USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 1.08 K(o=2.3,f=-5.4) USER MOD Set 2.1: A 52 GLN : amide:sc= 1.05 K(o=2.3,f=-2.9) USER MOD Set 2.2: A 116 THR OG1 : rot -109:sc= 1.25 USER MOD Set 3.1: A 63 CYS SG : rot -70:sc= -3.56! USER MOD Set 3.2: A 105 LYS NZ :NH3+ 153:sc= 1.01 (180deg=0.285) USER MOD Set 4.1: A 78 LYS NZ :NH3+ 176:sc= 2.29 (180deg=1.02) USER MOD Set 4.2: A 94 GLN : amide:sc= 0.281 K(o=2.6,f=-7.2) USER MOD Set 5.1: A 37 GLN : amide:sc= -1.06 K(o=-0.19,f=-4.6!) USER MOD Set 5.2: A 107 THR OG1 : rot 70:sc= 0.878 USER MOD Single : A 21 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.42) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.958 K(o=-0.96,f=-6.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.8! K(o=-1.8!,f=0.57) USER MOD Single : A 39 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.15) USER MOD Single : A 44 ASN : amide:sc= -0.781 K(o=-0.78,f=-2.5!) USER MOD Single : A 46 ASN : amide:sc= -1.48! X(o=-1.5!,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0412 (180deg=-0.741!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.413 (180deg=-2.15!) USER MOD Single : A 65 MET CE :methyl -107:sc= -0.184 (180deg=-2.16!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 89 ASN : amide:sc= 0.885 K(o=0.88,f=-0.02) USER MOD Single : A 90 TYR OH : rot 165:sc= -0.0011 USER MOD Single : A 95 THR OG1 : rot 60:sc= 0.806 USER MOD Single : A 97 SER OG : rot 24:sc= 0.0808 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= -0.0102 (180deg=-0.201) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 143:sc= 1.2 (180deg=0.0312) USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= -0.014 (180deg=-0.106) USER MOD Single : A 115 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 2.197 17.958 -0.334 1.00 0.00 N ATOM 298 CA LEU A 18 1.165 16.907 -0.321 1.00 0.00 C ATOM 299 C LEU A 18 1.536 15.712 -1.200 1.00 0.00 C ATOM 300 O LEU A 18 1.536 14.561 -0.737 1.00 0.00 O ATOM 301 CB LEU A 18 -0.203 17.474 -0.745 1.00 0.00 C ATOM 302 CG LEU A 18 -0.882 18.448 0.242 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.150 19.782 0.309 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.334 18.659 -0.138 1.00 0.00 C ATOM 0 HA LEU A 18 1.099 16.548 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.079 17.987 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.880 16.637 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.838 17.998 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.658 20.441 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.876 19.618 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.143 20.243 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.798 19.348 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.390 19.077 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.859 17.704 -0.112 1.00 0.00 H new ATOM 316 N ILE A 19 1.855 15.983 -2.459 1.00 0.00 N ATOM 317 CA ILE A 19 2.227 14.927 -3.392 1.00 0.00 C ATOM 318 C ILE A 19 3.445 14.161 -2.896 1.00 0.00 C ATOM 319 O ILE A 19 3.504 12.963 -3.032 1.00 0.00 O ATOM 320 CB ILE A 19 2.475 15.476 -4.825 1.00 0.00 C ATOM 321 CG1 ILE A 19 1.147 15.888 -5.456 1.00 0.00 C ATOM 322 CG2 ILE A 19 3.185 14.448 -5.712 1.00 0.00 C ATOM 323 CD1 ILE A 19 0.169 14.735 -5.629 1.00 0.00 C ATOM 0 H ILE A 19 1.864 16.922 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 19 1.383 14.239 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 19 3.127 16.345 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.684 16.656 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.341 16.337 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.340 14.870 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.149 14.192 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.572 13.550 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.751 15.103 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.612 13.975 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.056 14.299 -4.655 1.00 0.00 H new ATOM 335 N GLU A 20 4.385 14.870 -2.282 1.00 0.00 N ATOM 336 CA GLU A 20 5.605 14.257 -1.747 1.00 0.00 C ATOM 337 C GLU A 20 5.256 13.162 -0.736 1.00 0.00 C ATOM 338 O GLU A 20 5.837 12.071 -0.753 1.00 0.00 O ATOM 339 CB GLU A 20 6.472 15.328 -1.077 1.00 0.00 C ATOM 340 CG GLU A 20 7.764 14.815 -0.469 1.00 0.00 C ATOM 341 CD GLU A 20 8.774 14.352 -1.506 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.443 13.463 -2.315 1.00 0.00 O ATOM 343 OE2 GLU A 20 9.908 14.873 -1.501 1.00 0.00 O ATOM 0 H GLU A 20 4.329 15.878 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 20 6.160 13.806 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.713 16.093 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.887 15.812 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.211 15.604 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.538 13.987 0.203 1.00 0.00 H new ATOM 350 N GLN A 21 4.292 13.459 0.128 1.00 0.00 N ATOM 351 CA GLN A 21 3.842 12.508 1.142 1.00 0.00 C ATOM 352 C GLN A 21 3.275 11.251 0.465 1.00 0.00 C ATOM 353 O GLN A 21 3.682 10.122 0.775 1.00 0.00 O ATOM 354 CB GLN A 21 2.767 13.166 2.028 1.00 0.00 C ATOM 355 CG GLN A 21 2.677 12.627 3.463 1.00 0.00 C ATOM 356 CD GLN A 21 2.361 11.144 3.546 1.00 0.00 C ATOM 357 OE1 GLN A 21 3.259 10.312 3.600 1.00 0.00 O ATOM 358 NE2 GLN A 21 1.088 10.806 3.551 1.00 0.00 N ATOM 0 H GLN A 21 3.804 14.355 0.148 1.00 0.00 H new ATOM 0 HA GLN A 21 4.688 12.219 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.962 14.237 2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.797 13.038 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.623 12.816 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.909 13.183 4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.369 11.528 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.822 9.823 3.601 1.00 0.00 H new ATOM 367 N ALA A 22 2.374 11.448 -0.496 1.00 0.00 N ATOM 368 CA ALA A 22 1.735 10.327 -1.181 1.00 0.00 C ATOM 369 C ALA A 22 2.744 9.580 -2.055 1.00 0.00 C ATOM 370 O ALA A 22 2.720 8.350 -2.162 1.00 0.00 O ATOM 371 CB ALA A 22 0.574 10.833 -2.029 1.00 0.00 C ATOM 0 H ALA A 22 2.072 12.368 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 22 1.354 9.633 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.101 9.993 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.157 11.327 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.946 11.542 -2.769 1.00 0.00 H new ATOM 377 N ASN A 23 3.630 10.357 -2.652 1.00 0.00 N ATOM 378 CA ASN A 23 4.670 9.868 -3.548 1.00 0.00 C ATOM 379 C ASN A 23 5.585 8.886 -2.839 1.00 0.00 C ATOM 380 O ASN A 23 5.948 7.851 -3.390 1.00 0.00 O ATOM 381 CB ASN A 23 5.483 11.055 -4.074 1.00 0.00 C ATOM 382 CG ASN A 23 6.503 10.684 -5.122 1.00 0.00 C ATOM 383 OD1 ASN A 23 6.314 9.747 -5.898 1.00 0.00 O ATOM 384 ND2 ASN A 23 7.589 11.427 -5.157 1.00 0.00 N ATOM 0 H ASN A 23 3.649 11.369 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 23 4.197 9.346 -4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.799 11.793 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.994 11.532 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.316 11.236 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.704 12.194 -4.494 1.00 0.00 H new ATOM 391 N HIS A 24 5.950 9.197 -1.610 1.00 0.00 N ATOM 392 CA HIS A 24 6.824 8.315 -0.875 1.00 0.00 C ATOM 393 C HIS A 24 6.102 7.101 -0.333 1.00 0.00 C ATOM 394 O HIS A 24 6.702 6.032 -0.231 1.00 0.00 O ATOM 395 CB HIS A 24 7.611 9.033 0.218 1.00 0.00 C ATOM 396 CG HIS A 24 8.786 9.794 -0.316 1.00 0.00 C ATOM 397 ND1 HIS A 24 9.936 9.185 -0.784 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.979 11.116 -0.475 1.00 0.00 C ATOM 399 CE1 HIS A 24 10.777 10.109 -1.203 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.223 11.289 -1.030 1.00 0.00 N ATOM 0 H HIS A 24 5.660 10.038 -1.111 1.00 0.00 H new ATOM 0 HA HIS A 24 7.553 7.956 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.948 9.720 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 24 7.959 8.302 0.948 1.00 0.00 H new ATOM 0 HD1 HIS A 24 10.106 8.179 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.282 11.899 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 24 11.757 9.928 -1.619 1.00 0.00 H new ATOM 409 N ALA A 25 4.816 7.227 0.024 1.00 0.00 N ATOM 410 CA ALA A 25 4.065 6.070 0.483 1.00 0.00 C ATOM 411 C ALA A 25 3.939 5.019 -0.617 1.00 0.00 C ATOM 412 O ALA A 25 4.135 3.826 -0.369 1.00 0.00 O ATOM 413 CB ALA A 25 2.689 6.494 0.971 1.00 0.00 C ATOM 0 H ALA A 25 4.291 8.101 0.002 1.00 0.00 H new ATOM 0 HA ALA A 25 4.611 5.622 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.138 5.618 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.797 7.198 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.145 6.971 0.156 1.00 0.00 H new ATOM 419 N ILE A 26 3.616 5.459 -1.838 1.00 0.00 N ATOM 420 CA ILE A 26 3.509 4.527 -2.958 1.00 0.00 C ATOM 421 C ILE A 26 4.878 3.951 -3.297 1.00 0.00 C ATOM 422 O ILE A 26 4.988 2.805 -3.724 1.00 0.00 O ATOM 423 CB ILE A 26 2.859 5.161 -4.220 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.657 6.374 -4.707 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.412 5.547 -3.934 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.122 6.992 -5.984 1.00 0.00 C ATOM 0 H ILE A 26 3.428 6.434 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 26 2.844 3.725 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 26 2.871 4.416 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.662 7.131 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.693 6.074 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.970 5.990 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.847 4.658 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.383 6.269 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.741 7.845 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.143 6.251 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.096 7.325 -5.825 1.00 0.00 H new ATOM 438 N GLU A 27 5.921 4.760 -3.083 1.00 0.00 N ATOM 439 CA GLU A 27 7.302 4.318 -3.264 1.00 0.00 C ATOM 440 C GLU A 27 7.583 3.129 -2.338 1.00 0.00 C ATOM 441 O GLU A 27 8.184 2.123 -2.741 1.00 0.00 O ATOM 442 CB GLU A 27 8.259 5.469 -2.941 1.00 0.00 C ATOM 443 CG GLU A 27 9.728 5.102 -2.947 1.00 0.00 C ATOM 444 CD GLU A 27 10.606 6.275 -2.577 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.641 6.651 -1.381 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.253 6.837 -3.474 1.00 0.00 O ATOM 0 H GLU A 27 5.830 5.730 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 27 7.453 4.011 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.097 6.269 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.004 5.869 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.900 4.285 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.007 4.738 -3.936 1.00 0.00 H new ATOM 453 N LYS A 28 7.130 3.244 -1.100 1.00 0.00 N ATOM 454 CA LYS A 28 7.272 2.170 -0.142 1.00 0.00 C ATOM 455 C LYS A 28 6.455 0.965 -0.587 1.00 0.00 C ATOM 456 O LYS A 28 6.932 -0.173 -0.542 1.00 0.00 O ATOM 457 CB LYS A 28 6.836 2.630 1.257 1.00 0.00 C ATOM 458 CG LYS A 28 6.662 1.489 2.254 1.00 0.00 C ATOM 459 CD LYS A 28 6.477 1.989 3.680 1.00 0.00 C ATOM 460 CE LYS A 28 5.289 2.933 3.820 1.00 0.00 C ATOM 461 NZ LYS A 28 5.154 3.436 5.213 1.00 0.00 N ATOM 0 H LYS A 28 6.660 4.074 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 28 8.322 1.883 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.575 3.330 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.895 3.174 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.799 0.888 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.534 0.836 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.339 1.136 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.384 2.501 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.409 3.775 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.375 2.415 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.336 4.076 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.015 2.634 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.017 3.951 5.481 1.00 0.00 H new ATOM 475 N GLY A 29 5.227 1.224 -1.035 1.00 0.00 N ATOM 476 CA GLY A 29 4.349 0.168 -1.479 1.00 0.00 C ATOM 477 C GLY A 29 4.899 -0.629 -2.644 1.00 0.00 C ATOM 478 O GLY A 29 4.859 -1.850 -2.634 1.00 0.00 O ATOM 0 H GLY A 29 4.827 2.160 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.157 -0.508 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.390 0.600 -1.766 1.00 0.00 H new ATOM 482 N GLU A 30 5.422 0.068 -3.647 1.00 0.00 N ATOM 483 CA GLU A 30 5.955 -0.597 -4.830 1.00 0.00 C