USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 HIS : no HE2:sc= -9.22! C(o=-16!,f=-22!) USER MOD Set 2.2: A 60 MET CE :methyl -149:sc= -6.71! (180deg=-6.13!) USER MOD Single : A 21 ASN : amide:sc= -1.65 X(o=-1.6,f=-2.1!) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.539 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 38:sc= 0.0141 USER MOD Single : A 26 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.45) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -74:sc= 1.17 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.11) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.114 USER MOD Single : A 54 SER OG : rot 67:sc= 0.725 USER MOD Single : A 55 SER OG : rot 180:sc= -0.302 USER MOD Single : A 64 ASN : amide:sc= -0.396 K(o=-0.4,f=-3.4!) USER MOD Single : A 70 MET CE :methyl 142:sc= -3.16! (180deg=-4.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -132:sc= 0.47 USER MOD Single : A 76 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.53) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.6! C(o=-5.6!,f=-5.6!) USER MOD Single : A 80 THR OG1 : rot -134:sc= 0.0624 USER MOD Single : A 83 SER OG : rot 64:sc= 0.679 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -3.7! K(o=-3.7!,f=-1.6) USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.305) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.238 5.809 -6.048 1.00 0.00 N ATOM 264 CA ASN A 21 -0.659 7.095 -5.518 1.00 0.00 C ATOM 265 C ASN A 21 -0.458 7.107 -4.001 1.00 0.00 C ATOM 266 O ASN A 21 0.321 7.904 -3.481 1.00 0.00 O ATOM 267 CB ASN A 21 -2.141 7.348 -5.800 1.00 0.00 C ATOM 268 CG ASN A 21 -2.454 8.846 -5.781 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.575 9.690 -5.722 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.753 9.128 -5.834 1.00 0.00 N ATOM 0 HA ASN A 21 -0.063 7.870 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.407 6.929 -6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.749 6.836 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.065 10.099 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.437 8.373 -5.882 1.00 0.00 H new ATOM 277 N TYR A 22 -1.174 6.213 -3.334 1.00 0.00 N ATOM 278 CA TYR A 22 -1.084 6.111 -1.888 1.00 0.00 C ATOM 279 C TYR A 22 -1.510 4.722 -1.409 1.00 0.00 C ATOM 280 O TYR A 22 -2.520 4.187 -1.863 1.00 0.00 O ATOM 281 CB TYR A 22 -2.058 7.151 -1.330 1.00 0.00 C ATOM 282 CG TYR A 22 -3.514 6.922 -1.740 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.280 5.987 -1.074 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.062 7.651 -2.776 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.650 5.772 -1.459 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.433 7.436 -3.161 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.159 6.507 -2.484 1.00 0.00 C ATOM 288 OH TYR A 22 -7.454 6.303 -2.848 1.00 0.00 O ATOM 0 H TYR A 22 -1.819 5.553 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.060 6.277 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.993 7.148 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.748 8.141 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.851 5.416 -0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.463 8.382 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.260 5.044 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.874 8.000 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.973 6.020 -2.066 1.00 0.00 H new ATOM 298 N THR A 23 -0.718 4.177 -0.496 1.00 0.00 N ATOM 299 CA THR A 23 -1.001 2.860 0.049 1.00 0.00 C ATOM 300 C THR A 23 -1.959 2.970 1.237 1.00 0.00 C ATOM 301 O THR A 23 -2.083 4.033 1.844 1.00 0.00 O ATOM 302 CB THR A 23 0.332 2.199 0.404 1.00 0.00 C ATOM 303 OG1 THR A 23 1.058 2.202 -0.823 1.00 0.00 O ATOM 304 CG2 THR A 23 0.178 0.715 0.743 1.00 0.00 C ATOM 0 H THR A 23 0.119 4.623 -0.121 1.00 0.00 H new ATOM 0 HA THR A 23 -1.509 2.230 -0.682 1.00 0.00 H new ATOM 0 HB THR A 23 0.781 2.719 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.937 1.792 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.153 0.294 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.489 0.604 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.240 0.187 -0.114 1.00 0.00 H new ATOM 312 N TRP A 24 -2.613 1.856 1.533 1.00 0.00 N ATOM 313 CA TRP A 24 -3.557 1.814 2.637 1.00 0.00 C ATOM 314 C TRP A 24 -3.802 0.346 2.993 1.00 0.00 C ATOM 315 O TRP A 24 -3.526 -0.545 2.191 1.00 0.00 O ATOM 316 CB TRP A 24 -4.842 2.568 2.290 1.00 0.00 C ATOM 317 CG TRP A 24 -5.932 1.688 1.673 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.107 1.374 0.383 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.998 1.018 2.380 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.203 0.555 0.205 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.762 0.331 1.459 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.306 0.994 3.751 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.883 -0.431 1.809 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.429 0.228 4.085 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.209 -0.469 3.169 1.00 0.00 C ATOM 0 H TRP A 24 -2.508 0.976 1.028 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.150 2.322 3.512 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.234 3.033 3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.603 3.373 1.595 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.470 1.719 -0.418 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.541 0.183 -0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.722 1.525 4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.465 -0.961 1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.709 0.175 5.127 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.063 -1.037 3.506 1.00 0.00 H new ATOM 336 N SER A 25 -4.318 0.140 4.196 1.00 0.00 N ATOM 337 CA SER A 25 -4.604 -1.204 4.667 1.00 0.00 C ATOM 338 C SER A 25 -5.739 -1.169 5.693 1.00 0.00 C ATOM 339 O SER A 25 -6.212 -0.096 6.064 1.00 0.00 O ATOM 340 CB SER A 25 -3.358 -1.851 5.276 1.00 0.00 C ATOM 341 OG SER A 25 -2.712 -2.732 4.361 1.00 0.00 O ATOM 0 H SER A 25 -4.545 0.882 4.858 1.00 0.00 H new ATOM 0 HA SER A 25 -4.913 -1.807 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.660 -1.073 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.638 -2.402 6.174 1.00 0.00 H new ATOM 0 HG SER A 25 -2.759 -2.357 3.457 1.00 0.00 H new ATOM 347 N GLN A 26 -6.143 -2.356 6.122 1.00 0.00 N ATOM 348 CA GLN A 26 -7.213 -2.474 7.098 1.00 0.00 C ATOM 349 C GLN A 26 -6.937 -3.638 8.050 1.00 0.00 C ATOM 350 O GLN A 26 -7.038 -4.801 7.661 1.00 0.00 O ATOM 351 CB GLN A 26 -8.568 -2.640 6.407 1.00 0.00 C ATOM 352 CG GLN A 26 -8.603 -3.919 5.567 1.00 0.00 C ATOM 353 CD GLN A 26 -9.622 -4.914 6.126 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.723 -4.561 6.517 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.196 -6.174 6.141 1.00 0.00 N ATOM 0 H GLN A 26 -5.749 -3.244 5.812 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.250 -1.554 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.360 -2.670 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.764 -1.777 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.856 -3.674 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.613 -4.376 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.262 -6.401 5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.803 -6.913 6.495 1.00 0.00 H new ATOM 364 N ASP A 27 -6.593 -3.286 9.280 1.00 0.00 N ATOM 365 CA ASP A 27 -6.301 -4.288 10.292 1.00 0.00 C ATOM 366 C ASP A 27 -7.035 -3.929 11.586 1.00 0.00 C ATOM 367 O ASP A 27 -7.148 -2.754 11.934 1.00 0.00 O ATOM 368 CB ASP A 27 -4.803 -4.342 10.597 1.00 0.00 C ATOM 369 CG ASP A 27 -4.006 -3.118 10.143 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.437 -1.998 10.492 1.00 0.00 O ATOM 371 OD2 ASP A 27 -2.982 -3.329 9.457 1.00 0.00 O ATOM 0 H ASP A 27 -6.510 -2.321 9.599 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.627 -5.256 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.671 -4.465 11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.382 -5.228 10.121 1.00 0.00 H new ATOM 376 N TYR A 28 -7.513 -4.962 12.263 1.00 0.00 N ATOM 377 CA TYR A 28 -8.233 -4.770 13.511 1.00 0.00 C ATOM 378 C TYR A 28 -9.491 -3.927 13.294 1.00 0.00 C ATOM 379 O TYR A 28 -10.598 -4.461 13.236 1.00 0.00 O ATOM 380 CB TYR A 28 -7.278 -4.011 14.436 1.00 0.00 C ATOM 381 CG TYR A 28 -6.747 -4.847 15.602 1.00 0.00 C ATOM 382 CD1 TYR A 28 -7.583 -5.181 16.648 1.00 0.00 C ATOM 383 CD2 TYR A 28 -5.432 -5.267 15.608 1.00 0.00 C ATOM 384 CE1 TYR A 28 -7.083 -5.967 17.746 1.00 0.00 C ATOM 385 CE2 TYR A 28 -4.932 -6.053 16.706 1.00 0.00 C ATOM 386 CZ TYR A 28 -5.782 -6.364 17.721 1.00 0.00 C ATOM 387 OH TYR A 28 -5.310 -7.107 18.758 1.00 0.00 O ATOM 0 H TYR A 28 -7.416 -5.935 11.972 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.544 -5.729 13.926 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.434 -3.646 13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.792 -3.136 14.834 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.612 -4.853 16.643 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.778 -5.006 14.789 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.726 -6.235 18.571 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.905 -6.388 16.723 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.366 -7.319 18.605 1.00 0.00 H new ATOM 397 N THR A 29 -9.279 -2.624 13.181 1.00 0.00 N ATOM 398 CA THR A 29 -10.383 -1.702 12.972 1.00 0.00 C ATOM 399 C THR A 29 -9.859 -0.277 12.784 1.00 0.00 C ATOM 400 O THR A 29 -10.280 0.641 13.487 1.00 0.00 O ATOM 401 CB THR A 29 -11.348 -1.844 14.151 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.207 -0.714 14.035 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.655 -1.649 15.501 1.00 0.00 C ATOM 0 H THR A 29 -8.360 -2.185 13.230 1.00 0.00 H new ATOM 0 HA THR A 29 -10.928 -1.938 12.058 1.00 0.00 H new ATOM 0 HB THR A 29 -11.815 -2.829 14.121 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.723 0.094 14.306 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.384 -1.760 16.