USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 180:sc= -0.0742 (180deg=-0.0742) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.195 K(o=-0.27,f=-1) USER MOD Single : A 21 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 23 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0843) USER MOD Single : A 31 HIS : no HD1:sc=-0.00843 X(o=-0.0084,f=-0.0093) USER MOD Single : A 32 GLN : amide:sc= -9.23! C(o=-9.2!,f=-11!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.1) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0.888) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -31:sc= 0.524 USER MOD Single : A 65 MET CE :methyl -160:sc= -1.84 (180deg=-2.42) USER MOD Single : A 70 GLN : amide:sc= -4.92! C(o=-4.9!,f=-16!) USER MOD Single : A 83 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.069) USER MOD Single : A 89 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.8!) USER MOD Single : A 90 TYR OH : rot -171:sc= 1.07 USER MOD Single : A 95 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 97 SER OG : rot 179:sc= 0.496 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000359) 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 75:sc= -0.0516 USER MOD Single : A 109 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 167:sc=-0.00636 (180deg=-0.145) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -110:sc= -0.266 USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -13.825 14.337 4.450 1.00 0.00 N ATOM 296 CA LEU A 18 -14.471 13.073 4.115 1.00 0.00 C ATOM 297 C LEU A 18 -13.787 12.411 2.923 1.00 0.00 C ATOM 298 O LEU A 18 -13.042 11.444 3.080 1.00 0.00 O ATOM 299 CB LEU A 18 -15.952 13.300 3.806 1.00 0.00 C ATOM 300 CG LEU A 18 -16.892 13.322 5.011 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.412 14.328 6.044 1.00 0.00 C ATOM 302 CD2 LEU A 18 -18.314 13.645 4.571 1.00 0.00 C ATOM 0 HA LEU A 18 -14.383 12.410 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.051 14.247 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.285 12.517 3.125 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.889 12.333 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.094 14.330 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.412 14.055 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.385 15.322 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.970 13.657 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.333 14.623 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.658 12.887 3.867 1.00 0.00 H new ATOM 314 N ILE A 19 -14.043 12.942 1.731 1.00 0.00 N ATOM 315 CA ILE A 19 -13.449 12.405 0.513 1.00 0.00 C ATOM 316 C ILE A 19 -11.930 12.336 0.627 1.00 0.00 C ATOM 317 O ILE A 19 -11.308 11.370 0.188 1.00 0.00 O ATOM 318 CB ILE A 19 -13.823 13.253 -0.716 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.315 13.113 -1.025 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.987 12.841 -1.919 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.718 11.713 -1.436 1.00 0.00 C ATOM 0 H ILE A 19 -14.657 13.743 1.584 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.847 11.399 0.384 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.614 14.299 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.889 13.404 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.579 13.807 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.263 13.450 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.930 12.988 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.168 11.790 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.789 11.688 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.171 11.426 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.485 11.016 -0.631 1.00 0.00 H new ATOM 333 N GLU A 20 -11.339 13.369 1.220 1.00 0.00 N ATOM 334 CA GLU A 20 -9.892 13.424 1.391 1.00 0.00 C ATOM 335 C GLU A 20 -9.380 12.175 2.102 1.00 0.00 C ATOM 336 O GLU A 20 -8.477 11.497 1.613 1.00 0.00 O ATOM 337 CB GLU A 20 -9.498 14.673 2.184 1.00 0.00 C ATOM 338 CG GLU A 20 -9.409 15.930 1.335 1.00 0.00 C ATOM 339 CD GLU A 20 -8.431 15.791 0.185 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.224 16.025 0.401 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.874 15.446 -0.931 1.00 0.00 O ATOM 0 H GLU A 20 -11.839 14.178 1.589 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.436 13.470 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.226 14.833 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.535 14.500 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.397 16.167 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.107 16.768 1.964 1.00 0.00 H new ATOM 348 N GLN A 21 -9.963 11.879 3.259 1.00 0.00 N ATOM 349 CA GLN A 21 -9.565 10.711 4.038 1.00 0.00 C ATOM 350 C GLN A 21 -9.803 9.427 3.252 1.00 0.00 C ATOM 351 O GLN A 21 -8.980 8.511 3.277 1.00 0.00 O ATOM 352 CB GLN A 21 -10.335 10.667 5.358 1.00 0.00 C ATOM 353 CG GLN A 21 -9.517 10.133 6.522 1.00 0.00 C ATOM 354 CD GLN A 21 -9.652 8.633 6.691 1.00 0.00 C ATOM 355 OE1 GLN A 21 -9.398 7.866 5.762 1.00 0.00 O ATOM 356 NE2 GLN A 21 -10.052 8.204 7.883 1.00 0.00 N ATOM 0 H GLN A 21 -10.712 12.431 3.678 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.499 10.792 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.683 11.671 5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.221 10.045 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.467 10.384 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.833 10.628 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.252 8.874 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.159 7.204 8.056 1.00 0.00 H new ATOM 365 N ALA A 22 -10.933 9.364 2.555 1.00 0.00 N ATOM 366 CA ALA A 22 -11.278 8.193 1.761 1.00 0.00 C ATOM 367 C ALA A 22 -10.247 7.950 0.664 1.00 0.00 C ATOM 368 O ALA A 22 -9.829 6.817 0.432 1.00 0.00 O ATOM 369 CB ALA A 22 -12.666 8.353 1.159 1.00 0.00 C ATOM 0 H ALA A 22 -11.626 10.112 2.525 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.279 7.325 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.910 7.470 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.398 8.469 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.685 9.235 0.519 1.00 0.00 H new ATOM 375 N ASN A 23 -9.844 9.022 -0.010 1.00 0.00 N ATOM 376 CA ASN A 23 -8.863 8.925 -1.085 1.00 0.00 C ATOM 377 C ASN A 23 -7.509 8.473 -0.546 1.00 0.00 C ATOM 378 O ASN A 23 -6.823 7.659 -1.165 1.00 0.00 O ATOM 379 CB ASN A 23 -8.718 10.273 -1.794 1.00 0.00 C ATOM 380 CG ASN A 23 -9.503 10.332 -3.090 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.994 9.981 -4.154 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.752 10.776 -3.005 1.00 0.00 N ATOM 0 H ASN A 23 -10.181 9.968 0.169 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.216 8.182 -1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.058 11.068 -1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.664 10.460 -2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.330 10.836 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.133 11.056 -2.101 1.00 0.00 H new ATOM 389 N HIS A 24 -7.131 9.005 0.612 1.00 0.00 N ATOM 390 CA HIS A 24 -5.859 8.656 1.235 1.00 0.00 C ATOM 391 C HIS A 24 -5.840 7.185 1.643 1.00 0.00 C ATOM 392 O HIS A 24 -4.832 6.500 1.481 1.00 0.00 O ATOM 393 CB HIS A 24 -5.606 9.540 2.456 1.00 0.00 C ATOM 394 CG HIS A 24 -4.930 10.835 2.129 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.597 10.922 1.784 1.00 0.00 N ATOM 396 CD2 HIS A 24 -5.410 12.100 2.092 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.286 12.185 1.552 1.00 0.00 C ATOM 398 NE2 HIS A 24 -4.369 12.921 1.731 1.00 0.00 N ATOM 0 H HIS A 24 -7.687 9.679 1.138 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.067 8.823 0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.557 9.750 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.994 8.991 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.423 12.407 2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.312 12.553 1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.423 13.933 1.619 1.00 0.00 H new ATOM 406 N ALA A 25 -6.962 6.710 2.174 1.00 0.00 N ATOM 407 CA ALA A 25 -7.074 5.321 2.604 1.00 0.00 C ATOM 408 C ALA A 25 -6.980 4.370 1.416 1.00 0.00 C ATOM 409 O ALA A 25 -6.190 3.425 1.427 1.00 0.00 O ATOM 410 CB ALA A 25 -8.380 5.105 3.355 1.00 0.00 C ATOM 0 H ALA A 25 -7.805 7.266 2.317 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.242 5.105 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.451 4.064 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.407 5.752 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.219 5.344 2.702 1.00 0.00 H new ATOM 416 N ILE A 26 -7.792 4.623 0.395 1.00 0.00 N ATOM 417 CA ILE A 26 -7.799 3.788 -0.800 1.00 0.00 C ATOM 418 C ILE A 26 -6.457 3.849 -1.521 1.00 0.00 C ATOM 419 O ILE A 26 -6.027 2.872 -2.134 1.00 0.00 O ATOM 420 CB ILE A 26 -8.913 4.212 -1.775 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.656 5.629 -2.292 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.272 4.127 -1.097 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.707 6.117 -3.264 1.00 0.00 C ATOM 0 H ILE A 26 -8.453 5.399 0.371 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.985 2.766 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.911 3.530 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.610 6.313 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.681 5.658 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.049 4.430 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.454 3.102 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.288 4.788 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.461 7.128 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.738 5.455 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.681 6.120 -2.775 1.00 0.00 H new ATOM 435 N GLU A 27 -5.799 5.000 -1.440 1.00 0.00 N ATOM 436 CA GLU A 27 -4.504 5.187 -2.085 1.00 0.00 C ATOM 437 C GLU A 27 -3.438 4.319 -1.423 1.00 0.00 C ATOM 438 O GLU A 27 -2.752 3.541 -2.088 1.00 0.00 O ATOM 439 CB GLU A 27 -4.088 6.658 -2.027 1.00 0.00 C ATOM 440 CG GLU A 27 -2.756 6.941 -2.701 1.00 0.00 C ATOM 441 CD GLU A 27 -1.573 6.652 -1.797 1.00 0.00 C ATOM 442 OE1 GLU A 27 -1.420 7.354 -0.777 1.00 0.00 O ATOM 443 OE2 GLU A 27 -0.799 5.723 -2.111 1.00 0.00 O ATOM 0 H GLU A 27 -6.140 5.817 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.599 4.885 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.861 7.264 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.031 6.970 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.674 6.337 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.725 7.985 -3.012 1.00 0.00 H new ATOM 450 N LYS A 28 -3.300 4.460 -0.108 1.00 0.00 N ATOM 451 CA LYS A 28 -2.318 3.689 0.645 1.00 0.00 C ATOM 452 C LYS A 28 -2.554 2.192 0.476 1.00 0.00 C ATOM 453 O LYS A 28 -1.615 1.424 0.272 1.00 0.00 O ATOM 454 CB LYS A 28 -2.377 4.062 2.129 1.00 0.00 C ATOM 455 CG LYS A 28 -1.310 3.383 2.969 1.00 0.00 C ATOM 456 CD LYS A 28 -1.637 3.455 4.451 1.00 0.00 C ATOM 457 CE LYS A 28 -1.420 4.855 5.002 1.00 0.00 C ATOM 458 NZ LYS A 28 0.027 5.186 5.122 1.00 0.00 N ATOM 0 H LYS A 28 -3.856 5.101 0.458 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.329 3.928 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.273 5.142 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.359 3.799 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.217 2.340 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.345 3.856 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.673 3.156 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.013 2.747 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.906 5.581 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.894 4.938 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.138 6.064 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.521 4.411 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.433 5.315 4.173 1.00 0.00 H new ATOM 472 N GLY A 29 -3.817 1.784 0.560 1.00 0.00 N ATOM 473 CA GLY A 29 -4.153 0.379 0.412 1.00 0.00 C ATOM 474 C GLY A 29 -3.838 -0.150 -0.973 1.00 0.00 C ATOM 475 O GLY A 29 -3.309 -1.252 -1.117 1.00 0.00 O ATOM 0 H GLY A 29 -4.612 2.400 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.604 -0.202 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.214 0.239 0.618 1.00 0.00 H new ATOM 479 N GLU A 30 -4.165 0.636 -1.994 1.00 0.00 N ATOM 480 CA GLU A 30 -3.914 0.238 -3.374 1.00 0.00 C ATOM 481 C GLU A 30 -2.420 0.065 -3.628 1.00 0.00 C ATOM 482 O GLU A 30 -2.000 -0.856 -4.328 1.00 0.00 O ATOM 483 CB GLU A 30 -4.491 1.276 -4.339 1.00 0.00 C ATOM 484 CG GLU A 30 -4.701 0.746 -5.748 1.00 0.00 C