USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 616 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 Single : A 22 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.197) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.603 K(o=-0.6,f=-4.5!) USER MOD Single : A 33 SER OG : rot 37:sc= 0.0274 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -26:sc= 0.343 USER MOD Single : A 57 SER OG : rot 180:sc= 0.119 USER MOD Single : A 62 SER OG : rot 140:sc= -0.421 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.2!) USER MOD Single : A 74 ASN : amide:sc= -0.689 K(o=-0.69,f=-0.11) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 83 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.079) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -0.721 X(o=-0.72,f=-0.64) USER MOD Single : A 99 THR OG1 : rot -170:sc= -1.34 USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00419) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.633 10.234 7.168 1.00 0.00 N ATOM 272 CA GLU A 21 -6.126 9.258 6.210 1.00 0.00 C ATOM 273 C GLU A 21 -7.271 8.610 5.437 1.00 0.00 C ATOM 274 O GLU A 21 -8.309 8.276 6.009 1.00 0.00 O ATOM 275 CB GLU A 21 -5.309 8.184 6.928 1.00 0.00 C ATOM 276 CG GLU A 21 -3.971 8.684 7.448 1.00 0.00 C ATOM 277 CD GLU A 21 -4.030 9.094 8.907 1.00 0.00 C ATOM 278 OE1 GLU A 21 -4.540 8.300 9.726 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.565 10.207 9.231 1.00 0.00 O ATOM 0 HA GLU A 21 -5.483 9.781 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.891 7.794 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.136 7.353 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.222 7.902 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.647 9.534 6.848 1.00 0.00 H new ATOM 286 N LYS A 22 -7.074 8.436 4.135 1.00 0.00 N ATOM 287 CA LYS A 22 -8.090 7.828 3.282 1.00 0.00 C ATOM 288 C LYS A 22 -7.730 6.383 2.953 1.00 0.00 C ATOM 289 O LYS A 22 -6.737 6.119 2.275 1.00 0.00 O ATOM 290 CB LYS A 22 -8.249 8.632 1.991 1.00 0.00 C ATOM 291 CG LYS A 22 -9.430 8.192 1.142 1.00 0.00 C ATOM 292 CD LYS A 22 -9.708 9.178 0.018 1.00 0.00 C ATOM 293 CE LYS A 22 -10.089 8.465 -1.269 1.00 0.00 C ATOM 294 NZ LYS A 22 -11.209 7.506 -1.061 1.00 0.00 N ATOM 0 H LYS A 22 -6.221 8.707 3.647 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.035 7.834 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.365 9.686 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.336 8.543 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.230 7.207 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.315 8.096 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.513 9.851 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.825 9.793 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.376 9.201 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.222 7.932 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.629 7.258 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.848 6.645 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.933 7.944 -0.456 1.00 0.00 H new ATOM 308 N LYS A 23 -8.544 5.451 3.438 1.00 0.00 N ATOM 309 CA LYS A 23 -8.311 4.032 3.194 1.00 0.00 C ATOM 310 C LYS A 23 -9.085 3.557 1.969 1.00 0.00 C ATOM 311 O LYS A 23 -10.229 3.955 1.752 1.00 0.00 O ATOM 312 CB LYS A 23 -8.715 3.210 4.422 1.00 0.00 C ATOM 313 CG LYS A 23 -7.530 2.648 5.192 1.00 0.00 C ATOM 314 CD LYS A 23 -7.400 3.289 6.565 1.00 0.00 C ATOM 315 CE LYS A 23 -5.944 3.536 6.929 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.769 4.803 7.690 1.00 0.00 N ATOM 0 H LYS A 23 -9.370 5.652 4.002 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.247 3.889 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.308 3.836 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.355 2.387 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.645 1.570 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.615 2.814 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.945 4.233 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.859 2.644 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.572 2.701 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.344 3.573 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.763 4.934 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.100 5.603 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.321 4.758 8.570 1.00 0.00 H new ATOM 330 N VAL A 24 -8.452 2.704 1.170 1.00 0.00 N ATOM 331 CA VAL A 24 -9.080 2.174 -0.034 1.00 0.00 C ATOM 332 C VAL A 24 -9.182 0.653 0.024 1.00 0.00 C ATOM 333 O VAL A 24 -8.324 -0.057 -0.498 1.00 0.00 O ATOM 334 CB VAL A 24 -8.300 2.575 -1.299 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.072 2.187 -2.550 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.001 4.067 -1.291 1.00 0.00 C ATOM 0 H VAL A 24 -7.504 2.365 1.335 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.081 2.603 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.352 2.037 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.504 2.479 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.230 1.109 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.036 2.695 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.449 4.332 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.937 4.625 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.403 4.313 -0.414 1.00 0.00 H new ATOM 346 N ASN A 25 -10.239 0.160 0.662 1.00 0.00 N ATOM 347 CA ASN A 25 -10.453 -1.277 0.788 1.00 0.00 C ATOM 348 C ASN A 25 -10.819 -1.892 -0.559 1.00 0.00 C ATOM 349 O ASN A 25 -11.905 -1.653 -1.088 1.00 0.00 O ATOM 350 CB ASN A 25 -11.556 -1.561 1.809 1.00 0.00 C ATOM 351 CG ASN A 25 -11.275 -0.922 3.155 1.00 0.00 C ATOM 352 OD1 ASN A 25 -10.419 -0.046 3.273 1.00 0.00 O ATOM 353 ND2 ASN A 25 -11.997 -1.360 4.180 1.00 0.00 N ATOM 0 H ASN A 25 -10.960 0.734 1.099 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.523 -1.730 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.507 -1.191 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.661 -2.638 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.852 -0.968 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.697 -2.088 4.037 1.00 0.00 H new ATOM 360 N LEU A 26 -9.905 -2.685 -1.109 1.00 0.00 N ATOM 361 CA LEU A 26 -10.130 -3.336 -2.393 1.00 0.00 C ATOM 362 C LEU A 26 -10.110 -4.854 -2.244 1.00 0.00 C ATOM 363 O LEU A 26 -9.161 -5.423 -1.706 1.00 0.00 O ATOM 364 CB LEU A 26 -9.067 -2.898 -3.403 1.00 0.00 C ATOM 365 CG LEU A 26 -9.175 -1.444 -3.868 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.114 -1.137 -4.913 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.566 -1.166 -4.419 1.00 0.00 C ATOM 0 H LEU A 26 -9.001 -2.892 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.113 -3.037 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.083 -3.050 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.127 -3.548 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.007 -0.793 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.207 -0.099 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.125 -1.298 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.249 -1.794 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.627 -0.128 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.760 -1.825 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.308 -1.346 -3.641 1.00 0.00 H new ATOM 379 N VAL A 27 -11.165 -5.504 -2.724 1.00 0.00 N ATOM 380 CA VAL A 27 -11.269 -6.956 -2.643 1.00 0.00 C ATOM 381 C VAL A 27 -10.994 -7.603 -3.996 1.00 0.00 C ATOM 382 O VAL A 27 -11.906 -7.793 -4.801 1.00 0.00 O ATOM 383 CB VAL A 27 -12.662 -7.394 -2.149 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.701 -8.899 -1.923 1.00 0.00 C ATOM 385 CG2 VAL A 27 -13.039 -6.648 -0.878 1.00 0.00 C ATOM 0 H VAL A 27 -11.960 -5.048 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.518 -7.287 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.393 -7.146 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.692 -9.189 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.480 -9.413 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.958 -9.174 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.025 -6.971 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.306 -6.861 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.056 -5.576 -1.077 1.00 0.00 H new ATOM 395 N LEU A 28 -9.732 -7.936 -4.240 1.00 0.00 N ATOM 396 CA LEU A 28 -9.335 -8.561 -5.497 1.00 0.00 C ATOM 397 C LEU A 28 -9.918 -9.966 -5.614 1.00 0.00 C ATOM 398 O LEU A 28 -10.649 -10.421 -4.734 1.00 0.00 O ATOM 399 CB LEU A 28 -7.810 -8.619 -5.604 1.00 0.00 C ATOM 400 CG LEU A 28 -7.111 -7.259 -5.619 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.610 -7.428 -5.438 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.414 -6.519 -6.915 1.00 0.00 C ATOM 0 H LEU A 28 -8.966 -7.784 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.726 -7.955 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.424 -9.200 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.545 -9.157 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.492 -6.666 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.129 -6.450 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.411 -7.917 