ATOM 484 C GLU A 30 7.160 -1.456 -4.473 1.00 0.00 C ATOM 485 O GLU A 30 7.343 -2.551 -5.008 1.00 0.00 O ATOM 486 CB GLU A 30 6.297 0.407 -5.940 1.00 0.00 C ATOM 487 CG GLU A 30 7.321 1.455 -5.564 1.00 0.00 C ATOM 488 CD GLU A 30 7.754 2.288 -6.748 1.00 0.00 C ATOM 489 OE1 GLU A 30 7.118 3.324 -7.025 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.737 1.905 -7.418 1.00 0.00 O ATOM 0 H GLU A 30 5.488 1.086 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 30 5.176 -1.253 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.665 -0.144 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.381 0.911 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.904 2.108 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.193 0.967 -5.128 1.00 0.00 H new ATOM 497 N HIS A 31 7.966 -0.953 -3.545 1.00 0.00 N ATOM 498 CA HIS A 31 9.155 -1.660 -3.087 1.00 0.00 C ATOM 499 C HIS A 31 8.768 -2.946 -2.344 1.00 0.00 C ATOM 500 O HIS A 31 9.306 -4.014 -2.619 1.00 0.00 O ATOM 501 CB HIS A 31 9.998 -0.751 -2.181 1.00 0.00 C ATOM 502 CG HIS A 31 11.313 -1.347 -1.774 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.586 -1.770 -0.493 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.439 -1.582 -2.490 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.817 -2.236 -0.439 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.356 -2.134 -1.637 1.00 0.00 N ATOM 0 H HIS A 31 7.815 -0.051 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 31 9.750 -1.934 -3.958 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.182 0.191 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.424 -0.516 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.586 -1.373 -3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.303 -2.635 0.439 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.302 -2.420 -1.888 1.00 0.00 H new ATOM 515 N GLN A 32 7.833 -2.828 -1.409 1.00 0.00 N ATOM 516 CA GLN A 32 7.375 -3.988 -0.643 1.00 0.00 C ATOM 517 C GLN A 32 6.629 -4.960 -1.556 1.00 0.00 C ATOM 518 O GLN A 32 6.725 -6.177 -1.382 1.00 0.00 O ATOM 519 CB GLN A 32 6.495 -3.542 0.564 1.00 0.00 C ATOM 520 CG GLN A 32 5.114 -2.987 0.209 1.00 0.00 C ATOM 521 CD GLN A 32 4.011 -4.046 0.232 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.251 -5.218 0.007 1.00 0.00 O ATOM 523 NE2 GLN A 32 2.796 -3.628 0.502 1.00 0.00 N ATOM 0 H GLN A 32 7.378 -1.949 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 32 8.243 -4.507 -0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.363 -4.396 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.039 -2.782 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.859 -2.192 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.155 -2.537 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.626 -2.639 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.022 -4.292 0.527 1.00 0.00 H new ATOM 532 N LEU A 33 5.920 -4.426 -2.548 1.00 0.00 N ATOM 533 CA LEU A 33 5.177 -5.253 -3.487 1.00 0.00 C ATOM 534 C LEU A 33 6.122 -6.151 -4.269 1.00 0.00 C ATOM 535 O LEU A 33 5.946 -7.366 -4.291 1.00 0.00 O ATOM 536 CB LEU A 33 4.321 -4.370 -4.427 1.00 0.00 C ATOM 537 CG LEU A 33 3.430 -5.088 -5.474 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.195 -5.343 -6.766 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.870 -6.399 -4.919 1.00 0.00 C ATOM 0 H LEU A 33 5.846 -3.423 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 33 4.497 -5.896 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.676 -3.747 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.993 -3.699 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 33 2.593 -4.427 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.544 -5.847 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.527 -4.393 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.061 -5.971 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.250 -6.879 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.693 -7.062 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.268 -6.192 -4.034 1.00 0.00 H new ATOM 551 N LEU A 34 7.157 -5.566 -4.874 1.00 0.00 N ATOM 552 CA LEU A 34 8.098 -6.358 -5.653 1.00 0.00 C ATOM 553 C LEU A 34 8.863 -7.315 -4.746 1.00 0.00 C ATOM 554 O LEU A 34 9.279 -8.394 -5.166 1.00 0.00 O ATOM 555 CB LEU A 34 9.054 -5.453 -6.480 1.00 0.00 C ATOM 556 CG LEU A 34 9.932 -4.452 -5.705 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.190 -5.120 -5.158 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.301 -3.273 -6.593 1.00 0.00 C ATOM 0 H LEU A 34 7.359 -4.567 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 34 7.534 -6.955 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.713 -6.100 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.452 -4.890 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 34 9.353 -4.088 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.786 -4.385 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.909 -5.928 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.775 -5.525 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.921 -2.575 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.853 -3.631 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.393 -2.768 -6.923 1.00 0.00 H new ATOM 570 N TYR A 35 9.009 -6.922 -3.485 1.00 0.00 N ATOM 571 CA TYR A 35 9.685 -7.738 -2.499 1.00 0.00 C ATOM 572 C TYR A 35 8.884 -9.008 -2.243 1.00 0.00 C ATOM 573 O TYR A 35 9.403 -10.123 -2.361 1.00 0.00 O ATOM 574 CB TYR A 35 9.891 -6.958 -1.191 1.00 0.00 C ATOM 575 CG TYR A 35 10.508 -7.775 -0.070 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.880 -8.005 -0.022 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.719 -8.314 0.939 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.442 -8.750 0.999 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.273 -9.059 1.961 1.00 0.00 C ATOM 580 CZ TYR A 35 11.634 -9.274 1.987 1.00 0.00 C ATOM 581 OH TYR A 35 12.189 -10.020 3.008 1.00 0.00 O ATOM 0 H TYR A 35 8.662 -6.033 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 35 10.667 -8.010 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.528 -6.097 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.928 -6.571 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.515 -7.596 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.652 -8.147 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.508 -8.921 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.643 -9.471 2.736 1.00 0.00 H new ATOM 0 HH TYR A 35 11.482 -10.313 3.620 1.00 0.00 H new ATOM 591 N LEU A 36 7.610 -8.829 -1.898 1.00 0.00 N ATOM 592 CA LEU A 36 6.720 -9.943 -1.618 1.00 0.00 C ATOM 593 C LEU A 36 6.475 -10.791 -2.862 1.00 0.00 C ATOM 594 O LEU A 36 6.269 -11.998 -2.760 1.00 0.00 O ATOM 595 CB LEU A 36 5.400 -9.444 -1.023 1.00 0.00 C ATOM 596 CG LEU A 36 5.515 -8.725 0.329 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.154 -8.255 0.807 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.157 -9.633 1.369 1.00 0.00 C ATOM 0 H LEU A 36 7.172 -7.912 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 36 7.208 -10.581 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.933 -8.766 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.729 -10.295 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 36 6.152 -7.851 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.260 -7.749 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.730 -7.565 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.492 -9.113 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.229 -9.104 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.547 -10.528 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.155 -9.919 1.036 1.00 0.00 H new ATOM 610 N GLN A 37 6.497 -10.154 -4.036 1.00 0.00 N ATOM 611 CA GLN A 37 6.322 -10.873 -5.300 1.00 0.00 C ATOM 612 C GLN A 37 7.416 -11.929 -5.473 1.00 0.00 C ATOM 613 O GLN A 37 7.160 -13.046 -5.944 1.00 0.00 O ATOM 614 CB GLN A 37 6.326 -9.901 -6.486 1.00 0.00 C ATOM 615 CG GLN A 37 5.046 -9.084 -6.613 1.00 0.00 C ATOM 616 CD GLN A 37 3.848 -9.919 -7.040 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.781 -11.119 -6.775 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.895 -9.292 -7.698 1.00 0.00 N ATOM 0 H GLN A 37 6.633 -9.148 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 37 5.355 -11.375 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.172 -9.221 -6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.479 -10.465 -7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.828 -8.609 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.202 -8.285 -7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.985 -8.296 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.067 -9.802 -8.006 1.00 0.00 H new ATOM 627 N HIS A 38 8.637 -11.575 -5.073 1.00 0.00 N ATOM 628 CA HIS A 38 9.755 -12.515 -5.114 1.00 0.00 C ATOM 629 C HIS A 38 9.518 -13.652 -4.129 1.00 0.00 C ATOM 630 O HIS A 38 9.862 -14.825 -4.390 1.00 0.00 O ATOM 631 CB HIS A 38 11.078 -11.810 -4.797 1.00 0.00 C ATOM 632 CG HIS A 38 11.681 -11.102 -5.970 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.568 -11.701 -6.827 1.00 0.00 N ATOM 634 CD2 HIS A 38 11.517 -9.839 -6.428 1.00 0.00 C ATOM 635 CE1 HIS A 38 12.925 -10.844 -7.760 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.302 -9.706 -7.541 1.00 0.00 N ATOM 0 H HIS A 38 8.876 -10.649 -4.719 1.00 0.00 H new ATOM 0 HA HIS A 38 9.821 -12.923 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.912 -11.090 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.790 -12.545 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.884 -9.078 -5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.613 -11.042 -8.569 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.390 -8.863 -8.108 1.00 0.00 H new ATOM 645 N GLN A 39 8.884 -13.314 -3.007 1.00 0.00 N ATOM 646 CA GLN A 39 8.581 -14.288 -1.985 1.00 0.00 C ATOM 647 C GLN A 39 7.533 -15.252 -2.497 1.00 0.00 C ATOM 648 O GLN A 39 7.612 -16.446 -2.258 1.00 0.00 O ATOM 649 CB GLN A 39 8.098 -13.608 -0.699 1.00 0.00 C ATOM 650 CG GLN A 39 9.133 -12.705 -0.039 1.00 0.00 C ATOM 651 CD GLN A 39 10.395 -13.450 0.356 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.348 -13.540 -0.418 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.407 -13.990 1.561 1.00 0.00 N ATOM 0 H GLN A 39 8.573 -12.367 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 39 9.492 -14.837 -1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.210 -13.018 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.797 -14.376 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.392 -11.897 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.695 -12.245 0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.596 -13.892 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.227 -14.505 1.881 1.00 0.00 H new ATOM 662 N LEU A 40 6.527 -14.702 -3.191 1.00 0.00 N ATOM 663 CA LEU A 40 5.483 -15.494 -3.834 1.00 0.00 C ATOM 664 C LEU A 40 6.080 -16.585 -4.714 1.00 0.00 C ATOM 665 O LEU A 40 5.642 -17.735 -4.662 1.00 0.00 O ATOM 666 CB LEU A 40 4.566 -14.588 -4.664 1.00 0.00 C ATOM 667 CG LEU A 40 3.495 -15.301 -5.503 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.528 -16.068 -4.613 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.746 -14.301 -6.369 1.00 0.00 C ATOM 0 H LEU A 40 6.419 -13.696 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 40 4.896 -15.975 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.067 -13.893 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.186 -13.992 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 40 3.995 -16.018 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.780 -16.564 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.076 -16.814 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.034 -15.376 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.991 -14.823 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.262 -13.559 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.447 -13.803 -7.039 1.00 0.00 H new ATOM 681 N ASP A 41 7.074 -16.225 -5.527 1.00 0.00 N ATOM 682 CA ASP A 41 7.744 -17.212 -6.378 1.00 0.00 C ATOM 683 C ASP A 41 8.326 -18.335 -5.531 1.00 0.00 C ATOM 684 O ASP A 41 8.204 -19.517 -5.870 1.00 0.00 O ATOM 685 CB ASP A 41 8.850 -16.566 -7.213 1.00 0.00 C ATOM 686 CG ASP A 41 9.638 -17.595 -8.005 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.180 -17.995 -9.099 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.712 -18.021 -7.531 1.00 0.00 O ATOM 0 H ASP A 41 7.430 -15.273 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 41 6.998 -17.624 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.411 -15.840 