ATOM 485 CD GLU A 30 -3.470 0.901 -6.620 1.00 0.00 C ATOM 486 OE1 GLU A 30 -2.660 1.811 -6.345 1.00 0.00 O ATOM 487 OE2 GLU A 30 -3.316 0.114 -7.577 1.00 0.00 O ATOM 0 H GLU A 30 -4.604 1.551 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.406 -0.720 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.444 1.633 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.821 2.135 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.976 -0.308 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.537 1.272 -6.209 1.00 0.00 H new ATOM 494 N HIS A 31 -1.620 0.960 -3.055 1.00 0.00 N ATOM 495 CA HIS A 31 -0.173 0.907 -3.219 1.00 0.00 C ATOM 496 C HIS A 31 0.408 -0.323 -2.528 1.00 0.00 C ATOM 497 O HIS A 31 1.190 -1.066 -3.119 1.00 0.00 O ATOM 498 CB HIS A 31 0.472 2.175 -2.656 1.00 0.00 C ATOM 499 CG HIS A 31 1.799 2.496 -3.271 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.960 2.613 -2.537 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.145 2.724 -4.560 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.963 2.900 -3.348 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.495 2.973 -4.580 1.00 0.00 N ATOM 0 H HIS A 31 -1.951 1.730 -2.473 1.00 0.00 H new ATOM 0 HA HIS A 31 0.045 0.840 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.204 3.016 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.598 2.061 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.483 2.712 -5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.991 3.049 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.047 3.181 -5.412 1.00 0.00 H new ATOM 511 N GLN A 32 0.019 -0.530 -1.274 1.00 0.00 N ATOM 512 CA GLN A 32 0.503 -1.669 -0.503 1.00 0.00 C ATOM 513 C GLN A 32 -0.040 -2.978 -1.067 1.00 0.00 C ATOM 514 O GLN A 32 0.545 -4.044 -0.865 1.00 0.00 O ATOM 515 CB GLN A 32 0.098 -1.528 0.965 1.00 0.00 C ATOM 516 CG GLN A 32 -1.255 -2.142 1.286 1.00 0.00 C ATOM 517 CD GLN A 32 -1.145 -3.574 1.773 1.00 0.00 C ATOM 518 OE1 GLN A 32 -0.531 -3.845 2.806 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.739 -4.500 1.030 1.00 0.00 N ATOM 0 H GLN A 32 -0.629 0.076 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 32 1.591 -1.686 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.858 -1.998 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.079 -0.470 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.751 -1.540 2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.884 -2.112 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.237 -4.231 0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.697 -5.481 1.308 1.00 0.00 H new ATOM 528 N LEU A 33 -1.160 -2.891 -1.776 1.00 0.00 N ATOM 529 CA LEU A 33 -1.782 -4.070 -2.370 1.00 0.00 C ATOM 530 C LEU A 33 -1.021 -4.520 -3.612 1.00 0.00 C ATOM 531 O LEU A 33 -0.640 -5.685 -3.732 1.00 0.00 O ATOM 532 CB LEU A 33 -3.240 -3.774 -2.730 1.00 0.00 C ATOM 533 CG LEU A 33 -4.009 -4.912 -3.401 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.786 -4.892 -4.906 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.594 -6.255 -2.816 1.00 0.00 C ATOM 0 H LEU A 33 -1.656 -2.018 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.751 -4.876 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.768 -3.493 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.262 -2.908 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.072 -4.768 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.341 -5.709 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.134 -3.942 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.723 -5.010 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.152 -7.053 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.527 -6.407 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.806 -6.267 -1.747 1.00 0.00 H new ATOM 547 N LEU A 34 -0.801 -3.588 -4.534 1.00 0.00 N ATOM 548 CA LEU A 34 -0.082 -3.889 -5.768 1.00 0.00 C ATOM 549 C LEU A 34 1.362 -4.284 -5.474 1.00 0.00 C ATOM 550 O LEU A 34 1.932 -5.139 -6.152 1.00 0.00 O ATOM 551 CB LEU A 34 -0.112 -2.680 -6.705 1.00 0.00 C ATOM 552 CG LEU A 34 0.342 -1.351 -6.101 1.00 0.00 C ATOM 553 CD1 LEU A 34 1.847 -1.187 -6.242 1.00 0.00 C ATOM 554 CD2 LEU A 34 -0.387 -0.188 -6.760 1.00 0.00 C ATOM 0 H LEU A 34 -1.110 -2.619 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.577 -4.730 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.518 -2.898 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.130 -2.559 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 34 0.095 -1.354 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.152 -0.235 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.352 -2.002 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.118 -1.206 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.051 0.750 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.172 -0.182 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.461 -0.298 -6.606 1.00 0.00 H new ATOM 566 N TYR A 35 1.947 -3.656 -4.460 1.00 0.00 N ATOM 567 CA TYR A 35 3.324 -3.942 -4.077 1.00 0.00 C ATOM 568 C TYR A 35 3.428 -5.299 -3.387 1.00 0.00 C ATOM 569 O TYR A 35 4.283 -6.118 -3.726 1.00 0.00 O ATOM 570 CB TYR A 35 3.856 -2.846 -3.152 1.00 0.00 C ATOM 571 CG TYR A 35 5.255 -3.111 -2.641 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.467 -3.898 -1.516 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.364 -2.574 -3.284 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.743 -4.141 -1.045 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.643 -2.814 -2.822 1.00 0.00 C ATOM 576 CZ TYR A 35 7.827 -3.598 -1.702 1.00 0.00 C ATOM 577 OH TYR A 35 9.100 -3.839 -1.237 1.00 0.00 O ATOM 0 H TYR A 35 1.489 -2.946 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 35 3.928 -3.969 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.847 -1.896 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.182 -2.740 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.620 -4.327 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.223 -1.958 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.891 -4.753 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.494 -2.390 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 35 9.750 -3.385 -1.813 1.00 0.00 H new ATOM 587 N LEU A 36 2.549 -5.531 -2.419 1.00 0.00 N ATOM 588 CA LEU A 36 2.539 -6.789 -1.680 1.00 0.00 C ATOM 589 C LEU A 36 2.165 -7.954 -2.592 1.00 0.00 C ATOM 590 O LEU A 36 2.589 -9.088 -2.371 1.00 0.00 O ATOM 591 CB LEU A 36 1.558 -6.709 -0.510 1.00 0.00 C ATOM 592 CG LEU A 36 1.479 -7.946 0.387 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.552 -8.987 -0.221 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.865 -8.530 0.613 1.00 0.00 C ATOM 0 H LEU A 36 1.834 -4.865 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 36 3.543 -6.962 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.830 -5.854 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.563 -6.510 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 36 1.072 -7.646 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.508 -9.860 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.447 -8.565 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.930 -9.283 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.790 -9.409 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.300 -8.815 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.500 -7.785 1.093 1.00 0.00 H new ATOM 606 N GLN A 37 1.372 -7.663 -3.619 1.00 0.00 N ATOM 607 CA GLN A 37 0.943 -8.687 -4.564 1.00 0.00 C ATOM 608 C GLN A 37 2.137 -9.477 -5.090 1.00 0.00 C ATOM 609 O GLN A 37 2.042 -10.683 -5.323 1.00 0.00 O ATOM 610 CB GLN A 37 0.187 -8.047 -5.731 1.00 0.00 C ATOM 611 CG GLN A 37 -1.316 -7.973 -5.513 1.00 0.00 C ATOM 612 CD GLN A 37 -2.033 -9.233 -5.955 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.404 -10.254 -6.232 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.358 -9.168 -6.023 1.00 0.00 N ATOM 0 H GLN A 37 1.015 -6.728 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 37 0.278 -9.374 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.572 -7.041 -5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.387 -8.616 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.518 -7.797 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.717 -7.120 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.839 -8.301 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.894 -9.985 -6.314 1.00 0.00 H new ATOM 623 N HIS A 38 3.260 -8.791 -5.275 1.00 0.00 N ATOM 624 CA HIS A 38 4.474 -9.430 -5.772 1.00 0.00 C ATOM 625 C HIS A 38 4.949 -10.516 -4.812 1.00 0.00 C ATOM 626 O HIS A 38 5.131 -11.667 -5.205 1.00 0.00 O ATOM 627 CB HIS A 38 5.577 -8.390 -5.971 1.00 0.00 C ATOM 628 CG HIS A 38 5.584 -7.780 -7.338 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.183 -8.378 -8.428 1.00 0.00 N ATOM 630 CD2 HIS A 38 5.061 -6.616 -7.791 1.00 0.00 C ATOM 631 CE1 HIS A 38 6.028 -7.608 -9.491 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.349 -6.533 -9.131 1.00 0.00 N ATOM 0 H HIS A 38 3.355 -7.793 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 38 4.245 -9.894 -6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.458 -7.600 -5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.544 -8.858 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.518 -5.888 -7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.394 -7.821 -10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.082 -5.766 -9.748 1.00 0.00 H new ATOM 640 N GLN A 39 5.146 -10.140 -3.552 1.00 0.00 N ATOM 641 CA GLN A 39 5.602 -11.082 -2.536 1.00 0.00 C ATOM 642 C GLN A 39 4.662 -12.279 -2.445 1.00 0.00 C ATOM 643 O GLN A 39 5.105 -13.424 -2.329 1.00 0.00 O ATOM 644 CB GLN A 39 5.701 -10.391 -1.176 1.00 0.00 C ATOM 645 CG GLN A 39 6.847 -9.397 -1.080 1.00 0.00 C ATOM 646 CD GLN A 39 8.169 -9.985 -1.537 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.443 -10.069 -2.735 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.995 -10.396 -0.583 1.00 0.00 N ATOM 0 H GLN A 39 4.997 -9.190 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 39 6.590 -11.440 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.764 -9.873 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.822 -11.148 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.615 -8.521 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.942 -9.056 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.727 -10.307 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.898 -10.801 -0.830 1.00 0.00 H new ATOM 657 N LEU A 40 3.362 -12.010 -2.497 1.00 0.00 N ATOM 658 CA LEU A 40 2.358 -13.066 -2.419 1.00 0.00 C ATOM 659 C LEU A 40 2.511 -14.049 -3.575 1.00 0.00 C ATOM 660 O LEU A 40 2.619 -15.257 -3.365 1.00 0.00 O ATOM 661 CB LEU A 40 0.953 -12.461 -2.431 1.00 0.00 C ATOM 662 CG LEU A 40 -0.113 -13.227 -1.646 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.008 -12.263 -0.883 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.939 -14.099 -2.580 1.00 0.00 C ATOM 0 H LEU A 40 2.978 -11.070 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 40 2.506 -13.607 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.012 -11.448 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.624 -12.378 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 40 0.388 -13.874 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.761 -12.825 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.405 -11.681 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.501 -11.591 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.692 -14.637 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.430 -13.472 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.287 -14.814 -3.082 1.00 0.00 H new ATOM 676 N ASP A 41 2.522 -13.523 -4.795 1.00 0.00 N ATOM 677 CA ASP A 41 2.665 -14.353 -5.985 1.00 0.00 C ATOM 678 C ASP A 41 3.898 -15.246 -5.879 1.00 0.00 C ATOM 679 O ASP A 41 3.861 -16.417 -6.253 1.00 0.00 O ATOM 680 CB ASP A 41 2.759 -13.479 -7.235 1.00 0.00 C ATOM 681 CG ASP A 41 2.900 -14.296 -8.504 1.00 0.00 C ATOM 682 OD1 ASP A 41 2.230 -15.344 -8.612 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.680 -13.888 -9.391 1.00 0.00 O ATOM 0 H ASP A 41 2.434 -12.525 -4.986 1.00 0.00 H new ATOM 0 HA ASP A 41 1.783 -14.989 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.869 -12.854 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.613 -12.808 -7.142 1.00 0.00 H new ATOM 688 N GLU A 42 4.988 -14.682 -5.368 1.00 0.00 N ATOM 689 CA GLU A 42 6.232 -15.427 -5.216 1.00 0.00 C ATOM 690 C GLU A 42 6.115 -16.459 -4.098 1.00 0.00 C ATOM 691 O GLU A 42 6.732 -17.525 -4.154 1.00 0.00 O ATOM 692 CB GLU A 42 7.392 -14.472 -4.923 1.00 0.00 C ATOM 693 CG GLU A 42 8.664 -15.176 -4.483 1.00 0.00 C ATOM 694 CD GLU A 42 9.918 -14.470 -4.962 1.00 0.00 C ATOM 695 OE1 GLU A 42 10.192 -14.510 -6.179 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.623 -13.878 -4.118 1.00 0.00 O ATOM 0 H GLU A 42 5.035 -13.713 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 42 6.429 -15.950 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.603 -13.885 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.087 -13.771 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.681 -15.241 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.659 -16.198 -4.863 1.00 0.00 H new ATOM 703 N LEU A 43 5.321 -16.137 -3.084 1.00 0.00 N ATOM 704 CA LEU A 43 5.122 -17.035 -1.951 1.00 0.00 C ATOM 705 C LEU A 43 4.297 -18.251 -2.359 1.00 0.00 C ATOM 706 O LEU A 43 4.467 -19.340 -1.814 1.00 0.00 O ATOM 707 CB LEU A 43 4.431 -16.297 -0.805 1.00 0.00 C ATOM 708 CG LEU A 43 4.189 -17.110 0.469 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.924 -17.944 0.337 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.387 -17.999 0.770 1.00 0.00 C ATOM 0 H LEU A 43 4.804 -15.260 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 43 6.100 -17.379 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.032 -15.425 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.470 -15.928 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 43 4.058 -16.417 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.768 -18.515 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.071 -17.287 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.026 -18.628 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.197 -18.570 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.549 -18.685 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.274 -17.380 0.908 1.00 0.00 H new ATOM 722 N ASN A 44 3.403 -18.057 -3.325 1.00 0.00 N ATOM 723 CA ASN A 44 2.552 -19.138 -3.808 1.00 0.00 C ATOM 724 C ASN A 44 3.386 -20.354 -4.197 1.00 0.00 C ATOM 725 O ASN A 44 3.045 -21.488 -3.858 1.00 0.00 O ATOM 726 CB ASN A 44 1.725 -18.667 -5.006 1.00 0.00 C ATOM 727 CG ASN A 44 0.453 -17.956 -4.586 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.621 -18.206 -5.134 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.569 -17.064 -3.610 1.00 0.00 N ATOM 0 H ASN A 44 3.250 -17.161 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 44 1.878 -19.426 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.327 -17.997 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.470 -19.525 -5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.252 -16.554 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.479 -16.889 -3.185 1.00 0.00 H new ATOM 736 N GLU A 45 4.482 -20.110 -4.911 1.00 0.00 N ATOM 737 CA GLU A 45 5.364 -21.186 -5.347 1.00 0.00 C ATOM 738 C GLU A 45 6.452 -21.451 -4.310 1.00 0.00 C ATOM 739 O GLU A 45 6.750 -22.600 -3.987 1.00 0.00 O ATOM 740 CB GLU A 45 6.001 -20.839 -6.693 1.00 0.00 C ATOM 741 CG GLU A 45 5.098 -21.116 -7.884 1.00 0.00 C ATOM 742 CD GLU A 45 5.604 -20.474 -9.161 1.00 0.00 C ATOM 743 OE1 GLU A 45 6.683 -20.880 -9.642 1.00 0.00 O ATOM 744 OE2 GLU A 45 4.921 -19.567 -9.680 1.00 0.00 O ATOM 0 H GLU A 45 4.779 -19.178 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 45 4.765 -22.090 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.276 -19.784 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.923 -21.409 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.016 -22.193 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.095 -20.747 -7.669 1.00 0.00 H new ATOM 751 N ASN A 46 7.042 -20.378 -3.792 1.00 0.00 N ATOM 752 CA ASN A 46 8.098 -20.494 -2.793 1.00 0.00 C ATOM 753 C ASN A 46 7.635 -21.335 -1.608 1.00 0.00 C ATOM 754 O ASN A 46 8.416 -22.087 -1.024 1.00 0.00 O ATOM 755 CB ASN A 46 8.527 -19.106 -2.311 1.00 0.00 C ATOM 756 CG ASN A 46 9.545 -18.464 -3.234 1.00 0.00 C ATOM 757 OD1 ASN A 46 9.508 -18.659 -4.449 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.459 -17.691 -2.659 1.00 0.00 N ATOM 0 H ASN A 46 6.807 -19.419 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 46 8.950 -20.990 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.650 -18.463 -2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.948 -19.186 -1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.169 -17.230 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.451 -17.558 -1.648 1.00 0.00 H new ATOM 765 N LYS A 47 6.361 -21.204 -1.257 1.00 0.00 N ATOM 766 CA LYS A 47 5.792 -21.952 -0.144 1.00 0.00 C ATOM 767 C LYS A 47 6.620 -21.757 1.123 1.00 0.00 C ATOM 768 O LYS A 47 6.676 -22.638 1.981 1.00 0.00 O ATOM 769 CB LYS A 47 5.713 -23.441 -0.489 1.00 0.00 C ATOM 770 CG LYS A 47 4.800 -23.745 -1.663 1.00 0.00 C ATOM 771 CD LYS A 47 3.344 -23.473 -1.324 1.00 0.00 C ATOM 772 CE LYS A 47 2.405 -24.284 -2.202 1.00 0.00 C ATOM 773 NZ LYS A 47 2.821 -24.257 -3.632 1.00 0.00 N ATOM 0 H LYS A 47 5.702 -20.585 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 47 4.786 -21.574 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.715 -23.807 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.362 -23.990 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.094 -23.139 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.917 -24.788 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.162 -23.714 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.133 -22.411 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.379 -25.315 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.392 -23.891 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.039 -24.596 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.067 -23.284 -3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.649 -24.873 -3.764 1.00 0.00 H new ATOM 787 N SER A 48 7.259 -20.597 1.233 1.00 0.00 N ATOM 788 CA SER A 48 8.085 -20.286 2.394 1.00 0.00 C ATOM 789 C SER A 48 7.218 -19.954 3.605 1.00 0.00 C ATOM 790 O SER A 48 6.618 -18.881 3.678 1.00 0.00 O ATOM 791 CB SER A 48 9.019 -19.115 2.083 1.00 0.00 C ATOM 792 OG SER A 48 10.315 -19.344 2.606 1.00 0.00 O ATOM 0 H SER A 48 7.221 -19.857 0.532 1.00 0.00 H new ATOM 0 HA SER A 48 8.684 -21.166 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.079 -18.970 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.610 -18.197 2.505 1.00 0.00 H new ATOM 0 HG SER A 48 10.893 -18.582 2.392 1.00 0.00 H new ATOM 798 N LYS A 49 7.156 -20.882 4.553 1.00 0.00 N ATOM 799 CA LYS A 49 6.365 -20.688 5.763 1.00 0.00 C ATOM 800 C LYS A 49 6.623 -19.313 6.369 1.00 0.00 C ATOM 801 O LYS A 49 5.725 -18.701 6.946 1.00 0.00 O ATOM 802 CB LYS A 49 6.689 -21.778 6.788 1.00 0.00 C ATOM 803 CG LYS A 49 8.174 -22.063 6.924 1.00 0.00 C ATOM 804 CD LYS A 49 8.790 -21.276 8.070 1.00 0.00 C ATOM 805 CE LYS A 49 10.286 -21.086 7.874 1.00 0.00 C ATOM 806 NZ LYS A 49 11.029 -22.371 7.997 1.00 0.00 N ATOM 0 H LYS A 49 7.644 -21.777 4.507 1.00 0.00 H new ATOM 0 HA LYS A 49 5.311 -20.753 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.294 -21.480 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.176 -22.697 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.327 -23.129 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.681 -21.809 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.305 -20.303 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.608 -21.797 9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.471 -20.652 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.662 -20.377 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.045 -22.199 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.873 -22.773 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.688 -23.039 7.277 1.00 0.00 H new ATOM 820 N GLU A 50 7.856 -18.833 6.231 1.00 0.00 N ATOM 821 CA GLU A 50 8.230 -17.528 6.766 1.00 0.00 C ATOM 822 C GLU A 50 7.594 -16.405 5.952 1.00 0.00 C ATOM 823 O GLU A 50 6.925 -15.528 6.501 1.00 0.00 O ATOM 824 CB GLU A 50 9.752 -17.372 6.769 1.00 0.00 C ATOM 825 CG GLU A 50 10.408 -17.826 8.062 1.00 0.00 C ATOM 826 CD GLU A 50 11.819 -18.338 7.853 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.341 -18.193 6.727 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.403 -18.882 8.813 1.00 0.00 O ATOM 0 H GLU A 50 8.611 -19.327 5.755 1.00 0.00 H new ATOM 0 HA GLU A 50 7.863 -17.464 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.169 -17.944 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.002 -16.326 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.428 -16.994 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.804 -18.612 8.515 1.00 0.00 H new ATOM 835 N LEU A 51 7.809 -16.437 4.642 1.00 0.00 N ATOM 836 CA LEU A 51 7.258 -15.421 3.752 1.00 0.00 C ATOM 837 C LEU A 51 5.737 -15.378 3.850 1.00 0.00 C ATOM 838 O LEU A 51 5.130 -14.310 3.762 1.00 0.00 O ATOM 839 CB LEU A 51 7.679 -15.697 2.307 1.00 0.00 C ATOM 840 CG LEU A 51 7.111 -14.750 1.249 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.408 -13.304 1.614 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.677 -15.083 -0.123 1.00 0.00 C ATOM 0 H LEU A 51 8.361 -17.155 4.172 1.00 0.00 H new ATOM 0 HA LEU A 51 7.651 -14.452 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.767 -15.659 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.383 -16.714 2.052 1.00 0.00 H new ATOM 0 HG LEU A 51 6.029 -14.880 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.997 -12.644 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.954 -13.071 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.486 -13.159 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.262 -14.399 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.762 -14.982 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.413 -16.107 -0.387 1.00 0.00 H new ATOM 854 N GLN A 52 5.127 -16.544 4.035 1.00 0.00 N ATOM 855 CA GLN A 52 3.677 -16.638 4.148 1.00 0.00 C ATOM 856 C GLN A 52 3.191 -16.020 5.455 1.00 0.00 C ATOM 857 O GLN A 52 2.365 -15.108 5.451 1.00 0.00 O ATOM 858 CB GLN A 52 3.231 -18.099 4.064 1.00 0.00 C ATOM 859 CG GLN A 52 1.722 -18.278 4.109 1.00 0.00 C ATOM 860 CD GLN A 52 1.282 -19.248 5.188 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.783 -19.213 6.312 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.341 -20.122 4.851 1.00 0.00 N ATOM 0 H GLN A 52 5.615 -17.437 4.110 1.00 0.00 H new ATOM 0 HA GLN A 52 3.237 -16.083 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.613 -18.534 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.679 -18.655 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.250 -17.311 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.373 -18.635 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.047 -20.116 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.006 -20.800 5.536 1.00 0.00 H new ATOM 871 N GLU A 53 3.708 -16.525 6.571 1.00 0.00 N ATOM 872 CA GLU A 53 3.324 -16.023 7.885 1.00 0.00 C ATOM 873 C GLU A 53 3.494 -14.508 7.959 1.00 0.00 C ATOM 874 O GLU A 53 2.712 -13.816 8.610 1.00 0.00 O ATOM 875 CB GLU A 53 4.162 -16.694 8.976 1.00 0.00 C ATOM 876 CG GLU A 53 3.520 -17.946 9.552 1.00 0.00 C ATOM 877 CD GLU A 53 3.915 -18.193 10.995 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.074 -17.896 11.352 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.065 -18.683 11.767 1.00 0.00 O ATOM 0 H GLU A 53 4.393 -17.280 6.591 1.00 0.00 H new ATOM 0 HA GLU A 53 2.273 -16.262 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.138 -16.952 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.334 -15.980 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.436 -17.857 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.806 -18.807 8.948 1.00 0.00 H new ATOM 886 N LYS A 54 4.521 -14.000 7.287 1.00 0.00 N ATOM 887 CA LYS A 54 4.794 -12.567 7.274 1.00 0.00 C ATOM 888 C LYS A 54 3.731 -11.818 6.478 1.00 0.00 C ATOM 889 O LYS A 54 3.120 -10.873 6.976 1.00 0.00 O ATOM 890 CB LYS A 54 6.178 -12.297 6.680 1.00 0.00 C ATOM 891 CG LYS A 54 7.322 -12.688 7.599 1.00 0.00 C ATOM 892 CD LYS A 54 8.268 -11.523 7.838 1.00 0.00 C ATOM 893 CE LYS A 54 7.610 -10.430 8.666 1.00 0.00 C ATOM 894 NZ LYS A 54 7.794 -10.654 10.126 1.00 0.00 N ATOM 0 H LYS A 54 5.179 -14.559 6.744 1.00 0.00 H new ATOM 0 HA LYS A 54 4.771 -12.208 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.274 -12.843 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.261 -11.237 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.922 -13.035 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.872 -13.521 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.163 -11.879 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.589 -11.112 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.031 -9.463 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.545 -10.391 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.331 -9.888 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.370 -11.565 10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.809 -10.666 10.350 1.00 0.00 H new ATOM 908 N ILE A 55 3.516 -12.246 5.238 1.00 0.00 N ATOM 909 CA ILE A 55 2.525 -11.617 4.374 1.00 0.00 C ATOM 910 C ILE A 55 1.144 -11.632 5.020 1.00 0.00 C ATOM 911 O ILE A 55 0.379 -10.674 4.896 1.00 0.00 O ATOM 912 CB ILE A 55 2.447 -12.316 3.004 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.777 -12.181 2.261 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.310 -11.734 2.176 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.006 -13.260 1.227 1.00 0.00 C ATOM 0 H ILE A 55 4.015 -13.026 4.810 1.00 0.00 H new ATOM 0 HA ILE A 55 2.844 -10.585 4.228 1.00 0.00 H new ATOM 0 HB ILE A 55 2.248 -13.376 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.813 -11.208 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.592 -12.204 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.268 -12.238 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.366 -11.878 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.481 -10.669 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.968 -13.100 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.003 -14.236 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.212 -13.223 0.481 1.00 0.00 H new ATOM 927 N ILE A 56 0.831 -12.724 5.709 1.00 0.00 N ATOM 928 CA ILE A 56 -0.457 -12.862 6.378 1.00 0.00 C ATOM 929 C ILE A 56 -0.631 -11.803 7.461 1.00 0.00 C ATOM 930 O ILE A 56 -1.681 -11.169 7.561 1.00 0.00 O ATOM 931 CB ILE A 56 -0.617 -14.257 7.009 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.564 -15.339 5.928 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.921 -14.340 7.786 1.00 0.00 C ATOM 934 CD1 ILE A 56 -0.071 -16.676 6.435 1.00 0.00 C ATOM 0 H ILE A 56 1.451 -13.526 5.819 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.224 -12.727 5.616 1.00 0.00 H new ATOM 0 HB ILE A 56 0.207 -14.423 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.560 -15.465 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.087 -15.003 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.020 -15.332 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.921 -13.590 8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.758 -14.157 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.060 -17.394 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.937 -16.565 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.735 -17.034 7.222 1.00 0.00 H new ATOM 946 N ARG A 57 0.408 -11.615 8.268 1.00 0.00 N ATOM 947 CA ARG A 57 0.370 -10.631 9.344 1.00 0.00 C ATOM 948 C ARG A 57 0.211 -9.220 8.787 1.00 0.00 C ATOM 949 O ARG A 57 -0.682 -8.479 9.195 1.00 0.00 O ATOM 950 CB ARG A 57 1.644 -10.717 10.187 1.00 0.00 C ATOM 951 CG ARG A 57 1.469 -11.504 11.476 1.00 0.00 C ATOM 952 CD ARG A 57 0.987 -12.920 11.204 1.00 0.00 C ATOM 953 NE ARG A 57 -0.391 -13.122 11.640 1.00 0.00 N ATOM 954 CZ ARG A 57 -0.765 -13.132 12.915 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.134 -12.952 13.874 1.00 0.00 N ATOM 956 NH2 ARG A 57 -2.040 -13.322 13.233 1.00 0.00 N ATOM 0 H ARG A 57 1.286 -12.130 8.198 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.491 -10.853 9.974 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.432 -11.180 9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.978 -9.708 10.430 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.416 -11.538 12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.754 -10.993 12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.064 -13.131 10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.637 -13.629 11.717 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.106 -13.263 10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.114 -12.806 13.633 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.155 -12.960 14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.734 -13.461 12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.326 -13.329 14.212 1.00 0.00 H new ATOM 970 N GLU A 58 1.084 -8.857 7.851 1.00 0.00 N ATOM 971 CA GLU A 58 1.040 -7.534 7.240 1.00 0.00 C ATOM 972 C GLU A 58 -0.285 -7.314 6.515 1.00 0.00 C ATOM 973 O GLU A 58 -0.939 -6.284 6.692 1.00 0.00 O ATOM 974 CB GLU A 58 2.203 -7.362 6.261 1.00 0.00 C ATOM 975 CG GLU A 58 3.454 -6.780 6.899 1.00 0.00 C ATOM 976 CD GLU A 58 4.663 -6.857 5.986 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.875 -5.908 5.202 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.398 -7.863 6.058 1.00 0.00 O ATOM 0 H GLU A 58 1.828 -9.460 7.500 1.00 0.00 H new ATOM 0 HA GLU A 58 1.129 -6.792 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.445 -8.331 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.886 -6.714 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.271 -5.739 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.668 -7.314 7.825 1.00 0.00 H new ATOM 985 N LEU A 59 -0.675 -8.286 5.699 1.00 0.00 N ATOM 986 CA LEU A 59 -1.922 -8.199 4.946 1.00 0.00 C ATOM 987 C LEU A 59 -3.123 -8.152 5.886 1.00 0.00 C ATOM 988 O LEU A 59 -4.149 -7.550 5.568 1.00 0.00 O ATOM 989 CB LEU A 59 -2.050 -9.390 3.995 1.00 0.00 C ATOM 990 CG LEU A 59 -3.093 -9.254 2.885 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.826 -8.009 2.052 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.103 -10.495 2.007 1.00 0.00 C ATOM 0 H LEU A 59 -0.146 -9.144 5.541 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.903 -7.278 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.078 -9.567 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.289 -10.276 4.584 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.076 -9.153 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.578 -7.928 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.872 -7.127 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.836 -8.079 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.851 -10.380 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.120 -10.628 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.344 -11.368 2.614 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.987 -8.789 7.044 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.059 -8.818 8.031 1.00 0.00 C ATOM 1006 C ASP A 60 -4.241 -7.447 8.676 1.00 0.00 C ATOM 1007 O ASP A 60 -5.340 -6.892 8.680 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.764 -9.864 9.106 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.814 -9.884 10.200 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.924 -10.396 9.946 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.526 -9.386 11.309 1.00 0.00 O ATOM 0 H ASP A 60 -2.144 -9.292 7.322 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.983 -9.085 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.707 -10.849 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.788 -9.662 9.547 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.156 -6.904 9.218 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.195 -5.598 9.865 1.00 0.00 C ATOM 1018 C VAL A 61 -3.617 -4.511 8.884 1.00 0.00 C ATOM 1019 O VAL A 61 -4.329 -3.574 9.245 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.827 -5.228 10.467 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.470 -6.175 11.603 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.751 -5.243 9.392 1.00 0.00 C ATOM 0 H VAL A 61 -2.238 -7.349 9.222 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.930 -5.665 10.667 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.889 -4.218 10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.500 -5.898 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.229 -6.110 12.383 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.425 -7.196 11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.209 -4.979 9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.688 -6.239 8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.003 -4.521 8.615 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.174 -4.643 7.637 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.506 -3.672 6.600 1.00 0.00 C ATOM 1034 C VAL A 62 -4.984 -3.744 6.235 1.00 0.00 C ATOM 1035 O VAL A 62 -5.701 -2.745 6.305 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.663 -3.896 5.331 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.158 -3.010 4.198 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.191 -3.637 5.617 1.00 0.00 C ATOM 0 H VAL A 62 -2.584 -5.413 7.320 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.282 -2.685 7.006 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.772 -4.935 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.550 -3.182 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.199 -3.248 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.080 -1.964 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.610 -3.800 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.061 -2.608 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.846 -4.318 6.396 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.434 -4.931 5.845 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.828 -5.134 5.467 1.00 0.00 C ATOM 1050 C CYS A 63 -7.758 -4.831 6.637 1.00 0.00 C ATOM 1051 O CYS A 63 -8.917 -4.463 6.444 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.045 -6.570 4.986 1.00 0.00 C ATOM 1053 SG CYS A 63 -7.134 -7.789 6.318 1.00 0.00 S ATOM 0 H CYS A 63 -4.854 -5.768 5.782 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.061 -4.447 4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.968 -6.612 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.233 -6.843 4.312 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.395 -7.398 7.314 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.244 -4.991 7.852 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.027 -4.734 9.054 1.00 0.00 C ATOM 1061 C ALA A 64 -8.240 -3.238 9.262 1.00 0.00 C ATOM 1062 O ALA A 64 -9.374 -2.766 9.328 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.347 -5.346 10.269 1.00 0.00 C ATOM 0 H ALA A 64 -6.288 -5.298 8.030 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.004 -5.199 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.943 -5.146 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.253 -6.423 10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.356 -4.908 10.390 1.00 0.00 H new ATOM 1069 N MET A 65 -7.141 -2.498 9.366 1.00 0.00 N ATOM 1070 CA MET A 65 -7.208 -1.056 9.567 1.00 0.00 C ATOM 1071 C MET A 65 -7.925 -0.378 8.404 1.00 0.00 C ATOM 1072 O MET A 65 -8.623 0.619 8.591 1.00 0.00 O ATOM 1073 CB MET A 65 -5.801 -0.475 9.721 1.00 0.00 C ATOM 1074 CG MET A 65 -5.049 -0.344 8.406 1.00 0.00 C ATOM 1075 SD MET A 65 -3.361 0.251 8.626 1.00 0.00 S ATOM 1076 CE MET A 65 -2.612 -1.155 9.447 1.00 0.00 C ATOM 0 H MET A 65 -6.194 -2.873 9.314 1.00 0.00 H new ATOM 0 HA MET A 65 -7.773 -0.868 10.480 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.872 0.507 10.189 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.227 -1.109 10.396 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.026 -1.313 7.907 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.588 0.340 7.750 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.705 -0.836 9.961 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.313 -1.569 10.171 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.361 -1.916 8.708 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.749 -0.924 7.206 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.380 -0.372 6.014 1.00 0.00 C ATOM 1088 C ILE A 66 -9.882 -0.635 6.016 1.00 0.00 C ATOM 1089 O ILE A 66 -10.681 0.270 5.775 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.768 -0.960 4.729 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.679 -0.032 4.185 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.850 -1.186 3.683 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.613 0.308 5.203 1.00 0.00 C ATOM 0 H ILE A 66 -7.174 -1.749 7.035 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.202 0.703 6.031 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.313 -1.922 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.209 -0.503 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.141 0.890 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.402 -1.602 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.593 -1.881 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.330 -0.237 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.874 0.969 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.071 0.808 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.125 -0.607 5.538 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.259 -1.880 6.290 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.666 -2.262 6.324 1.00 0.00 C ATOM 1107 C GLU A 67 -12.432 -1.425 7.345 1.00 0.00 C ATOM 1108 O GLU A 67 -13.480 -0.859 7.038 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.805 -3.748 6.660 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.682 -4.659 5.449 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.521 -6.118 5.831 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.286 -6.396 7.026 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -11.628 -6.980 4.935 1.00 0.00 O ATOM 0 H GLU A 67 -9.610 -2.641 6.492 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.090 -2.078 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.041 -4.020 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.772 -3.916 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.567 -4.547 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.826 -4.347 4.850 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.899 -1.351 8.561 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.546 -0.582 9.608 1.00 0.00 C ATOM 1122 C GLY A 68 -12.561 0.904 9.312 1.00 0.00 C ATOM 1123 O GLY A 68 -13.594 1.559 9.443 1.00 0.00 O ATOM 0 H GLY A 68 -11.031 -1.809 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.570 -0.935 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.031 -0.756 10.553 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.411 1.437 8.912 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.296 2.856 8.595 1.00 0.00 C ATOM 1129 C ALA A 69 -12.258 3.249 7.480 1.00 0.00 C ATOM 1130 O ALA A 69 -13.031 4.198 7.620 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.865 3.195 8.205 1.00 0.00 C ATOM 0 H ALA A 69 -10.546 0.908 8.