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.212 -8.039 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.909 -5.553 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.061 -7.108 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.489 -6.365 -7.003 1.00 0.00 H new ATOM 464 N SER A 33 -5.129 -7.806 -9.752 1.00 0.00 N ATOM 465 CA SER A 33 -4.260 -6.670 -10.035 1.00 0.00 C ATOM 466 C SER A 33 -4.981 -5.353 -9.769 1.00 0.00 C ATOM 467 O SER A 33 -6.210 -5.289 -9.801 1.00 0.00 O ATOM 468 CB SER A 33 -3.780 -6.717 -11.488 1.00 0.00 C ATOM 469 OG SER A 33 -2.975 -7.859 -11.721 1.00 0.00 O ATOM 0 HA SER A 33 -3.397 -6.732 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.640 -6.731 -12.158 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.212 -5.815 -11.716 1.00 0.00 H new ATOM 0 HG SER A 33 -3.329 -8.618 -11.212 1.00 0.00 H new ATOM 475 N LEU A 34 -4.210 -4.304 -9.505 1.00 0.00 N ATOM 476 CA LEU A 34 -4.775 -2.987 -9.233 1.00 0.00 C ATOM 477 C LEU A 34 -4.880 -2.164 -10.512 1.00 0.00 C ATOM 478 O LEU A 34 -5.919 -1.569 -10.796 1.00 0.00 O ATOM 479 CB LEU A 34 -3.921 -2.245 -8.203 1.00 0.00 C ATOM 480 CG LEU A 34 -3.957 -2.831 -6.790 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.670 -2.512 -6.046 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.162 -2.303 -6.026 1.00 0.00 C ATOM 0 H LEU A 34 -3.191 -4.340 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.778 -3.127 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.888 -2.235 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.252 -1.208 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.047 -3.914 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.715 -2.937 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.823 -2.939 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.548 -1.431 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.172 -2.730 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.102 -1.217 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.076 -2.584 -6.549 1.00 0.00 H new ATOM 494 N GLY A 35 -3.797 -2.137 -11.283 1.00 0.00 N ATOM 495 CA GLY A 35 -3.788 -1.386 -12.523 1.00 0.00 C ATOM 496 C GLY A 35 -3.319 0.043 -12.334 1.00 0.00 C ATOM 497 O GLY A 35 -3.745 0.945 -13.056 1.00 0.00 O ATOM 0 H GLY A 35 -2.926 -2.622 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.139 -1.886 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.791 -1.382 -12.949 1.00 0.00 H new ATOM 501 N LEU A 36 -2.439 0.252 -11.360 1.00 0.00 N ATOM 502 CA LEU A 36 -1.911 1.582 -11.078 1.00 0.00 C ATOM 503 C LEU A 36 -0.441 1.679 -11.471 1.00 0.00 C ATOM 504 O LEU A 36 0.310 0.711 -11.347 1.00 0.00 O ATOM 505 CB LEU A 36 -2.078 1.916 -9.595 1.00 0.00 C ATOM 506 CG LEU A 36 -3.494 2.314 -9.175 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.635 2.272 -7.662 1.00 0.00 C ATOM 508 CD2 LEU A 36 -3.837 3.698 -9.706 1.00 0.00 C ATOM 0 H LEU A 36 -2.076 -0.483 -10.753 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.475 2.302 -11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.771 1.051 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.399 2.730 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.194 1.597 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.649 2.558 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.432 1.262 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.925 2.965 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.848 3.966 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.131 4.426 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.778 3.695 -10.794 1.00 0.00 H new ATOM 520 N THR A 37 -0.036 2.853 -11.944 1.00 0.00 N ATOM 521 CA THR A 37 1.345 3.077 -12.355 1.00 0.00 C ATOM 522 C THR A 37 2.089 3.920 -11.325 1.00 0.00 C ATOM 523 O THR A 37 2.283 5.121 -11.513 1.00 0.00 O ATOM 524 CB THR A 37 1.389 3.763 -13.721 1.00 0.00 C ATOM 525 OG1 THR A 37 0.532 3.106 -14.640 1.00 0.00 O ATOM 526 CG2 THR A 37 2.774 3.798 -14.330 1.00 0.00 C ATOM 0 H THR A 37 -0.645 3.664 -12.052 1.00 0.00 H new ATOM 0 HA THR A 37 1.837 2.107 -12.428 1.00 0.00 H new ATOM 0 HB THR A 37 1.064 4.787 -13.540 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.573 3.560 -15.507 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.733 4.298 -15.298 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.449 4.342 -13.669 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.139 2.780 -14.463 1.00 0.00 H new ATOM 534 N ILE A 38 2.505 3.281 -10.235 1.00 0.00 N ATOM 535 CA ILE A 38 3.229 3.973 -9.175 1.00 0.00 C ATOM 536 C ILE A 38 4.646 4.324 -9.614 1.00 0.00 C ATOM 537 O ILE A 38 5.136 3.821 -10.625 1.00 0.00 O ATOM 538 CB ILE A 38 3.297 3.120 -7.894 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.841 1.726 -8.211 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.924 3.025 -7.246 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.508 1.054 -7.030 1.00 0.00 C ATOM 0 H ILE A 38 2.353 2.287 -10.064 1.00 0.00 H new ATOM 0 HA ILE A 38 2.680 4.891 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 38 3.976 3.602 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.023 1.097 -8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.558 1.802 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.989 2.419 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.573 4.024 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.224 2.563 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.870 0.070 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.347 1.662 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.788 0.946 -6.219 1.00 0.00 H new ATOM 553 N ARG A 39 5.300 5.190 -8.848 1.00 0.00 N ATOM 554 CA ARG A 39 6.662 5.609 -9.157 1.00 0.00 C ATOM 555 C ARG A 39 7.448 5.894 -7.881 1.00 0.00 C ATOM 556 O ARG A 39 6.868 6.059 -6.808 1.00 0.00 O ATOM 557 CB ARG A 39 6.646 6.852 -10.048 1.00 0.00 C ATOM 558 CG ARG A 39 5.826 7.999 -9.477 1.00 0.00 C ATOM 559 CD ARG A 39 6.714 9.061 -8.849 1.00 0.00 C ATOM 560 NE ARG A 39 6.224 10.412 -9.117 1.00 0.00 N ATOM 561 CZ ARG A 39 6.173 10.954 -10.332 1.00 0.00 C ATOM 562 NH1 ARG A 39 6.579 10.265 -11.391 1.00 0.00 N ATOM 563 NH2 ARG A 39 5.713 12.188 -10.488 1.00 0.00 N ATOM 0 H ARG A 39 4.909 5.616 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 39 7.153 4.795 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.670 7.191 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.247 6.583 -11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.225 8.447 -10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.132 7.615 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.765 8.901 -7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.728 8.960 -9.235 1.00 0.00 H new ATOM 0 HE ARG A 39 5.903 10.972 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.932 9.315 -11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.538 10.685 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.399 12.721 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.674 12.604 -11.419 1.00 0.00 H new ATOM 577 N GLY A 40 8.770 5.951 -8.007 1.00 0.00 N ATOM 578 CA GLY A 40 9.613 6.217 -6.857 1.00 0.00 C ATOM 579 C GLY A 40 9.908 4.967 -6.051 1.00 0.00 C ATOM 580 O GLY A 40 9.318 3.913 -6.291 1.00 0.00 O ATOM 0 H GLY A 40 9.272 5.818 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.551 6.659 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.126 6.952 -6.216 1.00 0.00 H new ATOM 584 N GLY A 41 10.823 5.084 -5.095 1.00 0.00 N ATOM 585 CA GLY A 41 11.180 3.947 -4.266 1.00 0.00 C ATOM 586 C GLY A 41 12.348 4.246 -3.347 1.00 0.00 C ATOM 587 O GLY A 41 13.024 5.263 -3.501 1.00 0.00 O ATOM 0 H GLY A 41 11.324 5.946 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.318 3.651 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.431 3.100 -4.904 1.00 0.00 H new ATOM 591 N ALA A 42 12.586 3.356 -2.389 1.00 0.00 N ATOM 592 CA ALA A 42 13.680 3.529 -1.441 1.00 0.00 C ATOM 593 C ALA A 42 15.030 3.514 -2.152 1.00 0.00 C ATOM 594 O ALA A 42 15.954 4.231 -1.767 1.00 0.00 O ATOM 595 CB ALA A 42 13.631 2.444 -0.375 1.00 0.00 C ATOM 0 H ALA A 42 12.036 2.508 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 42 13.562 4.500 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.454 2.585 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.683 2.503 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.721 1.466 -0.847 1.00 0.00 H new ATOM 601 N GLU A 43 15.136 2.692 -3.191 1.00 0.00 N ATOM 602 CA GLU A 43 16.373 2.583 -3.956 1.00 0.00 C ATOM 603 C GLU A 43 16.755 3.928 -4.567 1.00 0.00 C ATOM 604 O GLU A 43 17.807 4.485 -4.258 1.00 0.00 O ATOM 605 CB GLU A 43 16.225 1.532 -5.058 1.00 0.00 C ATOM 606 CG GLU A 43 17.552 1.063 -5.633 1.00 0.00 C ATOM 607 CD GLU A 43 17.471 0.763 -7.117 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.440 0.212 -7.556 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.439 1.080 -7.840 1.00 0.00 O ATOM 0 H GLU A 43 14.381 2.092 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 43 17.166 2.275 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.687 0.672 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.615 1.944 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.309 1.828 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.878 0.168 -5.102 1.00 0.00 H new