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.526 -16.017 -6.557 1.00 0.00 H new ATOM 693 N GLU A 42 8.938 -17.960 -4.417 1.00 0.00 N ATOM 694 CA GLU A 42 9.513 -18.932 -3.502 1.00 0.00 C ATOM 695 C GLU A 42 8.406 -19.791 -2.885 1.00 0.00 C ATOM 696 O GLU A 42 8.511 -21.018 -2.816 1.00 0.00 O ATOM 697 CB GLU A 42 10.304 -18.219 -2.410 1.00 0.00 C ATOM 698 CG GLU A 42 10.937 -19.145 -1.398 1.00 0.00 C ATOM 699 CD GLU A 42 11.792 -18.399 -0.411 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.271 -17.958 0.620 1.00 0.00 O ATOM 701 OE2 GLU A 42 13.003 -18.234 -0.680 1.00 0.00 O ATOM 0 H GLU A 42 9.049 -16.989 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 42 10.191 -19.582 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.086 -17.620 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.641 -17.528 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.156 -19.687 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.544 -19.887 -1.916 1.00 0.00 H new ATOM 708 N LEU A 43 7.343 -19.124 -2.455 1.00 0.00 N ATOM 709 CA LEU A 43 6.187 -19.783 -1.861 1.00 0.00 C ATOM 710 C LEU A 43 5.609 -20.830 -2.807 1.00 0.00 C ATOM 711 O LEU A 43 5.224 -21.905 -2.382 1.00 0.00 O ATOM 712 CB LEU A 43 5.106 -18.766 -1.492 1.00 0.00 C ATOM 713 CG LEU A 43 3.868 -19.340 -0.806 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.223 -19.904 0.555 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.776 -18.286 -0.691 1.00 0.00 C ATOM 0 H LEU A 43 7.258 -18.109 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 43 6.525 -20.281 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.547 -18.015 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.791 -18.252 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 43 3.485 -20.155 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.327 -20.308 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.961 -20.698 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.637 -19.113 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.904 -18.718 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.143 -17.444 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.497 -17.941 -1.687 1.00 0.00 H new ATOM 727 N ASN A 44 5.554 -20.503 -4.088 1.00 0.00 N ATOM 728 CA ASN A 44 5.056 -21.429 -5.114 1.00 0.00 C ATOM 729 C ASN A 44 5.873 -22.714 -5.143 1.00 0.00 C ATOM 730 O ASN A 44 5.327 -23.808 -5.255 1.00 0.00 O ATOM 731 CB ASN A 44 5.094 -20.759 -6.493 1.00 0.00 C ATOM 732 CG ASN A 44 3.816 -20.023 -6.835 1.00 0.00 C ATOM 733 OD1 ASN A 44 2.905 -20.593 -7.430 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.737 -18.762 -6.467 1.00 0.00 N ATOM 0 H ASN A 44 5.849 -19.597 -4.453 1.00 0.00 H new ATOM 0 HA ASN A 44 4.027 -21.685 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.929 -20.059 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.283 -21.517 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.897 -18.222 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.516 -18.325 -5.974 1.00 0.00 H new ATOM 741 N GLU A 45 7.175 -22.567 -5.002 1.00 0.00 N ATOM 742 CA GLU A 45 8.096 -23.689 -5.092 1.00 0.00 C ATOM 743 C GLU A 45 8.162 -24.480 -3.776 1.00 0.00 C ATOM 744 O GLU A 45 8.087 -25.710 -3.778 1.00 0.00 O ATOM 745 CB GLU A 45 9.482 -23.165 -5.467 1.00 0.00 C ATOM 746 CG GLU A 45 10.505 -24.241 -5.765 1.00 0.00 C ATOM 747 CD GLU A 45 11.857 -23.653 -6.087 1.00 0.00 C ATOM 748 OE1 GLU A 45 12.069 -23.238 -7.243 1.00 0.00 O ATOM 749 OE2 GLU A 45 12.708 -23.584 -5.183 1.00 0.00 O ATOM 0 H GLU A 45 7.626 -21.670 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 45 7.735 -24.373 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.388 -22.520 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.854 -22.545 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.593 -24.907 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.162 -24.846 -6.604 1.00 0.00 H new ATOM 756 N ASN A 46 8.277 -23.775 -2.666 1.00 0.00 N ATOM 757 CA ASN A 46 8.394 -24.424 -1.353 1.00 0.00 C ATOM 758 C ASN A 46 7.022 -24.930 -0.875 1.00 0.00 C ATOM 759 O ASN A 46 6.928 -25.923 -0.151 1.00 0.00 O ATOM 760 CB ASN A 46 9.007 -23.462 -0.329 1.00 0.00 C ATOM 761 CG ASN A 46 9.427 -24.162 0.954 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.772 -25.343 0.951 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.425 -23.436 2.049 1.00 0.00 N ATOM 0 H ASN A 46 8.293 -22.756 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 46 9.057 -25.283 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.874 -22.971 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.285 -22.681 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.716 -23.849 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.132 -22.460 2.013 1.00 0.00 H new ATOM 770 N LYS A 47 5.974 -24.211 -1.296 1.00 0.00 N ATOM 771 CA LYS A 47 4.570 -24.534 -0.952 1.00 0.00 C ATOM 772 C LYS A 47 4.388 -24.567 0.588 1.00 0.00 C ATOM 773 O LYS A 47 3.525 -25.265 1.113 1.00 0.00 O ATOM 774 CB LYS A 47 4.198 -25.904 -1.548 1.00 0.00 C ATOM 775 CG LYS A 47 2.712 -26.063 -1.889 1.00 0.00 C ATOM 776 CD LYS A 47 2.287 -25.233 -3.119 1.00 0.00 C ATOM 777 CE LYS A 47 2.563 -25.956 -4.449 1.00 0.00 C ATOM 778 NZ LYS A 47 4.013 -26.165 -4.718 1.00 0.00 N ATOM 0 H LYS A 47 6.069 -23.385 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 47 3.917 -23.766 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.785 -26.065 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.482 -26.684 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.497 -27.115 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.113 -25.763 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.223 -25.005 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.818 -24.281 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.060 -26.923 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.129 -25.378 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.149 -26.401 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.537 -25.295 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.367 -26.945 -4.128 1.00 0.00 H new ATOM 792 N SER A 48 5.226 -23.811 1.290 1.00 0.00 N ATOM 793 CA SER A 48 5.189 -23.761 2.752 1.00 0.00 C ATOM 794 C SER A 48 3.915 -23.097 3.274 1.00 0.00 C ATOM 795 O SER A 48 3.633 -21.940 2.961 1.00 0.00 O ATOM 796 CB SER A 48 6.422 -23.048 3.300 1.00 0.00 C ATOM 797 OG SER A 48 6.376 -22.964 4.715 1.00 0.00 O ATOM 0 H SER A 48 5.944 -23.221 0.870 1.00 0.00 H new ATOM 0 HA SER A 48 5.189 -24.792 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.321 -23.582 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.486 -22.046 2.875 1.00 0.00 H new ATOM 0 HG SER A 48 7.178 -22.505 5.042 1.00 0.00 H new ATOM 803 N LYS A 49 3.156 -23.835 4.080 1.00 0.00 N ATOM 804 CA LYS A 49 1.923 -23.324 4.678 1.00 0.00 C ATOM 805 C LYS A 49 2.189 -22.135 5.606 1.00 0.00 C ATOM 806 O LYS A 49 1.515 -21.108 5.521 1.00 0.00 O ATOM 807 CB LYS A 49 1.163 -24.445 5.439 1.00 0.00 C ATOM 808 CG LYS A 49 1.990 -25.228 6.464 1.00 0.00 C ATOM 809 CD LYS A 49 2.689 -26.437 5.842 1.00 0.00 C ATOM 810 CE LYS A 49 3.598 -27.132 6.850 1.00 0.00 C ATOM 811 NZ LYS A 49 4.349 -28.273 6.252 1.00 0.00 N ATOM 0 H LYS A 49 3.375 -24.798 4.336 1.00 0.00 H new ATOM 0 HA LYS A 49 1.294 -22.973 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.311 -23.998 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.763 -25.148 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.736 -24.568 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.340 -25.563 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.943 -27.142 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.275 -26.117 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.305 -26.409 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.999 -27.494 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.105 -28.570 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.700 -29.069 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.767 -27.977 5.347 1.00 0.00 H new ATOM 825 N GLU A 50 3.169 -22.283 6.482 1.00 0.00 N ATOM 826 CA GLU A 50 3.506 -21.226 7.423 1.00 0.00 C ATOM 827 C GLU A 50 4.006 -19.988 6.692 1.00 0.00 C ATOM 828 O GLU A 50 3.667 -18.863 7.065 1.00 0.00 O ATOM 829 CB GLU A 50 4.531 -21.701 8.457 1.00 0.00 C ATOM 830 CG GLU A 50 5.835 -22.209 7.864 1.00 0.00 C ATOM 831 CD GLU A 50 6.794 -22.696 8.922 1.00 0.00 C ATOM 832 OE1 GLU A 50 7.175 -21.892 9.800 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.181 -23.887 8.880 1.00 0.00 O ATOM 0 H GLU A 50 3.744 -23.122 6.562 1.00 0.00 H new ATOM 0 HA GLU A 50 2.595 -20.960 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.752 -20.877 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.084 -22.496 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.623 -23.020 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.306 -21.411 7.290 1.00 0.00 H new ATOM 840 N LEU A 51 4.803 -20.188 5.654 1.00 0.00 N ATOM 841 CA LEU A 51 5.279 -19.076 4.854 1.00 0.00 C ATOM 842 C LEU A 51 4.099 -18.335 4.233 1.00 0.00 C ATOM 843 O LEU A 51 4.051 -17.108 4.259 1.00 0.00 O ATOM 844 CB LEU A 51 6.230 -19.561 3.759 1.00 0.00 C ATOM 845 CG LEU A 51 6.901 -18.462 2.935 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.826 -17.625 3.809 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.657 -19.061 1.757 1.00 0.00 C ATOM 0 H LEU A 51 5.131 -21.104 5.349 1.00 0.00 H new ATOM 0 HA LEU A 51 5.826 -18.394 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.007 -20.170 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.675 -20.211 3.082 1.00 0.00 H new ATOM 0 HG LEU A 51 6.126 -17.806 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.294 -16.848 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.250 -17.163 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.597 -18.264 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.128 -18.263 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.423 -19.743 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.962 -19.606 1.118 1.00 0.00 H new ATOM 859 N GLN A 52 3.135 -19.092 3.711 1.00 0.00 N ATOM 860 CA GLN A 52 1.937 -18.509 3.105 1.00 0.00 C ATOM 861 C GLN A 52 1.200 -17.630 4.105 1.00 0.00 C ATOM 862 O GLN A 52 0.805 -16.504 3.786 1.00 0.00 O ATOM 863 CB GLN A 52 1.000 -19.610 2.594 1.00 0.00 C ATOM 864 CG GLN A 52 -0.359 -19.097 2.125 1.00 0.00 C ATOM 865 CD GLN A 52 -1.250 -20.198 1.598 1.00 0.00 C ATOM 866 OE1 GLN A 52 -0.776 -21.180 1.043 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.548 -20.057 1.791 1.00 0.00 N ATOM 0 H GLN A 52 3.160 -20.112 3.695 1.00 0.00 H new ATOM 0 HA GLN A 52 2.253 -17.894 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.485 -20.132 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.847 -20.341 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.859 -18.596 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.211 -18.351 1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.907 -19.224 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.192 -20.781 1.473 1.00 0.00 H new ATOM 876 N GLU A 53 1.043 -18.143 5.317 1.00 0.00 N ATOM 877 CA GLU A 53 0.337 -17.457 6.365 1.00 0.00 C ATOM 878 C GLU A 53 1.022 -16.137 6.727 1.00 0.00 C ATOM 879 O GLU A 53 0.366 -15.107 6.864 1.00 0.00 O ATOM 880 CB GLU A 53 0.252 -18.368 7.580 1.00 0.00 C ATOM 881 CG GLU A 53 -0.528 -17.789 8.718 1.00 0.00 C ATOM 882 CD GLU A 53 -0.539 -18.693 9.920 1.00 0.00 C ATOM 883 OE1 GLU A 53 0.531 -18.896 10.524 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.612 -19.225 10.262 1.00 0.00 O ATOM 0 H GLU A 53 1.409 -19.054 5.593 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.667 -17.214 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.204 -19.312 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.261 -18.596 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.101 -16.825 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.553 -17.603 8.396 1.00 0.00 H new ATOM 891 N LYS A 54 2.339 -16.170 6.885 1.00 0.00 N ATOM 892 CA LYS A 54 3.095 -14.957 7.208 1.00 0.00 C ATOM 893 C LYS A 54 3.021 -13.961 6.052 1.00 0.00 C ATOM 894 O LYS A 54 2.829 -12.762 6.266 1.00 0.00 O ATOM 895 CB LYS A 54 4.567 -15.292 7.502 1.00 0.00 C ATOM 896 CG LYS A 54 4.766 -16.323 8.601 1.00 0.00 C ATOM 897 CD LYS A 54 6.247 -16.659 8.834 1.00 0.00 C ATOM 898 CE LYS A 54 7.029 -15.499 9.458 1.00 0.00 C ATOM 899 NZ LYS A 54 7.507 -14.510 8.451 1.00 0.00 N ATOM 0 H LYS A 54 2.906 -17.013 6.797 1.00 0.00 H new ATOM 0 HA LYS A 54 2.650 -14.511 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.034 -15.658 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.087 -14.376 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.332 -15.949 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.227 -17.234 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.319 -17.531 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.707 -16.931 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.396 -14.991 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.885 -15.897 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.503 -14.276 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.422 -14.917 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.931 -13.646 8.512 1.00 0.00 H new ATOM 913 N ILE A 55 3.163 -14.470 4.839 1.00 0.00 N ATOM 914 CA ILE A 55 3.124 -13.626 3.650 1.00 0.00 C ATOM 915 C ILE A 55 1.783 -12.900 3.531 1.00 0.00 C ATOM 916 O ILE A 55 1.748 -11.682 3.389 1.00 0.00 O ATOM 917 CB ILE A 55 3.421 -14.417 2.348 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.877 -14.902 2.343 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.149 -13.551 1.119 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.254 -15.711 1.119 1.00 0.00 C ATOM 0 H ILE A 55 3.306 -15.462 4.649 1.00 0.00 H new ATOM 0 HA ILE A 55 3.917 -12.888 3.772 1.00 0.00 H new ATOM 0 HB ILE A 55 2.761 -15.284 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.537 -14.037 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.051 -15.507 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.363 -14.123 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.103 -13.244 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.787 -12.667 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.298 -16.016 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.621 -16.596 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.115 -15.104 0.225 1.00 0.00 H new ATOM 932 N ILE A 56 0.682 -13.643 3.623 1.00 0.00 N ATOM 933 CA ILE A 56 -0.645 -13.040 3.514 1.00 0.00 C ATOM 934 C ILE A 56 -0.937 -12.115 4.701 1.00 0.00 C ATOM 935 O ILE A 56 -1.620 -11.100 4.555 1.00 0.00 O ATOM 936 CB ILE A 56 -1.776 -14.109 3.360 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.115 -13.433 3.028 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.907 -14.962 4.618 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.251 -14.405 2.777 1.00 0.00 C ATOM 0 H ILE A 56 0.681 -14.652 3.771 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.638 -12.442 2.603 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.503 -14.767 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.391 -12.773 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.985 -12.806 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.701 -15.695 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.966 -15.478 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.148 -14.323 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.161 -13.850 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.999 -15.050 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.411 -15.015 3.666 1.00 0.00 H new ATOM 951 N ARG A 57 -0.390 -12.448 5.861 1.00 0.00 N ATOM 952 CA ARG A 57 -0.615 -11.661 7.055 1.00 0.00 C ATOM 953 C ARG A 57 0.063 -10.305 6.952 1.00 0.00 C ATOM 954 O ARG A 57 -0.580 -9.270 7.137 1.00 0.00 O ATOM 955 CB ARG A 57 -0.112 -12.403 8.285 1.00 0.00 C ATOM 956 CG ARG A 57 -1.025 -12.267 9.478 1.00 0.00 C ATOM 957 CD ARG A 57 -2.371 -12.908 9.197 1.00 0.00 C ATOM 958 NE ARG A 57 -3.311 -12.725 10.308 1.00 0.00 N ATOM 959 CZ ARG A 57 -4.242 -11.752 10.368 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.368 -10.876 9.371 1.00 0.00 N ATOM 961 NH2 ARG A 57 -5.048 -11.667 11.422 1.00 0.00 N ATOM 0 H ARG A 57 0.213 -13.260 5.996 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.689 -11.501 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.002 -13.459 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.877 -12.028 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.567 -12.737 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.162 -11.213 9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.795 -12.478 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.233 -13.973 9.011 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.256 -13.379 11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.758 -10.940 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.075 -10.142 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.962 -12.338 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.752 -10.931 11.467 1.00 0.00 H new ATOM 975 N GLU A 58 1.351 -10.305 6.642 1.00 0.00 N ATOM 976 CA GLU A 58 2.096 -9.066 6.517 1.00 0.00 C ATOM 977 C GLU A 58 1.559 -8.254 5.348 1.00 0.00 C ATOM 978 O GLU A 58 1.516 -7.021 5.398 1.00 0.00 O ATOM 979 CB GLU A 58 3.579 -9.359 6.320 1.00 0.00 C ATOM 980 CG GLU A 58 4.470 -8.146 6.445 1.00 0.00 C ATOM 981 CD GLU A 58 5.933 -8.505 6.381 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.397 -9.271 7.257 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.635 -8.018 5.472 1.00 0.00 O ATOM 0 H GLU A 58 1.899 -11.149 6.473 1.00 0.00 H new ATOM 0 HA GLU A 58 1.976 -8.488 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.892 -10.103 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.723 -9.802 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.235 -7.441 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.263 -7.641 7.388 1.00 0.00 H new ATOM 990 N LEU A 59 1.119 -8.954 4.319 1.00 0.00 N ATOM 991 CA LEU A 59 0.559 -8.334 3.135 1.00 0.00 C ATOM 992 C LEU A 59 -0.677 -7.524 3.508 1.00 0.00 C ATOM 993 O LEU A 59 -0.827 -6.367 3.109 1.00 0.00 O ATOM 994 CB LEU A 59 0.190 -9.417 2.120 1.00 0.00 C ATOM 995 CG LEU A 59 -0.330 -8.937 0.769 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.730 -8.133 0.046 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.762 -10.119 -0.072 1.00 0.00 C ATOM 0 H LEU A 59 1.141 -9.973 4.282 1.00 0.00 H new ATOM 0 HA LEU A 59 1.297 -7.664 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.071 -10.035 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.568 -10.060 2.568 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.193 -8.292 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.341 -7.799 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.003 -7.266 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.611 -8.754 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.132 -9.765 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.088 -10.782 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.554 -10.662 0.443 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.544 -8.142 4.303 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.795 -7.526 4.730 1.00 0.00 C ATOM 1011 C ASP A 60 -2.557 -6.302 5.611 1.00 0.00 C ATOM 1012 O ASP A 60 -3.207 -5.274 5.438 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.667 -8.545 5.467 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.022 -7.986 5.846 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.860 -7.774 4.936 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.271 -7.774 7.052 1.00 0.00 O ATOM 0 H ASP A 60 -1.399 -9.083 4.669 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.315 -7.190 3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.804 -9.424 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.150 -8.876 6.368 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.609 -6.407 6.544 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.317 -5.306 7.467 1.00 0.00 C ATOM 1023 C VAL A 61 -0.813 -4.071 6.719 1.00 0.00 C ATOM 1024 O VAL A 61 -1.300 -2.955 6.933 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.272 -5.721 8.538 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.050 -4.555 9.466 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.773 -6.912 9.339 1.00 0.00 C ATOM 0 H VAL A 61 -1.033 -7.237 6.681 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.254 -5.060 7.967 1.00 0.00 H new ATOM 0 HB VAL A 61 0.644 -6.009 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.784 -4.872 10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.456 -3.728 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.859 -4.231 9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.028 -7.189 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.705 -6.648 9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.946 -7.754 8.669 1.00 0.00 H new ATOM 1037 N VAL A 62 0.153 -4.274 5.833 1.00 0.00 N ATOM 1038 CA VAL A 62 0.713 -3.179 5.055 1.00 0.00 C ATOM 1039 C VAL A 62 -0.338 -2.615 4.099 1.00 0.00 C ATOM 1040 O VAL A 62 -0.373 -1.411 3.842 1.00 0.00 O ATOM 1041 CB VAL A 62 1.970 -3.622 4.264 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.581 -2.442 3.520 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.998 -4.242 5.203 1.00 0.00 C ATOM 0 H VAL A 62 0.564 -5.186 5.636 1.00 0.00 H new ATOM 0 HA VAL A 62 1.017 -2.400 5.754 1.00 0.00 H new ATOM 0 HB VAL A 62 1.667 -4.371 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.462 -2.775 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.850 -2.035 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.868 -1.671 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.875 -4.548 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.292 -3.510 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.563 -5.112 5.695 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.210 -3.473 3.602 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.279 -3.029 2.723 1.00 0.00 C ATOM 1055 C CYS A 63 -3.250 -2.141 3.492 1.00 0.00 C ATOM 1056 O CYS A 63 -3.673 -1.093 3.011 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.023 -4.226 2.133 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.378 -3.783 1.025 1.00 0.00 S ATOM 0 H CYS A 63 -1.201 -4.476 3.790 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.840 -2.457 1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.313 -4.849 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.419 -4.831 2.948 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.352 -3.267 1.715 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.542 -2.549 4.719 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.496 -1.860 5.571 1.00 0.00 C ATOM 1066 C ALA A 64 -4.004 -0.470 5.941 1.00 0.00 C ATOM 1067 O ALA A 64 -4.768 0.503 5.880 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.730 -2.675 6.825 1.00 0.00 C ATOM 0 H ALA A 64 -3.121 -3.371 5.152 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.431 -1.749 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.446 -2.160 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.125 -3.654 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.788 -2.799 7.359 1.00 0.00 H new ATOM 1074 N MET A 65 -2.739 -0.364 6.317 1.00 0.00 N ATOM 1075 CA MET A 65 -2.174 0.927 6.689 1.00 0.00 C ATOM 1076 C MET A 65 -2.132 1.858 5.477 1.00 0.00 C ATOM 1077 O MET A 65 -2.359 3.063 5.597 1.00 0.00 O ATOM 1078 CB MET A 65 -0.771 0.769 7.291 1.00 0.00 C ATOM 1079 CG MET A 65 0.301 0.404 6.284 1.00 0.00 C ATOM 1080 SD MET A 65 1.943 0.305 7.004 1.00 0.00 S ATOM 1081 CE MET A 65 1.721 -1.076 8.111 1.00 0.00 C ATOM 0 H MET A 65 -2.088 -1.147 6.373 1.00 0.00 H new ATOM 0 HA MET A 65 -2.817 1.368 7.450 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.491 1.702 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.804 0.001 8.064 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.052 -0.555 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.306 1.144 5.484 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.686 -0.716 9.139 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.788 -1.587 7.873 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.554 -1.770 7.998 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.855 1.289 4.307 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.810 2.063 3.077 1.00 0.00 C ATOM 1093 C ILE A 66 -3.202 2.564 2.698 1.00 0.00 C ATOM 1094 O ILE A 66 -3.363 3.720 2.322 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.159 1.257 1.899 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.315 1.654 1.727 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.916 1.451 0.582 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.192 1.376 2.942 1.00 0.00 C ATOM 0 H ILE A 66 -1.659 0.295 4.188 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.174 2.929 3.262 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.218 0.200 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.724 1.119 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.367 2.717 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.430 0.875 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.944 