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.562 3.425 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.794 4.257 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.197 2.960 9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.578 2.611 7.331 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.206 2.515 6.373 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.072 2.789 5.233 1.00 0.00 C ATOM 1139 C GLN A 70 -14.536 2.553 5.592 1.00 0.00 C ATOM 1140 O GLN A 70 -15.427 3.239 5.091 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.680 1.911 4.044 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.215 0.491 4.133 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.818 -0.359 2.942 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.355 -1.489 3.098 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -12.998 0.183 1.743 1.00 0.00 N ATOM 0 H GLN A 70 -11.573 1.726 6.242 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.947 3.837 4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.047 2.372 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.593 1.877 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.846 0.025 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.302 0.521 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.385 1.123 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.749 -0.341 0.904 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.776 1.580 6.465 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.134 1.271 6.877 1.00 0.00 C ATOM 1156 C GLY A 71 -16.796 2.425 7.602 1.00 0.00 C ATOM 1157 O GLY A 71 -17.893 2.849 7.238 1.00 0.00 O ATOM 0 H GLY A 71 -14.055 1.000 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.726 1.009 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.123 0.396 7.527 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.130 2.934 8.634 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.661 4.045 9.413 1.00 0.00 C ATOM 1163 C ALA A 72 -16.665 5.334 8.597 1.00 0.00 C ATOM 1164 O ALA A 72 -17.656 6.066 8.580 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.854 4.229 10.689 1.00 0.00 C ATOM 0 H ALA A 72 -15.222 2.594 8.949 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.692 3.810 9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.262 5.062 11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.906 3.319 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.815 4.438 10.435 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.554 5.606 7.924 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.429 6.808 7.107 1.00 0.00 C ATOM 1173 C LEU A 73 -16.525 6.862 6.047 1.00 0.00 C ATOM 1174 O LEU A 73 -17.275 7.834 5.967 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.054 6.852 6.437 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.699 8.155 5.720 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.174 9.183 6.709 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -12.676 7.898 4.622 1.00 0.00 C ATOM 0 H LEU A 73 -14.726 5.011 7.927 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.537 7.674 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.296 6.660 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.997 6.037 5.716 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.604 8.552 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.927 10.103 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.938 9.389 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.281 8.794 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.435 8.836 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.771 7.477 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.089 7.196 3.897 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.612 5.811 5.238 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.617 5.739 4.185 1.00 0.00 C ATOM 1192 C GLU A 74 -19.024 5.866 4.766 1.00 0.00 C ATOM 1193 O GLU A 74 -19.819 6.693 4.319 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.489 4.423 3.415 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.247 4.348 2.544 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.121 3.020 1.820 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -16.402 1.976 2.445 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.743 3.028 0.630 1.00 0.00 O ATOM 0 H GLU A 74 -15.999 4.998 5.292 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.448 6.570 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.476 3.596 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.371 4.291 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.272 5.156 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.364 4.505 3.163 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.321 5.041 5.764 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.631 5.059 6.405 1.00 0.00 C ATOM 1207 C ARG A 75 -20.925 6.432 7.002 1.00 0.00 C ATOM 1208 O ARG A 75 -22.084 6.824 7.139 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.702 3.990 7.497 1.00 0.00 C ATOM 1210 CG ARG A 75 -20.848 2.577 6.958 1.00 0.00 C ATOM 1211 CD ARG A 75 -20.877 1.552 8.082 1.00 0.00 C ATOM 1212 NE ARG A 75 -19.750 1.711 8.997 1.00 0.00 N ATOM 1213 CZ ARG A 75 -19.713 1.185 10.215 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -20.736 0.469 10.664 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -18.653 1.373 10.989 1.00 0.00 N ATOM 0 H ARG A 75 -18.673 4.352 6.146 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.383 4.844 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -19.800 4.046 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.545 4.208 8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.764 2.503 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.020 2.356 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -21.810 1.648 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -20.861 0.548 7.658 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.947 2.256 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -21.554 0.322 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.704 0.066 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.864 1.923 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.627 0.968 11.925 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.869 7.157 7.354 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.015 8.487 7.938 1.00 0.00 C ATOM 1231 C GLU A 76 -20.309 9.524 6.858 1.00 0.00 C ATOM 1232 O GLU A 76 -21.296 10.256 6.938 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.748 8.874 8.702 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.871 10.188 9.457 1.00 0.00 C ATOM 1235 CD GLU A 76 -17.820 10.338 10.540 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -17.624 9.378 11.313 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -17.196 11.417 10.614 1.00 0.00 O ATOM 0 H GLU A 76 -18.903 6.847 7.246 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.855 8.462 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.503 8.080 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.917 8.944 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.784 11.016 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.862 10.254 9.906 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.444 9.583 5.851 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.610 10.532 4.755 1.00 0.00 C ATOM 1246 C LEU A 77 -20.896 10.253 3.983 1.00 0.00 C ATOM 1247 O LEU A 77 -21.432 11.133 3.310 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.410 10.463 3.810 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.058 9.077 3.270 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -18.851 8.780 2.007 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.564 8.972 3.000 1.00 0.00 C ATOM 0 H LEU A 77 -18.621 8.985 5.771 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.673 11.534 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.602 11.122 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.539 10.859 4.332 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.323 8.337 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.588 7.789 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -19.917 8.812 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.617 9.526 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.333 7.978 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.274 9.722 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.014 9.140 3.926 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.387 9.023 4.087 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.612 8.627 3.401 1.00 0.00 C ATOM 1265 C LYS A 78 -23.819 9.361 3.977 1.00 0.00 C ATOM 1266 O LYS A 78 -24.901 9.353 3.390 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.819 7.115 3.515 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.682 6.381 2.192 1.00 0.00 C ATOM 1269 CD LYS A 78 -21.345 5.666 2.087 1.00 0.00 C ATOM 1270 CE LYS A 78 -21.204 4.943 0.757 1.00 0.00 C ATOM 1271 NZ LYS A 78 -19.905 4.223 0.652 1.00 0.00 N ATOM 0 H LYS A 78 -20.955 8.282 4.640 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.513 8.895 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.095 6.710 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.810 6.922 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -23.491 5.658 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.782 7.089 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.535 6.387 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.248 4.950 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.023 4.233 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.288 5.662 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -19.848 3.743 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.123 4.903 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.836 3.519 1.414 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.571 15.774 -4.225 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.838 16.772 -4.996 1.00 0.00 C ATOM 1356 C ASN A 83 -24.094 16.123 -6.159 1.00 0.00 C ATOM 1357 O ASN A 83 -23.569 15.016 -6.033 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.848 17.516 -4.096 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.614 18.944 -4.549 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -22.473 19.379 -4.702 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.698 19.680 -4.766 1.00 0.00 N ATOM 0 HA ASN A 83 -25.559 17.483 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.223 17.519 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.898 16.981 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.604 20.648 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.624 19.277 -4.626 1.00 0.00 H new ATOM 1368 N ILE A 84 -24.054 16.819 -7.290 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.374 16.311 -8.475 1.00 0.00 C ATOM 1370 C ILE A 84 -21.913 15.990 -8.176 1.00 0.00 C ATOM 1371 O ILE A 84 -21.443 14.883 -8.441 