ATOM 616 N TYR A 44 15.890 4.444 -5.435 1.00 0.00 N ATOM 617 CA TYR A 44 16.135 5.724 -6.089 1.00 0.00 C ATOM 618 C TYR A 44 16.215 6.852 -5.065 1.00 0.00 C ATOM 619 O TYR A 44 16.902 7.851 -5.280 1.00 0.00 O ATOM 620 CB TYR A 44 15.031 6.021 -7.106 1.00 0.00 C ATOM 621 CG TYR A 44 15.119 5.181 -8.359 1.00 0.00 C ATOM 622 CD1 TYR A 44 16.243 5.229 -9.174 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.077 4.339 -8.728 1.00 0.00 C ATOM 624 CE1 TYR A 44 16.326 4.463 -10.321 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.153 3.569 -9.873 1.00 0.00 C ATOM 626 CZ TYR A 44 15.280 3.634 -10.666 1.00 0.00 C ATOM 627 OH TYR A 44 15.359 2.869 -11.807 1.00 0.00 O ATOM 0 H TYR A 44 15.014 3.995 -5.701 1.00 0.00 H new ATOM 0 HA TYR A 44 17.091 5.660 -6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 44 14.062 5.856 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 44 15.076 7.075 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 44 17.066 5.876 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.193 4.285 -8.110 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.206 4.514 -10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.334 2.920 -10.146 1.00 0.00 H new ATOM 0 HH TYR A 44 14.539 2.341 -11.904 1.00 0.00 H new ATOM 637 N GLY A 45 15.508 6.686 -3.952 1.00 0.00 N ATOM 638 CA GLY A 45 15.511 7.698 -2.913 1.00 0.00 C ATOM 639 C GLY A 45 14.259 8.554 -2.936 1.00 0.00 C ATOM 640 O GLY A 45 14.281 9.711 -2.517 1.00 0.00 O ATOM 0 H GLY A 45 14.933 5.868 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.600 7.215 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.386 8.336 -3.034 1.00 0.00 H new ATOM 644 N LEU A 46 13.165 7.982 -3.428 1.00 0.00 N ATOM 645 CA LEU A 46 11.897 8.697 -3.505 1.00 0.00 C ATOM 646 C LEU A 46 10.765 7.864 -2.913 1.00 0.00 C ATOM 647 O LEU A 46 10.780 6.635 -2.990 1.00 0.00 O ATOM 648 CB LEU A 46 11.578 9.053 -4.959 1.00 0.00 C ATOM 649 CG LEU A 46 10.224 9.729 -5.180 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.212 11.116 -4.558 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.904 9.806 -6.665 1.00 0.00 C ATOM 0 H LEU A 46 13.131 7.025 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 46 11.989 9.615 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.361 9.711 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.613 8.142 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 46 9.455 9.129 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.241 11.581 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.396 11.036 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.991 11.727 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.937 10.290 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.676 10.384 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.870 8.800 -7.082 1.00 0.00 H new ATOM 663 N GLY A 47 9.785 8.539 -2.322 1.00 0.00 N ATOM 664 CA GLY A 47 8.660 7.844 -1.725 1.00 0.00 C ATOM 665 C GLY A 47 7.857 7.059 -2.744 1.00 0.00 C ATOM 666 O GLY A 47 8.404 6.570 -3.733 1.00 0.00 O ATOM 0 H GLY A 47 9.750 9.556 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.024 7.166 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.009 8.567 -1.233 1.00 0.00 H new ATOM 670 N ILE A 48 6.555 6.940 -2.503 1.00 0.00 N ATOM 671 CA ILE A 48 5.675 6.210 -3.408 1.00 0.00 C ATOM 672 C ILE A 48 4.506 7.080 -3.859 1.00 0.00 C ATOM 673 O ILE A 48 3.758 7.607 -3.037 1.00 0.00 O ATOM 674 CB ILE A 48 5.123 4.933 -2.746 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.257 4.134 -2.102 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.383 4.084 -3.768 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.287 3.640 -3.095 1.00 0.00 C ATOM 0 H ILE A 48 6.087 7.339 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 48 6.274 5.932 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 48 4.420 5.222 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.752 4.757 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.834 3.280 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.999 3.185 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.553 4.656 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.066 3.802 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.061 3.082 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.805 2.991 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.737 4.491 -3.606 1.00 0.00 H new ATOM 689 N TYR A 49 4.356 7.225 -5.171 1.00 0.00 N ATOM 690 CA TYR A 49 3.278 8.030 -5.733 1.00 0.00 C ATOM 691 C TYR A 49 2.513 7.250 -6.798 1.00 0.00 C ATOM 692 O TYR A 49 2.801 6.081 -7.050 1.00 0.00 O ATOM 693 CB TYR A 49 3.837 9.321 -6.334 1.00 0.00 C ATOM 694 CG TYR A 49 4.520 10.216 -5.324 1.00 0.00 C ATOM 695 CD1 TYR A 49 3.778 10.987 -4.438 1.00 0.00 C ATOM 696 CD2 TYR A 49 5.905 10.289 -5.257 1.00 0.00 C ATOM 697 CE1 TYR A 49 4.398 11.806 -3.515 1.00 0.00 C ATOM 698 CE2 TYR A 49 6.532 11.106 -4.335 1.00 0.00 C ATOM 699 CZ TYR A 49 5.774 11.862 -3.467 1.00 0.00 C ATOM 700 OH TYR A 49 6.395 12.676 -2.547 1.00 0.00 O ATOM 0 H TYR A 49 4.967 6.795 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 49 2.589 8.281 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.548 9.067 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.024 9.874 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.699 10.945 -4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.502 9.698 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.807 12.400 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.610 11.152 -4.295 1.00 0.00 H new ATOM 0 HH TYR A 49 7.367 12.598 -2.645 1.00 0.00 H new ATOM 710 N ILE A 50 1.538 7.906 -7.418 1.00 0.00 N ATOM 711 CA ILE A 50 0.732 7.274 -8.456 1.00 0.00 C ATOM 712 C ILE A 50 0.615 8.172 -9.683 1.00 0.00 C ATOM 713 O ILE A 50 0.484 9.390 -9.563 1.00 0.00 O ATOM 714 CB ILE A 50 -0.681 6.937 -7.945 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.601 6.208 -6.602 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.428 6.096 -8.967 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.946 6.030 -5.931 1.00 0.00 C ATOM 0 H ILE A 50 1.287 8.875 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 50 1.240 6.350 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.230 7.867 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.148 5.229 -6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.058 6.763 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.425 5.866 -8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.512 6.650 -9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.884 5.168 -9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.814 5.506 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.392 7.007 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.602 5.449 -6.579 1.00 0.00 H new ATOM 729 N THR A 51 0.664 7.563 -10.863 1.00 0.00 N ATOM 730 CA THR A 51 0.563 8.308 -12.112 1.00 0.00 C ATOM 731 C THR A 51 0.007 7.427 -13.228 1.00 0.00 C ATOM 732 O THR A 51 0.466 7.489 -14.368 1.00 0.00 O ATOM 733 CB THR A 51 1.933 8.858 -12.513 1.00 0.00 C ATOM 734 OG1 THR A 51 2.826 7.803 -12.820 1.00 0.00 O ATOM 735 CG2 THR A 51 2.576 9.705 -11.437 1.00 0.00 C ATOM 0 H THR A 51 0.773 6.556 -10.980 1.00 0.00 H new ATOM 0 HA THR A 51 -0.123 9.140 -11.956 1.00 0.00 H new ATOM 0 HB THR A 51 1.748 9.486 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.552 6.993 -12.342 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.544 10.063 -11.786 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.934 10.556 -11.212 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.714 9.106 -10.537 1.00 0.00 H new ATOM 743 N GLY A 52 -0.984 6.609 -12.889 1.00 0.00 N ATOM 744 CA GLY A 52 -1.586 5.729 -13.874 1.00 0.00 C ATOM 745 C GLY A 52 -2.856 5.076 -13.367 1.00 0.00 C ATOM 746 O GLY A 52 -2.956 4.724 -12.191 1.00 0.00 O ATOM 0 H GLY A 52 -1.380 6.540 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.809 6.297 -14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.870 4.956 -14.152 1.00 0.00 H new ATOM 750 N VAL A 53 -3.830 4.913 -14.257 1.00 0.00 N ATOM 751 CA VAL A 53 -5.102 4.299 -13.894 1.00 0.00 C ATOM 752 C VAL A 53 -5.663 3.477 -15.051 1.00 0.00 C ATOM 753 O VAL A 53 -5.946 4.011 -16.123 1.00 0.00 O ATOM 754 CB VAL A 53 -6.141 5.357 -13.480 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.389 4.692 -12.919 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.544 6.325 -12.470 1.00 0.00 C ATOM 0 H VAL A 53 -3.763 5.197 -15.234 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.906 3.644 -13.045 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.428 5.923 -14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.111 5.457 -12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.828 4.044 -13.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.123 4.098 -12.