1.109 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.913 2.507 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.215 1.687 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.813 1.932 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.176 0.309 3.166 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.206 1.706 2.850 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.580 2.067 2.517 1.00 0.00 C ATOM 1112 C GLU A 67 -6.088 3.152 3.458 1.00 0.00 C ATOM 1113 O GLU A 67 -6.835 4.045 3.056 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.496 0.842 2.573 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.208 -0.195 1.497 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.111 -1.407 1.598 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.214 -1.389 1.004 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -6.728 -2.383 2.271 1.00 0.00 O ATOM 0 H GLU A 67 -4.094 0.755 3.202 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.591 2.454 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.398 0.372 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.531 1.170 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.329 0.263 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.169 -0.514 1.574 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.656 3.074 4.711 1.00 0.00 N ATOM 1126 CA GLY A 68 -6.066 4.041 5.700 1.00 0.00 C ATOM 1127 C GLY A 68 -5.498 5.415 5.425 1.00 0.00 C ATOM 1128 O GLY A 68 -6.223 6.418 5.436 1.00 0.00 O ATOM 0 H GLY A 68 -5.025 2.351 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.154 4.097 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.745 3.708 6.687 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.198 5.457 5.146 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.513 6.707 4.862 1.00 0.00 C ATOM 1134 C ALA A 69 -3.961 7.258 3.521 1.00 0.00 C ATOM 1135 O ALA A 69 -4.154 8.465 3.378 1.00 0.00 O ATOM 1136 CB ALA A 69 -2.005 6.504 4.880 1.00 0.00 C ATOM 0 H ALA A 69 -3.598 4.633 5.111 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.770 7.429 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.508 7.450 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.698 6.147 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.728 5.769 4.124 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.145 6.368 2.546 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.589 6.763 1.211 1.00 0.00 C ATOM 1144 C GLN A 70 -5.930 7.476 1.308 1.00 0.00 C ATOM 1145 O GLN A 70 -6.130 8.529 0.725 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.742 5.544 0.307 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.847 5.892 -1.155 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.519 4.813 -1.969 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.401 3.621 -1.679 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.253 5.225 -2.971 1.00 0.00 N ATOM 0 H GLN A 70 -3.993 5.366 2.657 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.838 7.429 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.889 4.882 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.631 4.989 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.405 6.822 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.848 6.072 -1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.323 6.222 -3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.755 4.549 -3.547 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.812 6.897 2.103 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.143 7.448 2.287 1.00 0.00 C ATOM 1161 C GLY A 71 -8.097 8.826 2.926 1.00 0.00 C ATOM 1162 O GLY A 71 -8.807 9.764 2.504 1.00 0.00 O ATOM 0 H GLY A 71 -6.630 6.044 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.648 7.511 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.732 6.776 2.912 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.217 8.956 3.910 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.075 10.181 4.670 1.00 0.00 C ATOM 1168 C ALA A 72 -6.535 11.309 3.798 1.00 0.00 C ATOM 1169 O ALA A 72 -7.169 12.371 3.662 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.171 9.956 5.874 1.00 0.00 C ATOM 0 H ALA A 72 -6.583 8.212 4.200 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.063 10.476 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.074 10.886 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.604 9.188 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.187 9.633 5.535 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.363 11.079 3.202 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.721 12.089 2.375 1.00 0.00 C ATOM 1178 C LEU A 73 -5.554 12.444 1.154 1.00 0.00 C ATOM 1179 O LEU A 73 -5.640 13.603 0.799 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.269 11.684 1.993 1.00 0.00 C ATOM 1181 CG LEU A 73 -3.066 10.333 1.274 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -3.318 10.451 -0.222 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.663 9.800 1.533 1.00 0.00 C ATOM 0 H LEU A 73 -4.845 10.204 3.279 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.651 12.994 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.859 12.468 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.673 11.671 2.906 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.794 9.630 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.166 9.481 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.343 10.781 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.627 11.176 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.535 8.847 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.928 10.514 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.520 9.657 2.604 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.192 11.445 0.544 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.023 11.655 -0.650 1.00 0.00 C ATOM 1197 C GLU A 74 -8.102 12.709 -0.381 1.00 0.00 C ATOM 1198 O GLU A 74 -8.197 13.721 -1.087 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.645 10.302 -1.064 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.780 10.353 -2.078 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.380 10.917 -3.420 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -7.503 10.337 -4.074 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.988 11.920 -3.844 1.00 0.00 O ATOM 0 H GLU A 74 -6.151 10.475 0.857 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.408 12.030 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.853 9.674 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.014 9.808 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.171 9.346 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.591 10.955 -1.670 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.879 12.490 0.667 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.950 13.416 1.021 1.00 0.00 C ATOM 1212 C ARG A 75 -9.406 14.798 1.374 1.00 0.00 C ATOM 1213 O ARG A 75 -10.045 15.813 1.082 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.793 12.849 2.160 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.530 11.586 1.769 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.301 10.992 2.929 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.996 9.772 2.526 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.338 8.784 3.350 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -13.091 8.880 4.650 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -13.935 7.700 2.869 1.00 0.00 N ATOM 0 H ARG A 75 -8.792 11.684 1.287 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.590 13.536 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.149 12.639 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.514 13.601 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.218 11.807 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.816 10.852 1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.618 10.772 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.022 11.719 3.301 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.237 9.670 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.637 9.714 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.355 8.120 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.130 7.626 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.198 6.941 3.498 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.234 14.846 1.980 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.646 16.120 2.369 1.00 0.00 C ATOM 1236 C GLU A 76 -7.060 16.866 1.167 1.00 0.00 C ATOM 1237 O GLU A 76 -7.437 18.014 0.912 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.577 15.925 3.447 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.984 17.227 3.961 1.00 0.00 C ATOM 1240 CD GLU A 76 -5.095 17.029 5.164 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -5.630 16.943 6.293 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -3.861 16.966 4.998 1.00 0.00 O ATOM 0 H GLU A 76 -7.673 14.027 2.213 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.449 16.731 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.013 15.379 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.776 15.305 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.410 17.699 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.792 17.912 4.220 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.159 16.221 0.422 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.515 16.859 -0.727 1.00 0.00 C ATOM 1251 C LEU A 77 -6.516 17.348 -1.753 1.00 0.00 C ATOM 1252 O LEU A 77 -6.247 18.296 -2.485 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.447 15.921 -1.373 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.887 14.510 -1.826 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.734 14.551 -3.089 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.666 13.626 -2.041 1.00 0.00 C ATOM 0 H LEU A 77 -5.860 15.261 0.593 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.999 17.742 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.035 16.435 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.633 15.802 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.506 14.090 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.019 13.537 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.631 15.143 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.160 15.002 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.986 12.634 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.029 14.066 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.107 13.544 -1.109 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.683 16.738 -1.775 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.694 17.111 -2.728 1.00 0.00 C ATOM 1270 C LYS A 78 -9.260 18.497 -2.434 1.00 0.00 C ATOM 1271 O LYS A 78 -9.639 19.233 -3.342 1.00 0.00 O ATOM 1272 CB LYS A 78 -9.797 16.074 -2.780 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.501 14.963 -3.768 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.520 15.476 -5.204 1.00 0.00 C ATOM 1275 CE LYS A 78 -8.689 14.596 -6.126 1.00 0.00 C ATOM 1276 NZ LYS A 78 -9.130 13.183 -6.111 1.00 0.00 N ATOM 0 H LYS A 78 -7.950 15.983 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.220 17.153 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.936 15.646 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.735 16.558 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.526 14.529 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.237 14.167 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.548 15.512 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.137 16.496 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.751 14.982 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.642 14.650 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.578 12.640 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.983 12.784 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.139 13.132 -6.356 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.299 18.846 -1.156 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.888 20.104 -0.719 1.00 0.00 C ATOM 1292 C ARG A 79 -8.997 21.286 -1.103 1.00 0.00 C ATOM 1293 O ARG A 79 -9.484 22.391 -1.352 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.134 20.061 0.805 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.127 21.102 1.324 1.00 0.00 C ATOM 1296 CD ARG A 79 -10.481 22.461 1.547 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.476 23.488 1.838 1.00 0.00 N ATOM 1298 CZ ARG A 79 -11.301 24.499 2.688 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -10.153 24.638 3.345 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -12.274 25.373 2.874 1.00 0.00 N ATOM 0 