USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 367 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 97 SER OG : rot -28:sc= 0.0243 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0.0227 X(o=0.047,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.58) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0103 F(o=-1.3,f=-0.01) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.26 K(o=-1.3,f=-3) USER MOD Single : A 57 HIS : no HE2:sc= 0.305 K(o=0.3,f=-3.1!) USER MOD Single : A 59 SER OG : rot -76:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.486 (180deg=-0.536) USER MOD Single : A 66 ASN :FLIP amide:sc= -2.73! C(o=-3.5!,f=-2.7!) USER MOD Single : A 77 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -144:sc= 0 (180deg=-0.0745) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.169 32.302 17.097 1.00 41.31 N ATOM 281 CA LYS A 23 -7.310 31.501 16.669 1.00 22.11 C ATOM 282 C LYS A 23 -7.146 31.051 15.221 1.00 42.04 C ATOM 283 O LYS A 23 -6.855 29.886 14.952 1.00 60.42 O ATOM 284 CB LYS A 23 -8.606 32.299 16.824 1.00 40.22 C ATOM 285 CG LYS A 23 -8.421 33.798 16.663 1.00 32.11 C ATOM 286 CD LYS A 23 -9.690 34.465 16.159 1.00 10.43 C ATOM 287 CE LYS A 23 -10.049 33.994 14.758 1.00 42.33 C ATOM 288 NZ LYS A 23 -11.503 33.705 14.626 1.00 72.01 N ATOM 0 HA LYS A 23 -7.359 30.615 17.302 1.00 22.11 H new ATOM 0 HB2 LYS A 23 -9.328 31.949 16.086 1.00 40.22 H new ATOM 0 HB3 LYS A 23 -9.031 32.098 17.807 1.00 40.22 H new ATOM 0 HG2 LYS A 23 -8.134 34.235 17.620 1.00 32.11 H new ATOM 0 HG3 LYS A 23 -7.605 33.992 15.967 1.00 32.11 H new ATOM 0 HD2 LYS A 23 -10.513 34.245 16.840 1.00 10.43 H new ATOM 0 HD3 LYS A 23 -9.558 35.547 16.157 1.00 10.43 H new ATOM 0 HE2 LYS A 23 -9.763 34.757 14.034 1.00 42.33 H new ATOM 0 HE3 LYS A 23 -9.477 33.097 14.519 1.00 42.33 H new ATOM 0 HZ1 LYS A 23 -11.707 33.387 13.657 1.00 72.01 H new ATOM 0 HZ2 LYS A 23 -11.771 32.959 15.299 1.00 72.01 H new ATOM 0 HZ3 LYS A 23 -12.048 34.567 14.829 1.00 72.01 H new ATOM 298 N SER A 24 -7.334 31.983 14.292 1.00 45.42 N ATOM 299 CA SER A 24 -7.208 31.682 12.871 1.00 61.34 C ATOM 300 C SER A 24 -6.071 30.696 12.622 1.00 65.14 C ATOM 301 O SER A 24 -6.124 29.891 11.693 1.00 35.34 O ATOM 302 CB SER A 24 -6.969 32.965 12.075 1.00 24.43 C ATOM 303 OG SER A 24 -8.183 33.477 11.553 1.00 52.04 O ATOM 0 H SER A 24 -7.574 32.953 14.498 1.00 45.42 H new ATOM 0 HA SER A 24 -8.140 31.225 12.539 1.00 61.34 H new ATOM 0 HB2 SER A 24 -6.502 33.712 12.716 1.00 24.43 H new ATOM 0 HB3 SER A 24 -6.274 32.766 11.259 1.00 24.43 H new ATOM 0 HG SER A 24 -8.002 34.298 11.050 1.00 52.04 H new ATOM 308 N TYR A 25 -5.043 30.766 13.461 1.00 53.14 N ATOM 309 CA TYR A 25 -3.891 29.881 13.332 1.00 52.12 C ATOM 310 C TYR A 25 -4.156 28.538 14.006 1.00 31.32 C ATOM 311 O TYR A 25 -4.071 27.487 13.374 1.00 75.43 O ATOM 312 CB TYR A 25 -2.650 30.535 13.941 1.00 42.14 C ATOM 313 CG TYR A 25 -2.309 31.876 13.332 1.00 60.50 C ATOM 314 CD1 TYR A 25 -3.168 32.960 13.468 1.00 64.13 C ATOM 315 CD2 TYR A 25 -1.131 32.059 12.619 1.00 73.42 C ATOM 316 CE1 TYR A 25 -2.862 34.187 12.913 1.00 62.42 C ATOM 317 CE2 TYR A 25 -0.817 33.282 12.060 1.00 65.12 C ATOM 318 CZ TYR A 25 -1.685 34.343 12.211 1.00 32.02 C ATOM 319 OH TYR A 25 -1.376 35.564 11.655 1.00 52.22 O ATOM 0 H TYR A 25 -4.984 31.426 14.237 1.00 53.14 H new ATOM 0 HA TYR A 25 -3.717 29.705 12.271 1.00 52.12 H new ATOM 0 HB2 TYR A 25 -2.806 30.661 15.012 1.00 42.14 H new ATOM 0 HB3 TYR A 25 -1.800 29.864 13.819 1.00 42.14 H new ATOM 0 HD1 TYR A 25 -4.090 32.841 14.017 1.00 64.13 H new ATOM 0 HD2 TYR A 25 -0.449 31.230 12.500 1.00 73.42 H new ATOM 0 HE1 TYR A 25 -3.540 35.020 13.028 1.00 62.42 H new ATOM 0 HE2 TYR A 25 0.103 33.407 11.508 1.00 65.12 H new ATOM 0 HH TYR A 25 -0.512 35.505 11.196 1.00 52.22 H new ATOM 328 N ALA A 26 -4.478 28.584 15.295 1.00 13.35 N ATOM 329 CA ALA A 26 -4.758 27.373 16.056 1.00 12.23 C ATOM 330 C ALA A 26 -6.080 26.747 15.624 1.00 54.53 C ATOM 331 O ALA A 26 -6.151 25.548 15.357 1.00 43.51 O ATOM 332 CB ALA A 26 -4.780 27.679 17.547 1.00 10.55 C ATOM 0 H ALA A 26 -4.551 29.447 15.834 1.00 13.35 H new ATOM 0 HA ALA A 26 -3.962 26.655 15.855 1.00 12.23 H new ATOM 0 HB1 ALA A 26 -4.990 26.765 18.103 1.00 10.55 H new ATOM 0 HB2 ALA A 26 -3.811 28.074 17.852 1.00 10.55 H new ATOM 0 HB3 ALA A 26 -5.555 28.417 17.756 1.00 10.55 H new ATOM 338 N GLU A 27 -7.124 27.567 15.557 1.00 53.52 N ATOM 339 CA GLU A 27 -8.444 27.091 15.158 1.00 50.42 C ATOM 340 C GLU A 27 -8.358 26.251 13.888 1.00 51.43 C ATOM 341 O GLU A 27 -8.779 25.094 13.867 1.00 64.31 O ATOM 342 CB GLU A 27 -9.391 28.272 14.939 1.00 2.44 C ATOM 343 CG GLU A 27 -10.834 27.859 14.701 1.00 1.11 C ATOM 344 CD GLU A 27 -11.744 28.233 15.854 1.00 75.41 C ATOM 345 OE1 GLU A 27 -11.345 28.023 17.018 1.00 51.11 O ATOM 346 OE2 GLU A 27 -12.857 28.736 15.592 1.00 72.35 O ATOM 0 H GLU A 27 -7.082 28.563 15.773 1.00 53.52 H new ATOM 0 HA GLU A 27 -8.835 26.465 15.960 1.00 50.42 H new ATOM 0 HB2 GLU A 27 -9.348 28.927 15.809 1.00 2.44 H new ATOM 0 HB3 GLU A 27 -9.043 28.853 14.085 1.00 2.44 H new ATOM 0 HG2 GLU A 27 -11.197 28.331 13.788 1.00 1.11 H new ATOM 0 HG3 GLU A 27 -10.878 26.782 14.542 1.00 1.11 H new ATOM 351 N GLN A 28 -7.810 26.840 12.831 1.00 32.14 N ATOM 352 CA GLN A 28 -7.670 26.146 11.556 1.00 2.13 C ATOM 353 C GLN A 28 -7.060 24.763 11.753 1.00 45.34 C ATOM 354 O GLN A 28 -7.417 23.811 11.061 1.00 32.21 O ATOM 355 CB GLN A 28 -6.805 26.966 10.596 1.00 63.05 C ATOM 356 CG GLN A 28 -7.600 27.665 9.506 1.00 62.44 C ATOM 357 CD GLN A 28 -6.824 27.797 8.211 1.00 75.43 C ATOM 358 OE1 GLN A 28 -6.400 26.800 7.623 1.00 23.51 O ATOM 359 NE2 GLN A 28 -6.633 29.030 7.758 1.00 0.50 N ATOM 0 H GLN A 28 -7.455 27.796 12.832 1.00 32.14 H new ATOM 0 HA GLN A 28 -8.664 26.027 11.126 1.00 2.13 H new ATOM 0 HB2 GLN A 28 -6.252 27.713 11.166 1.00 63.05 H new ATOM 0 HB3 GLN A 28 -6.069 26.309 10.133 1.00 63.05 H new ATOM 0 HG2 GLN A 28 -8.519 27.110 9.319 1.00 62.44 H new ATOM 0 HG3 GLN A 28 -7.891 28.656 9.853 1.00 62.44 H new ATOM 0 HE21 GLN A 28 -7.002 29.827 8.277 1.00 0.50 H new ATOM 0 HE22 GLN A 28 -6.118 29.181 6.891 1.00 0.50 H new ATOM 366 N GLY A 29 -6.136 24.659 12.705 1.00 33.04 N ATOM 367 CA GLY A 29 -5.491 23.387 12.976 1.00 3.42 C ATOM 368 C GLY A 29 -6.396 22.423 13.716 1.00 22.22 C ATOM 369 O GLY A 29 -6.462 21.240 13.382 1.00 44.44 O ATOM 0 H GLY A 29 -5.823 25.432 13.292 1.00 33.04 H new ATOM 0 HA2 GLY A 29 -5.176 22.935 12.035 1.00 3.42 H new ATOM 0 HA3 GLY A 29 -4.590 23.559 13.564 1.00 3.42 H new ATOM 372 N LYS A 30 -7.097 22.929 