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.870 -2.396 15.618 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.217 -0.652 15.544 1.00 0.00 H new ATOM 411 N ASP A 30 -8.947 -0.136 11.833 1.00 0.00 N ATOM 412 CA ASP A 30 -8.361 1.162 11.545 1.00 0.00 C ATOM 413 C ASP A 30 -7.922 1.204 10.079 1.00 0.00 C ATOM 414 O ASP A 30 -7.996 0.197 9.377 1.00 0.00 O ATOM 415 CB ASP A 30 -7.129 1.416 12.415 1.00 0.00 C ATOM 416 CG ASP A 30 -5.966 0.448 12.187 1.00 0.00 C ATOM 417 OD1 ASP A 30 -5.838 -0.024 11.036 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.231 0.203 13.168 1.00 0.00 O ATOM 0 H ASP A 30 -8.600 -0.899 11.252 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.112 1.925 11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.778 2.432 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.425 1.364 13.463 1.00 0.00 H new ATOM 423 N LEU A 31 -7.475 2.379 9.662 1.00 0.00 N ATOM 424 CA LEU A 31 -7.024 2.565 8.294 1.00 0.00 C ATOM 425 C LEU A 31 -5.673 3.283 8.300 1.00 0.00 C ATOM 426 O LEU A 31 -5.580 4.436 8.719 1.00 0.00 O ATOM 427 CB LEU A 31 -8.096 3.280 7.469 1.00 0.00 C ATOM 428 CG LEU A 31 -9.547 2.958 7.832 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.161 4.076 8.678 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.375 2.668 6.579 1.00 0.00 C ATOM 0 H LEU A 31 -7.416 3.212 10.248 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.871 1.601 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.947 4.355 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.942 3.034 6.418 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.554 2.053 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.193 3.823 8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.588 4.193 9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.140 5.010 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.402 2.442 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.364 3.540 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.950 1.814 6.051 1.00 0.00 H new ATOM 442 N GLU A 32 -4.659 2.571 7.829 1.00 0.00 N ATOM 443 CA GLU A 32 -3.317 3.126 7.775 1.00 0.00 C ATOM 444 C GLU A 32 -2.910 3.389 6.324 1.00 0.00 C ATOM 445 O GLU A 32 -2.545 2.464 5.600 1.00 0.00 O ATOM 446 CB GLU A 32 -2.313 2.201 8.467 1.00 0.00 C ATOM 447 CG GLU A 32 -1.751 2.852 9.733 1.00 0.00 C ATOM 448 CD GLU A 32 -1.630 1.832 10.867 1.00 0.00 C ATOM 449 OE1 GLU A 32 -0.748 0.954 10.749 1.00 0.00 O ATOM 450 OE2 GLU A 32 -2.423 1.952 11.825 1.00 0.00 O ATOM 0 H GLU A 32 -4.740 1.615 7.482 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.315 4.075 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.797 1.259 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.498 1.965 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.773 3.283 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.400 3.671 10.044 1.00 0.00 H new ATOM 457 N VAL A 33 -2.986 4.656 5.942 1.00 0.00 N ATOM 458 CA VAL A 33 -2.629 5.052 4.591 1.00 0.00 C ATOM 459 C VAL A 33 -1.317 5.838 4.624 1.00 0.00 C ATOM 460 O VAL A 33 -1.249 6.916 5.212 1.00 0.00 O ATOM 461 CB VAL A 33 -3.780 5.836 3.955 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.503 6.690 4.998 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.280 6.696 2.792 1.00 0.00 C ATOM 0 H VAL A 33 -3.290 5.421 6.545 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.466 4.174 3.966 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.496 5.117 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.316 7.237 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.908 6.046 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.801 7.397 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.117 7.243 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.535 7.403 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.832 6.056 2.032 1.00 0.00 H new ATOM 473 N ARG A 34 -0.307 5.268 3.984 1.00 0.00 N ATOM 474 CA ARG A 34 1.000 5.901 3.933 1.00 0.00 C ATOM 475 C ARG A 34 1.257 6.476 2.538 1.00 0.00 C ATOM 476 O ARG A 34 1.063 5.791 1.535 1.00 0.00 O ATOM 477 CB ARG A 34 2.109 4.905 4.278 1.00 0.00 C ATOM 478 CG ARG A 34 2.286 4.786 5.793 1.00 0.00 C ATOM 479 CD ARG A 34 2.960 3.464 6.164 1.00 0.00 C ATOM 480 NE ARG A 34 2.666 3.124 7.574 1.00 0.00 N ATOM 481 CZ ARG A 34 3.353 2.221 8.288 1.00 0.00 C ATOM 482 NH1 ARG A 34 4.377 1.563 7.729 1.00 0.00 N ATOM 483 NH2 ARG A 34 3.015 1.977 9.562 1.00 0.00 N ATOM 0 H ARG A 34 -0.367 4.374 3.496 1.00 0.00 H new ATOM 0 HA ARG A 34 1.008 6.705 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.869 3.928 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.046 5.226 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.886 5.619 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.314 4.853 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.605 2.669 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.037 3.542 6.017 1.00 0.00 H new ATOM 0 HE ARG A 34 1.892 3.607 8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.634 1.749 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.899 0.876 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.235 2.478 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.537 1.290 10.106 1.00 0.00 H new ATOM 497 N VAL A 35 1.688 7.729 2.520 1.00 0.00 N ATOM 498 CA VAL A 35 1.974 8.404 1.265 1.00 0.00 C ATOM 499 C VAL A 35 3.476 8.677 1.168 1.00 0.00 C ATOM 500 O VAL A 35 4.079 9.189 2.109 1.00 0.00 O ATOM 501 CB VAL A 35 1.126 9.672 1.149 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.357 10.364 -0.196 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.357 9.362 1.359 1.00 0.00 C ATOM 0 H VAL A 35 1.846 8.294 3.354 1.00 0.00 H new ATOM 0 HA VAL A 35 1.705 7.770 0.420 1.00 0.00 H new ATOM 0 HB VAL A 35 1.439 10.357 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.743 11.262 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.408 10.637 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.085 9.686 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.937 10.281 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.690 8.649 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.502 8.935 2.351 1.00 0.00 H new ATOM 513 N PRO A 36 4.051 8.314 -0.010 1.00 0.00 N ATOM 514 CA PRO A 36 5.471 8.514 -0.242 1.00 0.00 C ATOM 515 C PRO A 36 5.781 9.989 -0.506 1.00 0.00 C ATOM 516 O PRO A 36 5.000 10.685 -1.155 1.00 0.00 O ATOM 517 CB PRO A 36 5.808 7.617 -1.422 1.00 0.00 C ATOM 518 CG PRO A 36 4.483 7.303 -2.098 1.00 0.00 C ATOM 519 CD PRO A 36 3.367 7.705 -1.147 1.00 0.00 C ATOM 0 HA PRO A 36 6.079 8.255 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.489 8.117 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.303 6.704 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.397 7.846 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.418 6.241 -2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.679 8.407 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.779 6.841 -0.839 1.00 0.00 H new ATOM 527 N VAL A 37 6.921 10.424 0.010 1.00 0.00 N ATOM 528 CA VAL A 37 7.343 11.803 -0.162 1.00 0.00 C ATOM 529 C VAL A 37 8.767 11.831 -0.721 1.00 0.00 C ATOM 530 O VAL A 37 9.507 10.856 -0.593 1.00 0.00 O ATOM 531 CB VAL A 37 7.205 12.561 1.160 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.761 12.525 1.665 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.168 12.008 2.212 1.00 0.00 C ATOM 0 H VAL A 37 7.566 9.845 0.548 1.00 0.00 H new ATOM 0 HA VAL A 37 6.701 12.311 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 37 7.470 13.603 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.691 13.071 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.106 12.988 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.456 11.490 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.050 12.564 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.948 10.955 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.193 12.110 1.856 1.00 0.00 H new ATOM 543 N PRO A 38 9.117 12.987 -1.345 1.00 0.00 N ATOM 544 CA PRO A 38 10.440 13.154 -1.924 1.00 0.00 C ATOM 545 C PRO A 38 11.490 13.383 -0.835 1.00 0.00 C ATOM 546 O PRO A 38 11.158 13.457 0.347 1.00 0.00 O ATOM 547 CB PRO A 38 10.306 14.331 -2.877 1.00 0.00 C ATOM 548 CG PRO A 38 9.046 15.069 -2.454 1.00 0.00 C ATOM 549 CD PRO A 38 8.267 14.162 -1.515 1.00 0.00 C ATOM 0 HA PRO A 38 10.783 12.266 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.178 14.982 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.231 13.991 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.301 16.005 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.443 15.325 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.074 14.652 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.299 13.893 -1.937 1.00 0.00 H new ATOM 557 N LYS A 39 12.736 13.489 -1.273 1.00 0.00 N ATOM 558 CA LYS A 39 13.837 13.708 -0.350 1.00 0.00 C ATOM 559 C LYS A 39 13.988 15.208 -0.090 1.00 0.00 C ATOM 560 O LYS A 39 14.990 15.647 0.473 1.00 0.00 O ATOM 561 CB LYS A 39 15.112 13.043 -0.871 1.00 0.00 C ATOM 562 CG LYS A 39 14.822 11.635 -1.395 1.00 0.00 C ATOM 563 CD LYS A 39 14.934 10.599 -0.275 1.00 0.00 C ATOM 564 CE LYS A 39 14.616 9.195 -0.793 1.00 0.00 C ATOM 565 NZ LYS A 39 15.840 8.543 -1.309 1.00 0.00 N ATOM 0 H LYS A 39 13.008 13.427 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 39 13.629 13.237 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.543 13.649 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.852 12.992 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.822 11.603 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.522 11.389 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.941 10.617 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.249 10.856 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.187 8.594 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.867 9.253 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.606 7.591 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.233 9.109 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.543 8.470 -0.546 1.00 0.00 H new ATOM 579 N HIS A 40 12.978 15.955 -0.513 1.00 0.00 N ATOM 580 CA HIS A 40 12.986 17.396 -0.333 1.00 0.00 C ATOM 581 C HIS A 40 11.878 17.798 0.642 1.00 0.00 C ATOM 582 O HIS A 40 11.746 18.971 0.989 1.00 0.00 O ATOM 583 CB HIS A 40 12.879 18.113 -1.681 1.00 0.00 C ATOM 584 CG HIS A 40 11.508 18.038 -2.309 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.238 17.276 -3.431 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.334 18.638 -1.959 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.956 17.418 -3.735 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.398 18.263 -2.822 1.00 0.00 N ATOM 0 H HIS A 40 12.149 15.588 -0.980 1.00 0.00 H new ATOM 0 HA HIS A 40 13.936 17.706 0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.149 19.160 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.607 17.682 -2.369 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.911 16.702 -3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.191 19.305 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.443 16.947 -4.561 1.00 0.00 H new ATOM 596 N VAL A 41 11.108 16.802 1.056 1.00 0.00 N ATOM 597 CA VAL A 41 10.015 17.037 1.983 1.00 0.00 C ATOM 598 C VAL A 41 10.430 16.573 3.381 1.00 0.00 C ATOM 599 O VAL A 41 10.568 15.376 3.627 1.00 0.00 O ATOM 600 CB VAL A 41 8.744 16.351 1.479 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.711 16.216 2.600 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.157 17.098 0.279 1.00 0.00 C ATOM 0 H VAL A 41 11.220 15.831 0.766 1.00 0.00 H new ATOM 0 HA VAL A 41 9.790 18.102 2.046 1.00 0.00 H new ATOM 0 HB VAL A 41 9.013 15.347 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.818 15.725 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.130 15.621 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.448 17.206 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.254 16.590 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.911 18.119 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.887 17.118 -0.530 1.00 0.00 H new ATOM 612 N VAL A 42 10.616 17.546 4.262 1.00 0.00 N ATOM 613 CA VAL A 42 11.012 17.253 5.628 1.00 0.00 C ATOM 614 C VAL A 42 10.082 17.991 6.594 1.00 0.00 C ATOM 615 O VAL A 42 9.671 17.436 7.612 1.00 0.00 O ATOM 616 CB VAL A 42 12.487 17.604 5.833 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.392 16.643 5.059 