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.293 7.066 -12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.226 5.776 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.684 6.828 -12.913 1.00 0.00 H new ATOM 766 N ASP A 54 -5.820 2.177 -14.825 1.00 0.00 N ATOM 767 CA ASP A 54 -6.347 1.283 -15.849 1.00 0.00 C ATOM 768 C ASP A 54 -7.847 1.497 -16.041 1.00 0.00 C ATOM 769 O ASP A 54 -8.571 1.764 -15.081 1.00 0.00 O ATOM 770 CB ASP A 54 -6.071 -0.175 -15.473 1.00 0.00 C ATOM 771 CG ASP A 54 -4.865 -0.741 -16.199 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.011 -1.135 -17.375 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.775 -0.788 -15.590 1.00 0.00 O ATOM 0 H ASP A 54 -5.590 1.720 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.844 1.511 -16.789 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.910 -0.246 -14.397 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.948 -0.779 -15.705 1.00 0.00 H new ATOM 778 N PRO A 55 -8.336 1.383 -17.288 1.00 0.00 N ATOM 779 CA PRO A 55 -9.757 1.566 -17.598 1.00 0.00 C ATOM 780 C PRO A 55 -10.606 0.381 -17.149 1.00 0.00 C ATOM 781 O PRO A 55 -10.623 -0.664 -17.798 1.00 0.00 O ATOM 782 CB PRO A 55 -9.770 1.686 -19.121 1.00 0.00 C ATOM 783 CG PRO A 55 -8.585 0.902 -19.568 1.00 0.00 C ATOM 784 CD PRO A 55 -7.545 1.066 -18.494 1.00 0.00 C ATOM 0 HA PRO A 55 -10.181 2.429 -17.083 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.692 1.286 -19.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.700 2.727 -19.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.842 -0.149 -19.704 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.216 1.267 -20.527 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.959 0.156 -18.361 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.843 1.865 -18.734 1.00 0.00 H new ATOM 792 N GLY A 56 -11.311 0.552 -16.035 1.00 0.00 N ATOM 793 CA GLY A 56 -12.152 -0.512 -15.520 1.00 0.00 C ATOM 794 C GLY A 56 -11.425 -1.399 -14.529 1.00 0.00 C ATOM 795 O GLY A 56 -11.668 -2.606 -14.471 1.00 0.00 O ATOM 0 H GLY A 56 -11.315 1.408 -15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.028 -0.077 -15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.513 -1.120 -16.350 1.00 0.00 H new ATOM 799 N SER A 57 -10.531 -0.803 -13.748 1.00 0.00 N ATOM 800 CA SER A 57 -9.767 -1.548 -12.754 1.00 0.00 C ATOM 801 C SER A 57 -10.413 -1.438 -11.377 1.00 0.00 C ATOM 802 O SER A 57 -11.317 -0.630 -11.167 1.00 0.00 O ATOM 803 CB SER A 57 -8.327 -1.033 -12.697 1.00 0.00 C ATOM 804 OG SER A 57 -8.259 0.216 -12.031 1.00 0.00 O ATOM 0 H SER A 57 -10.317 0.194 -13.784 1.00 0.00 H new ATOM 0 HA SER A 57 -9.760 -2.597 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.698 -1.759 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.933 -0.932 -13.708 1.00 0.00 H new ATOM 0 HG SER A 57 -7.329 0.523 -12.006 1.00 0.00 H new ATOM 810 N GLU A 58 -9.944 -2.257 -10.442 1.00 0.00 N ATOM 811 CA GLU A 58 -10.477 -2.253 -9.085 1.00 0.00 C ATOM 812 C GLU A 58 -10.120 -0.957 -8.364 1.00 0.00 C ATOM 813 O GLU A 58 -10.876 -0.478 -7.517 1.00 0.00 O ATOM 814 CB GLU A 58 -9.939 -3.451 -8.299 1.00 0.00 C ATOM 815 CG GLU A 58 -10.495 -4.785 -8.768 1.00 0.00 C ATOM 816 CD GLU A 58 -11.974 -4.937 -8.473 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.366 -4.761 -7.300 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.740 -5.231 -9.414 1.00 0.00 O ATOM 0 H GLU A 58 -9.196 -2.932 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.563 -2.326 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.852 -3.471 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.176 -3.319 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.330 -4.886 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.947 -5.593 -8.284 1.00 0.00 H new ATOM 825 N ALA A 59 -8.967 -0.393 -8.706 1.00 0.00 N ATOM 826 CA ALA A 59 -8.511 0.848 -8.092 1.00 0.00 C ATOM 827 C ALA A 59 -9.321 2.039 -8.594 1.00 0.00 C ATOM 828 O ALA A 59 -9.593 2.977 -7.844 1.00 0.00 O ATOM 829 CB ALA A 59 -7.030 1.060 -8.370 1.00 0.00 C ATOM 0 H ALA A 59 -8.331 -0.776 -9.405 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.660 0.769 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.702 1.990 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.460 0.228 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.866 1.114 -9.446 1.00 0.00 H new ATOM 835 N GLU A 60 -9.705 1.994 -9.865 1.00 0.00 N ATOM 836 CA GLU A 60 -10.485 3.070 -10.465 1.00 0.00 C ATOM 837 C GLU A 60 -11.920 3.055 -9.949 1.00 0.00 C ATOM 838 O GLU A 60 -12.563 4.099 -9.843 1.00 0.00 O ATOM 839 CB GLU A 60 -10.478 2.943 -11.990 1.00 0.00 C ATOM 840 CG GLU A 60 -10.950 4.197 -12.707 1.00 0.00 C ATOM 841 CD GLU A 60 -12.435 4.170 -13.014 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.900 3.174 -13.607 1.00 0.00 O ATOM 843 OE2 GLU A 60 -13.132 5.144 -12.662 1.00 0.00 O ATOM 0 H GLU A 60 -9.489 1.225 -10.499 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.027 4.018 -10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.468 2.703 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.115 2.107 -12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.726 5.069 -12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.393 4.311 -13.637 1.00 0.00 H new ATOM 850 N GLY A 61 -12.417 1.865 -9.630 1.00 0.00 N ATOM 851 CA GLY A 61 -13.772 1.737 -9.127 1.00 0.00 C ATOM 852 C GLY A 61 -13.948 2.371 -7.762 1.00 0.00 C ATOM 853 O GLY A 61 -14.935 3.065 -7.516 1.00 0.00 O ATOM 0 H GLY A 61 -11.905 0.986 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.463 2.201 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.037 0.681 -9.070 1.00 0.00 H new ATOM 857 N SER A 62 -12.990 2.133 -6.873 1.00 0.00 N ATOM 858 CA SER A 62 -13.044 2.686 -5.525 1.00 0.00 C ATOM 859 C SER A 62 -13.070 4.211 -5.562 1.00 0.00 C ATOM 860 O SER A 62 -13.905 4.843 -4.914 1.00 0.00 O ATOM 861 CB SER A 62 -11.845 2.206 -4.706 1.00 0.00 C ATOM 862 OG SER A 62 -12.177 2.092 -3.333 1.00 0.00 O ATOM 0 H SER A 62 -12.167 1.561 -7.062 1.00 0.00 H new ATOM 0 HA SER A 62 -13.962 2.336 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.506 1.241 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.016 2.904 -4.826 1.00 0.00 H new ATOM 0 HG SER A 62 -11.762 1.285 -2.962 1.00 0.00 H new ATOM 868 N GLY A 63 -12.153 4.795 -6.325 1.00 0.00 N ATOM 869 CA GLY A 63 -12.088 6.241 -6.434 1.00 0.00 C ATOM 870 C GLY A 63 -10.676 6.772 -6.283 1.00 0.00 C ATOM 871 O GLY A 63 -10.448 7.760 -5.585 1.00 0.00 O ATOM 0 H GLY A 63 -11.453 4.293 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.486 6.547 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.725 6.689 -5.671 1.00 0.00 H new ATOM 875 N LEU A 64 -9.726 6.115 -6.940 1.00 0.00 N ATOM 876 CA LEU A 64 -8.328 6.526 -6.876 1.00 0.00 C ATOM 877 C LEU A 64 -7.980 7.448 -8.041 1.00 0.00 C ATOM 878 O LEU A 64 -8.544 7.330 -9.129 1.00 0.00 O ATOM 879 CB LEU A 64 -7.413 5.299 -6.887 1.00 0.00 C ATOM 880 CG LEU A 64 -6.949 4.825 -5.508 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.900 3.306 -5.452 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.588 5.417 -5.172 1.00 0.00 C ATOM 0 H LEU A 64 -9.899 5.296 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.177 7.073 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.936 4.479 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.534 5.525 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.668 5.171 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.568 2.989 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.893 2.902 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.204 2.936 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.273 5.070 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.859 5.101 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.655 6.505 -5.168 1.00 0.00 H new ATOM 894 N LYS A 65 -7.047 8.365 -7.804 1.00 0.00 N ATOM 895 CA LYS A 65 -6.624 9.307 -8.834 1.00 0.00 C ATOM 896 C LYS A 65 -5.103 9.332 -8.956 1.00 0.00 C ATOM 897 O LYS A 65 -4.397 8.707 -8.165 1.00 0.00 O ATOM 898 CB LYS A 65 -7.143 10.711 -8.517 1.00 0.00 C ATOM 899 CG LYS A 65 -8.644 10.764 -8.276 1.00 0.00 C ATOM 900 CD LYS A 65 -8.968 11.062 -6.820 1.00 0.00 C ATOM 901 CE LYS A 65 -10.128 12.038 -6.696 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.445 11.346 -6.764 1.00 0.00 N ATOM 0 H LYS A 65 -6.570 8.476 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.043 8.978 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.628 11.089 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.892 11.377 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.088 11.530 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.093 9.813 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.215 10.134 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.088 11.476 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.049 12.577 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.066 12.779 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.210 12.045 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.531 10.852 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.515 10.657 -5.989 1.00 0.00 H new ATOM 916 N VAL A 66 -4.607 10.059 -9.952 1.00 0.00 N ATOM 917 CA VAL A 66 -3.171 10.166 -10.178 1.00 0.00 C ATOM 918 C VAL A 66 -2.569 11.297 -9.350 1.00 0.00 C ATOM 919 O VAL A 66 -3.101 12.406 -9.318 1.00 0.00 O ATOM 920 CB VAL A 66 -2.852 10.407 -11.665 1.00 0.00 C ATOM 921 CG1 VAL A 66 -3.121 9.152 -12.480 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.657 11.583 -12.200 1.00 0.00 C ATOM 0 H VAL A 66 -5.179 10.582 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.730 9.218 