14.726 1.00 14.13 N ATOM 373 CA LYS A 30 -8.003 22.105 15.516 1.00 21.43 C ATOM 374 C LYS A 30 -9.192 21.646 14.679 1.00 33.35 C ATOM 375 O LYS A 30 -9.507 20.459 14.631 1.00 73.43 O ATOM 376 CB LYS A 30 -8.498 22.884 16.738 1.00 51.55 C ATOM 377 CG LYS A 30 -7.904 22.397 18.049 1.00 53.20 C ATOM 378 CD LYS A 30 -7.529 23.556 18.956 1.00 5.31 C ATOM 379 CE LYS A 30 -6.363 24.352 18.389 1.00 41.21 C ATOM 380 NZ LYS A 30 -5.183 23.486 18.114 1.00 10.44 N ATOM 0 H LYS A 30 -7.054 23.906 15.016 1.00 14.13 H new ATOM 0 HA LYS A 30 -7.455 21.224 15.850 1.00 21.43 H new ATOM 0 HB2 LYS A 30 -8.256 23.939 16.609 1.00 51.55 H new ATOM 0 HB3 LYS A 30 -9.584 22.810 16.791 1.00 51.55 H new ATOM 0 HG2 LYS A 30 -8.622 21.753 18.558 1.00 53.20 H new ATOM 0 HG3 LYS A 30 -7.020 21.792 17.846 1.00 53.20 H new ATOM 0 HD2 LYS A 30 -8.390 24.212 19.085 1.00 5.31 H new ATOM 0 HD3 LYS A 30 -7.266 23.177 19.943 1.00 5.31 H new ATOM 0 HE2 LYS A 30 -6.674 24.846 17.468 1.00 41.21 H new ATOM 0 HE3 LYS A 30 -6.082 25.136 19.092 1.00 41.21 H new ATOM 0 HZ1 LYS A 30 -4.327 24.073 18.059 1.00 10.44 H new ATOM 0 HZ2 LYS A 30 -5.077 22.790 18.880 1.00 10.44 H new ATOM 0 HZ3 LYS A 30 -5.320 22.989 17.211 1.00 10.44 H new ATOM 390 N GLU A 31 -9.848 22.597 14.018 1.00 14.35 N ATOM 391 CA GLU A 31 -11.001 22.288 13.181 1.00 73.24 C ATOM 392 C GLU A 31 -10.722 21.078 12.294 1.00 61.22 C ATOM 393 O GLU A 31 -11.638 20.348 11.914 1.00 63.31 O ATOM 394 CB GLU A 31 -11.368 23.495 12.315 1.00 74.13 C ATOM 395 CG GLU A 31 -10.302 23.859 11.295 1.00 64.23 C ATOM 396 CD GLU A 31 -10.823 24.781 10.210 1.00 62.12 C ATOM 397 OE1 GLU A 31 -11.552 25.738 10.544 1.00 5.24 O ATOM 398 OE2 GLU A 31 -10.501 24.545 9.027 1.00 22.21 O ATOM 0 H GLU A 31 -9.600 23.586 14.047 1.00 14.35 H new ATOM 0 HA GLU A 31 -11.839 22.051 13.836 1.00 73.24 H new ATOM 0 HB2 GLU A 31 -12.302 23.287 11.793 1.00 74.13 H new ATOM 0 HB3 GLU A 31 -11.549 24.354 12.961 1.00 74.13 H new ATOM 0 HG2 GLU A 31 -9.466 24.339 11.804 1.00 64.23 H new ATOM 0 HG3 GLU A 31 -9.916 22.948 10.838 1.00 64.23 H new ATOM 403 N TYR A 32 -9.451 20.871 11.969 1.00 70.33 N ATOM 404 CA TYR A 32 -9.051 19.751 11.125 1.00 13.11 C ATOM 405 C TYR A 32 -9.072 18.443 11.910 1.00 1.30 C ATOM 406 O TYR A 32 -9.419 17.390 11.373 1.00 31.41 O ATOM 407 CB TYR A 32 -7.654 19.992 10.551 1.00 71.13 C ATOM 408 CG TYR A 32 -6.919 18.721 10.191 1.00 34.50 C ATOM 409 CD1 TYR A 32 -6.326 17.936 11.172 1.00 31.41 C ATOM 410 CD2 TYR A 32 -6.819 18.303 8.869 1.00 45.20 C ATOM 411 CE1 TYR A 32 -5.654 16.774 10.848 1.00 21.00 C ATOM 412 CE2 TYR A 32 -6.150 17.142 8.536 1.00 2.30 C ATOM 413 CZ TYR A 32 -5.569 16.381 9.529 1.00 11.54 C ATOM 414 OH TYR A 32 -4.900 15.223 9.202 1.00 3.14 O ATOM 0 H TYR A 32 -8.680 21.464 12.277 1.00 70.33 H new ATOM 0 HA TYR A 32 -9.765 19.673 10.305 1.00 13.11 H new ATOM 0 HB2 TYR A 32 -7.739 20.617 9.662 1.00 71.13 H new ATOM 0 HB3 TYR A 32 -7.063 20.550 11.278 1.00 71.13 H new ATOM 0 HD1 TYR A 32 -6.392 18.240 12.206 1.00 31.41 H new ATOM 0 HD2 TYR A 32 -7.272 18.897 8.089 1.00 45.20 H new ATOM 0 HE1 TYR A 32 -5.198 16.176 11.623 1.00 21.00 H new ATOM 0 HE2 TYR A 32 -6.082 16.831 7.504 1.00 2.30 H new ATOM 0 HH TYR A 32 -4.933 15.089 8.232 1.00 3.14 H new ATOM 423 N ILE A 33 -8.698 18.518 13.183 1.00 32.10 N ATOM 424 CA ILE A 33 -8.674 17.341 14.042 1.00 22.54 C ATOM 425 C ILE A 33 -9.988 17.189 14.801 1.00 32.33 C ATOM 426 O ILE A 33 -10.677 16.176 14.677 1.00 25.34 O ATOM 427 CB ILE A 33 -7.514 17.405 15.054 1.00 35.52 C ATOM 428 CG1 ILE A 33 -7.925 16.749 16.374 1.00 2.33 C ATOM 429 CG2 ILE A 33 -7.090 18.848 15.281 1.00 50.13 C ATOM 430 CD1 ILE A 33 -6.831 16.762 17.419 1.00 42.45 C ATOM 0 H ILE A 33 -8.408 19.381 13.642 1.00 32.10 H new ATOM 0 HA ILE A 33 -8.530 16.478 13.392 1.00 22.54 H new ATOM 0 HB ILE A 33 -6.664 16.857 14.648 1.00 35.52 H new ATOM 0 HG12 ILE A 33 -8.801 17.264 16.769 1.00 2.33 H new ATOM 0 HG13 ILE A 33 -8.221 15.718 16.182 1.00 2.33 H new ATOM 0 HG21 ILE A 33 -6.270 18.878 15.998 1.00 50.13 H new ATOM 0 HG22 ILE A 33 -6.763 19.284 14.337 1.00 50.13 H new ATOM 0 HG23 ILE A 33 -7.933 19.418 15.671 1.00 50.13 H new ATOM 0 HD11 ILE A 33 -7.191 16.281 18.329 1.00 42.45 H new ATOM 0 HD12 ILE A 33 -5.962 16.222 17.043 1.00 42.45 H new ATOM 0 HD13 ILE A 33 -6.551 17.792 17.640 1.00 42.45 H new ATOM 441 N THR A 34 -10.332 18.205 15.588 1.00 70.41 N ATOM 442 CA THR A 34 -11.563 18.185 16.367 1.00 73.31 C ATOM 443 C THR A 34 -12.691 17.506 15.597 1.00 21.04 C ATOM 444 O THR A 34 -13.400 16.657 16.137 1.00 23.51 O ATOM 445 CB THR A 34 -12.006 19.609 16.754 1.00 61.21 C ATOM 446 OG1 THR A 34 -13.325 19.577 17.311 1.00 64.35 O ATOM 447 CG2 THR A 34 -11.984 20.530 15.543 1.00 22.32 C ATOM 0 H THR A 34 -9.775 19.052 15.702 1.00 70.41 H new ATOM 0 HA THR A 34 -11.353 17.618 17.274 1.00 73.31 H new ATOM 0 HB THR A 34 -11.307 19.994 17.497 1.00 61.21 H new ATOM 0 HG1 THR A 34 -13.599 20.486 17.556 1.00 64.35 H new ATOM 0 HG21 THR A 34 -12.300 21.530 15.840 1.00 22.32 H new ATOM 0 HG22 THR A 34 -10.973 20.575 15.138 1.00 22.32 H new ATOM 0 HG23 THR A 34 -12.663 20.146 14.782 1.00 22.32 H new ATOM 604 N PRO A 46 -13.028 -0.556 20.132 1.00 51.31 N ATOM 605 CA PRO A 46 -12.990 -0.763 21.583 1.00 21.44 C ATOM 606 C PRO A 46 -12.207 -2.012 21.970 1.00 73.54 C ATOM 607 O PRO A 46 -11.731 -2.132 23.099 1.00 13.31 O ATOM 608 CB PRO A 46 -14.466 -0.920 21.957 1.00 35.14 C ATOM 609 CG PRO A 46 -15.122 -1.411 20.712 1.00 40.12 C ATOM 610 CD PRO A 46 -14.370 -0.781 19.572 1.00 53.32 C ATOM 0 HA PRO A 46 -12.490 0.057 22.099 1.00 21.44 H new ATOM 0 HB2 PRO A 46 -14.594 -1.627 22.777 1.00 35.14 H new ATOM 0 HB3 PRO A 46 -14.895 0.028 22.283 1.00 35.14 H new ATOM 0 HG2 PRO A 46 -15.082 -2.499 20.652 1.00 40.12 H new ATOM 0 HG3 PRO A 46 -16.175 -1.129 20.688 1.00 40.12 H new ATOM 0 HD2 PRO A 46 -14.337 -1.436 18.701 1.00 53.32 H new ATOM 0 HD3 PRO A 46 -14.833 0.152 19.252 1.00 53.32 H new ATOM 615 N GLU A 47 -12.078 -2.941 21.027 1.00 44.51 N ATOM 616 CA GLU A 47 -11.351 -4.181 21.272 1.00 33.03 C ATOM 617 C GLU A 47 -9.880 -4.034 20.894 1.00 62.33 C ATOM 618 O GLU A 47 -9.085 -4.954 21.086 1.00 10.53 O ATOM 619 CB GLU A 47 -11.980 -5.330 20.480 1.00 11.12 C ATOM 620 CG GLU A 47 -13.466 -5.507 20.741 1.00 15.20 C ATOM 621 CD GLU A 47 -13.962 -6.891 20.369 1.00 64.42 C ATOM 622 OE1 GLU A 47 -13.644 -7.358 19.256 1.00 3.20 O ATOM 623 OE2 GLU A 47 -14.670 -7.507 21.194 1.00 15.00 O ATOM 0 H GLU A 47 -12.467 -2.858 20.088 1.00 44.51 H new ATOM 0 HA GLU A 47 -11.413 -4.405 22.337 1.00 33.03 H new ATOM 0 HB2 GLU A 47 -11.825 -5.154 