H ARG A 79 -8.927 18.272 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.845 20.241 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.497 19.069 1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.182 20.201 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.946 21.205 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.561 20.751 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.772 22.396 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.913 22.744 0.661 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.372 23.427 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.398 23.968 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.028 25.415 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.154 25.272 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.145 26.149 3.524 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.843 22.069 -13.330 1.00 0.00 N ATOM 1393 CA LEU A 85 -1.664 21.223 -13.271 1.00 0.00 C ATOM 1394 C LEU A 85 -1.726 20.322 -12.051 1.00 0.00 C ATOM 1395 O LEU A 85 -1.458 19.122 -12.130 1.00 0.00 O ATOM 1396 CB LEU A 85 -0.403 22.091 -13.218 1.00 0.00 C ATOM 1397 CG LEU A 85 0.926 21.342 -13.168 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.181 20.605 -14.474 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.064 22.298 -12.854 1.00 0.00 C ATOM 0 HA LEU A 85 -1.631 20.600 -14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.397 22.742 -14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.467 22.736 -12.341 1.00 0.00 H new ATOM 0 HG LEU A 85 0.872 20.601 -12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.134 20.079 -14.415 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.380 19.887 -14.649 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.212 21.321 -15.296 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.004 21.747 -12.822 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.119 23.065 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.887 22.769 -11.887 1.00 0.00 H new ATOM 1411 N GLU A 86 -2.072 20.913 -10.928 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.202 20.201 -9.676 1.00 0.00 C ATOM 1413 C GLU A 86 -3.239 19.081 -9.790 1.00 0.00 C ATOM 1414 O GLU A 86 -2.997 17.960 -9.343 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.570 21.173 -8.543 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.419 22.084 -8.073 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.919 23.072 -9.128 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -1.651 23.350 -10.096 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.206 23.590 -8.971 1.00 0.00 O ATOM 0 H GLU A 86 -2.273 21.911 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.241 19.744 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.398 21.799 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.929 20.596 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.750 22.643 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.585 21.459 -7.755 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.373 19.383 -10.427 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.429 18.387 -10.621 1.00 0.00 C ATOM 1428 C ARG A 87 -4.905 17.191 -11.396 1.00 0.00 C ATOM 1429 O ARG A 87 -5.146 16.039 -11.031 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.654 18.978 -11.333 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.531 19.844 -10.443 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.842 20.199 -11.121 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.649 21.090 -12.268 1.00 0.00 N ATOM 1434 CZ ARG A 87 -9.207 20.910 -13.470 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.962 19.843 -13.709 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.007 21.802 -14.430 1.00 0.00 N ATOM 0 H ARG A 87 -4.583 20.303 -10.815 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.745 18.060 -9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.316 19.573 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.256 18.163 -11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.734 19.318 -9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.996 20.758 -10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.337 19.286 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.504 20.677 -10.399 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.047 21.904 -12.141 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.119 19.154 -12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.384 19.713 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.429 22.623 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.431 21.667 -15.348 1.00 0.00 H new ATOM 1450 N PHE A 88 -4.166 17.488 -12.464 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.584 16.465 -13.320 1.00 0.00 C ATOM 1452 C PHE A 88 -2.543 15.634 -12.561 1.00 0.00 C ATOM 1453 O PHE A 88 -2.461 14.418 -12.735 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.959 17.126 -14.557 1.00 0.00 C ATOM 1455 CG PHE A 88 -2.274 16.169 -15.488 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -2.997 15.203 -16.170 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -0.906 16.241 -15.685 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -2.366 14.327 -17.028 1.00 0.00 C ATOM 1459 CE2 PHE A 88 -0.271 15.367 -16.542 1.00 0.00 C ATOM 1460 CZ PHE A 88 -1.001 14.410 -17.215 1.00 0.00 C ATOM 0 H PHE A 88 -3.957 18.442 -12.756 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.373 15.785 -13.639 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.739 17.653 -15.106 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.238 17.875 -14.229 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.066 15.136 -16.028 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.330 16.990 -15.162 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.939 13.577 -17.553 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.797 15.432 -16.686 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.505 13.726 -17.888 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.765 16.295 -11.711 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.740 15.613 -10.918 1.00 0.00 C ATOM 1472 C ASN A 89 -1.382 14.663 -9.921 1.00 0.00 C ATOM 1473 O ASN A 89 -1.000 13.499 -9.823 1.00 0.00 O ATOM 1474 CB ASN A 89 0.152 16.622 -10.187 1.00 0.00 C ATOM 1475 CG ASN A 89 1.320 17.092 -11.031 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.402 16.507 -10.990 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.115 18.143 -11.801 1.00 0.00 N ATOM 0 H ASN A 89 -1.822 17.301 -11.551 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.116 15.037 -11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.447 17.483 -9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.531 16.169 -9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.868 18.498 -12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.203 18.601 -11.807 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.348 15.176 -9.177 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.099 14.378 -8.214 1.00 0.00 C ATOM 1486 C TYR A 90 -3.718 13.160 -8.892 1.00 0.00 C ATOM 1487 O TYR A 90 -3.577 12.037 -8.419 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.193 15.235 -7.574 1.00 0.00 C ATOM 1489 CG TYR A 90 -3.701 16.232 -6.540 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.400 16.732 -6.560 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -4.551 16.677 -5.546 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -1.974 17.643 -5.619 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.131 17.585 -4.601 1.00 0.00 C ATOM 1494 CZ TYR A 90 -2.844 18.068 -4.639 1.00 0.00 C ATOM 1495 OH TYR A 90 -2.422 18.978 -3.697 1.00 0.00 O ATOM 0 H TYR A 90 -2.635 16.154 -9.221 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.415 14.030 -7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.716 15.778 -8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.922 14.576 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.715 16.400 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.564 16.305 -5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.963 18.022 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.811 17.918 -3.831 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.200 19.353 -3.233 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.380 13.403 -10.016 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.028 12.347 -10.791 1.00 0.00 C ATOM 1507 C GLU A 91 -4.006 11.277 -11.190 1.00 0.00 C ATOM 1508 O GLU A 91 -4.269 10.078 -11.090 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.701 12.958 -12.027 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.844 12.120 -12.615 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.383 10.833 -13.283 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.848 10.906 -14.411 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -6.578 9.750 -12.701 1.00 0.00 O ATOM 0 H GLU A 91 -4.484 14.335 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.793 11.866 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.089 13.942 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.945 13.109 -12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.547 11.873 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.386 12.723 -13.344 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.821 11.716 -11.602 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.779 10.797 -12.022 1.00 0.00 C ATOM 1522 C GLU A 92 -1.281 9.968 -10.836 1.00 0.00 C ATOM 1523 O GLU A 92 -0.985 8.777 -10.974 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.629 11.553 -12.685 1.00 0.00 C ATOM 1525 CG GLU A 92 0.425 10.653 -13.305 1.00 0.00 C ATOM 1526 CD GLU A 92 1.443 11.425 -14.105 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.413 11.928 -13.512 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.277 11.536 -15.342 1.00 0.00 O ATOM 0 H GLU A 92 -2.562 12.701 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.200 10.112 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.035 12.206 -13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.154 12.194 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.933 10.097 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.061 9.921 -13.950 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.208 10.605 -9.665 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.798 9.923 -8.447 1.00 0.00 C ATOM 1537 C ALA A 93 -1.819 8.853 -8.099 1.00 0.00 C ATOM 1538 O ALA A 93 -1.471 7.738 -7.689 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.649 10.917 -7.302 1.00 0.00 C ATOM 0 H ALA A 93 -1.429 11.593 -9.540 1.00 0.00 H new ATOM 0 HA ALA A 93 0.171 9.451 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.342 10.389 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.105 11.661 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.603 11.414 -7.125 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.094 9.206 -8.276 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.198 8.284 -8.058 1.00 0.00 C ATOM 1547 C GLN A 94 -4.081 7.117 -9.018 1.00 0.00 C ATOM 1548 O GLN A 94 -4.335 5.975 -8.658 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.534 8.992 -8.280 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.794 10.146 -7.329 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.988 10.984 -7.744 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -7.040 12.184 -7.483 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.952 10.363 -8.399 1.00 0.00 N ATOM 0 H GLN A 94 -3.384 10.137 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.156 7.922 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.569 9.365 -9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.339 8.264 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.960 9.755 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.908 10.780 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.873 9.366 -8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.775 10.881 -8.707 1.00 0.00 H new ATOM 1562 N THR A 95 -3.680 7.418 -10.239 1.00 0.00 N ATOM 1563 CA THR A 95 -3.502 6.405 -11.250 1.00 0.00 C ATOM 1564 C THR A 95 -2.510 5.339 -10.776 1.00 0.00 C ATOM 1565 O THR A 95 -2.809 4.141 -10.810 1.00 0.00 O ATOM 1566 CB THR A 95 -2.983 7.010 -12.575 1.00 0.00 C ATOM 1567 OG1 THR A 95 -3.890 8.022 -13.058 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.817 5.926 -13.628 1.00 0.00 C ATOM 0 H THR A 95 -3.471 8.366 -10.552 1.00 0.00 H new ATOM 0 HA THR A 95 -4.479 5.954 -11.424 1.00 0.00 H new ATOM 0 HB THR A 95 -2.012 7.467 -12.381 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.969 8.736 -12.391 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.451 6.371 -14.