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.793 10.650 -11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.890 9.342 -13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.496 8.338 -12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.171 8.874 -12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.419 11.739 -13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.721 11.372 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.408 12.481 -11.635 1.00 0.00 H new ATOM 932 N GLY A 67 -1.456 11.008 -8.683 1.00 0.00 N ATOM 933 CA GLY A 67 -0.800 12.012 -7.866 1.00 0.00 C ATOM 934 C GLY A 67 -0.880 11.699 -6.383 1.00 0.00 C ATOM 935 O GLY A 67 -0.097 12.223 -5.590 1.00 0.00 O ATOM 0 H GLY A 67 -0.997 10.097 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.246 12.089 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.257 12.984 -8.054 1.00 0.00 H new ATOM 939 N ASP A 68 -1.828 10.845 -6.006 1.00 0.00 N ATOM 940 CA ASP A 68 -2.006 10.467 -4.607 1.00 0.00 C ATOM 941 C ASP A 68 -0.710 9.913 -4.021 1.00 0.00 C ATOM 942 O ASP A 68 0.100 9.317 -4.731 1.00 0.00 O ATOM 943 CB ASP A 68 -3.122 9.429 -4.477 1.00 0.00 C ATOM 944 CG ASP A 68 -4.478 10.066 -4.243 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.714 11.171 -4.775 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.304 9.459 -3.530 1.00 0.00 O ATOM 0 H ASP A 68 -2.484 10.402 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.282 11.361 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.159 8.824 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.893 8.754 -3.652 1.00 0.00 H new ATOM 951 N GLN A 69 -0.521 10.116 -2.721 1.00 0.00 N ATOM 952 CA GLN A 69 0.674 9.638 -2.038 1.00 0.00 C ATOM 953 C GLN A 69 0.349 8.456 -1.132 1.00 0.00 C ATOM 954 O GLN A 69 -0.320 8.609 -0.111 1.00 0.00 O ATOM 955 CB GLN A 69 1.303 10.766 -1.218 1.00 0.00 C ATOM 956 CG GLN A 69 2.790 10.578 -0.963 1.00 0.00 C ATOM 957 CD GLN A 69 3.068 9.716 0.252 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.817 10.122 1.388 1.00 0.00 O ATOM 959 NE2 GLN A 69 3.591 8.517 0.021 1.00 0.00 N ATOM 0 H GLN A 69 -1.181 10.609 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 69 1.385 9.306 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.149 11.711 -1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.786 10.841 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.251 10.123 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.258 11.553 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.783 8.220 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.800 7.893 0.800 1.00 0.00 H new ATOM 968 N ILE A 70 0.829 7.276 -1.512 1.00 0.00 N ATOM 969 CA ILE A 70 0.590 6.066 -0.734 1.00 0.00 C ATOM 970 C ILE A 70 1.432 6.056 0.537 1.00 0.00 C ATOM 971 O ILE A 70 2.659 5.962 0.480 1.00 0.00 O ATOM 972 CB ILE A 70 0.901 4.799 -1.552 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.226 4.871 -2.923 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.452 3.556 -0.798 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.498 3.664 -3.794 1.00 0.00 C ATOM 0 H ILE A 70 1.386 7.132 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.467 6.066 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 70 1.979 4.738 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.850 4.974 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.568 5.767 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.679 2.669 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.977 3.500 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.622 3.607 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.011 3.783 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.571 3.572 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.131 2.766 -3.297 1.00 0.00 H new ATOM 987 N LEU A 71 0.768 6.154 1.683 1.00 0.00 N ATOM 988 CA LEU A 71 1.457 6.156 2.969 1.00 0.00 C ATOM 989 C LEU A 71 1.767 4.734 3.422 1.00 0.00 C ATOM 990 O LEU A 71 2.929 4.366 3.599 1.00 0.00 O ATOM 991 CB LEU A 71 0.609 6.867 4.024 1.00 0.00 C ATOM 992 CG LEU A 71 0.185 8.291 3.662 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.136 8.642 4.330 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.265 9.286 4.058 1.00 0.00 C ATOM 0 H LEU A 71 -0.247 6.233 1.748 1.00 0.00 H new ATOM 0 HA LEU A 71 2.398 6.692 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.286 6.274 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.169 6.898 4.958 1.00 0.00 H new ATOM 0 HG LEU A 71 0.048 8.344 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.421 9.659 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.908 7.948 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.027 8.571 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.946 10.294 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.435 9.230 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.190 9.048 3.532 1.00 0.00 H new ATOM 1006 N GLU A 72 0.720 3.936 3.609 1.00 0.00 N ATOM 1007 CA GLU A 72 0.879 2.553 4.042 1.00 0.00 C ATOM 1008 C GLU A 72 -0.154 1.651 3.375 1.00 0.00 C ATOM 1009 O GLU A 72 -1.177 2.123 2.879 1.00 0.00 O ATOM 1010 CB GLU A 72 0.752 2.455 5.564 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.615 2.863 6.087 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.543 4.010 7.077 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.319 4.895 6.900 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.351 4.022 8.030 1.00 0.00 O ATOM 0 H GLU A 72 -0.248 4.224 3.467 1.00 0.00 H new ATOM 0 HA GLU A 72 1.873 2.218 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.959 1.430 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.512 3.086 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.249 3.151 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.088 2.005 6.565 1.00 0.00 H new ATOM 1021 N VAL A 73 0.120 0.350 3.368 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.787 -0.617 2.762 1.00 0.00 C ATOM 1023 C VAL A 73 -0.851 -1.901 3.584 1.00 0.00 C ATOM 1024 O VAL A 73 0.176 -2.507 3.888 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.361 -0.964 1.324 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.420 -1.814 0.641 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.088 0.303 0.528 1.00 0.00 C ATOM 0 H VAL A 73 0.962 -0.058 3.775 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.773 -0.153 2.739 1.00 0.00 H new ATOM 0 HB VAL A 73 0.561 -1.544 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.100 -2.048 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.560 -2.739 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.361 -1.265 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.212 0.038 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.991 0.912 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.712 0.868 1.007 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.065 -2.309 3.940 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.263 -3.521 4.726 1.00 0.00 C ATOM 1039 C ASN A 74 -1.559 -3.417 6.074 1.00 0.00 C ATOM 1040 O ASN A 74 -1.030 -4.403 6.587 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.748 -4.741 3.961 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.665 -5.137 2.820 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.840 -5.435 3.027 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.128 -5.142 1.604 1.00 0.00 N ATOM 0 H ASN A 74 -2.926 -1.818 3.697 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.332 -3.637 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.754 -4.527 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.644 -5.580 4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.696 -5.400 0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.148 -4.888 1.478 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.554 -2.216 6.643 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.911 -2.005 7.927 1.00 0.00 C ATOM 1053 C GLY A 75 0.602 -2.026 7.827 1.00 0.00 C ATOM 1054 O GLY A 75 1.288 -2.374 8.788 1.00 0.00 O ATOM 0 H GLY A 75 -1.984 -1.385 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.232 -1.048 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.237 -2.777 8.625 1.00 0.00 H new ATOM 1058 N ARG A 76 1.122 -1.651 6.664 1.00 0.00 N ATOM 1059 CA ARG A 76 2.563 -1.627 6.442 1.00 0.00 C ATOM 1060 C ARG A 76 2.991 -0.316 5.792 1.00 0.00 C ATOM 1061 O ARG A 76 2.407 0.116 4.799 1.00 0.00 O ATOM 1062 CB ARG A 76 2.985 -2.807 5.564 1.00 0.00 C ATOM 1063 CG ARG A 76 4.486 -2.884 5.331 1.00 0.00 C ATOM 1064 CD ARG A 76 4.986 -4.318 5.383 1.00 0.00 C ATOM 1065 NE ARG A 76 6.417 -4.389 5.671 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.947 -4.121 6.862 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.170 -3.766 7.878 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.258 -4.210 7.039 1.00 0.00 N ATOM 0 H ARG A 76 0.567 -1.359 5.860 1.00 0.00 H new ATOM 0 HA ARG A 76 3.056 -1.710 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.650 -3.734 6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.479 -2.732 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.727 -2.449 4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.003 -2.290 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.435 -4.867 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.783 -4.807 4.430 1.00 0.00 H new ATOM 0 HE ARG A 76 7.046 -4.660 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.161 -3.697 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.582 -3.562 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.860 -4.484 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.665 -4.005 7.952 1.00 0.00 H new ATOM 1082 N SER A 77 4.015 0.313 6.360 1.00 0.00 N ATOM 1083 CA SER A 77 4.522 1.576 5.836 1.00 0.00 C ATOM 1084 C SER A 77 5.076 1.398 4.426 1.00 0.00 C ATOM 1085 O SER A 77 5.766 0.419 4.139 1.00 0.00 O ATOM 1086 CB SER A 77 5.608 2.136 6.757 1.00 0.00 C ATOM 1087 OG SER A 77 5.520 3.548 6.851 1.00 0.00 O ATOM 0 H SER A 77 4.510 -0.031 7.183 1.00 0.00 H new ATOM 0 HA SER A 77 3.692 2.282 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.510 1.696 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.591 1.854 6.379 1.00 0.00 H new ATOM 0 HG SER A 77 6.224 3.881 7.446 1.00 0.00 H new ATOM 1093 N PHE A 78 4.770 2.350 3.551 1.00 0.00 N ATOM 1094 CA PHE A 78 5.237 2.299 2.171 1.00 0.00 C ATOM 1095 C PHE A 78 6.083 3.525 1.838 1.00 0.00 C ATOM 1096 O PHE A 78 6.099 3.990 0.699 1.00 0.00 O ATOM 1097 CB PHE A 78 4.049 2.208 1.211 1.00 0.00 C ATOM 1098 CG PHE A 78 3.674 0.798 0.854 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.459 -0.148 1.844 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.534 0.419 -0.472 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.113 -1.446 1.518 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.188 -0.878 -0.804 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.978 -1.812 0.193 1.00 0.00 C ATOM 0 H PHE A 78 4.200 3.166 3.773 1.00 0.00 H new ATOM 0 HA PHE A 78 5.857 1.410 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.188 2.701 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.287 2.755 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.563 0.132 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.697 1.145 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.948 -2.174 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.082 -1.161 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.709 -2.826 -0.064 1.00 0.00 H new ATOM 1113 N LEU A 79 6.782 4.044 2.841 1.00 0.00 N ATOM 1114 CA LEU A 79 7.630 5.217 2.656 1.00 0.00 C ATOM 1115 C LEU A 79 8.994 4.819 2.102 1.00 0.00 C ATOM 1116 O LEU A 79 9.409 5.296 1.045 1.00 0.00 O ATOM 1117 CB LEU A 79 7.802 5.962 3.981 1.00 0.00 C ATOM 1118 CG LEU A 79 6.505 6.476 4.608 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.770 7.036 5.997 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.865 7.532 3.719 1.00 0.00 C ATOM 0 H LEU A 79 6.779 3.672 3.791 1.00 0.00 H new ATOM 0 HA LEU A 79 7.144 5.877 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.293 5.298 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.470 6.808 3.820 1.00 0.00 H new ATOM 0 HG LEU A 79 5.812 5.640 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.836 7.397 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.184 6.253 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.480 7.860 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.943 7.886 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.553 8.368 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.639 7.099 2.744 1.00 0.00 H new ATOM 1132 N ASN A 80 9.688 3.946 2.823 1.00 0.00 N ATOM 1133 CA ASN A 80 11.006 3.484 2.404 1.00 0.00 C ATOM 1134 C ASN A 80 10.912 2.132 1.704 1.00 0.00 C ATOM 1135 O ASN A 80 11.796 1.286 1.846 1.00 0.00 O ATOM 1136 CB ASN A 80 11.942 3.384 3.609 1.00 0.00 C ATOM 1137 CG ASN A 80 11.440 2.403 4.651 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.992 1.304 4.321 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.512 2.795 5.917 1.00 0.00 N ATOM 0 H ASN A 80 9.360 3.544 3.701 1.00 0.00 H new ATOM 0 HA ASN A 80 11.410 4.210 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.932 3.077 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.051 4.369 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.189 2.177 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.890 3.714 6.146 1.00 0.00 H new ATOM 1146 N ILE A 81 9.836 1.935 0.951 1.00 0.00 N ATOM 1147 CA ILE A 81 9.626 0.685 0.230 1.00 0.00 C ATOM 1148 C ILE A 81 10.177 0.772 -1.190 1.00 0.00 C ATOM 1149 O ILE A 81 10.008 1.783 -1.872 1.00 0.00 O ATOM 1150 CB ILE A 81 8.130 0.314 0.173 1.00 0.00 C ATOM 1151 CG1 ILE A 81 7.943 -1.051 -0.495 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.343 1.386 -0.567 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.810 -1.862 0.096 1.00 0.00 C ATOM 0 H ILE A 81 9.095 2.625 0.824 1.00 0.00 H new ATOM 0 HA ILE A 81 10.162 -0.092 0.776 1.00 0.00 H new ATOM 0 HB ILE A 81 7.749 0.252 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.757 -0.904 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.869 -1.619 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.290 1.108 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.452 2.339 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.723 1.480 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.735 -2.816 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.003 -2.040 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.874 -1.314 -0.014 1.00 0.00 H new ATOM 1165 N LEU A 82 10.837 -0.295 -1.629 1.00 0.00 N ATOM 1166 CA LEU A 82 11.413 -0.341 -2.968 1.00 0.00 C ATOM 1167 C LEU A 82 10.329 -0.189 -4.030 1.00 0.00 C ATOM 1168 O LEU A 82 9.141 -0.337 -3.746 1.00 0.00 O ATOM 1169 CB LEU A 82 12.166 -1.656 -3.176 1.00 0.00 C ATOM 1170 CG LEU A 82 13.328 -1.897 -2.207 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.243 -3.290 -1.603 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.662 -1.700 -2.913 1.00 0.00 C ATOM 0 H LEU A 82 10.986 -1.139 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 82 12.112 0.489 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.459 -2.481 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.552 -1.679 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 82 13.256 -1.169 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.077 -3.441 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.304 -3.394 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.287 -4.035 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.476 -1.875 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.742 -2.403 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.725 -0.681 -3.294 1.00 0.00 H new ATOM 1184 N HIS A 83 10.748 0.107 -5.257 1.00 0.00 N ATOM 1185 CA HIS A 83 9.813 0.278 -6.363 1.00 0.00 C ATOM 1186 C HIS A 83 9.252 -1.066 -6.814 1.00 0.00 C ATOM 1187 O HIS A 83 8.111 -1.153 -7.268 1.00 0.00 O ATOM 1188 CB HIS A 83 10.502 0.976 -7.537 1.00 0.00 C ATOM 1189 CG HIS A 83 9.562 1.367 -8.635 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.305 1.883 -8.401 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.701 1.317 -9.981 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.712 2.132 -9.555 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.538 1.798 -10.529 1.00 0.00 N ATOM 0 H HIS A 83 11.728 0.233 -5.510 1.00 0.00 H new ATOM 0 HA HIS A 83 8.987 0.898 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.011 1.867 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.268 0.315 -7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.566 0.964 -10.523 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.720 2.540 -9.680 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.344 1.883 -11.527 1.00 0.00 H new ATOM 1202 N ASP A 84 10.060 -2.113 -6.684 1.00 0.00 N ATOM 1203 CA ASP A 84 9.644 -3.454 -7.077 1.00 0.00 C ATOM 1204 C ASP A 84 8.773 -4.091 -6.000 1.00 0.00 C ATOM 1205 O ASP A 84 7.792 -4.771 -6.303 1.00 0.00 O ATOM 1206 CB ASP A 84 10.867 -4.332 -7.346 1.00 0.00 C ATOM 1207 CG ASP A 84 11.631 -3.897 -8.581 1.00 0.00 C ATOM 1208 OD1 ASP A 84 11.534 -2.708 -8.951 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.327 -4.746 -9.178 1.00 0.00 O ATOM 0 H ASP A 84 11.007 -2.058 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 84 9.057 -3.372 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.531 -4.300 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.548 -5.367 -7.465 1.00 0.00 H new ATOM 1214 N GLU A 85 9.138 -3.868 -4.742 1.00 0.00 N ATOM 1215 CA GLU A 85 8.389 -4.420 -3.619 1.00 0.00 C ATOM 1216 C GLU A 85 6.963 -3.879 -3.596 1.00 0.00 C ATOM 1217 O GLU A 85 6.027 -4.583 -3.219 1.00 0.00 O ATOM 1218 CB GLU A 85 9.092 -4.094 -2.301 1.00 0.00 C ATOM 1219 CG GLU A 85 8.659 -4.981 -1.144 1.00 0.00 C ATOM 1220 CD GLU A 85 9.568 -4.852 0.061 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.714 -3.725 0.578 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.136 -5.880 0.488 1.00 0.00 O ATOM 0 H GLU A 85 9.948 -3.309 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 85 8.345 -5.502 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.169 -4.192 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.897 -3.053 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.640 -4.723 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.644 -6.020 -1.473 1.00 0.00 H new ATOM 1229 N ALA A 86 6.806 -2.624 -4.004 1.00 0.00 N ATOM 1230 CA ALA A 86 5.495 -1.988 -4.031 1.00 0.00 C ATOM 1231 C ALA A 