19.416 1.00 11.12 H new ATOM 0 HB3 GLU A 47 -11.463 -6.257 20.728 1.00 11.12 H new ATOM 0 HG2 GLU A 47 -13.670 -5.323 21.796 1.00 15.20 H new ATOM 0 HG3 GLU A 47 -14.022 -4.761 20.174 1.00 15.20 H new ATOM 628 N ASP A 48 -9.527 -2.872 20.357 1.00 4.21 N ATOM 629 CA ASP A 48 -8.151 -2.603 19.954 1.00 21.41 C ATOM 630 C ASP A 48 -7.303 -2.191 21.153 1.00 55.00 C ATOM 631 O ASP A 48 -6.117 -1.895 21.015 1.00 74.42 O ATOM 632 CB ASP A 48 -8.116 -1.506 18.889 1.00 31.13 C ATOM 633 CG ASP A 48 -6.721 -1.277 18.340 1.00 1.25 C ATOM 634 OD1 ASP A 48 -6.041 -2.273 18.016 1.00 33.44 O ATOM 635 OD2 ASP A 48 -6.310 -0.102 18.235 1.00 51.55 O ATOM 0 H ASP A 48 -10.174 -2.101 20.190 1.00 4.21 H new ATOM 0 HA ASP A 48 -7.735 -3.520 19.536 1.00 21.41 H new ATOM 0 HB2 ASP A 48 -8.785 -1.775 18.072 1.00 31.13 H new ATOM 0 HB3 ASP A 48 -8.492 -0.577 19.316 1.00 31.13 H new ATOM 639 N ASN A 49 -7.921 -2.175 22.330 1.00 43.33 N ATOM 640 CA ASN A 49 -7.222 -1.799 23.554 1.00 22.12 C ATOM 641 C ASN A 49 -6.199 -2.861 23.945 1.00 60.21 C ATOM 642 O ASN A 49 -5.233 -2.577 24.654 1.00 14.34 O ATOM 643 CB ASN A 49 -8.222 -1.594 24.694 1.00 22.43 C ATOM 644 CG ASN A 49 -8.941 -0.261 24.599 1.00 42.13 C ATOM 645 OD1 ASN A 49 -9.482 0.037 23.424 1.00 30.31 O flip ATOM 646 ND2 ASN A 49 -9.009 0.490 25.572 1.00 13.04 N flip ATOM 0 H ASN A 49 -8.903 -2.418 22.462 1.00 43.33 H new ATOM 0 HA ASN A 49 -6.695 -0.863 23.369 1.00 22.12 H new ATOM 0 HB2 ASN A 49 -8.955 -2.401 24.681 1.00 22.43 H new ATOM 0 HB3 ASN A 49 -7.699 -1.654 25.648 1.00 22.43 H new ATOM 0 HD21 ASN A 49 -8.578 0.220 26.456 1.00 13.04 H new ATOM 0 HD22 ASN A 49 -9.496 1.383 25.494 1.00 13.04 H new ATOM 652 N LYS A 50 -6.418 -4.086 23.478 1.00 61.20 N ATOM 653 CA LYS A 50 -5.516 -5.191 23.777 1.00 42.01 C ATOM 654 C LYS A 50 -4.511 -5.394 22.647 1.00 72.31 C ATOM 655 O LYS A 50 -3.477 -6.034 22.830 1.00 33.14 O ATOM 656 CB LYS A 50 -6.311 -6.478 24.004 1.00 72.34 C ATOM 657 CG LYS A 50 -5.475 -7.621 24.553 1.00 42.00 C ATOM 658 CD LYS A 50 -5.416 -8.787 23.581 1.00 41.41 C ATOM 659 CE LYS A 50 -5.441 -10.123 24.308 1.00 24.20 C ATOM 660 NZ LYS A 50 -6.818 -10.492 24.740 1.00 44.11 N ATOM 0 H LYS A 50 -7.213 -4.338 22.891 1.00 61.20 H new ATOM 0 HA LYS A 50 -4.968 -4.944 24.687 1.00 42.01 H new ATOM 0 HB2 LYS A 50 -7.129 -6.273 24.695 1.00 72.34 H new ATOM 0 HB3 LYS A 50 -6.761 -6.788 23.061 1.00 72.34 H new ATOM 0 HG2 LYS A 50 -4.465 -7.267 24.760 1.00 42.00 H new ATOM 0 HG3 LYS A 50 -5.895 -7.957 25.501 1.00 42.00 H new ATOM 0 HD2 LYS A 50 -6.259 -8.731 22.893 1.00 41.41 H new ATOM 0 HD3 LYS A 50 -4.509 -8.716 22.981 1.00 41.41 H new ATOM 0 HE2 LYS A 50 -5.045 -10.900 23.654 1.00 24.20 H new ATOM 0 HE3 LYS A 50 -4.787 -10.075 25.179 1.00 24.20 H new ATOM 0 HZ1 LYS A 50 -6.794 -11.408 25.232 1.00 44.11 H new ATOM 0 HZ2 LYS A 50 -7.187 -9.763 25.384 1.00 44.11 H new ATOM 0 HZ3 LYS A 50 -7.436 -10.563 23.907 1.00 44.11 H new ATOM 670 N GLY A 51 -4.824 -4.843 21.478 1.00 2.24 N ATOM 671 CA GLY A 51 -3.938 -4.974 20.335 1.00 25.33 C ATOM 672 C GLY A 51 -2.782 -3.995 20.384 1.00 50.50 C ATOM 673 O GLY A 51 -1.818 -4.123 19.629 1.00 13.30 O ATOM 0 H GLY A 51 -5.675 -4.309 21.302 1.00 2.24 H new ATOM 0 HA2 GLY A 51 -3.548 -5.991 20.296 1.00 25.33 H new ATOM 0 HA3 GLY A 51 -4.506 -4.815 19.418 1.00 25.33 H new ATOM 676 N VAL A 52 -2.878 -3.011 21.272 1.00 62.04 N ATOM 677 CA VAL A 52 -1.832 -2.006 21.416 1.00 30.32 C ATOM 678 C VAL A 52 -0.732 -2.486 22.356 1.00 73.22 C ATOM 679 O VAL A 52 0.450 -2.230 22.128 1.00 11.41 O ATOM 680 CB VAL A 52 -2.401 -0.676 21.946 1.00 13.24 C ATOM 681 CG1 VAL A 52 -3.454 -0.129 20.994 1.00 65.33 C ATOM 682 CG2 VAL A 52 -2.975 -0.862 23.342 1.00 62.40 C ATOM 0 H VAL A 52 -3.670 -2.888 21.903 1.00 62.04 H new ATOM 0 HA VAL A 52 -1.411 -1.844 20.424 1.00 30.32 H new ATOM 0 HB VAL A 52 -1.590 0.049 22.006 1.00 13.24 H new ATOM 0 HG11 VAL A 52 -3.845 0.811 21.385 1.00 65.33 H new ATOM 0 HG12 VAL A 52 -3.006 0.043 20.016 1.00 65.33 H new ATOM 0 HG13 VAL A 52 -4.267 -0.848 20.899 1.00 65.33 H new ATOM 0 HG21 VAL A 52 -3.373 0.087 23.701 1.00 62.40 H new ATOM 0 HG22 VAL A 52 -3.775 -1.602 23.311 1.00 62.40 H new ATOM 0 HG23 VAL A 52 -2.190 -1.205 24.016 1.00 62.40 H new ATOM 692 N PHE A 53 -1.130 -3.185 23.414 1.00 60.32 N ATOM 693 CA PHE A 53 -0.178 -3.702 24.391 1.00 14.24 C ATOM 694 C PHE A 53 0.286 -5.104 24.008 1.00 0.23 C ATOM 695 O PHE A 53 1.195 -5.658 24.626 1.00 0.43 O ATOM 696 CB PHE A 53 -0.807 -3.724 25.785 1.00 11.21 C ATOM 697 CG PHE A 53 -0.444 -2.533 26.625 1.00 22.45 C ATOM 698 CD1 PHE A 53 -0.333 -1.274 26.055 1.00 74.12 C ATOM 699 CD2 PHE A 53 -0.217 -2.670 27.984 1.00 44.40 C ATOM 700 CE1 PHE A 53 0.000 -0.176 26.825 1.00 50.43 C ATOM 701 CE2 PHE A 53 0.118 -1.576 28.760 1.00 54.40 C ATOM 702 CZ PHE A 53 0.225 -0.327 28.180 1.00 34.13 C ATOM 0 H PHE A 53 -2.105 -3.406 23.617 1.00 60.32 H new ATOM 0 HA PHE A 53 0.689 -3.041 24.402 1.00 14.24 H new ATOM 0 HB2 PHE A 53 -1.891 -3.771 25.685 1.00 11.21 H new ATOM 0 HB3 PHE A 53 -0.495 -4.632 26.302 1.00 11.21 H new ATOM 0 HD1 PHE A 53 -0.509 -1.150 24.997 1.00 74.12 H new ATOM 0 HD2 PHE A 53 -0.303 -3.644 28.444 1.00 44.40 H new ATOM 0 HE1 PHE A 53 0.084 0.799 26.368 1.00 50.43 H new ATOM 0 HE2 PHE A 53 0.296 -1.698 29.818 1.00 54.40 H new ATOM 0 HZ PHE A 53 0.484 0.530 28.784 1.00 34.13 H new ATOM 711 N GLN A 54 -0.344 -5.671 22.985 1.00 74.31 N ATOM 712 CA GLN A 54 0.003 -7.010 22.520 1.00 30.34 C ATOM 713 C GLN A 54 1.506 -7.132 22.291 1.00 75.24 C ATOM 714 O GLN A 54 2.104 -8.170 22.573 1.00 70.44 O ATOM 715 CB GLN A 54 -0.751 -7.336 21.229 1.00 61.02 C ATOM 716 CG GLN A 54 -0.230 -6.584 20.015 1.00 13.22 C ATOM 717 CD GLN A 54 -1.146 -6.713 18.814 1.00 12.45 C ATOM 718 OE1 GLN A 54 -2.190 -7.361 18.880 1.00 72.15 O ATOM 719 NE2 GLN A 54 -0.757 -6.093 17.704 1.00 64.51 N ATOM 0 H GLN A 54 -1.097 -5.225 22.462 1.00 74.31 H new ATOM 0 HA GLN A 54 -0.288 -7.723 23.291 1.00 30.34 H new ATOM 0 HB2 GLN A 54 -0.684 -8.407 21.039 1.00 61.02 H new ATOM 0 HB3 GLN A 54 -1.807 -7.102 21.366 1.00 61.02 H new ATOM 0 HG2 GLN A 54 -0.113 -5.530 20.267 1.00 13.22 H new ATOM 0 HG3 GLN A 54 0.759 -6.961 19.755 1.00 13.22 H new ATOM 0 HE21 GLN A 54 0.116 -5.566 17.693 1.00 64.51 H new ATOM 0 HE22 GLN A 54 -1.332 -6.144 16.863 1.00 64.51 H new ATOM 726 N GLY A 55 2.111 -6.066 21.776 1.00 64.33 N ATOM 727 CA GLY A 55 3.538 -6.076 21.518 1.00 11.10 C ATOM 728 C GLY A 55 4.344 -5.543 22.686 1.00 34.41 C ATOM 729 O GLY A 55 5.567 -5.669 22.715 1.00 1.30 O ATOM 0 H GLY A 55 1.638 -5.196 21.533 1.00 64.33 H new ATOM 0 HA2 GLY A 55 