 -15.157 2.402 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.255 -12.064 2.797 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.380 -12.696 4.173 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.719 -11.685 5.251 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -5.782 -11.103 5.837 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -7.923 -11.475 5.508 1.00 0.00 O ATOM 0 H GLU A 108 -5.938 -11.402 0.443 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.307 -12.772 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.885 -11.045 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.245 -11.997 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.151 -13.466 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.443 -13.192 4.427 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.816 -14.578 1.067 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.315 -15.942 0.935 1.00 0.00 C ATOM 1801 C GLN A 109 -6.219 -16.877 0.435 1.00 0.00 C ATOM 1802 O GLN A 109 -5.956 -17.919 1.036 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.509 -15.980 -0.022 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.792 -15.435 0.585 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.581 -16.493 1.329 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -11.336 -17.259 0.729 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.411 -16.543 2.646 1.00 0.00 N ATOM 0 H GLN A 109 -7.358 -13.879 0.559 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.636 -16.281 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.266 -15.405 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.676 -17.009 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.549 -14.621 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.413 -15.013 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.775 -15.889 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.916 -17.235 3.199 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.582 -16.498 -0.668 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.514 -17.302 -1.248 1.00 0.00 C ATOM 1818 C LYS A 110 -3.401 -17.543 -0.233 1.00 0.00 C ATOM 1819 O LYS A 110 -2.952 -18.673 -0.045 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.945 -16.610 -2.489 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.664 -16.979 -3.775 1.00 0.00 C ATOM 1822 CD LYS A 110 -5.929 -16.157 -3.962 1.00 0.00 C ATOM 1823 CE LYS A 110 -6.805 -16.725 -5.067 1.00 0.00 C ATOM 1824 NZ LYS A 110 -7.739 -17.766 -4.555 1.00 0.00 N ATOM 0 H LYS A 110 -5.787 -15.639 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.934 -18.266 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.999 -15.530 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.890 -16.866 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.998 -16.822 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.917 -18.039 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.490 -16.133 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.663 -15.127 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.377 -15.919 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.175 -17.154 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.319 -18.128 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.193 -18.547 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.358 -17.351 -3.830 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.960 -16.472 0.420 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.902 -16.568 1.419 1.00 0.00 C ATOM 1840 C VAL A 111 -2.263 -17.574 2.507 1.00 0.00 C ATOM 1841 O VAL A 111 -1.416 -18.342 2.964 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.620 -15.201 2.071 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.538 -15.329 3.133 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.225 -14.180 1.016 1.00 0.00 C ATOM 0 H VAL A 111 -3.319 -15.528 0.275 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.005 -16.906 0.899 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.532 -14.854 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.352 -14.354 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.865 -16.027 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.380 -15.698 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.029 -13.220 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.326 -14.519 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.036 -14.068 0.296 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.526 -17.563 2.920 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.002 -18.474 3.954 1.00 0.00 C ATOM 1856 C LYS A 112 -4.156 -19.889 3.403 1.00 0.00 C ATOM 1857 O LYS A 112 -4.054 -20.868 4.143 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.338 -17.987 4.516 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.230 -16.690 5.301 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.510 -15.875 5.209 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.685 -16.611 5.835 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.392 -17.037 7.232 1.00 0.00 N ATOM 0 H LYS A 112 -4.239 -16.932 2.554 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.263 -18.493 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.040 -17.847 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.754 -18.760 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.014 -16.913 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.395 -16.102 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.370 -14.918 