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.764 19.056 5.438 1.00 0.00 C ATOM 0 H VAL A 42 10.499 18.538 4.055 1.00 0.00 H new ATOM 0 HA VAL A 42 10.914 16.187 5.833 1.00 0.00 H new ATOM 0 HB VAL A 42 12.713 17.496 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.435 16.915 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.224 15.624 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.163 16.705 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.819 19.280 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.513 19.202 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.158 19.722 6.052 1.00 0.00 H new ATOM 628 N LYS A 43 9.778 19.231 6.240 1.00 0.00 N ATOM 629 CA LYS A 43 8.904 20.050 7.062 1.00 0.00 C ATOM 630 C LYS A 43 7.449 19.654 6.805 1.00 0.00 C ATOM 631 O LYS A 43 7.094 19.268 5.692 1.00 0.00 O ATOM 632 CB LYS A 43 9.187 21.536 6.829 1.00 0.00 C ATOM 633 CG LYS A 43 10.158 22.081 7.878 1.00 0.00 C ATOM 634 CD LYS A 43 10.704 23.448 7.462 1.00 0.00 C ATOM 635 CE LYS A 43 12.228 23.415 7.338 1.00 0.00 C ATOM 636 NZ LYS A 43 12.802 24.746 7.640 1.00 0.00 N ATOM 0 H LYS A 43 10.121 19.688 5.395 1.00 0.00 H new ATOM 0 HA LYS A 43 9.100 19.873 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.605 21.678 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.254 22.098 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.651 22.165 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.983 21.382 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.264 23.745 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.411 24.199 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.638 22.672 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.510 23.111 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.837 24.706 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.424 25.447 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.548 25.021 8.610 1.00 0.00 H new ATOM 650 N GLY A 44 6.645 19.762 7.853 1.00 0.00 N ATOM 651 CA GLY A 44 5.237 19.420 7.755 1.00 0.00 C ATOM 652 C GLY A 44 4.454 20.520 7.036 1.00 0.00 C ATOM 653 O GLY A 44 3.328 20.298 6.593 1.00 0.00 O ATOM 0 H GLY A 44 6.943 20.082 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.124 18.478 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.826 19.269 8.753 1.00 0.00 H new ATOM 657 N LYS A 45 5.081 21.683 6.941 1.00 0.00 N ATOM 658 CA LYS A 45 4.457 22.818 6.282 1.00 0.00 C ATOM 659 C LYS A 45 4.556 22.641 4.766 1.00 0.00 C ATOM 660 O LYS A 45 3.883 23.340 4.010 1.00 0.00 O ATOM 661 CB LYS A 45 5.062 24.130 6.789 1.00 0.00 C ATOM 662 CG LYS A 45 6.472 24.334 6.232 1.00 0.00 C ATOM 663 CD LYS A 45 6.733 25.811 5.929 1.00 0.00 C ATOM 664 CE LYS A 45 7.694 25.967 4.749 1.00 0.00 C ATOM 665 NZ LYS A 45 8.801 26.886 5.100 1.00 0.00 N ATOM 0 H LYS A 45 6.015 21.864 7.309 1.00 0.00 H new ATOM 0 HA LYS A 45 3.396 22.866 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.426 24.965 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.095 24.123 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.207 23.971 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.597 23.745 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.791 26.312 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.151 26.298 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.097 24.994 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.156 26.351 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.444 26.981 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.413 27.819 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.324 26.504 5.914 1.00 0.00 H new ATOM 679 N GLN A 46 5.400 21.701 4.366 1.00 0.00 N ATOM 680 CA GLN A 46 5.596 21.423 2.954 1.00 0.00 C ATOM 681 C GLN A 46 4.469 20.532 2.427 1.00 0.00 C ATOM 682 O GLN A 46 4.280 20.414 1.217 1.00 0.00 O ATOM 683 CB GLN A 46 6.963 20.782 2.705 1.00 0.00 C ATOM 684 CG GLN A 46 8.092 21.694 3.188 1.00 0.00 C ATOM 685 CD GLN A 46 9.257 21.698 2.196 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.940 22.691 2.004 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.444 20.536 1.577 1.00 0.00 N ATOM 0 H GLN A 46 5.956 21.122 4.996 1.00 0.00 H new ATOM 0 HA GLN A 46 5.570 22.368 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.019 19.824 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.085 20.579 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.715 22.709 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.442 21.359 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.836 19.744 1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.196 20.437 0.895 1.00 0.00 H new ATOM 696 N VAL A 47 3.750 19.928 3.361 1.00 0.00 N ATOM 697 CA VAL A 47 2.646 19.052 3.007 1.00 0.00 C ATOM 698 C VAL A 47 1.371 19.540 3.696 1.00 0.00 C ATOM 699 O VAL A 47 1.416 20.014 4.830 1.00 0.00 O ATOM 700 CB VAL A 47 2.996 17.603 3.354 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.653 16.898 2.166 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.891 17.537 4.594 1.00 0.00 C ATOM 0 H VAL A 47 3.910 20.028 4.363 1.00 0.00 H new ATOM 0 HA VAL A 47 2.466 19.081 1.932 1.00 0.00 H new ATOM 0 HB VAL A 47 2.068 17.080 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.892 15.870 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.968 16.898 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.569 17.422 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.125 16.496 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.815 18.084 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.372 17.984 5.442 1.00 0.00 H new ATOM 712 N SER A 48 0.263 19.408 2.981 1.00 0.00 N ATOM 713 CA SER A 48 -1.023 19.830 3.510 1.00 0.00 C ATOM 714 C SER A 48 -1.852 18.608 3.910 1.00 0.00 C ATOM 715 O SER A 48 -1.886 17.613 3.187 1.00 0.00 O ATOM 716 CB SER A 48 -1.786 20.678 2.490 1.00 0.00 C ATOM 717 OG SER A 48 -0.929 21.584 1.801 1.00 0.00 O ATOM 0 H SER A 48 0.229 19.015 2.040 1.00 0.00 H new ATOM 0 HA SER A 48 -0.845 20.444 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.276 20.024 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.571 21.237 2.999 1.00 0.00 H new ATOM 0 HG SER A 48 -1.453 22.105 1.158 1.00 0.00 H new ATOM 723 N VAL A 49 -2.499 18.722 5.060 1.00 0.00 N ATOM 724 CA VAL A 49 -3.325 17.638 5.564 1.00 0.00 C ATOM 725 C VAL A 49 -4.664 18.203 6.042 1.00 0.00 C ATOM 726 O VAL A 49 -4.742 18.807 7.111 1.00 0.00 O ATOM 727 CB VAL A 49 -2.575 16.874 6.657 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.513 15.924 7.404 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.379 16.117 6.075 1.00 0.00 C ATOM 0 H VAL A 49 -2.468 19.548 5.657 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.539 16.920 4.772 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.195 17.602 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.955 15.393 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.317 16.496 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.936 15.205 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.863 15.583 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.728 15.404 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.692 16.824 5.609 1.00 0.00 H new ATOM 739 N ALA A 50 -5.686 17.987 5.226 1.00 0.00 N ATOM 740 CA ALA A 50 -7.018 18.467 5.552 1.00 0.00 C ATOM 741 C ALA A 50 -7.906 17.279 5.926 1.00 0.00 C ATOM 742 O ALA A 50 -8.220 16.443 5.081 1.00 0.00 O ATOM 743 CB ALA A 50 -7.577 19.263 4.371 1.00 0.00 C ATOM 0 H ALA A 50 -5.618 17.486 4.340 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.985 19.137 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.576 19.623 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.926 20.112 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.628 18.621 3.491 1.00 0.00 H new ATOM 749 N LEU A 51 -8.287 17.242 7.195 1.00 0.00 N ATOM 750 CA LEU A 51 -9.132 16.170 7.692 1.00 0.00 C ATOM 751 C LEU A 51 -10.505 16.738 8.059 1.00 0.00 C ATOM 752 O LEU A 51 -10.597 17.801 8.672 1.00 0.00 O ATOM 753 CB LEU A 51 -8.444 15.434 8.843 1.00 0.00 C ATOM 754 CG LEU A 51 -7.216 14.602 8.467 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.400 14.237 9.709 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.618 13.364 7.661 1.00 0.00 C ATOM 0 H LEU A 51 -8.026 17.938 7.894 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.292 15.421 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.146 16.168 9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.174 14.776 9.315 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.575 15.209 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.533 13.646 9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.066 15.148 10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.019 13.657 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.727 12.790 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.290 12.745 8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.123 13.674 6.746 1.00 0.00 H new ATOM 768 N SER A 52 -11.537 16.005 7.669 1.00 0.00 N ATOM 769 CA SER A 52 -12.900 16.422 7.950 1.00 0.00 C ATOM 770 C SER A 52 -13.664 15.288 8.637 1.00 0.00 C ATOM 771 O SER A 52 -13.981 15.378 9.822 1.00 0.00 O ATOM 772 CB SER A 52 -13.621 16.846 6.669 1.00 0.00 C ATOM 773 OG SER A 52 -12.911 17.864 5.969 1.00 0.00 O ATOM 0 H SER A 52 -11.457 15.124 7.160 1.00 0.00 H new ATOM 0 HA SER A 52 -12.863 17.283 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.746 15.979 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.620 17.206 6.917 1.00 0.00 H new ATOM 0 HG SER A 52 -13.403 18.106 5.156 1.00 0.00 H new ATOM 779 N SER A 53 -13.936 14.247 7.864 1.00 0.00 N ATOM 780 CA SER A 53 -14.656 13.097 8.384 1.00 0.00 C ATOM 781 C SER A 53 -14.847 12.056 7.279 1.00 0.00 C ATOM 782 O SER A 53 -14.575 10.873 7.481 1.00 0.00 O ATOM 783 CB SER A 53 -16.010 13.511 8.963 1.00 0.00 C ATOM 784 OG SER A 53 -16.885 14.024 7.962 1.00 0.00 O ATOM 0 H SER A 53 -13.671 14.176 6.882 1.00 0.00 H new ATOM 0 HA SER A 53 -14.066 12.659 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.476 12.652 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.859 14.267 9.734 1.00 0.00 H new ATOM 0 HG SER A 53 -17.739 14.275 8.372 1.00 0.00 H new ATOM 790 N SER A 54 -15.313 12.533 6.134 1.00 0.00 N ATOM 791 CA SER A 54 -15.543 11.659 4.997 1.00 0.00 C ATOM 792 C SER A 54 -14.682 12.102 3.813 1.00 0.00 C ATOM 793 O SER A 54 -15.077 11.942 2.659 1.00 0.00 O ATOM 794 CB SER A 54 -17.021 11.646 4.603 1.00 0.00 C ATOM 795 OG SER A 54 -17.341 12.695 3.693 1.00 0.00 O ATOM 0 H SER A 54 -15.538 13.514 5.970 1.00 0.00 H new ATOM 0 HA SER A 54 -15.262 10.645 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.267 10.686 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.636 11.743 5.498 1.00 0.00 H new ATOM 0 HG SER A 54 -16.893 12.533 2.836 1.00 0.00 H new ATOM 801 N SER A 55 -13.521 12.652 4.139 1.00 0.00 N ATOM 802 CA SER A 55 -12.601 13.120 3.117 1.00 0.00 C ATOM 803 C SER A 55 -11.201 13.288 3.710 1.00 0.00 C ATOM 804 O SER A 55 -11.013 13.144 4.917 1.00 0.00 O ATOM 805 CB SER A 55 -13.080 14.438 2.506 1.00 0.00 C ATOM 806 OG SER A 55 -12.162 14.944 1.541 1.00 0.00 O ATOM 0 H SER A 55 -13.197 12.784 5.097 1.00 0.00 H new ATOM 0 HA SER A 55 -12.565 12.374 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.053 