3.856 -7.095 21.296 1.00 11.10 H new ATOM 0 HA3 GLY A 55 3.748 -5.476 20.632 1.00 11.10 H new ATOM 732 N VAL A 56 3.655 -4.943 23.652 1.00 40.33 N ATOM 733 CA VAL A 56 4.314 -4.389 24.828 1.00 24.30 C ATOM 734 C VAL A 56 4.412 -5.424 25.943 1.00 41.40 C ATOM 735 O VAL A 56 5.365 -5.424 26.723 1.00 20.02 O ATOM 736 CB VAL A 56 3.566 -3.150 25.358 1.00 50.23 C ATOM 737 CG1 VAL A 56 3.572 -3.132 26.879 1.00 61.34 C ATOM 738 CG2 VAL A 56 4.184 -1.877 24.799 1.00 64.22 C ATOM 0 H VAL A 56 2.641 -4.829 23.643 1.00 40.33 H new ATOM 0 HA VAL A 56 5.317 -4.096 24.520 1.00 24.30 H new ATOM 0 HB VAL A 56 2.530 -3.202 25.024 1.00 50.23 H new ATOM 0 HG11 VAL A 56 3.039 -2.250 27.235 1.00 61.34 H new ATOM 0 HG12 VAL A 56 3.080 -4.029 27.255 1.00 61.34 H new ATOM 0 HG13 VAL A 56 4.601 -3.104 27.238 1.00 61.34 H new ATOM 0 HG21 VAL A 56 3.644 -1.011 25.183 1.00 64.22 H new ATOM 0 HG22 VAL A 56 5.229 -1.816 25.102 1.00 64.22 H new ATOM 0 HG23 VAL A 56 4.122 -1.890 23.711 1.00 64.22 H new ATOM 748 N HIS A 57 3.421 -6.306 26.013 1.00 55.05 N ATOM 749 CA HIS A 57 3.396 -7.350 27.032 1.00 2.22 C ATOM 750 C HIS A 57 4.719 -8.109 27.064 1.00 53.24 C ATOM 751 O HIS A 57 5.134 -8.608 28.110 1.00 21.12 O ATOM 752 CB HIS A 57 2.244 -8.320 26.771 1.00 33.53 C ATOM 753 CG HIS A 57 2.666 -9.578 26.075 1.00 34.32 C ATOM 754 ND1 HIS A 57 3.070 -9.609 24.757 1.00 75.52 N ATOM 755 CD2 HIS A 57 2.746 -10.852 26.522 1.00 34.31 C ATOM 756 CE1 HIS A 57 3.378 -10.849 24.422 1.00 62.24 C ATOM 757 NE2 HIS A 57 3.191 -11.623 25.476 1.00 70.24 N ATOM 0 H HIS A 57 2.624 -6.319 25.376 1.00 55.05 H new ATOM 0 HA HIS A 57 3.247 -6.874 28.001 1.00 2.22 H new ATOM 0 HB2 HIS A 57 1.776 -8.579 27.721 1.00 33.53 H new ATOM 0 HB3 HIS A 57 1.487 -7.818 26.169 1.00 33.53 H new ATOM 0 HD1 HIS A 57 3.123 -8.800 24.137 1.00 75.52 H new ATOM 0 HD2 HIS A 57 2.505 -11.198 27.516 1.00 34.31 H new ATOM 0 HE1 HIS A 57 3.724 -11.174 23.452 1.00 62.24 H new ATOM 764 N ASP A 58 5.375 -8.194 25.912 1.00 62.34 N ATOM 765 CA ASP A 58 6.651 -8.892 25.809 1.00 55.12 C ATOM 766 C ASP A 58 7.657 -8.337 26.811 1.00 14.42 C ATOM 767 O ASP A 58 8.537 -9.056 27.285 1.00 23.23 O ATOM 768 CB ASP A 58 7.207 -8.775 24.388 1.00 61.02 C ATOM 769 CG ASP A 58 8.684 -9.112 24.315 1.00 74.54 C ATOM 770 OD1 ASP A 58 9.511 -8.205 24.539 1.00 11.52 O ATOM 771 OD2 ASP A 58 9.011 -10.285 24.033 1.00 24.53 O ATOM 0 H ASP A 58 5.044 -7.788 25.037 1.00 62.34 H new ATOM 0 HA ASP A 58 6.482 -9.944 26.039 1.00 55.12 H new ATOM 0 HB2 ASP A 58 6.652 -9.441 23.728 1.00 61.02 H new ATOM 0 HB3 ASP A 58 7.050 -7.760 24.022 1.00 61.02 H new ATOM 775 N SER A 59 7.523 -7.053 27.127 1.00 20.11 N ATOM 776 CA SER A 59 8.424 -6.400 28.069 1.00 2.11 C ATOM 777 C SER A 59 8.284 -7.003 29.463 1.00 72.34 C ATOM 778 O SER A 59 9.189 -6.899 30.290 1.00 44.04 O ATOM 779 CB SER A 59 8.139 -4.897 28.120 1.00 41.41 C ATOM 780 OG SER A 59 6.926 -4.631 28.801 1.00 72.23 O ATOM 0 H SER A 59 6.799 -6.444 26.745 1.00 20.11 H new ATOM 0 HA SER A 59 9.446 -6.558 27.725 1.00 2.11 H new ATOM 0 HB2 SER A 59 8.961 -4.385 28.621 1.00 41.41 H new ATOM 0 HB3 SER A 59 8.086 -4.499 27.107 1.00 41.41 H new ATOM 0 HG SER A 59 6.169 -4.851 28.219 1.00 72.23 H new ATOM 785 N ALA A 60 7.142 -7.634 29.715 1.00 64.33 N ATOM 786 CA ALA A 60 6.882 -8.257 31.008 1.00 14.14 C ATOM 787 C ALA A 60 7.350 -9.708 31.022 1.00 5.43 C ATOM 788 O ALA A 60 7.046 -10.458 31.948 1.00 54.14 O ATOM 789 CB ALA A 60 5.401 -8.174 31.345 1.00 40.33 C ATOM 0 H ALA A 60 6.382 -7.728 29.041 1.00 64.33 H new ATOM 0 HA ALA A 60 7.447 -7.714 31.766 1.00 14.14 H new ATOM 0 HB1 ALA A 60 5.221 -8.643 32.312 1.00 40.33 H new ATOM 0 HB2 ALA A 60 5.095 -7.129 31.386 1.00 40.33 H new ATOM 0 HB3 ALA A 60 4.824 -8.691 30.578 1.00 40.33 H new ATOM 795 N GLU A 61 8.091 -10.096 29.989 1.00 24.12 N ATOM 796 CA GLU A 61 8.600 -11.459 29.883 1.00 62.55 C ATOM 797 C GLU A 61 9.321 -11.871 31.163 1.00 61.31 C ATOM 798 O GLU A 61 9.357 -13.050 31.517 1.00 54.42 O ATOM 799 CB GLU A 61 9.547 -11.582 28.689 1.00 11.41 C ATOM 800 CG GLU A 61 10.222 -12.939 28.584 1.00 52.31 C ATOM 801 CD GLU A 61 9.228 -14.074 28.426 1.00 71.13 C ATOM 802 OE1 GLU A 61 8.681 -14.532 29.451 1.00 40.30 O ATOM 803 OE2 GLU A 61 8.998 -14.504 27.276 1.00 50.14 O ATOM 0 H GLU A 61 8.352 -9.487 29.214 1.00 24.12 H new ATOM 0 HA GLU A 61 7.751 -12.126 29.734 1.00 62.55 H new ATOM 0 HB2 GLU A 61 8.989 -11.392 27.772 1.00 11.41 H new ATOM 0 HB3 GLU A 61 10.313 -10.810 28.762 1.00 11.41 H new ATOM 0 HG2 GLU A 61 10.904 -12.937 27.733 1.00 52.31 H new ATOM 0 HG3 GLU A 61 10.825 -13.111 29.475 1.00 52.31 H new ATOM 808 N LYS A 62 9.894 -10.892 31.855 1.00 31.35 N ATOM 809 CA LYS A 62 10.613 -11.151 33.096 1.00 1.35 C ATOM 810 C LYS A 62 9.644 -11.450 34.234 1.00 45.13 C ATOM 811 O LYS A 62 9.796 -12.441 34.947 1.00 41.03 O ATOM 812 CB LYS A 62 11.490 -9.950 33.461 1.00 14.05 C ATOM 813 CG LYS A 62 12.925 -10.075 32.978 1.00 22.03 C ATOM 814 CD LYS A 62 13.866 -10.435 34.115 1.00 3.13 C ATOM 815 CE LYS A 62 15.209 -9.736 33.968 1.00 42.13 C ATOM 816 NZ LYS A 62 15.205 -8.388 34.600 1.00 43.12 N ATOM 0 H LYS A 62 9.874 -9.911 31.577 1.00 31.35 H new ATOM 0 HA LYS A 62 11.247 -12.024 32.944 1.00 1.35 H new ATOM 0 HB2 LYS A 62 11.050 -9.047 33.037 1.00 14.05 H new ATOM 0 HB3 LYS A 62 11.490 -9.826 34.544 1.00 14.05 H new ATOM 0 HG2 LYS A 62 12.983 -10.837 32.201 1.00 22.03 H new ATOM 0 HG3 LYS A 62 13.241 -9.135 32.527 1.00 22.03 H new ATOM 0 HD2 LYS A 62 13.412 -10.157 35.066 1.00 3.13 H new ATOM 0 HD3 LYS A 62 14.017 -11.514 34.137 1.00 3.13 H new ATOM 0 HE2 LYS A 62 15.988 -10.348 34.422 1.00 42.13 H new ATOM 0 HE3 LYS A 62 15.455 -9.640 32.910 1.00 42.13 H new ATOM 0 HZ1 LYS A 62 16.138 -7.945 34.478 1.00 43.12 H new ATOM 0 HZ2 LYS A 62 14.479 -7.796 34.150 1.00 43.12 H new ATOM 0 HZ3 LYS A 62 14.996 -8.481 35.614 1.00 43.12 H new ATOM 826 N GLY A 63 8.646 -10.587 34.399 1.00 44.41 N ATOM 827 CA GLY A 63 7.666 -10.779 35.453 1.00 32.23 C ATOM 828 C GLY A 63 6.461 -11.571 34.986 1.00 31.34 C ATOM 829 O GLY A 63 5.396 -11.514 35.600 1.00 74.05 O ATOM 0 H GLY A 63 8.498 -9.759 33.822 1.00 44.41 H new ATOM 0 HA2 GLY A 63 8.134 -11.296 36.291 1.00 32.23 H new ATOM 0 HA3 GLY A 63 7.338 -9.807 35.821 1.00 32.23 H new ATOM 832 N LYS A 64 6.627 -12.309 33.894 1.00 33.00 N ATOM 833 CA LYS A 64 5.544 -13.116 33.344 1.00 14.23 C ATOM 834 C LYS A 64 5.126 -14.207 34.325 1.00 55.40 C ATOM 835 O LYS A 64 4.059 -14.805 34.184 1.00 65.21 O ATOM 836 CB LYS A 64 5.974 -13.745 32.017 1.00 52.34 C ATOM 837 CG LYS A 64 6.506 -15.162 32.159 1.00 20.15 C ATOM 838 CD LYS