86 4.580 -2.660 -5.049 1.00 0.00 C ATOM 1232 O ALA A 86 3.363 -2.707 -4.870 1.00 0.00 O ATOM 1233 CB ALA A 86 5.633 -0.505 -4.342 1.00 0.00 C ATOM 0 H ALA A 86 7.571 -2.028 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 86 5.044 -2.101 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.646 -0.043 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.244 -0.028 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.109 -0.380 -5.315 1.00 0.00 H new ATOM 1239 N VAL A 87 5.173 -3.180 -6.118 1.00 0.00 N ATOM 1240 CA VAL A 87 4.412 -3.850 -7.166 1.00 0.00 C ATOM 1241 C VAL A 87 4.119 -5.299 -6.791 1.00 0.00 C ATOM 1242 O VAL A 87 2.974 -5.746 -6.848 1.00 0.00 O ATOM 1243 CB VAL A 87 5.160 -3.821 -8.511 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.272 -4.343 -9.629 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.649 -2.414 -8.820 1.00 0.00 C ATOM 0 H VAL A 87 6.179 -3.150 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 87 3.473 -3.307 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 87 6.029 -4.474 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.819 -4.314 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.978 -5.370 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.381 -3.720 -9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.175 -2.413 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.797 -1.737 -8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.326 -2.083 -8.032 1.00 0.00 H new ATOM 1255 N ARG A 88 5.162 -6.028 -6.407 1.00 0.00 N ATOM 1256 CA ARG A 88 5.016 -7.427 -6.024 1.00 0.00 C ATOM 1257 C ARG A 88 4.077 -7.569 -4.829 1.00 0.00 C ATOM 1258 O ARG A 88 3.336 -8.545 -4.722 1.00 0.00 O ATOM 1259 CB ARG A 88 6.383 -8.031 -5.691 1.00 0.00 C ATOM 1260 CG ARG A 88 6.993 -8.819 -6.838 1.00 0.00 C ATOM 1261 CD ARG A 88 8.488 -8.566 -6.957 1.00 0.00 C ATOM 1262 NE ARG A 88 8.999 -8.917 -8.279 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.261 -10.165 -8.666 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.062 -11.180 -7.834 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.723 -10.397 -9.887 1.00 0.00 N ATOM 0 H ARG A 88 6.117 -5.673 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 88 4.584 -7.967 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.066 -7.230 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.281 -8.685 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.814 -9.883 -6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.501 -8.544 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.695 -7.515 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.015 -9.145 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 88 9.165 -8.163 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.707 -11.007 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.264 -12.133 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.878 -9.620 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.924 -11.352 -10.183 1.00 0.00 H new ATOM 1279 N LEU A 89 4.115 -6.587 -3.934 1.00 0.00 N ATOM 1280 CA LEU A 89 3.267 -6.603 -2.747 1.00 0.00 C ATOM 1281 C LEU A 89 1.842 -6.178 -3.090 1.00 0.00 C ATOM 1282 O LEU A 89 0.882 -6.633 -2.468 1.00 0.00 O ATOM 1283 CB LEU A 89 3.841 -5.679 -1.671 1.00 0.00 C ATOM 1284 CG LEU A 89 3.246 -5.866 -0.274 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.359 -7.319 0.163 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.938 -4.952 0.725 1.00 0.00 C ATOM 0 H LEU A 89 4.723 -5.771 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 89 3.241 -7.623 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.918 -5.837 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.686 -4.645 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 89 2.190 -5.599 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.931 -7.434 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.819 -7.953 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.409 -7.612 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.503 -5.098 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.002 -5.188 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.806 -3.914 0.420 1.00 0.00 H new ATOM 1298 N LEU A 90 1.714 -5.306 -4.084 1.00 0.00 N ATOM 1299 CA LEU A 90 0.406 -4.821 -4.510 1.00 0.00 C ATOM 1300 C LEU A 90 -0.258 -5.810 -5.461 1.00 0.00 C ATOM 1301 O LEU A 90 -1.481 -5.953 -5.471 1.00 0.00 O ATOM 1302 CB LEU A 90 0.542 -3.456 -5.188 1.00 0.00 C ATOM 1303 CG LEU A 90 0.605 -2.261 -4.234 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.998 -1.000 -4.985 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.730 -2.072 -3.530 1.00 0.00 C ATOM 0 H LEU A 90 2.499 -4.921 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.222 -4.719 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.444 -3.460 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.302 -3.318 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 90 1.366 -2.461 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.038 -0.161 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.978 -1.139 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.261 -0.794 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.668 -1.218 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.510 -1.893 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.970 -2.969 -2.959 1.00 0.00 H new ATOM 1317 N LYS A 91 0.557 -6.493 -6.259 1.00 0.00 N ATOM 1318 CA LYS A 91 0.048 -7.471 -7.215 1.00 0.00 C ATOM 1319 C LYS A 91 0.355 -8.893 -6.753 1.00 0.00 C ATOM 1320 O LYS A 91 1.252 -9.549 -7.282 1.00 0.00 O ATOM 1321 CB LYS A 91 0.654 -7.226 -8.598 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.245 -6.424 -9.524 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.471 -5.016 -8.998 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.530 -4.002 -10.130 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.081 -2.652 -9.690 1.00 0.00 N ATOM 0 H LYS A 91 1.572 -6.388 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.034 -7.355 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.602 -6.701 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.876 -8.186 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.204 -6.375 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.204 -6.932 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.401 -4.983 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.332 -4.750 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.096 -4.342 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.550 -3.940 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.136 -1.990 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.694 -2.316 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.901 -2.706 -9.352 1.00 0.00 H new ATOM 1339 N SER A 92 -0.396 -9.361 -5.761 1.00 0.00 N ATOM 1340 CA SER A 92 -0.205 -10.704 -5.227 1.00 0.00 C ATOM 1341 C SER A 92 -1.243 -11.013 -4.153 1.00 0.00 C ATOM 1342 O SER A 92 -1.819 -12.100 -4.126 1.00 0.00 O ATOM 1343 CB SER A 92 1.203 -10.852 -4.649 1.00 0.00 C ATOM 1344 OG SER A 92 1.649 -12.195 -4.725 1.00 0.00 O ATOM 0 H SER A 92 -1.142 -8.830 -5.311 1.00 0.00 H new ATOM 0 HA SER A 92 -0.330 -11.414 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.892 -10.206 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.209 -10.522 -3.610 1.00 0.00 H new ATOM 0 HG SER A 92 2.552 -12.261 -4.350 1.00 0.00 H new ATOM 1350 N SER A 93 -1.476 -10.049 -3.268 1.00 0.00 N ATOM 1351 CA SER A 93 -2.445 -10.217 -2.191 1.00 0.00 C ATOM 1352 C SER A 93 -3.862 -9.950 -2.688 1.00 0.00 C ATOM 1353 O SER A 93 -4.063 -9.216 -3.657 1.00 0.00 O ATOM 1354 CB SER A 93 -2.113 -9.281 -1.028 1.00 0.00 C ATOM 1355 OG SER A 93 -1.418 -9.968 -0.003 1.00 0.00 O ATOM 0 H SER A 93 -1.007 -9.143 -3.276 1.00 0.00 H new ATOM 0 HA SER A 93 -2.391 -11.249 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.507 -8.449 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.032 -8.855 -0.626 1.00 0.00 H new ATOM 0 HG SER A 93 -1.216 -9.347 0.728 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.842 -10.548 -2.019 1.00 0.00 N ATOM 1362 CA ARG A 94 -6.240 -10.373 -2.392 1.00 0.00 C ATOM 1363 C ARG A 94 -6.761 -9.017 -1.930 1.00 0.00 C ATOM 1364 O ARG A 94 -7.165 -8.186 -2.742 1.00 0.00 O ATOM 1365 CB ARG A 94 -7.093 -11.492 -1.792 1.00 0.00 C ATOM 1366 CG ARG A 94 -7.061 -12.781 -2.599 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.875 -13.650 -2.213 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.179 -15.074 -2.332 1.00 0.00 N ATOM 1369 CZ ARG A 94 -5.463 -16.036 -1.753 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -4.403 -15.731 -1.015 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.809 -17.306 -1.913 1.00 0.00 N ATOM 0 H ARG A 94 -4.693 -11.158 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.308 -10.416 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.747 -11.698 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.124 -11.148 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.986 -13.335 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.010 -12.545 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.024 -13.406 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.580 -13.427 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.987 -15.347 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.133 -14.756 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.858 -16.472 -0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.623 -17.545 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.261 -18.044 -1.470 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.748 -8.800 -0.618 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.220 -7.544 -0.047 1.00 0.00 C ATOM 1387 C HIS A 95 -6.078 -6.539 0.073 1.00 0.00 C ATOM 1388 O HIS A 95 -5.061 -6.812 0.709 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.845 -7.788 1.328 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.738 -6.676 1.785 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.645 -6.815 2.814 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.859 -5.401 1.348 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.286 -5.672 2.990 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -9.828 -4.799 2.114 1.00 0.00 N ATOM 0 H HIS A 95 -6.416 -9.477 0.069 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.976 -7.131 -0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.418 -8.715 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.050 -7.929 2.060 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.798 -7.666 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.299 -4.942 0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.054 -5.485 3.726 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.256 -5.373 -0.542 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.241 -4.327 -0.504 1.00 0.00 C ATOM 1405 C LEU A 96 -5.811 -3.037 0.077 1.00 0.00 C ATOM 1406 O LEU A 96 -6.547 -2.313 -0.595 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.692 -4.069 -1.908 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.331 -5.325 -2.703 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.305 -5.026 -4.193 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -2.988 -5.876 -2.243 1.00 0.00 C ATOM 0 H LEU A 96 -7.093 -5.130 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.429 -4.666 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.432 -3.501 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.804 -3.442 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.095 -6.081 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.046 -5.932 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.287 -4.677 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.563 -4.254 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.745 -6.770 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.214 -5.124 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.042 -6.129 -1.184 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.466 -2.756 1.329 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.944 -1.553 2.001 1.00 0.00 C ATOM 1424 C ILE A 97 -4.884 -0.456 1.982 1.00 0.00 C ATOM 1425 O ILE A 97 -4.064 -0.356 2.895 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.339 -1.844 3.462 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.260 -3.065 3.535 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.012 -0.627 4.080 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.827 -4.087 4.563 1.00 0.00 C ATOM 0 H ILE A 97 -4.858 -3.344 1.899 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.825 -1.214 1.455 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.435 -2.063 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.272 -2.733 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.298 -3.541 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.285 -0.847 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.325 0.219 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.909 -0.379 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.525 -4.924 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.827 -4.447 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.816 -3.627 5.551 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.906 0.364 0.937 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.946 1.453 0.800 1.00 0.00 C ATOM 1443 C LEU A 98 -4.377 2.663 1.624 1.00 0.00 C ATOM 1444 O LEU A 98 -5.552 2.814 1.957 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.799 1.850 -0.670 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.326 0.729 -1.599 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.516 -0.009 -2.191 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.440 1.290 -2.701 1.00 0.00 C ATOM 0 H LEU A 98 -5.578 0.295 0.173 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.983 1.105 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.760 2.218 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.095 2.679 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.739 0.020 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.161 -0.802 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.112 -0.443 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.129 0.688 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.112 0.480 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.002 2.020 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.570 1.773 -2.257 1.00 0.00 H new ATOM 1460 N THR A 99 -3.416 3.521 1.951 1.00 0.00 N ATOM 1461 CA THR A 99 -3.696 4.719 2.736 1.00 0.00 C ATOM 1462 C THR A 99 -3.097 5.955 2.074 1.00 0.00 C ATOM 1463 O THR A 99 -1.988 6.373 2.406 1.00 0.00 O ATOM 1464 CB THR A 99 -3.142 4.565 4.153 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.546 3.331 4.718 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.583 5.668 5.091 1.00 0.00 C ATOM 0 H THR A 99 -2.438 3.410 1.685 1.00 0.00 H new ATOM 0 HA THR A 99 -4.777 4.846 2.788 1.00 0.00 H new ATOM 0 HB THR A 99 -2.058 4.613 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.319 3.318 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.155 5.498 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.241 6.630 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.671 5.672 5.163 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.839 6.535 1.136 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.381 7.724 0.427 1.00 0.00 C ATOM 1476 C VAL A 100 -4.017 8.985 1.001 1.00 0.00 C ATOM 1477 O VAL A 100 -5.148 8.956 1.488 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.702 7.640 -1.077 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.840 6.584 -1.751 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.180 7.348 -1.291 1.00 0.00 C ATOM 0 H VAL A 100 -4.759 6.201 0.850 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.300 7.773 0.558 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.475 8.604 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.082 6.540 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.788 6.841 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.031 5.613 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.389 7.292 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.435 6.398 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.776 8.144 -0.846 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.284 10.091 0.941 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.776 11.365 1.455 1.00 0.00 C ATOM 1492 C LYS A 101 -4.041 12.345 0.318 1.00 0.00 C ATOM 1493 O LYS A 101 -3.759 12.053 -0.845 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.770 11.966 2.437 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.335 11.931 1.936 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.384 12.590 2.923 1.00 0.00 C ATOM 1497 CE LYS A 101 -0.605 14.093 2.993 1.00 0.00 C ATOM 1498 NZ LYS A 101 -1.275 14.498 4.261 1.00 0.00 N ATOM 0 H LYS A 101 -2.346 10.132 0.541 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.715 11.179 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.049 12.999 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.830 11.425 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.031 10.897 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.272 12.439 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.525 12.154 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.646 12.386 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.354 14.605 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.211 14.411 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.469 15.520 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.170 13.978 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.655 14.279 5.067 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.585 13.508 0.659 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.888 14.531 -0.334 1.00 0.00 C ATOM 1514 C ASP A 102 -3.610 15.186 -0.848 1.00 0.00 C ATOM 1515 O ASP A 102 -2.798 15.681 -0.066 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.814 15.593 0.263 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.274 15.188 0.197 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.610 14.308 -0.623 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.082 15.752 0.964 1.00 0.00 O ATOM 0 H ASP A 102 -4.825 13.766 1.616 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.391 14.050 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.536 15.772 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.676 16.533 -0.271 1.00 0.00 H new