14.288 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.218 15.175 3.297 1.00 0.00 H new ATOM 0 HG SER A 55 -12.505 15.785 1.173 1.00 0.00 H new ATOM 812 N ILE A 56 -10.254 13.589 2.834 1.00 0.00 N ATOM 813 CA ILE A 56 -8.876 13.778 3.256 1.00 0.00 C ATOM 814 C ILE A 56 -8.094 14.467 2.136 1.00 0.00 C ATOM 815 O ILE A 56 -8.476 14.390 0.969 1.00 0.00 O ATOM 816 CB ILE A 56 -8.266 12.449 3.704 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.937 12.672 4.428 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.122 11.486 2.524 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.800 12.897 3.428 1.00 0.00 C ATOM 0 H ILE A 56 -10.413 13.707 1.833 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.831 14.433 4.126 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.947 11.984 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.020 13.534 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.710 11.809 5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.686 10.549 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.103 11.291 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.474 11.931 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.866 13.053 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.705 12.024 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.019 13.775 2.820 1.00 0.00 H new ATOM 831 N ARG A 57 -7.014 15.125 2.530 1.00 0.00 N ATOM 832 CA ARG A 57 -6.175 15.827 1.574 1.00 0.00 C ATOM 833 C ARG A 57 -4.697 15.609 1.905 1.00 0.00 C ATOM 834 O ARG A 57 -4.281 15.781 3.050 1.00 0.00 O ATOM 835 CB ARG A 57 -6.474 17.327 1.575 1.00 0.00 C ATOM 836 CG ARG A 57 -6.110 17.960 0.231 1.00 0.00 C ATOM 837 CD ARG A 57 -6.146 19.487 0.316 1.00 0.00 C ATOM 838 NE ARG A 57 -4.824 20.046 -0.044 1.00 0.00 N ATOM 839 CZ ARG A 57 -4.636 21.285 -0.518 1.00 0.00 C ATOM 840 NH1 ARG A 57 -5.684 22.102 -0.693 1.00 0.00 N ATOM 841 NH2 ARG A 57 -3.400 21.707 -0.818 1.00 0.00 N ATOM 0 H ARG A 57 -6.700 15.187 3.499 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.393 15.425 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.531 17.490 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.913 17.813 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.115 17.633 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.805 17.618 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.910 19.879 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.418 19.797 1.325 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.004 19.451 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.625 21.781 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.541 23.045 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.603 21.085 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.257 22.650 -1.179 1.00 0.00 H new ATOM 855 N VAL A 58 -3.943 15.233 0.882 1.00 0.00 N ATOM 856 CA VAL A 58 -2.521 14.990 1.049 1.00 0.00 C ATOM 857 C VAL A 58 -1.759 15.616 -0.121 1.00 0.00 C ATOM 858 O VAL A 58 -1.657 15.017 -1.191 1.00 0.00 O ATOM 859 CB VAL A 58 -2.260 13.490 1.198 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.806 13.222 1.593 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.226 12.863 2.205 1.00 0.00 C ATOM 0 H VAL A 58 -4.291 15.091 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.158 15.462 1.962 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.435 13.022 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.648 12.148 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.141 13.617 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.592 13.710 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.019 11.796 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.097 13.338 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.251 13.007 1.864 1.00 0.00 H new ATOM 871 N ALA A 59 -1.244 16.812 0.121 1.00 0.00 N ATOM 872 CA ALA A 59 -0.495 17.525 -0.899 1.00 0.00 C ATOM 873 C ALA A 59 0.918 17.806 -0.386 1.00 0.00 C ATOM 874 O ALA A 59 1.157 17.797 0.821 1.00 0.00 O ATOM 875 CB ALA A 59 -1.242 18.805 -1.280 1.00 0.00 C ATOM 0 H ALA A 59 -1.331 17.306 1.009 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.404 16.920 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.680 19.340 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.229 18.549 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.350 19.439 -0.400 1.00 0.00 H new ATOM 881 N MET A 60 1.818 18.049 -1.327 1.00 0.00 N ATOM 882 CA MET A 60 3.202 18.332 -0.985 1.00 0.00 C ATOM 883 C MET A 60 3.763 19.456 -1.858 1.00 0.00 C ATOM 884 O MET A 60 3.430 19.557 -3.037 1.00 0.00 O ATOM 885 CB MET A 60 4.044 17.069 -1.175 1.00 0.00 C ATOM 886 CG MET A 60 3.933 16.547 -2.609 1.00 0.00 C ATOM 887 SD MET A 60 5.545 16.076 -3.214 1.00 0.00 S ATOM 888 CE MET A 60 6.418 17.618 -3.003 1.00 0.00 C ATOM 0 H MET A 60 1.616 18.056 -2.327 1.00 0.00 H new ATOM 0 HA MET A 60 3.241 18.652 0.056 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.087 17.284 -0.942 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.714 16.299 -0.477 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.259 15.691 -2.642 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.504 17.315 -3.252 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.187 17.709 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.717 18.448 -3.092 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.884 17.640 -2.018 1.00 0.00 H new ATOM 898 N LEU A 61 4.607 20.273 -1.244 1.00 0.00 N ATOM 899 CA LEU A 61 5.218 21.387 -1.950 1.00 0.00 C ATOM 900 C LEU A 61 6.338 20.861 -2.850 1.00 0.00 C ATOM 901 O LEU A 61 7.168 20.066 -2.413 1.00 0.00 O ATOM 902 CB LEU A 61 5.676 22.461 -0.962 1.00 0.00 C ATOM 903 CG LEU A 61 4.567 23.176 -0.187 1.00 0.00 C ATOM 904 CD1 LEU A 61 5.073 24.495 0.402 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.328 23.377 -1.062 1.00 0.00 C ATOM 0 H LEU A 61 4.882 20.186 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 61 4.489 21.874 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.355 22.001 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.250 23.209 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 61 4.271 22.542 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.266 24.983 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.902 24.296 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.413 25.147 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.555 23.887 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.591 23.980 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.954 22.408 -1.392 1.00 0.00 H new ATOM 917 N GLU A 62 6.325 21.326 -4.090 1.00 0.00 N ATOM 918 CA GLU A 62 7.329 20.913 -5.055 1.00 0.00 C ATOM 919 C GLU A 62 8.444 21.957 -5.141 1.00 0.00 C ATOM 920 O GLU A 62 9.576 21.696 -4.737 1.00 0.00 O ATOM 921 CB GLU A 62 6.701 20.667 -6.429 1.00 0.00 C ATOM 922 CG GLU A 62 6.001 19.308 -6.476 1.00 0.00 C ATOM 923 CD GLU A 62 6.936 18.229 -7.026 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.626 18.531 -8.024 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.939 17.126 -6.437 1.00 0.00 O ATOM 0 H GLU A 62 5.634 21.985 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 62 7.764 19.972 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.984 21.457 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.472 20.710 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.669 19.031 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.110 19.375 -7.100 1.00 0.00 H new ATOM 932 N GLU A 63 8.085 23.118 -5.670 1.00 0.00 N ATOM 933 CA GLU A 63 9.041 24.202 -5.814 1.00 0.00 C ATOM 934 C GLU A 63 8.313 25.518 -6.096 1.00 0.00 C ATOM 935 O GLU A 63 8.292 26.413 -5.253 1.00 0.00 O ATOM 936 CB GLU A 63 10.060 23.893 -6.912 1.00 0.00 C ATOM 937 CG GLU A 63 11.486 24.165 -6.430 1.00 0.00 C ATOM 938 CD GLU A 63 12.328 24.800 -7.539 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.430 24.163 -8.610 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.852 25.907 -7.290 1.00 0.00 O ATOM 0 H GLU A 63 7.145 23.331 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 63 9.587 24.305 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.968 22.850 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.848 24.501 -7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.461 24.826 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.948 23.233 -6.106 1.00 0.00 H new ATOM 947 N ASN A 64 7.734 25.593 -7.285 1.00 0.00 N ATOM 948 CA ASN A 64 7.007 26.785 -7.689 1.00 0.00 C ATOM 949 C ASN A 64 5.539 26.643 -7.284 1.00 0.00 C ATOM 950 O ASN A 64 4.766 27.593 -7.393 1.00 0.00 O ATOM 951 CB ASN A 64 7.062 26.975 -9.206 1.00 0.00 C ATOM 952 CG ASN A 64 7.802 28.264 -9.570 1.00 0.00 C ATOM 953 OD1 ASN A 64 8.272 29.002 -8.720 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.878 28.493 -10.878 1.00 0.00 N ATOM 0 H ASN A 64 7.753 24.848 -7.982 1.00 0.00 H new ATOM 0 HA ASN A 64 7.468 27.643 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.562 26.122 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.050 27.006 -9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.352 29.328 -11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.463 27.834 -11.536 1.00 0.00 H new ATOM 961 N GLY A 65 5.198 25.448 -6.823 1.00 0.00 N ATOM 962 CA GLY A 65 3.836 25.169 -6.401 1.00 0.00 C ATOM 963 C GLY A 65 3.784 23.936 -5.496 1.00 0.00 C ATOM 964 O GLY A 65 4.614 23.784 -4.600 1.00 0.00 O ATOM 0 H GLY A 65 5.842 24.662 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.432 26.031 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.206 25.009 -7.276 1.00 0.00 H new ATOM 968 N GLU A 66 2.801 23.089 -5.760 1.00 0.00 N ATOM 969 CA GLU A 66 2.630 21.874 -4.981 1.00 0.00 C ATOM 970 C GLU A 66 1.845 20.835 -5.784 1.00 0.00 C ATOM 971 O GLU A 66 1.497 21.071 -6.939 1.00 0.00 O ATOM 972 CB GLU A 66 1.942 22.171 -3.647 1.00 0.00 C ATOM 973 CG GLU A 66 0.428 22.298 -3.828 1.00 0.00 C ATOM 974 CD GLU A 66 0.083 23.454 -4.768 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.220 24.612 -4.318 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.311 23.154 -5.916 1.00 0.00 O ATOM 0 H GLU A 66 2.114 23.220 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 66 3.616 21.465 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.161 21.375 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.340 23.094 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.027 21.367 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.045 22.459 -2.859 1.00 0.00 H new ATOM 983 N ARG A 67 1.590 19.705 -5.139 1.00 0.00 N ATOM 984 CA ARG A 67 0.853 18.629 -5.779 1.00 0.00 C ATOM 985 C ARG A 67 0.042 17.851 -4.740 1.00 0.00 C ATOM 986 O ARG A 67 0.497 17.650 -3.615 1.00 0.00 O ATOM 987 CB ARG A 67 1.798 17.668 -6.502 1.00 0.00 C ATOM 988 CG ARG A 67 1.028 16.491 -7.105 1.00 0.00 C ATOM 989 CD ARG A 67 1.753 15.932 -8.331 1.00 0.00 C ATOM 990 NE ARG A 67 0.794 15.735 -9.441 1.00 0.00 N ATOM 991 CZ ARG A 67 1.152 15.504 -10.711 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.450 15.440 -11.040 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.213 15.338 -11.652 1.00 0.00 N ATOM 0 H ARG A 67 1.881 19.512 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 67 0.180 19.077 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.331 