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.730 -15.658 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.563 -15.965 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.929 -17.486 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.276 -17.317 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.736 -17.844 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.959 -16.247 7.752 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.401 -19.989 2.101 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.567 -21.283 1.451 1.00 0.00 C ATOM 1878 C ASP A 113 -3.246 -22.044 1.412 1.00 0.00 C ATOM 1879 O ASP A 113 -3.206 -23.251 1.656 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.105 -21.100 0.031 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.779 -22.350 -0.498 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.805 -22.763 0.083 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -5.281 -22.915 -1.495 1.00 0.00 O ATOM 0 H ASP A 113 -4.489 -19.189 1.475 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.284 -21.863 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.816 -20.274 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.285 -20.824 -0.632 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.167 -21.333 1.103 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.844 -21.943 1.033 1.00 0.00 C ATOM 1890 C ILE A 114 -0.485 -22.629 2.345 1.00 0.00 C ATOM 1891 O ILE A 114 -0.382 -21.982 3.387 1.00 0.00 O ATOM 1892 CB ILE A 114 0.238 -20.900 0.698 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.361 -20.728 -0.818 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.574 -21.312 1.300 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.847 -20.074 -1.451 1.00 0.00 C ATOM 0 H ILE A 114 -2.182 -20.334 0.897 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.880 -22.686 0.236 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.054 -19.943 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.245 -20.129 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.517 -21.705 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.329 -20.565 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.477 -21.388 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.874 -22.278 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.691 -19.984 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.731 -20.683 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.991 -19.083 -1.021 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.294 -23.943 2.287 1.00 0.00 N ATOM 1908 CA GLN A 115 0.056 -24.717 3.472 1.00 0.00 C ATOM 1909 C GLN A 115 1.563 -24.704 3.707 1.00 0.00 C ATOM 1910 O GLN A 115 2.347 -24.981 2.797 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.437 -26.158 3.329 1.00 0.00 C ATOM 1912 CG GLN A 115 0.098 -26.864 2.093 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.978 -27.632 1.349 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -2.044 -27.096 1.048 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.702 -28.896 1.050 1.00 0.00 N ATOM 0 H GLN A 115 -0.376 -24.494 1.432 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.431 -24.257 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.145 -26.723 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.526 -26.159 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.543 -26.129 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.892 -27.550 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.195 -29.300 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.387 -29.463 0.551 1.00 0.00 H new ATOM 1924 N THR A 116 1.964 -24.377 4.932 1.00 0.00 N ATOM 1925 CA THR A 116 3.376 -24.326 5.285 1.00 0.00 C ATOM 1926 C THR A 116 3.589 -24.676 6.754 1.00 0.00 C ATOM 1927 O THR A 116 2.629 -24.872 7.499 1.00 0.00 O ATOM 1928 CB THR A 116 3.974 -22.933 5.009 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.364 -21.960 5.865 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.771 -22.535 3.556 1.00 0.00 C ATOM 0 H THR A 116 1.330 -24.144 5.696 1.00 0.00 H new ATOM 0 HA THR A 116 3.884 -25.062 4.662 1.00 0.00 H new ATOM 0 HB THR A 116 5.044 -22.975 5.211 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.642 -21.506 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.201 -21.548 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.261 -23.262 2.908 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.705 -22.509 3.331 1.00 0.00 H new ATOM 1938 N GLN A 117 4.851 -24.751 7.163 1.00 0.00 N ATOM 1939 CA GLN A 117 5.188 -25.077 8.543 1.00 0.00 C ATOM 1940 C GLN A 117 4.448 -24.163 9.515 1.00 0.00 C ATOM 1941 O GLN A 117 4.417 -22.945 9.336 1.00 0.00 O ATOM 1942 CB GLN A 117 6.697 -24.960 8.763 1.00 0.00 C ATOM 1943 CG GLN A 117 7.162 -25.519 10.099 1.00 0.00 C ATOM 1944 CD GLN A 117 7.044 -24.512 11.226 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.308 -23.324 11.041 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.646 -24.982 12.402 1.00 0.00 N ATOM 0 H GLN A 117 5.657 -24.590 6.558 1.00 0.00 H new ATOM 0 HA GLN A 117 4.879 -26.105 8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.215 -25.484 7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.985 -23.911 8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.573 -26.403 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.200 -25.842 10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.438 -25.975 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.548 -24.351 13.197 1.00 0.00 H new