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.102 5.182 -13.275 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.779 5.447 -13.811 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.347 5.779 -10.292 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.304 4.857 -9.872 1.00 0.00 C ATOM 1578 C LEU A 96 -0.708 4.078 -8.628 1.00 0.00 C ATOM 1579 O LEU A 96 -0.424 2.886 -8.517 1.00 0.00 O ATOM 1580 CB LEU A 96 1.016 5.593 -9.622 1.00 0.00 C ATOM 1581 CG LEU A 96 1.592 6.363 -10.817 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.878 7.074 -10.427 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.836 5.426 -11.994 1.00 0.00 C ATOM 0 H LEU A 96 -1.109 6.765 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.161 4.147 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.869 6.294 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.758 4.866 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 96 0.863 7.114 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.271 7.614 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.674 7.777 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.612 6.341 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.245 5.992 -12.831 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.543 4.650 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.895 4.965 -12.293 1.00 0.00 H new ATOM 1595 N SER A 97 -1.375 4.749 -7.693 1.00 0.00 N ATOM 1596 CA SER A 97 -1.800 4.098 -6.467 1.00 0.00 C ATOM 1597 C SER A 97 -2.794 2.975 -6.756 1.00 0.00 C ATOM 1598 O SER A 97 -2.716 1.895 -6.175 1.00 0.00 O ATOM 1599 CB SER A 97 -2.364 5.114 -5.468 1.00 0.00 C ATOM 1600 OG SER A 97 -3.204 6.049 -6.107 1.00 0.00 O ATOM 0 H SER A 97 -1.629 5.734 -7.763 1.00 0.00 H new ATOM 0 HA SER A 97 -0.923 3.644 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.922 4.592 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.544 5.636 -4.975 1.00 0.00 H new ATOM 0 HG SER A 97 -3.556 5.660 -6.935 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.721 3.242 -7.683 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.712 2.250 -8.089 1.00 0.00 C ATOM 1608 C LYS A 98 -4.019 1.026 -8.653 1.00 0.00 C ATOM 1609 O LYS A 98 -4.367 -0.109 -8.323 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.681 2.827 -9.129 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.552 3.979 -8.626 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.807 3.503 -7.892 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.486 2.762 -6.595 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.699 2.494 -5.789 1.00 0.00 N ATOM 0 H LYS A 98 -3.802 4.138 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.288 1.967 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.106 3.173 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.331 2.027 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.963 4.607 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.846 4.601 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.440 4.362 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.380 2.848 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.992 1.819 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.783 3.352 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.433 1.990 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.157 3.394 -5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.360 1.909 -6.340 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.027 1.268 -9.498 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.248 0.196 -10.085 1.00 0.00 C ATOM 1630 C ILE A 99 -1.569 -0.618 -8.983 1.00 0.00 C ATOM 1631 O ILE A 99 -1.587 -1.853 -8.996 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.172 0.750 -11.053 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.837 1.540 -12.186 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.321 -0.385 -11.618 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.856 2.247 -13.099 1.00 0.00 C ATOM 0 H ILE A 99 -2.744 2.203 -9.791 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.927 -0.442 -10.651 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.517 1.421 -10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.447 0.860 -12.781 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.513 2.278 -11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.428 0.025 -12.295 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.176 -0.909 -10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.959 -1.082 -12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.403 2.784 -13.875 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.263 2.953 -12.518 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.196 1.513 -13.562 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.000 0.100 -8.016 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.299 -0.501 -6.890 1.00 0.00 C ATOM 1649 C LEU A 100 -1.210 -1.412 -6.063 1.00 0.00 C ATOM 1650 O LEU A 100 -0.877 -2.567 -5.810 1.00 0.00 O ATOM 1651 CB LEU A 100 0.300 0.592 -6.001 1.00 0.00 C ATOM 1652 CG LEU A 100 1.054 0.107 -4.763 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.261 -0.731 -5.160 1.00 0.00 C ATOM 1654 CD2 LEU A 100 1.478 1.289 -3.907 1.00 0.00 C ATOM 0 H LEU A 100 -1.014 1.120 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 100 0.500 -1.121 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.980 1.192 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.505 1.252 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 100 0.385 -0.522 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.783 -1.065 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.930 -1.598 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.936 -0.131 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.014 0.929 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.130 1.943 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.595 1.844 -3.591 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.367 -0.887 -5.652 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.319 -1.657 -4.849 1.00 0.00 C ATOM 1668 C LEU A 101 -3.854 -2.846 -5.631 1.00 0.00 C ATOM 1669 O LEU A 101 -4.065 -3.923 -5.066 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.488 -0.777 -4.360 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.269 0.018 -3.055 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -3.897 -0.909 -1.909 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.221 1.106 -3.231 1.00 0.00 C ATOM 0 H LEU A 101 -2.666 0.065 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.781 -2.025 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.732 -0.068 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.360 -1.417 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.212 0.506 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.748 -0.324 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.699 -1.630 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.977 -1.439 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.094 1.644 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.273 0.654 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.544 1.801 -4.006 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.088 -2.656 -6.925 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.548 -3.739 -7.775 1.00 0.00 C ATOM 1687 C LYS A 102 -3.501 -4.848 -7.842 1.00 0.00 C ATOM 1688 O LYS A 102 -3.823 -6.017 -7.620 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.857 -3.223 -9.179 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.426 -4.273 -10.117 1.00 0.00 C ATOM 1691 CD LYS A 102 -5.681 -3.703 -11.505 1.00 0.00 C ATOM 1692 CE LYS A 102 -4.384 -3.298 -12.196 1.00 0.00 C ATOM 1693 NZ LYS A 102 -3.498 -4.460 -12.441 1.00 0.00 N ATOM 0 H LYS A 102 -3.966 -1.764 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.462 -4.147 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.565 -2.398 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.943 -2.820 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.733 -5.112 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.357 -4.663 -9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.201 -4.444 -12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.338 -2.837 -11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.615 -2.812 -13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.860 -2.566 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.740 -4.186 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.080 -4.774 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.051 -5.237 -12.855 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.248 -4.489 -8.134 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.179 -5.490 -8.219 1.00 0.00 C ATOM 1709 C ASP A 103 -0.991 -6.154 -6.869 1.00 0.00 C ATOM 1710 O ASP A 103 -0.712 -7.354 -6.785 1.00 0.00 O ATOM 1711 CB ASP A 103 0.148 -4.860 -8.670 1.00 0.00 C ATOM 1712 CG ASP A 103 1.091 -5.879 -9.293 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.860 -6.529 -8.558 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.062 -6.033 -10.539 1.00 0.00 O ATOM 0 H ASP A 103 -1.951 -3.530 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.473 -6.232 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.055 -4.068 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.635 -4.394 -7.814 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.178 -5.379 -5.803 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.052 -5.865 -4.449 1.00 0.00 C ATOM 1721 C LEU A 104 -2.112 -6.946 -4.184 1.00 0.00 C ATOM 1722 O LEU A 104 -1.793 -8.053 -3.748 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.229 -4.655 -3.494 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.806 -4.817 -2.030 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -1.770 -5.704 -1.270 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.616 -5.343 -1.941 1.00 0.00 C ATOM 0 H LEU A 104 -1.423 -4.391 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.074 -6.318 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.669 -3.818 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.282 -4.373 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.834 -3.834 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.440 -5.797 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.767 -5.263 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.798 -6.691 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.899 -5.452 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.677 -6.312 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.294 -4.643 -2.429 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.372 -6.605 -4.445 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.482 -7.544 -4.270 1.00 0.00 C ATOM 1740 C LYS A 105 -4.334 -8.772 -5.158 1.00 0.00 C ATOM 1741 O LYS A 105 -4.760 -9.868 -4.785 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.826 -6.860 -4.518 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.555 -6.451 -3.242 1.00 0.00 C ATOM 1744 CD LYS A 105 -5.698 -5.566 -2.353 1.00 0.00 C ATOM 1745 CE LYS A 105 -6.423 -5.195 -1.068 1.00 0.00 C ATOM 1746 NZ LYS A 105 -6.779 -6.390 -0.254 1.00 0.00 N ATOM 0 H LYS A 105 -3.652 -5.683 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.453 -7.882 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.664 -5.974 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.465 -7.533 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.472 -5.923 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.847 -7.344 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.769 -6.082 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.427 -4.659 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.793 -4.530 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.330 -4.641 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.836 -6.122 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.699 -6.761 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.051 -7.123 -0.376 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.731 -8.597 -6.328 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.486 -9.719 -7.218 1.00 0.00 C ATOM 1762 C GLU A 106 -2.504 -10.682 -6.557 1.00 0.00 C ATOM 1763 O GLU A 106 -2.627 -11.901 -6.680 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.938 -9.238 -8.565 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.759 -10.355 -9.579 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.183 -9.876 -10.888 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.961 -9.449 -11.763 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -0.946 -9.940 -11.056 1.00 0.00 O ATOM 0 H GLU A 106 -3.406 -7.696 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.428 -10.234 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.614 -8.489 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.978 -8.747 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.105 -11.119 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.723 -10.828 -9.764 1.00 0.00 H new ATOM 1775 N THR A 107 -1.549 -10.116 -5.834 1.00 0.00 N ATOM 1776 CA THR A 107 -0.572 -10.893 -5.101 1.00 0.00 C ATOM 1777 C THR A 107 -1.282 -11.690 -4.004 1.00 0.00 C ATOM 1778 O THR A 107 -1.050 -12.888 -3.840 1.00 0.00 O ATOM 1779 CB THR A 107 0.495 -9.977 -4.468 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.035 -9.108 -5.469 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.622 -10.798 -3.853 1.00 0.00 C ATOM 0 H THR A 107 -1.433 -9.107 -5.742 1.00 0.00 H new ATOM 0 HA THR A 107 -0.074 -11.573 -5.793 1.00 0.00 H new ATOM 0 HB THR A 107 0.021 -9.391 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.358 -8.449 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.362 -10.129 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.217 -11.450 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.095 -11.403 -4.626 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.149 -11.002 -3.258 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.980 -11.603 -2.213 1.00 0.00 C ATOM 1791 C GLU A 108 -3.729 -12.825 -2.744 1.00 0.00 C ATOM 1792 O GLU A 108 -3.719 -13.889 -2.127 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.978 -10.545 -1.723 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.896 -10.987 -0.599 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.963 -9.948 -0.302 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -5.608 -8.822 0.111 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.166 -10.246 -0.506 1.00 0.00 O ATOM 0 H GLU A 108 -2.295 -9.998 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.346 -11.936 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.420 -9.670 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.591 -10.230 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.372 -11.930 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.308 -11.171 0.300 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.378 -12.662 -3.879 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.101 -13.751 -4.503 1.00 0.00 C ATOM 1806 C GLN A 109 -4.167 -14.916 -4.834 1.00 0.00 C ATOM 1807 O GLN A 109 -4.524 -16.070 -4.666 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.793 -13.277 -5.769 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.740 -14.300 -6.359 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.201 -13.931 -7.747 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -6.585 -14.321 -8.743 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -8.269 -13.167 -7.828 1.00 0.00 N ATOM 0 H GLN A 109 -4.419 -11.780 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.851 -14.098 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.347 -12.364 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.038 -13.021 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.246 -15.271 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.608 -14.405 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.748 -12.868 -6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.618 -12.874 -8.740 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.971 -14.596 -5.291 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.009 -15.614 -5.685 1.00 0.00 C ATOM 1823 C LYS A 110 -1.436 -16.380 -4.485 1.00 0.00 C ATOM 1824 O LYS A 110 -1.323 -17.612 -4.514 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.910 -15.004 -6.554 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.425 -14.584 -7.923 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.401 -13.791 -8.718 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.941 -13.467 -10.107 1.00 0.00 C ATOM 1829 NZ LYS A 110 -0.029 -12.591 -10.883 1.00 0.00 N ATOM 0 H LYS A 110 -2.640 -13.637 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.541 -16.354 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.486 -14.138 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.104 -15.727 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.709 -15.472 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.326 -13.984 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.158 -12.868 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.523 -14.362 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.102 -14.395 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.912 -12.981 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.043 -12.874 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.342 -11.603 -10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.938 -12.681 -10.512 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.090 -15.655 -3.421 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.569 -16.289 -2.222 1.00 0.00 C ATOM 1845 C VAL A 111 -1.613 -17.227 -1.607 1.00 0.00 C ATOM 1846 O VAL A 111 -1.287 -18.318 -1.158 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.065 -15.254 -1.167 1.00 0.00 C ATOM 1848 CG1 VAL A 111 1.070 -14.421 -1.731 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -1.183 -14.356 -0.673 1.00 0.00 C ATOM 0 H VAL A 111 -1.162 -14.639 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 111 0.297 -16.877 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 111 0.304 -15.821 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.406 -13.707 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.898 -15.074 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.723 -13.883 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.788 -13.652 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.606 -13.806 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.960 -14.964 -0.209 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.871 -16.792 -1.607 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.969 -17.613 -1.105 1.00 0.00 C ATOM 1861 C LYS A 112 -4.352 -18.690 -2.128 1.00 0.00 C ATOM 1862 O LYS A 112 -5.078 -19.635 -1.813 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.179 -16.729 -0.783 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.932 -16.237 -2.011 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.797 -15.024 -1.708 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.816 -15.298 -0.623 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.713 -16.438 -0.957 1.00 0.00 N ATOM 0 H LYS A 112 -3.155 -15.874 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.642 -18.111 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.866 -17.289 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.843 -15.867 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.218 -15.985 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.559 -17.041 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.160 -14.194 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.313 -14.713 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.298 -15.510 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.417 -14.403 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.464 -16.510 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.139 -16.282 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.163 -17.320 -0.971 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.884 -18.515 -3.355 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.141 -19.466 -4.440 1.00 0.00 C ATOM 1883 C ASP A 113 -3.305 -20.730 -4.269 1.00 0.00 C ATOM 1884 O ASP A 113 -3.725 -21.821 -4.665 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.850 -18.820 -5.801 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.055 -19.760 -6.964 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.220 -20.063 -7.295 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.049 -20.183 -7.575 1.00 0.00 O ATOM 0 H ASP A 113 -3.316 -17.714 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.194 -19.744 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.495 -17.950 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.822 -18.459 -5.812 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.131 -20.589 -3.663 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.259 -21.742 -3.403 1.00 0.00 C ATOM 1895 C ILE A 114 -1.915 -22.675 -2.377 1.00 0.00 C ATOM 1896 O ILE A 114 -2.312 -22.244 -1.290 1.00 0.00 O ATOM 1897 CB ILE A 114 0.157 -21.280 -2.890 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.142 -21.114 -4.054 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.729 -22.235 -1.856 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.752 -20.044 -5.040 1.00 0.00 C ATOM 0 H ILE A 114 -1.758 -19.696 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.119 -22.281 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 114 0.014 -20.312 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.128 -20.881 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.229 -22.064 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.706 -21.877 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.058 -22.288 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.834 -23.227 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.499 -19.989 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.219 -20.285 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.693 -19.083 -4.530 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.078 -23.945 -2.752 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.654 -24.937 -1.854 1.00 0.00 C ATOM 1914 C GLN A 115 -1.597 -25.417 -0.863 1.00 0.00 C ATOM 1915 O GLN A 115 -0.536 -25.910 -1.261 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.232 -26.129 -2.650 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.206 -26.900 -3.476 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.830 -27.958 -4.373 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -2.297 -28.280 -5.435 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -3.954 -28.508 -3.955 1.00 0.00 N ATOM 0 H GLN A 115 -1.819 -24.306 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.472 -24.473 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.709 -26.818 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.012 -25.760 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.643 -26.198 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.493 -27.378 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.366 -28.215 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.411 -29.226 -4.518 1.00 0.00 H new ATOM 1929 N THR A 116 -1.865 -25.266 0.409 1.00 0.00 N ATOM 1930 CA THR A 116 -0.937 -25.685 1.432 1.00 0.00 C ATOM 1931 C THR A 116 -1.628 -26.589 2.459 1.00 0.00 C ATOM 1932 O THR A 116 -2.720 -27.094 2.204 1.00 0.00 O ATOM 1933 CB THR A 116 -0.321 -24.458 2.115 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.323 -23.453 2.314 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.812 -23.897 1.274 1.00 0.00 C ATOM 0 H THR A 116 -2.727 -24.852 0.765 1.00 0.00 H new ATOM 0 HA THR A 116 -0.140 -26.262 0.963 1.00 0.00 H new ATOM 0 HB THR A 116 0.078 -24.762 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.158 -22.702 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.239 -23.027 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.583 -24.657 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.429 -23.604 0.297 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.999 -26.788 3.611 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.585 -27.606 4.662 1.00 0.00 C ATOM 1945 C GLN A 117 -2.295 -26.729 5.683 1.00 0.00 C ATOM 1946 O GLN A 117 -3.535 -26.624 5.615 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.529 -28.462 5.348 1.00 0.00 C ATOM 1948 CG GLN A 117 0.164 -29.438 4.418 1.00 0.00 C ATOM 1949 CD GLN A 117 1.252 -30.221 5.109 1.00 0.00 C ATOM 1950 OE1 GLN A 117 2.398 -29.795 5.148 1.00 0.00 O ATOM 1951 NE2 GLN A 117 0.905 -31.368 5.655 1.00 0.00 N ATOM 1952 OXT GLN A 117 -1.610 -26.127 6.533 1.00 0.00 O ATOM 0 H GLN A 117 -0.086 -26.395 3.839 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.313 -28.273 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 117 0.219 -27.809 5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.997 -29.018 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.572 -30.129 4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.592 -28.892 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.062 -31.687 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.603 -31.937 6.133 1.00 0.00 H new