18.200 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.549 17.297 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.912 15.706 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.026 16.814 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.543 16.616 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.231 14.985 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.202 15.778 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.165 15.567 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.723 15.264 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.774 15.388 -11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.486 15.162 -12.619 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.146 17.434 -5.154 1.00 0.00 N ATOM 1008 CA VAL A 68 -2.024 16.683 -4.274 1.00 0.00 C ATOM 1009 C VAL A 68 -1.762 15.186 -4.455 1.00 0.00 C ATOM 1010 O VAL A 68 -2.289 14.567 -5.378 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.481 17.070 -4.534 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.435 16.198 -3.714 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.713 18.555 -4.248 1.00 0.00 C ATOM 0 H VAL A 68 -1.521 17.602 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.818 16.926 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.691 16.895 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.464 16.494 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.297 15.152 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.224 16.326 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.757 18.804 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.476 18.766 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.072 19.154 -4.894 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.947 14.648 -3.559 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.608 13.236 -3.609 1.00 0.00 C ATOM 1025 C LEU A 69 -1.892 12.406 -3.549 1.00 0.00 C ATOM 1026 O LEU A 69 -2.185 11.642 -4.467 1.00 0.00 O ATOM 1027 CB LEU A 69 0.401 12.888 -2.513 1.00 0.00 C ATOM 1028 CG LEU A 69 1.653 13.766 -2.451 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.538 13.374 -1.266 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.417 13.725 -3.776 1.00 0.00 C ATOM 0 H LEU A 69 -0.512 15.164 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.116 12.995 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.106 12.943 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.714 11.853 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 69 1.340 14.798 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.421 14.013 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.979 13.496 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.845 12.333 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.302 14.357 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.719 12.700 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.775 14.089 -4.578 1.00 0.00 H new ATOM 1042 N MET A 70 -2.623 12.583 -2.458 1.00 0.00 N ATOM 1043 CA MET A 70 -3.869 11.860 -2.266 1.00 0.00 C ATOM 1044 C MET A 70 -4.990 12.806 -1.831 1.00 0.00 C ATOM 1045 O MET A 70 -4.751 13.761 -1.094 1.00 0.00 O ATOM 1046 CB MET A 70 -3.672 10.777 -1.203 1.00 0.00 C ATOM 1047 CG MET A 70 -5.003 10.114 -0.844 1.00 0.00 C ATOM 1048 SD MET A 70 -4.730 8.792 0.324 1.00 0.00 S ATOM 1049 CE MET A 70 -6.414 8.264 0.594 1.00 0.00 C ATOM 0 H MET A 70 -2.376 13.217 -1.698 1.00 0.00 H new ATOM 0 HA MET A 70 -4.153 11.403 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.974 10.025 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.227 11.216 -0.310 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.683 10.852 -0.419 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.479 9.723 -1.744 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.444 7.178 0.688 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.795 8.718 1.509 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.032 8.573 -0.249 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.191 12.506 -2.305 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.350 13.317 -1.974 1.00 0.00 C ATOM 1061 C GLU A 71 -8.618 12.695 -2.561 1.00 0.00 C ATOM 1062 O GLU A 71 -8.572 12.058 -3.613 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.169 14.756 -2.461 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.353 15.630 -2.041 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.569 15.372 -2.933 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.345 15.083 -4.129 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.695 15.469 -2.400 1.00 0.00 O ATOM 0 H GLU A 71 -6.386 11.713 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.452 13.345 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.246 15.168 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.071 14.767 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.610 15.425 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.072 16.682 -2.099 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.721 12.901 -1.857 1.00 0.00 N ATOM 1075 CA GLY A 72 -11.000 12.368 -2.295 1.00 0.00 C ATOM 1076 C GLY A 72 -11.903 12.056 -1.099 1.00 0.00 C ATOM 1077 O GLY A 72 -11.415 11.789 -0.002 1.00 0.00 O ATOM 0 H GLY A 72 -9.756 13.430 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.493 13.087 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.839 11.462 -2.880 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.202 12.101 -1.353 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.178 11.827 -0.311 1.00 0.00 C ATOM 1083 C LYS A 73 -14.106 10.348 0.072 1.00 0.00 C ATOM 1084 O LYS A 73 -14.225 9.474 -0.786 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.571 12.283 -0.748 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.614 13.799 -0.952 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.295 14.492 0.230 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.613 15.139 -0.200 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.401 15.545 0.986 1.00 0.00 N ATOM 0 H LYS A 73 -13.602 12.323 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.948 12.401 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.848 11.780 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.305 11.993 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.600 14.183 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.150 14.031 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.483 13.767 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.631 15.251 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.411 16.009 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.189 14.438 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.293 15.982 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.609 14.708 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.856 16.230 1.547 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.913 10.112 1.361 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.825 8.753 1.868 1.00 0.00 C ATOM 1105 C LEU A 74 -15.169 8.050 1.670 1.00 0.00 C ATOM 1106 O LEU A 74 -16.140 8.671 1.239 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.339 8.753 3.319 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.033 9.502 3.589 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.967 9.983 5.040 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.822 8.647 3.214 1.00 0.00 C ATOM 0 H LEU A 74 -13.815 10.839 2.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.083 8.185 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.120 9.188 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.214 7.719 3.640 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.010 10.388 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.029 10.512 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.802 10.654 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.023 9.125 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.907 9.204 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.827 7.731 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.868 8.396 2.154 1.00 0.00 H new ATOM 1122 N THR A 75 -15.183 6.765 1.992 1.00 0.00 N ATOM 1123 CA THR A 75 -16.392 5.972 1.855 1.00 0.00 C ATOM 1124 C THR A 75 -17.293 6.156 3.078 1.00 0.00 C ATOM 1125 O THR A 75 -18.517 6.162 2.957 1.00 0.00 O ATOM 1126 CB THR A 75 -15.980 4.518 1.617 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.294 4.152 2.811 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.919 4.382 0.522 1.00 0.00 C ATOM 0 H THR A 75 -14.376 6.253 2.348 1.00 0.00 H new ATOM 0 HA THR A 75 -16.985 6.301 1.002 1.00 0.00 H new ATOM 0 HB THR A 75 -16.858 3.931 1.347 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.451 3.709 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.662 3.331 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.311 4.778 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.028 4.941 0.807 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.651 6.300 4.229 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.379 6.483 5.473 1.00 0.00 C ATOM 1138 C HIS A 76 -16.770 7.648 6.257 1.00 0.00 C ATOM 1139 O HIS A 76 -15.772 8.230 5.835 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.415 5.182 6.277 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.598 4.298 5.962 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.874 4.795 5.763 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.685 2.945 5.812 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.684 3.779 5.507 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.945 2.633 5.538 1.00 0.00 N ATOM 0 H HIS A 76 -15.636 6.294 4.326 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.417 6.738 5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.498 4.625 6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.428 5.424 7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.867 2.246 5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.743 3.846 5.309 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.302 1.691 5.377 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.398 7.953 7.383 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.931 9.038 8.229 1.00 0.00 C ATOM 1155 C LYS A 77 -15.877 8.503 9.202 1.00 0.00 C ATOM 1156 O LYS A 77 -15.807 7.299 9.446 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.111 9.726 8.919 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.954 10.509 7.910 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.934 11.443 8.623 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.512 12.475 7.653 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.976 12.302 7.524 1.00 0.00 N ATOM 0 H LYS A 77 -18.226 7.468 7.729 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.449 9.809 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.732 8.980 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.742 10.401 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.301 11.090 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.504 9.815 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.743 10.860 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.426 11.953 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.289 13.481 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.040 12.369 