A 64 7.790 -15.196 32.970 1.00 74.14 C ATOM 839 CE LYS A 64 7.943 -16.513 33.715 1.00 52.42 C ATOM 840 NZ LYS A 64 9.201 -16.557 34.511 1.00 52.01 N ATOM 0 H LYS A 64 7.501 -12.365 33.372 1.00 33.00 H new ATOM 0 HA LYS A 64 4.689 -12.463 33.170 1.00 14.23 H new ATOM 0 HB2 LYS A 64 5.123 -13.752 31.335 1.00 52.34 H new ATOM 0 HB3 LYS A 64 6.743 -13.121 31.561 1.00 52.34 H new ATOM 0 HG2 LYS A 64 5.754 -15.788 32.640 1.00 20.15 H new ATOM 0 HG3 LYS A 64 6.687 -15.584 31.171 1.00 20.15 H new ATOM 0 HD2 LYS A 64 8.644 -15.050 32.308 1.00 74.14 H new ATOM 0 HD3 LYS A 64 7.794 -14.371 33.682 1.00 74.14 H new ATOM 0 HE2 LYS A 64 7.089 -16.657 34.377 1.00 52.42 H new ATOM 0 HE3 LYS A 64 7.936 -17.337 33.001 1.00 52.42 H new ATOM 0 HZ1 LYS A 64 9.133 -17.309 35.227 1.00 52.01 H new ATOM 0 HZ2 LYS A 64 10.004 -16.751 33.880 1.00 52.01 H new ATOM 0 HZ3 LYS A 64 9.345 -15.642 34.983 1.00 52.01 H new ATOM 850 N ASP A 65 5.974 -14.461 35.316 1.00 35.42 N ATOM 851 CA ASP A 65 5.690 -15.479 36.321 1.00 41.13 C ATOM 852 C ASP A 65 4.607 -15.004 37.285 1.00 65.11 C ATOM 853 O ASP A 65 4.052 -15.794 38.048 1.00 33.24 O ATOM 854 CB ASP A 65 6.962 -15.828 37.096 1.00 71.25 C ATOM 855 CG ASP A 65 6.681 -16.684 38.316 1.00 20.54 C ATOM 856 OD1 ASP A 65 6.317 -16.116 39.367 1.00 3.35 O ATOM 857 OD2 ASP A 65 6.823 -17.920 38.220 1.00 53.53 O ATOM 0 H ASP A 65 6.862 -13.977 35.445 1.00 35.42 H new ATOM 0 HA ASP A 65 5.329 -16.371 35.808 1.00 41.13 H new ATOM 0 HB2 ASP A 65 7.652 -16.355 36.437 1.00 71.25 H new ATOM 0 HB3 ASP A 65 7.458 -14.909 37.407 1.00 71.25 H new ATOM 861 N ASN A 66 4.313 -13.708 37.245 1.00 40.22 N ATOM 862 CA ASN A 66 3.298 -13.129 38.117 1.00 32.34 C ATOM 863 C ASN A 66 1.956 -13.029 37.397 1.00 11.13 C ATOM 864 O ASN A 66 0.972 -12.551 37.960 1.00 75.04 O ATOM 865 CB ASN A 66 3.737 -11.743 38.594 1.00 22.32 C ATOM 866 CG ASN A 66 5.221 -11.506 38.393 1.00 23.33 C ATOM 867 OD1 ASN A 66 6.024 -12.535 38.641 1.00 41.14 O flip ATOM 868 ND2 ASN A 66 5.641 -10.410 38.018 1.00 24.11 N flip ATOM 0 H ASN A 66 4.763 -13.040 36.619 1.00 40.22 H new ATOM 0 HA ASN A 66 3.180 -13.783 38.981 1.00 32.34 H new ATOM 0 HB2 ASN A 66 3.174 -10.981 38.055 1.00 22.32 H new ATOM 0 HB3 ASN A 66 3.494 -11.631 39.651 1.00 22.32 H new ATOM 0 HD21 ASN A 66 4.988 -9.647 37.839 1.00 24.11 H new ATOM 0 HD22 ASN A 66 6.642 -10.265 37.886 1.00 24.11 H new ATOM 874 N ALA A 67 1.926 -13.482 36.147 1.00 70.23 N ATOM 875 CA ALA A 67 0.706 -13.446 35.351 1.00 75.53 C ATOM 876 C ALA A 67 -0.248 -14.565 35.758 1.00 23.35 C ATOM 877 O ALA A 67 -1.460 -14.457 35.572 1.00 25.11 O ATOM 878 CB ALA A 67 1.039 -13.547 33.870 1.00 12.12 C ATOM 0 H ALA A 67 2.733 -13.878 35.665 1.00 70.23 H new ATOM 0 HA ALA A 67 0.209 -12.494 35.536 1.00 75.53 H new ATOM 0 HB1 ALA A 67 0.118 -13.519 33.287 1.00 12.12 H new ATOM 0 HB2 ALA A 67 1.676 -12.711 33.582 1.00 12.12 H new ATOM 0 HB3 ALA A 67 1.562 -14.484 33.678 1.00 12.12 H new ATOM 947 N LEU A 74 -11.109 -17.764 42.291 1.00 62.33 N ATOM 948 CA LEU A 74 -11.172 -16.455 42.929 1.00 25.34 C ATOM 949 C LEU A 74 -9.855 -15.702 42.762 1.00 71.14 C ATOM 950 O LEU A 74 -9.781 -14.498 43.004 1.00 54.41 O ATOM 951 CB LEU A 74 -11.502 -16.604 44.416 1.00 11.41 C ATOM 952 CG LEU A 74 -12.711 -17.478 44.750 1.00 34.24 C ATOM 953 CD1 LEU A 74 -12.756 -17.779 46.239 1.00 61.24 C ATOM 954 CD2 LEU A 74 -13.998 -16.801 44.302 1.00 31.34 C ATOM 0 HA LEU A 74 -11.961 -15.881 42.444 1.00 25.34 H new ATOM 0 HB2 LEU A 74 -10.629 -17.017 44.922 1.00 11.41 H new ATOM 0 HB3 LEU A 74 -11.671 -15.611 44.832 1.00 11.41 H new ATOM 0 HG LEU A 74 -12.614 -18.421 44.212 1.00 34.24 H new ATOM 0 HD11 LEU A 74 -13.623 -18.402 46.458 1.00 61.24 H new ATOM 0 HD12 LEU A 74 -11.848 -18.306 46.531 1.00 61.24 H new ATOM 0 HD13 LEU A 74 -12.830 -16.845 46.797 1.00 61.24 H new ATOM 0 HD21 LEU A 74 -14.848 -17.437 44.548 1.00 31.34 H new ATOM 0 HD22 LEU A 74 -14.102 -15.843 44.812 1.00 31.34 H new ATOM 0 HD23 LEU A 74 -13.967 -16.637 43.225 1.00 31.34 H new ATOM 965 N ALA A 75 -8.818 -16.422 42.345 1.00 52.35 N ATOM 966 CA ALA A 75 -7.505 -15.823 42.141 1.00 60.12 C ATOM 967 C ALA A 75 -7.403 -15.182 40.762 1.00 54.41 C ATOM 968 O ALA A 75 -6.711 -14.179 40.582 1.00 10.22 O ATOM 969 CB ALA A 75 -6.415 -16.868 42.322 1.00 44.32 C ATOM 0 H ALA A 75 -8.862 -17.421 42.142 1.00 52.35 H new ATOM 0 HA ALA A 75 -7.370 -15.040 42.887 1.00 60.12 H new ATOM 0 HB1 ALA A 75 -5.440 -16.407 42.167 1.00 44.32 H new ATOM 0 HB2 ALA A 75 -6.467 -17.277 43.331 1.00 44.32 H new ATOM 0 HB3 ALA A 75 -6.556 -17.670 41.598 1.00 44.32 H new ATOM 975 N ASP A 76 -8.094 -15.767 39.789 1.00 50.02 N ATOM 976 CA ASP A 76 -8.080 -15.253 38.425 1.00 14.13 C ATOM 977 C ASP A 76 -8.648 -13.838 38.372 1.00 73.13 C ATOM 978 O ASP A 76 -8.197 -13.007 37.584 1.00 74.32 O ATOM 979 CB ASP A 76 -8.882 -16.172 37.502 1.00 71.44 C ATOM 980 CG ASP A 76 -9.145 -15.546 36.147 1.00 73.25 C ATOM 981 OD1 ASP A 76 -8.299 -14.752 35.686 1.00 61.24 O ATOM 982 OD2 ASP A 76 -10.198 -15.851 35.547 1.00 3.25 O ATOM 0 H ASP A 76 -8.671 -16.598 39.920 1.00 50.02 H new ATOM 0 HA ASP A 76 -7.045 -15.223 38.085 1.00 14.13 H new ATOM 0 HB2 ASP A 76 -8.341 -17.109 37.367 1.00 71.44 H new ATOM 0 HB3 ASP A 76 -9.832 -16.418 37.976 1.00 71.44 H new ATOM 986 N GLN A 77 -9.641 -13.572 39.215 1.00 51.50 N ATOM 987 CA GLN A 77 -10.271 -12.258 39.263 1.00 13.01 C ATOM 988 C GLN A 77 -9.536 -11.337 40.231 1.00 60.10 C ATOM 989 O GLN A 77 -9.365 -10.148 39.962 1.00 61.43 O ATOM 990 CB GLN A 77 -11.738 -12.387 39.677 1.00 51.43 C ATOM 991 CG GLN A 77 -12.375 -13.703 39.257 1.00 44.41 C ATOM 992 CD GLN A 77 -12.183 -14.000 37.783 1.00 31.11 C ATOM 993 OE1 GLN A 77 -11.849 -15.122 37.403 1.00 33.21 O ATOM 994 NE2 GLN A 77 -12.393 -12.992 36.943 1.00 75.23 N ATOM 0 H GLN A 77 -10.026 -14.249 39.874 1.00 51.50 H new ATOM 0 HA GLN A 77 -10.220 -11.822 38.265 1.00 13.01 H new ATOM 0 HB2 GLN A 77 -11.812 -12.286 40.760 1.00 51.43 H new ATOM 0 HB3 GLN A 77 -12.304 -11.564 39.241 1.00 51.43 H new ATOM 0 HG2 GLN A 77 -11.946 -14.514 39.846 1.00 44.41 H new ATOM 0 HG3 GLN A 77 -13.441 -13.674 39.482 1.00 44.41 H new ATOM 0 HE21 GLN A 77 -12.669 -12.078 37.302 1.00 75.23 H new ATOM 0 HE22 GLN A 77 -12.278 -13.132 35.939 1.00 75.23 H new ATOM 1001 N ALA A 78 -9.105 -11.894 41.358 1.00 2.01 N ATOM 1002 CA ALA A 78 -8.388 -11.122 42.365 1.00 12.30 C ATOM 1003 C ALA A 78 -7.319 -10.243 41.724 1.00 63.11 C ATOM 1004 O ALA A 78 -7.052 -9.135 42.190 1.00 73.23 O ATOM 1005 CB ALA A 78 -7.761 -12.051 43.394 1.00 61.54 C ATOM 0 H ALA A 78 -9.240 -12.877 41.596 1.00 2.01 