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.439 17.320 -9.638 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.894 17.641 -9.982 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.708 16.772 -10.855 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.055 18.897 -10.810 1.00 0.00 C ATOM 0 H ILE A 84 -24.484 17.736 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.891 15.397 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.947 18.242 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -25.325 16.800 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.462 17.749 -9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.762 17.496 -11.668 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.664 16.590 -10.601 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -23.173 15.838 -11.169 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.112 19.063 -11.017 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.654 19.749 -10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.515 18.785 -11.750 1.00 0.00 H new ATOM 1387 N LEU A 85 -21.201 16.964 -7.620 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.794 16.786 -7.282 1.00 0.00 C ATOM 1389 C LEU A 85 -19.621 15.699 -6.227 1.00 0.00 C ATOM 1390 O LEU A 85 -18.766 14.824 -6.357 1.00 0.00 O ATOM 1391 CB LEU A 85 -19.199 18.102 -6.777 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.814 18.464 -7.315 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.800 17.396 -6.936 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.860 18.646 -8.825 1.00 0.00 C ATOM 0 H LEU A 85 -21.575 17.885 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 85 -19.266 16.479 -8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.887 18.909 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.144 18.059 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.504 19.407 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.820 17.670 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.747 17.313 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.105 16.439 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.866 18.903 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -18.190 17.719 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -18.557 19.446 -9.074 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.441 15.759 -5.182 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.379 14.779 -4.104 1.00 0.00 C ATOM 1408 C GLU A 86 -20.599 13.367 -4.641 1.00 0.00 C ATOM 1409 O GLU A 86 -19.907 12.427 -4.247 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.425 15.098 -3.033 1.00 0.00 C ATOM 1411 CG GLU A 86 -21.155 16.394 -2.287 1.00 0.00 C ATOM 1412 CD GLU A 86 -20.136 16.227 -1.177 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -18.926 16.190 -1.484 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -20.548 16.133 -0.002 1.00 0.00 O ATOM 0 H GLU A 86 -21.156 16.476 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.386 14.830 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.407 15.156 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.462 14.277 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.800 17.147 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -22.088 16.767 -1.865 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.567 13.227 -5.541 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.880 11.930 -6.130 1.00 0.00 C ATOM 1423 C ARG A 87 -20.697 11.398 -6.934 1.00 0.00 C ATOM 1424 O ARG A 87 -20.316 10.235 -6.801 1.00 0.00 O ATOM 1425 CB ARG A 87 -23.113 12.039 -7.029 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.591 10.702 -7.572 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.992 10.806 -8.152 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.577 9.492 -8.410 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.824 9.312 -8.830 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -27.614 10.356 -9.038 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.283 8.085 -9.043 1.00 0.00 N ATOM 0 H ARG A 87 -22.148 13.995 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.090 11.232 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.923 12.503 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.885 12.701 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.902 10.353 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.580 9.959 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.630 11.358 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.959 11.376 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.996 8.668 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -27.265 11.300 -8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -28.571 10.215 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -26.678 7.279 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.241 7.948 -9.366 1.00 0.00 H new ATOM 1445 N PHE A 88 -20.120 12.258 -7.767 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.981 11.874 -8.594 1.00 0.00 C ATOM 1447 C PHE A 88 -17.827 11.373 -7.730 1.00 0.00 C ATOM 1448 O PHE A 88 -17.341 10.258 -7.913 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.519 13.059 -9.444 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.236 12.804 -10.180 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -17.062 11.642 -10.914 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -16.202 13.726 -10.138 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.882 11.404 -11.594 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -15.020 13.493 -10.814 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.859 12.331 -11.544 1.00 0.00 C ATOM 0 H PHE A 88 -20.422 13.225 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.297 11.065 -9.252 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.299 13.305 -10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.393 13.930 -8.801 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.858 10.913 -10.956 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -16.322 14.637 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.760 10.495 -12.164 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.222 14.219 -10.772 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.936 12.148 -12.074 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.395 12.205 -6.789 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.297 11.847 -5.898 1.00 0.00 C ATOM 1467 C ASN A 89 -16.636 10.597 -5.092 1.00 0.00 C ATOM 1468 O ASN A 89 -15.802 9.706 -4.928 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.983 13.008 -4.951 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.515 14.247 -5.690 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.611 14.326 -6.915 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.005 15.222 -4.947 1.00 0.00 N ATOM 0 H ASN A 89 -17.788 13.132 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.419 11.637 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.873 13.250 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.214 12.698 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.673 16.080 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.945 15.113 -3.935 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.865 10.538 -4.591 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.314 9.397 -3.801 1.00 0.00 C ATOM 1481 C TYR A 90 -18.264 8.112 -4.622 1.00 0.00 C ATOM 1482 O TYR A 90 -17.778 7.083 -4.154 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.737 9.634 -3.289 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.792 10.416 -1.997 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.876 11.427 -1.734 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.761 10.145 -1.039 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.924 12.144 -0.554 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.817 10.857 0.143 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.895 11.856 0.381 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.946 12.569 1.557 1.00 0.00 O ATOM 0 H TYR A 90 -18.568 11.266 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.641 9.289 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.304 10.168 -4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.227 8.671 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.114 11.656 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.484 9.363 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.204 12.927 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.578 10.633 0.877 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.592 12.152 2.165 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.770 8.181 -5.849 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.784 7.024 -6.736 1.00 0.00 C ATOM 1502 C GLU A 91 -17.369 6.499 -6.968 1.00 0.00 C ATOM 1503 O GLU A 91 -17.089 5.321 -6.747 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.432 7.385 -8.074 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.948 7.304 -8.058 1.00 0.00 C ATOM 1506 CD GLU A 91 -21.456 5.877 -8.147 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.223 5.226 -9.186 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -22.087 5.412 -7.173 1.00 0.00 O ATOM 0 H GLU A 91 -19.176 9.026 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.370 6.240 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.134 8.396 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.049 6.717 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.323 7.763 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.348 7.881 -8.892 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.483 7.384 -7.415 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.098 7.010 -7.677 1.00 0.00 C ATOM 1517 C GLU A 92 -14.439 6.445 -6.422 1.00 0.00 C ATOM 1518 O GLU A 92 -13.810 5.388 -6.461 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.307 8.219 -8.182 1.00 0.00 C ATOM 1520 CG GLU A 92 -13.050 7.846 -8.949 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.299 7.690 -10.437 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -14.122 6.831 -10.815 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.670 8.428 -11.224 1.00 0.00 O ATOM 0 H GLU A 92 -16.699 8.363 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.097 6.237 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.950 8.820 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.032 8.844 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.291 8.612 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.650 6.913 -8.552 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.588 7.159 -5.311 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.009 6.729 -4.044 1.00 0.00 C ATOM 1532 C ALA A 93 -14.388 5.286 -3.728 1.00 0.00 C ATOM 1533 O ALA A 93 -13.527 4.463 -3.419 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.455 7.652 -2.920 1.00 0.00 C ATOM 0 H ALA A 93 -15.104 8.037 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.924 6.780 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.015 7.319 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.128 8.670 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.542 7.629 -2.840 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.681 4.988 -3.807 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.173 3.644 -3.528 1.00 0.00 C ATOM 1542 C GLN A 94 -15.641 2.646 -4.551 1.00 0.00 C ATOM 1543 O GLN A 94 -15.383 1.486 -4.227 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.703 3.628 -3.531 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.297 2.281 -3.149 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.805 2.243 -3.306 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.546 2.474 -2.351 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.267 1.952 -4.517 1.00 0.00 N ATOM 0 H GLN A 94 -16.406 5.659 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.815 3.351 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.068 4.386 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.059 3.905 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.851 1.503 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.037 2.054 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.616 1.767 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.273 1.913 -4.684 1.00 0.00 H new ATOM 1557 N THR A 95 -15.477 3.104 -5.788 1.00 0.00 N ATOM 1558 CA THR A 95 -14.977 2.252 -6.859 1.00 0.00 C ATOM 1559 C THR A 95 -13.578 1.734 -6.542 1.00 0.00 C ATOM 1560 O THR A 95 -13.323 0.530 -6.599 1.00 0.00 O ATOM 1561 CB THR A 95 -14.941 3.002 -8.204 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.227 3.561 -8.488 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.528 2.069 -9.334 1.00 0.00 C ATOM 0 H THR A 95 -15.684 4.061 -6.073 1.00 0.00 H new ATOM 0 HA THR A 95 -15.664 1.410 -6.939 1.00 0.00 H new ATOM 0 HB THR A 95 -14.206 3.803 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.425 4.271 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.510 2.621 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.535 1.667 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.243 1.249 -9.409 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.676 2.649 -6.207 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.302 2.284 -5.878 1.00 0.00 C ATOM 1573 C LEU A 96 -11.249 1.450 -4.602 1.00 0.00 C ATOM 1574 O LEU A 96 -10.540 0.446 -4.535 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.445 3.541 -5.715 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.138 4.316 -6.997 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.350 5.578 -6.682 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.376 3.440 -7.981 1.00 0.00 C ATOM 0 H LEU A 96 -12.871 3.649 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.906 1.684 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.950 4.213 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.500 3.255 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.082 4.607 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.141 6.116 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.933 6.214 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.411 5.309 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.166 4.008 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.438 3.117 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.977 2.566 -8.232 1.00 0.00 H new ATOM 1590 N SER A 97 -12.006 1.871 -3.595 1.00 0.00 N ATOM 1591 CA SER A 97 -12.045 1.164 -2.320 1.00 0.00 C ATOM 1592 C SER A 97 -12.567 -0.258 -2.504 1.00 0.00 C ATOM 1593 O SER A 97 -12.039 -1.206 -1.922 1.00 0.00 O ATOM 1594 CB SER A 97 -12.925 1.917 -1.320 1.00 0.00 C ATOM 1595 OG SER A 97 -14.275 1.495 -1.411 1.00 0.00 O ATOM 0 H SER A 97 -12.601 2.698 -3.637 1.00 0.00 H new ATOM 0 HA SER A 97 -11.028 1.113 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.556 1.750 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.862 2.988 -1.510 1.00 0.00 H new ATOM 0 HG SER A 97 -14.813 1.976 -0.748 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.608 -0.399 -3.318 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.202 -1.704 -3.581 1.00 0.00 C ATOM 1603 C LYS A 98 -13.204 -2.627 -4.272 1.00 0.00 C ATOM 1604 O LYS A 98 -12.996 -3.763 -3.844 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.455 -1.551 -4.447 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.722 -1.306 -3.644 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.933 -1.148 -4.549 1.00 0.00 C ATOM 1608 CE LYS A 98 -19.223 -1.076 -3.746 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.649 -2.418 -3.260 1.00 0.00 N ATOM 0 H LYS A 98 -14.058 0.375 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.479 -2.148 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.308 -0.723 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.584 -2.451 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.885 -2.137 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.601 -0.409 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.825 -0.244 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.982 -1.987 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.085 -0.409 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.012 -0.646 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.541 -2.329 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.789 -3.053 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.915 -2.810 -2.636 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.589 -2.132 -5.340 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.611 -2.912 -6.088 1.00 0.00 C ATOM 1625 C ILE A 99 -10.477 -3.384 -5.184 1.00 0.00 C ATOM 1626 O ILE A 99 -10.129 -4.566 -5.171 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.018 -2.102 -7.255 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.125 -1.667 -8.218 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -9.963 -2.919 -7.987 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.799 -0.403 -8.983 1.00 0.00 C ATOM 0 H ILE A 99 -12.751 -1.194 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.138 -3.778 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.542 -1.209 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.315 -2.472 -8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.046 -1.514 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.554 -2.332 -8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.163 -3.183 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.416 -3.829 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.628 -0.155 -9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.638 0.415 -8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.896 -0.558 -9.574 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.905 -2.455 -4.427 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.810 -2.775 -3.517 1.00 0.00 C ATOM 1644 C LEU A 100 -9.229 -3.850 -2.520 1.00 0.00 C ATOM 1645 O LEU A 100 -8.499 -4.815 -2.286 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.357 -1.519 -2.771 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.492 -1.751 -1.531 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.160 -2.373 -1.919 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.275 -0.445 -0.781 1.00 0.00 C ATOM 0 H LEU A 100 -10.181 -1.473 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.978 -3.158 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.801 -0.889 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.243 -0.959 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.014 -2.443 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.558 -2.531 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.335 -3.329 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.631 -1.705 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.658 -0.629 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.774 0.270 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.238 -0.040 -0.470 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.410 -3.679 -1.934 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.927 -4.636 -0.962 1.00 0.00 C ATOM 1663 C LEU A 101 -10.973 -6.041 -1.553 1.00 0.00 C ATOM 1664 O LEU A 101 -10.467 -6.993 -0.958 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.325 -4.218 -0.501 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.393 -3.430 0.807 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.805 -2.924 1.053 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.920 -4.287 1.972 1.00 0.00 C ATOM 0 H LEU A 101 -11.027 -2.887 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.255 -4.645 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.781 -3.617 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.934 -5.116 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.730 -2.568 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.834 -2.366 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.106 -2.273 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.489 -3.770 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.975 -3.709 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.556 -5.168 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.890 -4.598 1.800 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.580 -6.164 -2.729 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.689 -7.451 -3.403 1.00 0.00 C ATOM 1682 C LYS A 102 -10.314 -8.082 -3.597 1.00 0.00 C ATOM 1683 O LYS A 102 -10.099 -9.244 -3.252 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.380 -7.284 -4.758 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.884 -7.098 -4.654 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.521 -6.920 -6.022 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.123 -5.594 -6.654 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.706 -5.429 -8.013 1.00 0.00 N ATOM 0 H LYS A 102 -12.004 -5.386 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.288 -8.111 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.951 -6.424 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.172 -8.160 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.325 -7.962 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.102 -6.228 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.220 -7.740 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.606 -6.969 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.453 -4.774 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.036 -5.533 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.411 -4.513 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.371 -6.197 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.744 -5.461 -7.952 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.387 -7.309 -4.151 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.031 -7.791 -4.388 1.00 0.00 C ATOM 1704 C ASP A 103 -7.409 -8.321 -3.100 1.00 0.00 C ATOM 1705 O ASP A 103 -6.835 -9.411 -3.077 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.162 -6.673 -4.966 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.108 -6.705 -6.480 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.115 -6.334 -7.119 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.058 -7.102 -7.028 1.00 0.00 O ATOM 0 H ASP A 103 -9.549 -6.346 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.084 -8.608 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.552 -5.709 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.151 -6.760 -4.568 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.525 -7.544 -2.029 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.974 -7.934 -0.736 1.00 0.00 C ATOM 1716 C LEU A 104 -7.551 -9.270 -0.279 1.00 0.00 C ATOM 1717 O LEU A 104 -6.825 -10.138 0.206 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.263 -6.855 0.310 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.064 -6.381 1.133 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.960 -5.868 0.221 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.489 -5.301 2.118 1.00 0.00 C ATOM 0 H LEU A 104 -7.996 -6.639 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.895 -8.044 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.695 -5.992 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.021 -7.235 0.995 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.676 -7.229 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.115 -5.535 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.637 -6.668 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.335 -5.033 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.624 -4.975 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.902 -4.453 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.246 -5.701 2.793 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.860 -9.429 -0.438 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.535 -10.660 -0.046 1.00 0.00 C ATOM 1735 C LYS A 105 -8.956 -11.858 -0.788 1.00 0.00 C ATOM 1736 O LYS A 105 -8.607 -12.869 -0.179 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.036 -10.553 -0.322 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.878 -10.414 0.935 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.600 -9.078 0.979 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.520 -8.981 2.187 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.955 -9.026 1.795 1.00 0.00 N ATOM 0 H LYS A 105 -9.475 -8.720 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.378 -10.806 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.218 -9.694 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.360 -11.438 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.607 -11.224 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.240 -10.513 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.870 -8.269 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.181 -8.947 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.305 -9.800 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.319 -8.054 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.550 -8.957 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.166 -8.230 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.153 -9.922 1.306 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.853 -11.738 -2.109 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.315 -12.814 -2.933 1.00 0.00 C ATOM 1757 C GLU A 106 -6.906 -13.190 -2.485 1.00 0.00 C ATOM 1758 O GLU A 106 -6.586 -14.369 -2.322 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.299 -12.399 -4.407 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.699 -13.446 -5.328 1.00 0.00 C ATOM 1761 CD GLU A 106 -7.812 -13.068 -6.793 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -8.888 -12.582 -7.198 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -6.825 -13.261 -7.534 1.00 0.00 O ATOM 0 H GLU A 106 -9.135 -10.908 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.960 -13.685 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.319 -12.188 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.735 -11.472 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.649 -13.589 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.200 -14.400 -5.163 1.00 0.00 H new ATOM 1770 N THR A 107 -6.064 -12.179 -2.287 1.00 0.00 N ATOM 1771 CA THR A 107 -4.689 -12.403 -1.859 1.00 0.00 C ATOM 1772 C THR A 107 -4.640 -13.203 -0.563 1.00 0.00 C ATOM 1773 O THR A 107 -3.965 -14.229 -0.482 1.00 0.00 O ATOM 1774 CB THR A 107 -3.942 -11.072 -1.655 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.880 -10.002 -1.494 1.00 0.00 O ATOM 1776 CG2 THR A 107 -3.027 -10.778 -2.835 1.00 0.00 C ATOM 0 H THR A 107 -6.311 -11.198 -2.416 1.00 0.00 H new ATOM 0 HA THR A 107 -4.199 -12.970 -2.651 1.00 0.00 H new ATOM 0 HB THR A 107 -3.333 -11.158 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.279 -10.049 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.510 -9.833 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.295 -11.579 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.620 -10.711 -3.747 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.360 -12.729 0.449 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.398 -13.403 1.741 1.00 0.00 C ATOM 1786 C GLU A 108 -5.796 -14.867 1.580 1.00 0.00 C ATOM 1787 O GLU A 108 -5.141 -15.761 2.116 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.378 -12.697 2.681 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.369 -13.250 4.096 1.00 0.00 C ATOM 1790 CD GLU A 108 -5.312 -12.602 4.969 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -5.309 -11.357 5.072 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -4.490 -13.339 5.552 1.00 0.00 O ATOM 0 H GLU A 108 -5.925 -11.881 0.399 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.398 -13.362 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.136 -11.635 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.385 -12.782 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.350 -13.099 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.196 -14.326 4.061 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.874 -15.104 0.840 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.360 -16.459 0.609 1.00 0.00 C ATOM 1801 C GLN A 109 -6.253 -17.346 0.050 1.00 0.00 C ATOM 1802 O GLN A 109 -5.975 -18.421 0.584 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.549 -16.440 -0.354 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.561 -17.543 -0.091 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.628 -17.132 0.905 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.838 -15.945 1.153 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.308 -18.116 1.483 1.00 0.00 N ATOM 0 H GLN A 109 -7.428 -14.375 0.390 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.682 -16.870 1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.049 -15.474 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.180 -16.532 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.036 -17.826 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.042 -18.426 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.100 -19.086 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.038 -17.901 2.162 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.623 -16.891 -1.027 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.545 -17.643 -1.660 1.00 0.00 C ATOM 1818 C LYS A 110 -3.468 -18.007 -0.643 1.00 0.00 C ATOM 1819 O LYS A 110 -3.036 -19.158 -0.567 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.930 -16.830 -2.802 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.829 -16.719 -4.021 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.992 -18.060 -4.717 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.921 -17.955 -5.917 1.00 0.00 C ATOM 1824 NZ LYS A 110 -5.235 -17.363 -7.098 1.00 0.00 N ATOM 0 H LYS A 110 -5.840 -16.004 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.965 -18.564 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.697 -15.829 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.987 -17.289 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.807 -16.343 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.410 -15.994 -4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.017 -18.424 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.387 -18.791 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.296 -18.946 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.785 -17.345 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.901 -17.308 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.899 -16.408 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.425 -17.959 -7.364 1.00 0.00 H new ATOM 1838 N VAL A 111 -3.039 -17.020 0.138 1.00 0.00 N ATOM 1839 CA VAL A 111 -2.015 -17.238 1.152 1.00 0.00 C ATOM 1840 C VAL A 111 -2.421 -18.348 2.116 1.00 0.00 C ATOM 1841 O VAL A 111 -1.628 -19.234 2.431 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.736 -15.953 1.953 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.538 -16.145 2.871 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.517 -14.777 1.015 1.00 0.00 C ATOM 0 H VAL A 111 -3.385 -16.062 0.087 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.107 -17.533 0.626 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.606 -15.736 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.356 -15.226 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.740 -16.959 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.342 -16.388 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.321 -13.878 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.665 -14.982 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.408 -14.627 0.405 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.666 -18.293 2.580 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.181 -19.293 3.507 1.00 0.00 C ATOM 1856 C LYS A 112 -4.216 -20.672 2.855 1.00 0.00 C ATOM 1857 O LYS A 112 -4.010 -21.688 3.519 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.583 -18.906 3.980 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.608 -17.670 4.862 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.895 -16.882 4.682 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.082 -17.603 5.300 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.017 -17.604 6.788 1.00 0.00 N ATOM 0 H LYS A 112 -4.336 -17.566 2.329 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.512 -19.333 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.216 -18.734 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.016 -19.742 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.504 -17.965 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.755 -17.035 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.787 -15.898 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.079 -16.721 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.006 -17.124 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.112 -18.630 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.935 -17.903 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.277 -18.264 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.793 -16.646 7.126 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.474 -20.699 1.553 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.533 -21.953 0.811 1.00 0.00 C ATOM 1878 C ASP A 113 -3.162 -22.621 0.762 1.00 0.00 C ATOM 1879 O ASP A 113 -3.039 -23.824 0.989 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.046 -21.707 -0.609 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.035 -22.966 -1.455 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.846 -23.874 -1.178 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.214 -23.042 -2.393 1.00 0.00 O ATOM 0 H ASP A 113 -4.646 -19.867 0.989 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.223 -22.620 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.061 -21.313 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.430 -20.946 -1.088 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.136 -21.830 0.463 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.775 -22.346 0.385 1.00 0.00 C ATOM 1890 C ILE A 114 -0.364 -23.015 1.691 1.00 0.00 C ATOM 1891 O ILE A 114 -0.455 -22.416 2.763 1.00 0.00 O ATOM 1892 CB ILE A 114 0.232 -21.226 0.056 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.378 -21.072 -1.459 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.579 -21.522 0.697 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.457 -19.950 -2.035 1.00 0.00 C ATOM 0 H ILE A 114 -2.221 -20.832 0.271 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.763 -23.084 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.143 -20.287 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.426 -20.894 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.096 -22.008 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.280 -20.723 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.461 -21.587 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.963 -22.468 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.304 -19.899 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.510 -20.136 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.159 -19.005 -1.581 1.00 0.00 H new ATOM 1907 N GLN A 115 0.090 -24.261 1.594 1.00 0.00 N ATOM 1908 CA GLN A 115 0.516 -25.012 2.769 1.00 0.00 C ATOM 1909 C GLN A 115 2.001 -24.798 3.042 1.00 0.00 C ATOM 1910 O GLN A 115 2.825 -24.842 2.128 1.00 0.00 O ATOM 1911 CB GLN A 115 0.230 -26.502 2.579 1.00 0.00 C ATOM 1912 CG GLN A 115 0.855 -27.087 1.323 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.140 -27.861 0.481 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -0.672 -28.884 0.912 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.398 -27.375 -0.728 1.00 0.00 N ATOM 0 H GLN A 115 0.172 -24.771 0.714 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.049 -24.648 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.600 -27.048 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.849 -26.655 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.282 -26.282 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.677 -27.745 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.066 -26.524 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.060 -27.853 -1.339 1.00 0.00 H new ATOM 1924 N THR A 116 2.338 -24.566 4.308 1.00 0.00 N ATOM 1925 CA THR A 116 3.723 -24.344 4.702 1.00 0.00 C ATOM 1926 C THR A 116 3.976 -24.834 6.123 1.00 0.00 C ATOM 1927 O THR A 116 3.037 -25.100 6.873 1.00 0.00 O ATOM 1928 CB THR A 116 4.101 -22.853 4.609 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.360 -22.100 5.576 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.826 -22.310 3.216 1.00 0.00 C ATOM 0 H THR A 116 1.670 -24.527 5.077 1.00 0.00 H new ATOM 0 HA THR A 116 4.344 -24.912 4.010 1.00 0.00 H new ATOM 0 HB THR A 116 5.167 -22.757 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.701 -21.538 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.101 -21.256 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.414 -22.867 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.766 -22.418 2.986 1.00 0.00 H new ATOM 1938 N GLN A 117 5.249 -24.949 6.487 1.00 0.00 N ATOM 1939 CA GLN A 117 5.624 -25.407 7.819 1.00 0.00 C ATOM 1940 C GLN A 117 5.000 -26.765 8.123 1.00 0.00 C ATOM 1941 O GLN A 117 5.381 -27.434 9.085 1.00 0.00 O ATOM 1942 CB GLN A 117 5.191 -24.386 8.872 1.00 0.00 C ATOM 1943 CG GLN A 117 5.812 -24.622 10.239 1.00 0.00 C ATOM 1944 CD GLN A 117 5.902 -23.355 11.067 1.00 0.00 C ATOM 1945 OE1 GLN A 117 6.571 -22.396 10.682 1.00 0.00 O ATOM 1946 NE2 GLN A 117 5.227 -23.345 12.210 1.00 0.00 N ATOM 0 H GLN A 117 6.038 -24.731 5.878 1.00 0.00 H new ATOM 0 HA GLN A 117 6.709 -25.511 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.458 -23.387 8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 117 4.105 -24.411 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.222 -25.363 10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.811 -25.040 10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.685 -24.163 12.490 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.250 -22.519 12.809 1.00 0.00 H new