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.352 13.010 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.183 11.348 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.424 12.426 8.455 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.084 9.424 9.730 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.038 9.060 10.670 1.00 0.00 C ATOM 1177 C ILE A 78 -14.031 10.057 11.831 1.00 0.00 C ATOM 1178 O ILE A 78 -14.794 11.022 11.829 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.692 8.941 9.954 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.308 10.262 9.284 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.700 7.776 8.961 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.239 10.998 10.094 1.00 0.00 C ATOM 0 H ILE A 78 -15.145 10.421 9.525 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.235 8.076 11.096 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.927 8.724 10.700 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.938 10.069 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.191 10.893 9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.731 7.714 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.896 6.845 9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.479 7.938 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.985 11.933 9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.621 11.211 11.092 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.348 10.375 10.172 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.161 9.790 12.793 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.045 10.652 13.957 1.00 0.00 C ATOM 1196 C ASN A 79 -11.785 11.510 13.827 1.00 0.00 C ATOM 1197 O ASN A 79 -10.743 11.178 14.390 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.927 9.830 15.242 1.00 0.00 C ATOM 1199 CG ASN A 79 -14.308 9.434 15.769 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -15.209 10.247 15.895 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.422 8.143 16.069 1.00 0.00 N ATOM 0 H ASN A 79 -12.530 8.989 12.791 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.940 11.273 14.007 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.336 8.934 15.052 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.397 10.407 16.000 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.304 7.779 16.429 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.627 7.517 15.939 1.00 0.00 H new ATOM 1208 N THR A 80 -11.922 12.597 13.082 1.00 0.00 N ATOM 1209 CA THR A 80 -10.807 13.505 12.871 1.00 0.00 C ATOM 1210 C THR A 80 -10.113 13.815 14.198 1.00 0.00 C ATOM 1211 O THR A 80 -8.919 14.108 14.225 1.00 0.00 O ATOM 1212 CB THR A 80 -11.340 14.750 12.158 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.609 14.980 12.764 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.672 14.486 10.688 1.00 0.00 C ATOM 0 H THR A 80 -12.788 12.870 12.617 1.00 0.00 H new ATOM 0 HA THR A 80 -10.043 13.053 12.239 1.00 0.00 H new ATOM 0 HB THR A 80 -10.603 15.550 12.226 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.276 15.161 12.069 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.046 15.401 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.773 14.159 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.434 13.709 10.621 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.892 13.740 15.268 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.367 14.008 16.596 1.00 0.00 C ATOM 1224 C GLU A 81 -9.438 12.876 17.039 1.00 0.00 C ATOM 1225 O GLU A 81 -8.313 13.124 17.469 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.501 14.213 17.603 1.00 0.00 C ATOM 1227 CG GLU A 81 -11.087 13.741 18.998 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.868 14.486 20.083 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -13.032 14.093 20.314 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.284 15.430 20.656 1.00 0.00 O ATOM 0 H GLU A 81 -11.882 13.498 15.242 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.789 14.931 16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.775 15.267 17.638 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.385 13.665 17.277 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.262 12.669 19.090 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.018 13.903 19.138 1.00 0.00 H new ATOM 1237 N SER A 82 -9.944 11.658 16.919 1.00 0.00 N ATOM 1238 CA SER A 82 -9.174 10.486 17.302 1.00 0.00 C ATOM 1239 C SER A 82 -8.113 10.188 16.240 1.00 0.00 C ATOM 1240 O SER A 82 -7.137 9.490 16.512 1.00 0.00 O ATOM 1241 CB SER A 82 -10.082 9.271 17.501 1.00 0.00 C ATOM 1242 OG SER A 82 -9.680 8.482 18.618 1.00 0.00 O ATOM 0 H SER A 82 -10.878 11.457 16.562 1.00 0.00 H new ATOM 0 HA SER A 82 -8.681 10.696 18.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.109 9.606 17.644 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.069 8.657 16.600 1.00 0.00 H new ATOM 0 HG SER A 82 -10.285 7.717 18.713 1.00 0.00 H new ATOM 1248 N SER A 83 -8.340 10.731 15.053 1.00 0.00 N ATOM 1249 CA SER A 83 -7.416 10.531 13.950 1.00 0.00 C ATOM 1250 C SER A 83 -6.207 11.455 14.107 1.00 0.00 C ATOM 1251 O SER A 83 -6.265 12.441 14.840 1.00 0.00 O ATOM 1252 CB SER A 83 -8.102 10.779 12.605 1.00 0.00 C ATOM 1253 OG SER A 83 -9.157 9.852 12.365 1.00 0.00 O ATOM 0 H SER A 83 -9.150 11.309 14.831 1.00 0.00 H new ATOM 0 HA SER A 83 -7.079 9.495 13.970 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.499 11.794 12.582 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.366 10.706 11.804 1.00 0.00 H new ATOM 0 HG SER A 83 -9.858 9.973 13.039 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.139 11.103 13.406 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.917 11.888 13.458 1.00 0.00 C ATOM 1261 C LEU A 84 -3.171 11.751 12.130 1.00 0.00 C ATOM 1262 O LEU A 84 -3.625 11.049 11.228 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.080 11.497 14.678 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.095 10.344 14.473 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.673 10.869 14.266 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.175 9.343 15.627 1.00 0.00 C ATOM 0 H LEU A 84 -5.095 10.285 12.799 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.149 12.945 13.586 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.520 12.373 15.006 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.758 11.230 15.489 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.377 9.811 13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.007 10.030 14.123 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.647 11.512 13.386 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.365 11.440 15.142 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.465 8.534 15.457 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.933 9.847 16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.184 8.934 15.685 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.037 12.432 12.052 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.223 12.395 10.849 1.00 0.00 C ATOM 1280 C TRP A 85 0.163 12.941 11.199 1.00 0.00 C ATOM 1281 O TRP A 85 0.280 14.005 11.806 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.896 13.159 9.707 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.432 14.611 9.572 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.938 15.698 10.171 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.343 15.093 8.757 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.256 16.841 9.804 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.256 16.461 8.917 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.540 14.396 7.913 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.700 17.250 8.265 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.489 15.199 7.269 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.590 16.577 7.419 1.00 0.00 C ATOM 0 H TRP A 85 -1.663 13.013 12.802 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.114 11.372 10.489 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.701 12.637 8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.975 13.146 9.861 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.774 15.682 10.855 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.450 17.790 10.125 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.490 13.326 7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.748 18.320 8.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.192 14.713 6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.352 17.126 6.885 1.00 0.00 H new ATOM 1302 N SER A 86 1.178 12.189 10.800 1.00 0.00 N ATOM 1303 CA SER A 86 2.551 12.585 11.064 1.00 0.00 C ATOM 1304 C SER A 86 3.358 12.573 9.764 1.00 0.00 C ATOM 1305 O SER A 86 3.259 11.633 8.977 1.00 0.00 O ATOM 1306 CB SER A 86 3.200 11.665 12.100 1.00 0.00 C ATOM 1307 OG SER A 86 3.387 12.319 13.352 1.00 0.00 O ATOM 0 H SER A 86 1.077 11.308 10.296 1.00 0.00 H new ATOM 0 HA SER A 86 2.543 13.596 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.577 10.782 12.242 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.163 11.319 11.725 1.00 0.00 H new ATOM 0 HG SER A 86 3.802 11.698 13.987 1.00 0.00 H new ATOM 1313 N LEU A 87 4.139 13.628 9.580 1.00 0.00 N ATOM 1314 CA LEU A 87 4.962 13.750 8.389 1.00 0.00 C ATOM 1315 C LEU A 87 6.381 13.273 8.704 1.00 0.00 C ATOM 1316 O LEU A 87 6.903 13.538 9.786 1.00 0.00 O ATOM 1317 CB LEU A 87 4.901 15.177 7.840 1.00 0.00 C ATOM 1318 CG LEU A 87 5.941 15.531 6.775 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.290 15.864 7.415 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.061 14.416 5.734 1.00 0.00 C ATOM 0 H LEU A 87 4.219 14.405 10.236 1.00 0.00 H new ATOM 0 HA LEU A 87 4.579 13.110 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.909 15.341 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.013 15.871 8.673 1.00 0.00 H new ATOM 0 HG LEU A 87 5.603 16.426 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.011 16.112 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.174 16.715 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.647 15.003 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.807 14.693 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.364 13.491 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.098 14.269 5.246 1.00 0.00 H new ATOM 1332 N GLU A 88 6.965 12.577 7.739 1.00 0.00 N ATOM 1333 CA GLU A 88 8.313 12.060 7.900 1.00 0.00 C ATOM 1334 C GLU A 88 9.234 12.632 6.821 1.00 0.00 C ATOM 1335 O GLU A 88 8.878 12.651 5.643 1.00 0.00 O ATOM 1336 CB GLU A 88 8.321 10.530 7.873 1.00 0.00 C ATOM 1337 CG GLU A 88 7.458 9.957 8.999 1.00 0.00 C ATOM 1338 CD GLU A 88 7.931 8.556 9.393 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.161 8.396 9.552 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.052 7.677 9.527 1.00 0.00 O ATOM 0 H GLU A 88 6.529 12.359 6.843 1.00 0.00 H new ATOM 0 HA GLU A 88 8.687 12.375 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.950 10.178 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.344 10.166 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.500 10.616 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.417 9.917 8.680 1.00 0.00 H new ATOM 1347 N PRO A 89 10.429 13.097 7.272 1.00 0.00 N ATOM 1348 CA PRO A 89 11.404 13.668 6.358 1.00 0.00 C ATOM 1349 