H new ATOM 0 HA ALA A 78 -9.104 -10.471 42.867 1.00 12.30 H new ATOM 0 HB1 ALA A 78 -7.229 -11.461 44.140 1.00 61.54 H new ATOM 0 HB2 ALA A 78 -8.542 -12.634 43.882 1.00 61.54 H new ATOM 0 HB3 ALA A 78 -7.062 -12.725 42.898 1.00 61.54 H new ATOM 1011 N ARG A 79 -6.709 -10.744 40.655 1.00 23.44 N ATOM 1012 CA ARG A 79 -5.669 -10.004 39.952 1.00 41.32 C ATOM 1013 C ARG A 79 -6.274 -8.902 39.087 1.00 54.24 C ATOM 1014 O ARG A 79 -5.791 -7.770 39.080 1.00 32.51 O ATOM 1015 CB ARG A 79 -4.838 -10.951 39.083 1.00 62.33 C ATOM 1016 CG ARG A 79 -5.546 -11.388 37.810 1.00 23.30 C ATOM 1017 CD ARG A 79 -4.835 -12.560 37.152 1.00 50.11 C ATOM 1018 NE ARG A 79 -4.220 -12.184 35.882 1.00 41.11 N ATOM 1019 CZ ARG A 79 -3.935 -13.052 34.918 1.00 40.24 C ATOM 1020 NH1 ARG A 79 -4.207 -14.340 35.080 1.00 14.32 N ATOM 1021 NH2 ARG A 79 -3.375 -12.634 33.790 1.00 60.33 N ATOM 0 H ARG A 79 -6.917 -11.660 40.257 1.00 23.44 H new ATOM 0 HA ARG A 79 -5.021 -9.542 40.697 1.00 41.32 H new ATOM 0 HB2 ARG A 79 -3.902 -10.460 38.818 1.00 62.33 H new ATOM 0 HB3 ARG A 79 -4.580 -11.834 39.667 1.00 62.33 H new ATOM 0 HG2 ARG A 79 -6.574 -11.668 38.042 1.00 23.30 H new ATOM 0 HG3 ARG A 79 -5.593 -10.551 37.113 1.00 23.30 H new ATOM 0 HD2 ARG A 79 -4.069 -12.944 37.826 1.00 50.11 H new ATOM 0 HD3 ARG A 79 -5.547 -13.368 36.985 1.00 50.11 H new ATOM 0 HE ARG A 79 -3.997 -11.201 35.727 1.00 41.11 H new ATOM 0 HH11 ARG A 79 -4.636 -14.666 35.946 1.00 14.32 H new ATOM 0 HH12 ARG A 79 -3.987 -15.005 34.338 1.00 14.32 H new ATOM 0 HH21 ARG A 79 -3.163 -11.645 33.662 1.00 60.33 H new ATOM 0 HH22 ARG A 79 -3.157 -13.302 33.051 1.00 60.33 H new ATOM 1032 N ASP A 80 -7.332 -9.243 38.360 1.00 12.45 N ATOM 1033 CA ASP A 80 -8.003 -8.282 37.491 1.00 74.23 C ATOM 1034 C ASP A 80 -9.110 -7.551 38.244 1.00 22.21 C ATOM 1035 O ASP A 80 -9.102 -6.323 38.339 1.00 50.02 O ATOM 1036 CB ASP A 80 -8.585 -8.990 36.266 1.00 52.34 C ATOM 1037 CG ASP A 80 -7.509 -9.559 35.361 1.00 43.14 C ATOM 1038 OD1 ASP A 80 -6.440 -8.925 35.238 1.00 33.33 O ATOM 1039 OD2 ASP A 80 -7.735 -10.640 34.778 1.00 64.52 O ATOM 0 H ASP A 80 -7.744 -10.176 38.355 1.00 12.45 H new ATOM 0 HA ASP A 80 -7.266 -7.550 37.162 1.00 74.23 H new ATOM 0 HB2 ASP A 80 -9.243 -9.795 36.594 1.00 52.34 H new ATOM 0 HB3 ASP A 80 -9.197 -8.288 35.701 1.00 52.34 H new ATOM 1043 N TYR A 81 -10.060 -8.312 38.776 1.00 12.11 N ATOM 1044 CA TYR A 81 -11.175 -7.735 39.517 1.00 55.10 C ATOM 1045 C TYR A 81 -10.712 -6.559 40.371 1.00 11.34 C ATOM 1046 O TYR A 81 -11.185 -5.435 40.207 1.00 3.45 O ATOM 1047 CB TYR A 81 -11.828 -8.797 40.404 1.00 33.21 C ATOM 1048 CG TYR A 81 -13.230 -8.438 40.844 1.00 45.34 C ATOM 1049 CD1 TYR A 81 -14.148 -7.908 39.946 1.00 11.10 C ATOM 1050 CD2 TYR A 81 -13.635 -8.628 42.160 1.00 41.02 C ATOM 1051 CE1 TYR A 81 -15.429 -7.579 40.345 1.00 4.25 C ATOM 1052 CE2 TYR A 81 -14.914 -8.303 42.567 1.00 71.24 C ATOM 1053 CZ TYR A 81 -15.808 -7.778 41.656 1.00 11.30 C ATOM 1054 OH TYR A 81 -17.082 -7.452 42.059 1.00 10.12 O ATOM 0 H TYR A 81 -10.080 -9.330 38.708 1.00 12.11 H new ATOM 0 HA TYR A 81 -11.907 -7.371 38.796 1.00 55.10 H new ATOM 0 HB2 TYR A 81 -11.857 -9.743 39.863 1.00 33.21 H new ATOM 0 HB3 TYR A 81 -11.208 -8.953 41.287 1.00 33.21 H new ATOM 0 HD1 TYR A 81 -13.855 -7.751 38.918 1.00 11.10 H new ATOM 0 HD2 TYR A 81 -12.938 -9.037 42.876 1.00 41.02 H new ATOM 0 HE1 TYR A 81 -16.130 -7.168 39.634 1.00 4.25 H new ATOM 0 HE2 TYR A 81 -15.213 -8.459 43.593 1.00 71.24 H new ATOM 0 HH TYR A 81 -17.186 -7.655 43.012 1.00 10.12 H new ATOM 1063 N MET A 82 -9.783 -6.827 41.282 1.00 22.01 N ATOM 1064 CA MET A 82 -9.253 -5.791 42.161 1.00 71.41 C ATOM 1065 C MET A 82 -8.601 -4.674 41.353 1.00 25.14 C ATOM 1066 O MET A 82 -8.959 -3.504 41.492 1.00 55.34 O ATOM 1067 CB MET A 82 -8.239 -6.390 43.137 1.00 61.23 C ATOM 1068 CG MET A 82 -8.752 -7.621 43.868 1.00 10.41 C ATOM 1069 SD MET A 82 -9.494 -7.223 45.463 1.00 54.40 S ATOM 1070 CE MET A 82 -11.227 -7.146 45.020 1.00 73.14 C ATOM 0 H MET A 82 -9.381 -7.753 41.431 1.00 22.01 H new ATOM 0 HA MET A 82 -10.084 -5.369 42.726 1.00 71.41 H new ATOM 0 HB2 MET A 82 -7.333 -6.653 42.591 1.00 61.23 H new ATOM 0 HB3 MET A 82 -7.961 -5.632 43.869 1.00 61.23 H new ATOM 0 HG2 MET A 82 -9.489 -8.128 43.245 1.00 10.41 H new ATOM 0 HG3 MET A 82 -7.928 -8.319 44.019 1.00 10.41 H new ATOM 0 HE1 MET A 82 -11.716 -6.361 45.598 1.00 73.14 H new ATOM 0 HE2 MET A 82 -11.321 -6.926 43.957 1.00 73.14 H new ATOM 0 HE3 MET A 82 -11.701 -8.104 45.236 1.00 73.14 H new ATOM 1078 N GLY A 83 -7.642 -5.042 40.509 1.00 63.10 N ATOM 1079 CA GLY A 83 -6.955 -4.059 39.692 1.00 41.22 C ATOM 1080 C GLY A 83 -7.915 -3.158 38.941 1.00 3.03 C ATOM 1081 O GLY A 83 -7.556 -2.048 38.549 1.00 10.42 O ATOM 0 H GLY A 83 -7.329 -6.004 40.376 1.00 63.10 H new ATOM 0 HA2 GLY A 83 -6.311 -3.450 40.326 1.00 41.22 H new ATOM 0 HA3 GLY A 83 -6.309 -4.571 38.979 1.00 41.22 H new ATOM 1084 N ALA A 84 -9.137 -3.636 38.737 1.00 74.25 N ATOM 1085 CA ALA A 84 -10.151 -2.866 38.027 1.00 61.04 C ATOM 1086 C ALA A 84 -11.028 -2.086 39.000 1.00 2.54 C ATOM 1087 O ALA A 84 -11.362 -0.927 38.756 1.00 22.05 O ATOM 1088 CB ALA A 84 -11.004 -3.784 37.165 1.00 52.15 C ATOM 0 H ALA A 84 -9.450 -4.554 39.054 1.00 74.25 H new ATOM 0 HA ALA A 84 -9.642 -2.150 37.382 1.00 61.04 H new ATOM 0 HB1 ALA A 84 -11.757 -3.195 36.641 1.00 52.15 H new ATOM 0 HB2 ALA A 84 -10.371 -4.293 36.438 1.00 52.15 H new ATOM 0 HB3 ALA A 84 -11.497 -4.523 37.797 1.00 52.15 H new ATOM 1094 N ALA A 85 -11.398 -2.728 40.103 1.00 73.12 N ATOM 1095 CA ALA A 85 -12.235 -2.093 41.113 1.00 23.02 C ATOM 1096 C ALA A 85 -11.385 -1.432 42.194 1.00 23.12 C ATOM 1097 O ALA A 85 -11.216 -0.212 42.206 1.00 74.24 O ATOM 1098 CB ALA A 85 -13.181 -3.111 41.731 1.00 71.12 C ATOM 0 H ALA A 85 -11.131 -3.688 40.320 1.00 73.12 H new ATOM 0 HA ALA A 85 -12.824 -1.316 40.625 1.00 23.02 H new ATOM 0 HB1 ALA A 85 -13.800 -2.623 42.484 1.00 71.12 H new ATOM 0 HB2 ALA A 85 -13.819 -3.533 40.955 1.00 71.12 H new ATOM 0 HB3 ALA A 85 -12.603 -3.908 42.198 1.00 71.12 H new ATOM 1104 N LYS A 86 -10.853 -2.245 43.101 1.00 32.41 N ATOM 1105 CA LYS A 86 -10.021 -1.740 44.186 1.00 33.31 C ATOM 1106 C LYS A 86 -9.049 -0.680 43.679 1.00 31.05 C ATOM 1107 O LYS A 86 -8.732 0.275 44.387 1.00 63.01 O ATOM 1108 CB LYS A 86 -9.246 -2.888 44.837 1.00 2.04 C ATOM 1109 CG LYS A 86 -8.530 -2.490 46.117 1.00 34.13 C ATOM 1110 CD LYS A 86 -7.037 -2.328 45.893 1.00 3.13 C ATOM 1111 CE LYS A 86 -6.263 -2.429 47.199 1.00 71.13 C ATOM 1112 NZ LYS A 86 -6.539 -1.276 48.099 1.00 1.14 N ATOM 0 H LYS A 86 -10.984 -3.257 43.106 1.00 32.41 H new ATOM 0 HA LYS A 86 -10.674 -1.282 44.929 1.00 33.31 H new ATOM 0 HB2 LYS A 86 -9.936 -3.703 45.055 1.00 2.04 H new ATOM 0 HB3 LYS A 86 -8.514 -3.271 44.125 1.00 2.04 H new ATOM 0 HG2 LYS A 86 -8.946 -1.555 46.492 1.00 34.13 H new ATOM 0 HG3 LYS A 86 -8.704 -3.246 46.883 1.00 34.13 H new ATOM 0 HD2 LYS A 86 -6.687 -3.094 45.201 1.00 3.13 H new ATOM 0 HD3 LYS A 86 -6.841 -1.363 45.426 1.00 3.13 H new ATOM 0 HE2 LYS A 86 -6.527 -3.357 47.706 1.00 71.13 H new ATOM 0 HE3 LYS A 86 -5.195 -2.475 46.985 1.00 71.13 H new ATOM 0 HZ1 LYS A 86 -5.993 -1.383 48.977 1.00 1.14 H new ATOM 0 HZ2 LYS A 86 -6.264 -0.392 47.625 1.00 1.14 H new ATOM 0 HZ3 LYS A 86 -7.554 -1.246 48.324 1.00 1.14 H new ATOM 1122 N SER A 87 -8.581 -0.853 42.447 1.00 62.11 N ATOM 1123 CA SER A 87 -7.643 0.088 41.845 1.00 21.51 C ATOM 1124 C SER A 87 -8.372 1.325 41.328 1.00 51.14 C ATOM 1125 O SER A 87 -8.249 2.414 41.891 1.00 74.24 O ATOM 1126 CB SER A 87 -6.878 -0.582 40.702 1.00 61.42 C ATOM 1127 OG SER A 87 -5.497 -0.268 40.761 1.00 31.24 O ATOM 0 H SER A 87 -8.836 -1.636 41.846 1.00 62.11 H new ATOM 0 HA SER A 87 -6.935 0.399 42.613 1.00 21.51 H new ATOM 0 HB2 SER A 87 -7.011 -1.663 40.755 1.00 61.42 H new ATOM 0 HB3 SER A 87 -7.288 -0.257 39.746 1.00 61.42 H new ATOM 0 HG SER A 87 -5.029 -0.709 40.021 1.00 31.24 H new ATOM 1132 N LYS A 88 -9.131 1.150 40.253 1.00 34.32 N ATOM 1133 CA LYS A 88 -9.883 2.249 39.658 1.00 0.25 C ATOM 1134 C LYS A 88 -10.888 2.823 40.652 1.00 41.25 C ATOM 1135 O LYS A 88 -10.818 3.999 41.012 1.00 54.13 O ATOM 1136 CB LYS A 88 -10.609 1.775 38.397 1.00 63.14 C ATOM 1137 CG LYS A 88 -10.587 2.786 37.265 1.00 0.31 C ATOM 1138 CD LYS A 88 -11.898 3.547 37.170 1.00 25.02 C ATOM 1139 CE LYS A 88 -11.740 4.834 36.374 1.00 2.33 C ATOM 1140 NZ LYS A 88 -13.057 5.416 35.993 1.00 4.40 N ATOM 0 H LYS A 88 -9.242 0.256 39.774 1.00 34.32 H new ATOM 0 HA LYS A 88 -9.177 3.034 39.389 1.00 0.25 H new ATOM 0 HB2 LYS A 88 -10.153 0.847 38.053 1.00 63.14 H new ATOM 0 HB3 LYS A 88 -11.645 1.547 38.649 1.00 63.14 H new ATOM 0 HG2 LYS A 88 -9.768 3.489 37.420 1.00 0.31 H new ATOM 0 HG3 LYS A 88 -10.394 2.274 36.322 1.00 0.31 H new ATOM 0 HD2 LYS A 88 -12.652 2.917 36.699 1.00 25.02 H new ATOM 0 HD3 LYS A 88 -12.258 3.780 38.172 1.00 25.02 H new ATOM 0 HE2 LYS A 88 -11.179 5.559 36.964 1.00 2.33 H new ATOM 0 HE3 LYS A 88 -11.157 4.636 35.475 1.00 2.33 H new ATOM 0 HZ1 LYS A 88 -12.906 6.291 35.452 1.00 4.40 H new ATOM 0 HZ2 LYS A 88 -13.582 4.734 35.409 1.00 4.40 H new ATOM 0 HZ3 LYS A 88 -13.604 5.629 36.852 1.00 4.40 H new ATOM 1150 N LEU A 89 -11.820 1.984 41.093 1.00 2.45 N ATOM 1151 CA LEU A 89 -12.838 2.408 42.047 1.00 63.52 C ATOM 1152 C LEU A 89 -12.227 3.264 43.153 1.00 15.11 C ATOM 1153 O LEU A 89 -12.685 4.375 43.415 1.00 43.41 O ATOM 1154 CB LEU A 89 -13.532 1.188 42.657 1.00 22.51 C ATOM 1155 CG LEU A 89 -14.804 1.470 43.457 1.00 71.04 C ATOM 1156 CD1 LEU A 89 -15.792 0.323 43.311 1.00 72.22 C ATOM 1157 CD2 LEU A 89 -14.471 1.705 44.924 1.00 14.03 C ATOM 0 H LEU A 89 -11.891 1.008 40.805 1.00 2.45 H new ATOM 0 HA LEU A 89 -13.573 3.009 41.512 1.00 63.52 H new ATOM 0 HB2 LEU A 89 -13.779 0.495 41.852 1.00 22.51 H new ATOM 0 HB3 LEU A 89 -12.822 0.679 43.309 1.00 22.51 H new ATOM 0 HG LEU A 89 -15.266 2.374 43.060 1.00 71.04 H new ATOM 0 HD11 LEU A 89 -16.691 0.542 43.887 1.00 72.22 H new ATOM 0 HD12 LEU A 89 -16.055 0.201 42.260 1.00 72.22 H new ATOM 0 HD13 LEU A 89 -15.339 -0.597 43.681 1.00 72.22 H new ATOM 0 HD21 LEU A 89 -15.388 1.904 45.478 1.00 14.03 H new ATOM 0 HD22 LEU A 89 -13.985 0.819 45.333 1.00 14.03 H new ATOM 0 HD23 LEU A 89 -13.801 2.560 45.013 1.00 14.03 H new ATOM 1168 N ASN A 90 -11.189 2.738 43.795 1.00 64.22 N ATOM 1169 CA ASN A 90 -10.514 3.456 44.871 1.00 40.34 C ATOM 1170 C ASN A 90 -9.732 4.645 44.324 1.00 43.21 C ATOM 1171 O ASN A 90 -10.022 5.796 44.652 1.00 32.33 O ATOM 1172 CB ASN A 90 -9.572 2.515 45.626 1.00 1.23 C ATOM 1173 CG ASN A 90 -9.400 2.913 47.080 1.00 13.01 C ATOM 1174 OD1 ASN A 90 -8.379 3.485 47.461 1.00 72.33 O ATOM 1175 ND2 ASN A 90 -10.402 2.612 47.898 1.00 74.00 N ATOM 0 H ASN A 90 -10.797 1.819 43.590 1.00 64.22 H new ATOM 0 HA ASN A 90 -11.273 3.829 45.559 1.00 40.34 H new ATOM 0 HB2 ASN A 90 -9.960 1.498 45.574 1.00 1.23 H new ATOM 0 HB3 ASN A 90 -8.598 2.510 45.136 1.00 1.23 H new ATOM 0 HD21 ASN A 90 -10.344 2.856 48.887 1.00 74.00 H new ATOM 0 HD22 ASN A 90 -11.230 2.137 47.537 1.00 74.00 H new ATOM 1181 N ASP A 91 -8.738 4.360 43.489 1.00 13.03 N ATOM 1182 CA ASP A 91 -7.914 5.407 42.894 1.00 64.54 C ATOM 1183 C ASP A 91 -8.780 6.439 42.179 1.00 24.02 C ATOM 1184 O ASP A 91 -8.332 7.550 41.897 1.00 35.51 O ATOM 1185 CB ASP A 91 -6.909 4.799 41.916 1.00 1.44 C ATOM 1186 CG ASP A 91 -5.983 3.801 42.582 1.00 14.41 C ATOM 1187 OD1 ASP A 91 -5.825 3.871 43.819 1.00 22.32 O ATOM 1188 OD2 ASP A 91 -5.416 2.949 41.866 1.00 4.42 O ATOM 0 H ASP A 91 -8.483 3.413 43.209 1.00 13.03 H new ATOM 0 HA ASP A 91 -7.371 5.908 43.695 1.00 64.54 H new ATOM 0 HB2 ASP A 91 -7.447 4.306 41.106 1.00 1.44 H new ATOM 0 HB3 ASP A 91 -6.317 5.596 41.466 1.00 1.44 H new ATOM 1192 N ALA A 92 -10.022 6.064 41.889 1.00 14.25 N ATOM 1193 CA ALA A 92 -10.950 6.957 41.208 1.00 13.24 C ATOM 1194 C ALA A 92 -11.901 7.620 42.198 1.00 3.11 C ATOM 1195 O ALA A 92 -12.335 8.754 41.993 1.00 32.45 O ATOM 1196 CB ALA A 92 -11.734 6.195 40.149 1.00 32.34 C ATOM 0 H ALA A 92 -10.408 5.147 42.115 1.00 14.25 H new ATOM 0 HA ALA A 92 -10.370 7.741 40.721 1.00 13.24 H new ATOM 0 HB1 ALA A 92 -12.424 6.874 39.648 1.00 32.34 H new ATOM 0 HB2 ALA A 92 -11.044 5.774 39.418 1.00 32.34 H new ATOM 0 HB3 ALA A 92 -12.297 5.390 40.622 1.00 32.34 H new ATOM 1202 N VAL A 93 -12.220 6.907 43.273 1.00 33.23 N ATOM 1203 CA VAL A 93 -13.120 7.427 44.296 1.00 32.15 C ATOM 1204 C VAL A 93 -12.355 7.804 45.559 1.00 70.12 C ATOM 1205 O VAL A 93 -12.565 8.875 46.127 1.00 23.31 O ATOM 1206 CB VAL A 93 -14.212 6.403 44.657 1.00 13.53 C ATOM 1207 CG1 VAL A 93 -13.755 5.517 45.806 1.00 43.21 C ATOM 1208 CG2 VAL A 93 -15.513 7.110 45.002 1.00 22.32 C ATOM 0 H VAL A 93 -11.869 5.968 43.458 1.00 33.23 H new ATOM 0 HA VAL A 93 -13.591 8.317 43.880 1.00 32.15 H new ATOM 0 HB VAL A 93 -14.390 5.768 43.789 1.00 13.53 H new ATOM 0 HG11 VAL A 93 -14.540 4.800 46.047 1.00 43.21 H new ATOM 0 HG12 VAL A 93 -12.851 4.982 45.515 1.00 43.21 H new ATOM 0 HG13 VAL A 93 -13.546 6.134 46.680 1.00 43.21 H new ATOM 0 HG21 VAL A 93 -16.273 6.371 45.254 1.00 22.32 H new ATOM 0 HG22 VAL A 93 -15.353 7.771 45.854 1.00 22.32 H new ATOM 0 HG23 VAL A 93 -15.847 