C PRO A 89 12.097 12.575 5.542 1.00 0.00 C ATOM 1350 O PRO A 89 12.673 11.646 6.106 1.00 0.00 O ATOM 1351 CB PRO A 89 12.363 14.448 7.242 1.00 0.00 C ATOM 1352 CG PRO A 89 12.166 13.908 8.649 1.00 0.00 C ATOM 1353 CD PRO A 89 10.884 13.091 8.659 1.00 0.00 C ATOM 0 HA PRO A 89 10.950 14.321 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.394 14.314 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.151 15.516 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.015 13.290 8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.103 14.726 9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.064 12.076 9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.139 13.531 9.322 1.00 0.00 H new ATOM 1361 N GLY A 90 12.019 12.723 4.228 1.00 0.00 N ATOM 1362 CA GLY A 90 12.632 11.760 3.329 1.00 0.00 C ATOM 1363 C GLY A 90 12.118 10.346 3.607 1.00 0.00 C ATOM 1364 O GLY A 90 12.902 9.402 3.694 1.00 0.00 O ATOM 0 H GLY A 90 11.541 13.495 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.416 12.033 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.715 11.786 3.446 1.00 0.00 H new ATOM 1368 N LYS A 91 10.803 10.244 3.739 1.00 0.00 N ATOM 1369 CA LYS A 91 10.176 8.961 4.005 1.00 0.00 C ATOM 1370 C LYS A 91 8.786 8.935 3.366 1.00 0.00 C ATOM 1371 O LYS A 91 8.657 8.738 2.159 1.00 0.00 O ATOM 1372 CB LYS A 91 10.167 8.670 5.507 1.00 0.00 C ATOM 1373 CG LYS A 91 11.434 7.922 5.928 1.00 0.00 C ATOM 1374 CD LYS A 91 11.107 6.491 6.361 1.00 0.00 C ATOM 1375 CE LYS A 91 11.834 6.131 7.658 1.00 0.00 C ATOM 1376 NZ LYS A 91 11.863 4.663 7.845 1.00 0.00 N ATOM 0 H LYS A 91 10.155 11.029 3.667 1.00 0.00 H new ATOM 0 HA LYS A 91 10.752 8.155 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.091 9.605 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.289 8.077 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.142 7.902 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.918 8.452 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.031 6.387 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.394 5.794 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.852 6.520 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.334 6.602 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.360 4.436 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.890 4.300 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.360 4.221 7.045 1.00 0.00 H new ATOM 1390 N CYS A 92 7.780 9.138 4.205 1.00 0.00 N ATOM 1391 CA CYS A 92 6.405 9.141 3.737 1.00 0.00 C ATOM 1392 C CYS A 92 5.539 9.831 4.794 1.00 0.00 C ATOM 1393 O CYS A 92 6.021 10.161 5.876 1.00 0.00 O ATOM 1394 CB CYS A 92 5.909 7.727 3.428 1.00 0.00 C ATOM 1395 SG CYS A 92 6.647 6.534 4.604 1.00 0.00 S ATOM 0 H CYS A 92 7.890 9.301 5.206 1.00 0.00 H new ATOM 0 HA CYS A 92 6.339 9.691 2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.822 7.691 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.174 7.455 2.406 1.00 0.00 H new ATOM 0 HG CYS A 92 6.218 5.337 4.334 1.00 0.00 H new ATOM 1401 N VAL A 93 4.277 10.027 4.443 1.00 0.00 N ATOM 1402 CA VAL A 93 3.340 10.671 5.348 1.00 0.00 C ATOM 1403 C VAL A 93 2.471 9.605 6.018 1.00 0.00 C ATOM 1404 O VAL A 93 1.993 8.683 5.358 1.00 0.00 O ATOM 1405 CB VAL A 93 2.522 11.722 4.593 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.303 12.156 5.409 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.389 12.926 4.219 1.00 0.00 C ATOM 0 H VAL A 93 3.881 9.751 3.544 1.00 0.00 H new ATOM 0 HA VAL A 93 3.873 11.200 6.138 1.00 0.00 H new ATOM 0 HB VAL A 93 2.163 11.268 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.739 12.903 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.668 11.291 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.633 12.583 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.784 13.658 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.791 13.380 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.211 12.599 3.582 1.00 0.00 H new ATOM 1417 N LEU A 94 2.291 9.767 7.321 1.00 0.00 N ATOM 1418 CA LEU A 94 1.488 8.830 8.088 1.00 0.00 C ATOM 1419 C LEU A 94 0.141 9.475 8.422 1.00 0.00 C ATOM 1420 O LEU A 94 0.092 10.616 8.878 1.00 0.00 O ATOM 1421 CB LEU A 94 2.259 8.344 9.316 1.00 0.00 C ATOM 1422 CG LEU A 94 1.745 7.056 9.964 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.436 7.306 10.715 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.608 5.938 8.929 1.00 0.00 C ATOM 0 H LEU A 94 2.688 10.533 7.865 1.00 0.00 H new ATOM 0 HA LEU A 94 1.277 7.937 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.300 8.193 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.245 9.135 10.066 1.00 0.00 H new ATOM 0 HG LEU A 94 2.480 6.726 10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.092 6.375 11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.601 8.049 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.319 7.672 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.241 5.034 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.905 6.244 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.580 5.738 8.478 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.918 8.716 8.183 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.261 9.199 8.453 1.00 0.00 C ATOM 1438 C VAL A 95 -3.076 8.084 9.113 1.00 0.00 C ATOM 1439 O VAL A 95 -3.270 7.021 8.526 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.898 9.722 7.164 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.377 10.052 7.379 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.137 10.937 6.631 1.00 0.00 C ATOM 0 H VAL A 95 -0.873 7.770 7.805 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.233 10.037 9.149 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.836 8.933 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.806 10.422 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.909 9.153 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.471 10.816 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.610 11.289 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.153 11.732 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.105 10.657 6.422 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.531 8.366 10.325 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.321 7.401 11.071 1.00 0.00 C ATOM 1454 C ASN A 96 -5.797 7.799 11.010 1.00 0.00 C ATOM 1455 O ASN A 96 -6.139 8.959 11.233 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.901 7.365 12.542 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.876 6.257 12.792 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -3.201 5.155 13.200 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.621 6.611 12.526 1.00 0.00 N ATOM 0 H ASN A 96 -3.368 9.249 10.809 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.161 6.419 10.626 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.478 8.328 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.777 7.204 13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.863 5.942 12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.417 7.551 12.187 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.630 6.815 10.706 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.062 7.049 10.614 1.00 0.00 C ATOM 1468 C LEU A 97 -8.786 6.157 11.623 1.00 0.00 C ATOM 1469 O LEU A 97 -8.714 4.932 11.539 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.542 6.864 9.173 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.041 7.897 8.161 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.818 7.797 6.847 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.087 9.308 8.749 1.00 0.00 C ATOM 0 H LEU A 97 -6.342 5.854 10.520 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.298 8.081 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.236 5.874 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.632 6.880 9.169 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.997 7.677 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.443 8.542 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.689 6.801 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.876 7.977 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.726 10.022 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.113 9.555 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.455 9.353 9.636 1.00 0.00 H new ATOM 1485 N SER A 98 -9.469 6.806 12.555 1.00 0.00 N ATOM 1486 CA SER A 98 -10.206 6.086 13.580 1.00 0.00 C ATOM 1487 C SER A 98 -11.682 5.986 13.189 1.00 0.00 C ATOM 1488 O SER A 98 -12.401 6.984 13.205 1.00 0.00 O ATOM 1489 CB SER A 98 -10.062 6.767 14.942 1.00 0.00 C ATOM 1490 OG SER A 98 -9.374 5.944 15.880 1.00 0.00 O ATOM 0 H SER A 98 -9.527 7.822 12.622 1.00 0.00 H new ATOM 0 HA SER A 98 -9.789 5.082 13.661 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.524 7.708 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.050 7.012 15.331 1.00 0.00 H new ATOM 0 HG SER A 98 -9.301 6.415 16.736 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.091 4.773 12.849 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.468 4.530 12.455 1.00 0.00 C ATOM 1498 C LYS A 99 -14.404 5.021 13.561 1.00 0.00 C ATOM 1499 O LYS A 99 -14.107 4.867 14.745 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.669 3.058 12.088 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.796 2.667 10.894 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.153 1.267 10.389 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.044 0.706 9.497 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.017 -0.772 9.571 1.00 0.00 N ATOM 0 H LYS A 99 -11.492 3.947 12.838 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.712 5.095 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.424 2.429 12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.718 2.878 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.927 3.392 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.745 2.697 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.314 0.601 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.089 1.305 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.204 1.021 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.080 1.109 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.163 -1.079 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.861 -1.110 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.009 -1.168 8.609 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.517 5.602 13.136 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.498 6.116 14.076 1.00 0.00 C ATOM 1520 C VAL A 100 -17.540 5.033 14.363 1.00 0.00 C ATOM 1521 O VAL A 100 -18.735 5.318 14.428 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.113 7.409 13.535 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.047 8.493 13.363 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.854 7.155 12.221 1.00 0.00 C ATOM 0 H VAL A 100 -15.761 5.728 12.154 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.023 6.369 15.024 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.839 7.766 14.265 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.510 9.401 12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.583 8.703 14.327 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.287 8.148 12.662 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.282 8.090 11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.157 6.763 11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.652 6.431 12.387 1.00 0.00 H new ATOM 1534 N GLY A 101 -17.049 3.813 14.526 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.923 2.686 14.805 1.00 0.00 C ATOM 1536 C GLY A 101 -17.496 1.452 14.008 1.00 0.00 C ATOM 1537 O GLY A 101 -16.582 1.523 13.188 1.00 0.00 O ATOM 0 H GLY A 101 -16.057 3.580 14.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.902 2.460 15.871 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.951 2.948 14.555 1.00 0.00 H new ATOM 1541 N GLU A 102 -18.179 0.348 14.276 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.882 -0.900 13.594 1.00 0.00 C ATOM 1543 C GLU A 102 -18.296 -0.813 12.124 1.00 0.00 C ATOM 1544 O GLU A 102 -19.451 -1.068 11.785 1.00 0.00 O ATOM 1545 CB GLU A 102 -18.566 -2.080 14.288 1.00 0.00 C ATOM 1546 CG GLU A 102 -17.716 -2.601 15.449 1.00 0.00 C ATOM 1547 CD GLU A 102 -18.221 -3.962 15.930 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -17.754 -4.974 15.363 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -19.062 -3.961 16.855 1.00 0.00 O ATOM 0 H GLU A 102 -18.937 0.292 14.956 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.806 -1.069 13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.544 -1.772 14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.736 -2.881 13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.676 -2.686 15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.742 -1.887 16.273 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.332 -0.452 11.291 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.582 -0.329 9.865 1.00 0.00 C ATOM 1558 C TYR A 103 -16.542 -1.106 9.056 1.00 0.00 C ATOM 1559 O TYR A 103 -15.434 -1.350 9.533 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.453 1.161 9.541 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.690 1.986 9.904 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.815 1.929 9.107 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.680 2.787 11.028 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.979 2.705 9.448 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.843 3.563 11.369 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.935 3.484 10.562 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.035 4.218 10.884 1.00 0.00 O ATOM 0 H TYR A 103 -16.376 -0.241 11.576 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.564 -0.729 9.612 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.591 1.565 10.072 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.253 1.275 8.476 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.822 1.302 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.799 2.831 11.652 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.866 2.669 8.833 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.849 4.194 12.246 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.861 4.725 11.704 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.934 -1.475 7.845 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.049 -2.219 6.966 1.00 0.00 C ATOM 1579 C TRP A 104 -15.677 -1.312 5.792 1.00 0.00 C ATOM 1580 O TRP A 104 -16.392 -1.258 4.793 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.695 -3.534 6.524 1.00 0.00 C ATOM 1582 CG TRP A 104 -17.869 -3.357 5.558 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.890 -3.576 4.236 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -19.200 -2.914 5.895 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -19.132 -3.307 3.699 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -19.954 -2.891 4.740 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.749 -2.544 7.136 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -21.300 -2.506 4.710 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -21.095 -2.161 7.089 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -21.868 -2.133 5.934 1.00 0.00 C ATOM 0 H TRP A 104 -17.853 -1.272 7.452 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.136 -2.504 7.489 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.938 -4.157 6.049 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.042 -4.071 7.407 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.041 -3.920 3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -19.398 -3.397 2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.178 -2.554 8.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.869 -2.497 3.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.566 -1.867 8.015 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.902 -1.825 5.981 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.557 -0.622 5.951 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.080 0.280 4.916 1.00 0.00 C ATOM 1603 C TRP A 105 -13.531 -0.567 3.766 1.00 0.00 C ATOM 1604 O TRP A 105 -12.330 -0.824 3.699 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.052 1.264 5.478 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.668 2.451 6.221 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.554 2.426 7.226 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.405 3.849 5.976 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.881 3.699 7.644 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.160 4.592 6.860 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.558 4.465 5.038 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -14.143 5.992 6.894 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.552 5.864 5.085 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.306 6.627 5.969 1.00 0.00 C ATOM 0 H TRP A 105 -13.966 -0.669 6.781 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.895 0.896 4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.386 0.730 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.439 1.640 4.659 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.961 1.522 7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.532 3.941 8.391 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.959 3.903 4.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.743 6.552 7.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.917 6.387 4.385 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.246 7.705 5.942 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.437 -0.977 2.891 1.00 0.00 N ATOM 1626 CA ASN A 106 -14.058 -1.790 1.747 1.00 0.00 C ATOM 1627 C ASN A 106 -13.029 -1.031 0.906 1.00 0.00 C ATOM 1628 O ASN A 106 -12.337 -1.626 0.082 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.268 -2.087 0.859 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.685 -0.847 0.066 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.118 -0.516 -0.963 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.705 -0.181 0.601 1.00 0.00 N ATOM 0 H ASN A 106 -15.432 -0.762 2.951 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.645 -2.727 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.029 -2.899 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.101 -2.426 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.058 0.662 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.134 -0.513 1.465 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.962 0.271 1.144 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.029 1.116 0.419 1.00 0.00 C ATOM 1641 C ALA A 107 -11.892 2.456 1.144 1.00 0.00 C ATOM 1642 O ALA A 107 -12.745 2.818 1.953 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.507 1.282 -1.026 1.00 0.00 C ATOM 0 H ALA A 107 -13.538 0.761 1.828 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.041 0.656 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.807 1.916 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.560 0.305 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.494 1.743 -1.032 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.812 3.156 0.829 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.552 4.448 1.441 1.00 0.00 C ATOM 1651 C ILE A 108 -11.485 5.494 0.829 1.00 0.00 C ATOM 1652 O ILE A 108 -12.286 6.106 1.534 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.069 4.805 1.329 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.205 3.817 2.115 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.820 6.252 1.759 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.290 4.089 3.618 1.00 0.00 C ATOM 0 H ILE A 108 -10.107 2.853 0.158 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.768 4.414 2.509 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.777 4.725 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.531 2.798 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.169 3.893 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.758 6.480 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.391 6.925 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.134 6.383 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.667 3.373 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.940 5.100 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.324 3.988 3.948 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.351 5.668 -0.478 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.172 6.630 -1.193 1.00 0.00 C ATOM 1670 C LEU A 109 -13.266 5.887 -1.964 1.00 0.00 C ATOM 1671 O LEU A 109 -13.289 4.658 -1.985 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.301 7.528 -2.074 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.110 8.193 -1.381 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.205 8.892 -2.398 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.577 9.147 -0.280 1.00 0.00 C ATOM 0 H LEU A 109 -10.686 5.159 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.673 7.299 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.926 6.933 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.932 8.309 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.517 7.415 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.366 9.357 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.829 8.161 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.774 9.657 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.710 9.606 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.206 9.924 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.148 8.592 0.464 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.144 6.665 -2.578 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.238 6.097 -3.348 1.00 0.00 C ATOM 1689 C GLU A 110 -14.731 5.605 -4.706 1.00 0.00 C ATOM 1690 O GLU A 110 -13.625 5.947 -5.121 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.372 7.109 -3.521 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.385 6.997 -2.379 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.726 7.618 -2.774 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.060 7.532 -3.976 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.388 8.164 -1.865 1.00 0.00 O ATOM 0 H GLU A 110 -14.121 7.685 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.638 5.244 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.962 8.119 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.873 6.940 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.529 5.949 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.996 7.497 -1.492 1.00 0.00 H new