7.696 44.146 1.00 22.32 H new ATOM 1218 N GLU A 94 -11.466 6.916 45.994 1.00 22.21 N ATOM 1219 CA GLU A 94 -10.671 7.156 47.192 1.00 1.42 C ATOM 1220 C GLU A 94 -9.612 8.225 46.936 1.00 11.33 C ATOM 1221 O GLU A 94 -9.331 9.057 47.800 1.00 72.45 O ATOM 1222 CB GLU A 94 -10.002 5.860 47.656 1.00 1.44 C ATOM 1223 CG GLU A 94 -9.845 5.762 49.163 1.00 52.15 C ATOM 1224 CD GLU A 94 -10.973 4.988 49.817 1.00 64.14 C ATOM 1225 OE1 GLU A 94 -12.146 5.258 49.487 1.00 33.43 O ATOM 1226 OE2 GLU A 94 -10.682 4.112 50.658 1.00 62.54 O ATOM 0 H GLU A 94 -11.279 6.025 45.535 1.00 22.21 H new ATOM 0 HA GLU A 94 -11.340 7.511 47.976 1.00 1.42 H new ATOM 0 HB2 GLU A 94 -10.589 5.012 47.305 1.00 1.44 H new ATOM 0 HB3 GLU A 94 -9.019 5.782 47.191 1.00 1.44 H new ATOM 0 HG2 GLU A 94 -8.896 5.279 49.395 1.00 52.15 H new ATOM 0 HG3 GLU A 94 -9.804 6.766 49.587 1.00 52.15 H new ATOM 1231 N TYR A 95 -9.028 8.196 45.744 1.00 10.42 N ATOM 1232 CA TYR A 95 -7.998 9.161 45.374 1.00 55.54 C ATOM 1233 C TYR A 95 -8.621 10.462 44.880 1.00 44.24 C ATOM 1234 O TYR A 95 -8.172 11.553 45.234 1.00 43.13 O ATOM 1235 CB TYR A 95 -7.087 8.576 44.292 1.00 40.10 C ATOM 1236 CG TYR A 95 -6.278 9.619 43.554 1.00 75.13 C ATOM 1237 CD1 TYR A 95 -5.098 10.118 44.090 1.00 75.00 C ATOM 1238 CD2 TYR A 95 -6.694 10.102 42.320 1.00 12.50 C ATOM 1239 CE1 TYR A 95 -4.356 11.071 43.419 1.00 75.33 C ATOM 1240 CE2 TYR A 95 -5.957 11.054 41.641 1.00 72.32 C ATOM 1241 CZ TYR A 95 -4.790 11.535 42.195 1.00 11.32 C ATOM 1242 OH TYR A 95 -4.053 12.484 41.523 1.00 52.40 O ATOM 0 H TYR A 95 -9.249 7.516 45.017 1.00 10.42 H new ATOM 0 HA TYR A 95 -7.405 9.378 46.262 1.00 55.54 H new ATOM 0 HB2 TYR A 95 -6.407 7.858 44.750 1.00 40.10 H new ATOM 0 HB3 TYR A 95 -7.696 8.026 43.575 1.00 40.10 H new ATOM 0 HD1 TYR A 95 -4.755 9.755 45.047 1.00 75.00 H new ATOM 0 HD2 TYR A 95 -7.608 9.728 41.884 1.00 12.50 H new ATOM 0 HE1 TYR A 95 -3.442 11.450 43.851 1.00 75.33 H new ATOM 0 HE2 TYR A 95 -6.294 11.419 40.682 1.00 72.32 H new ATOM 0 HH TYR A 95 -4.495 12.702 40.676 1.00 52.40 H new ATOM 1251 N VAL A 96 -9.660 10.340 44.062 1.00 74.42 N ATOM 1252 CA VAL A 96 -10.349 11.505 43.520 1.00 53.24 C ATOM 1253 C VAL A 96 -11.417 12.010 44.484 1.00 11.22 C ATOM 1254 O VAL A 96 -11.311 13.111 45.023 1.00 22.03 O ATOM 1255 CB VAL A 96 -11.006 11.188 42.163 1.00 24.23 C ATOM 1256 CG1 VAL A 96 -11.356 12.472 41.427 1.00 1.44 C ATOM 1257 CG2 VAL A 96 -10.093 10.312 41.321 1.00 13.22 C ATOM 0 H VAL A 96 -10.044 9.445 43.759 1.00 74.42 H new ATOM 0 HA VAL A 96 -9.596 12.280 43.378 1.00 53.24 H new ATOM 0 HB VAL A 96 -11.930 10.639 42.345 1.00 24.23 H new ATOM 0 HG11 VAL A 96 -11.819 12.229 40.471 1.00 1.44 H new ATOM 0 HG12 VAL A 96 -12.051 13.058 42.028 1.00 1.44 H new ATOM 0 HG13 VAL A 96 -10.449 13.051 41.254 1.00 1.44 H new ATOM 0 HG21 VAL A 96 -10.573 10.098 40.366 1.00 13.22 H new ATOM 0 HG22 VAL A 96 -9.151 10.831 41.145 1.00 13.22 H new ATOM 0 HG23 VAL A 96 -9.899 9.377 41.847 1.00 13.22 H new ATOM 1267 N SER A 97 -12.446 11.196 44.697 1.00 63.14 N ATOM 1268 CA SER A 97 -13.536 11.562 45.595 1.00 72.25 C ATOM 1269 C SER A 97 -13.023 11.767 47.017 1.00 71.43 C ATOM 1270 O SER A 97 -13.686 12.393 47.844 1.00 31.35 O ATOM 1271 CB SER A 97 -14.619 10.480 45.582 1.00 3.01 C ATOM 1272 OG SER A 97 -15.911 11.054 45.494 1.00 22.35 O ATOM 0 H SER A 97 -12.548 10.280 44.261 1.00 63.14 H new ATOM 0 HA SER A 97 -13.965 12.501 45.244 1.00 72.25 H new ATOM 0 HB2 SER A 97 -14.457 9.809 44.738 1.00 3.01 H new ATOM 0 HB3 SER A 97 -14.546 9.877 46.487 1.00 3.01 H new ATOM 0 HG SER A 97 -15.902 11.945 45.902 1.00 22.35 H new ATOM 1277 N GLY A 98 -11.837 11.235 47.294 1.00 50.32 N ATOM 1278 CA GLY A 98 -11.253 11.371 48.617 1.00 33.51 C ATOM 1279 C GLY A 98 -10.398 12.614 48.748 1.00 10.43 C ATOM 1280 O GLY A 98 -10.121 13.071 49.857 1.00 25.44 O ATOM 0 H GLY A 98 -11.270 10.712 46.627 1.00 50.32 H new ATOM 0 HA2 GLY A 98 -12.049 11.401 49.361 1.00 33.51 H new ATOM 0 HA3 GLY A 98 -10.646 10.492 48.835 1.00 33.51 H new ATOM 1283 N ARG A 99 -9.975 13.163 47.613 1.00 63.05 N ATOM 1284 CA ARG A 99 -9.143 14.360 47.607 1.00 41.23 C ATOM 1285 C ARG A 99 -10.002 15.620 47.606 1.00 60.11 C ATOM 1286 O ARG A 99 -9.664 16.615 48.247 1.00 23.41 O ATOM 1287 CB ARG A 99 -8.219 14.358 46.387 1.00 61.51 C ATOM 1288 CG ARG A 99 -6.837 13.793 46.670 1.00 41.20 C ATOM 1289 CD ARG A 99 -5.779 14.886 46.680 1.00 34.44 C ATOM 1290 NE ARG A 99 -5.704 15.563 47.972 1.00 33.23 N ATOM 1291 CZ ARG A 99 -4.833 16.527 48.246 1.00 44.43 C ATOM 1292 NH1 ARG A 99 -3.968 16.925 47.323 1.00 43.31 N ATOM 1293 NH2 ARG A 99 -4.825 17.095 49.446 1.00 34.32 N ATOM 0 H ARG A 99 -10.195 12.798 46.686 1.00 63.05 H new ATOM 0 HA ARG A 99 -8.537 14.356 48.513 1.00 41.23 H new ATOM 0 HB2 ARG A 99 -8.684 13.776 45.591 1.00 61.51 H new ATOM 0 HB3 ARG A 99 -8.116 15.378 46.018 1.00 61.51 H new ATOM 0 HG2 ARG A 99 -6.842 13.281 47.632 1.00 41.20 H new ATOM 0 HG3 ARG A 99 -6.585 13.049 45.915 1.00 41.20 H new ATOM 0 HD2 ARG A 99 -4.808 14.453 46.441 1.00 34.44 H new ATOM 0 HD3 ARG A 99 -6.003 15.615 45.901 1.00 34.44 H new ATOM 0 HE ARG A 99 -6.356 15.280 48.703 1.00 33.23 H new ATOM 0 HH11 ARG A 99 -3.971 16.490 46.400 1.00 43.31 H new ATOM 0 HH12 ARG A 99 -3.300 17.666 47.536 1.00 43.31 H new ATOM 0 HH21 ARG A 99 -5.488 16.791 50.159 1.00 34.32 H new ATOM 0 HH22 ARG A 99 -4.155 17.835 49.655 1.00 34.32 H new ATOM 1304 N VAL A 100 -11.116 15.571 46.881 1.00 53.53 N ATOM 1305 CA VAL A 100 -12.024 16.708 46.797 1.00 54.13 C ATOM 1306 C VAL A 100 -13.018 16.703 47.952 1.00 22.10 C ATOM 1307 O VAL A 100 -13.259 17.733 48.583 1.00 44.53 O ATOM 1308 CB VAL A 100 -12.800 16.708 45.466 1.00 2.04 C ATOM 1309 CG1 VAL A 100 -13.595 17.996 45.313 1.00 15.31 C ATOM 1310 CG2 VAL A 100 -11.848 16.517 44.295 1.00 53.12 C ATOM 0 H VAL A 100 -11.411 14.756 46.344 1.00 53.53 H new ATOM 0 HA VAL A 100 -11.412 17.608 46.853 1.00 54.13 H new ATOM 0 HB VAL A 100 -13.502 15.874 45.473 1.00 2.04 H new ATOM 0 HG11 VAL A 100 -14.137 17.979 44.367 1.00 15.31 H new ATOM 0 HG12 VAL A 100 -14.304 18.086 46.136 1.00 15.31 H new ATOM 0 HG13 VAL A 100 -12.914 18.847 45.326 1.00 15.31 H new ATOM 0 HG21 VAL A 100 -12.413 16.519 43.363 1.00 53.12 H new ATOM 0 HG22 VAL A 100 -11.121 17.329 44.281 1.00 53.12 H new ATOM 0 HG23 VAL A 100 -11.327 15.565 44.401 1.00 53.12 H new ATOM 1320 N HIS A 101 -13.595 15.536 48.225 1.00 3.02 N ATOM 1321 CA HIS A 101 -14.564 15.397 49.306 1.00 41.43 C ATOM 1322 C HIS A 101 -13.934 14.712 50.515 1.00 51.41 C ATOM 1323 O HIS A 101 -14.616 14.029 51.279 1.00 12.53 O ATOM 1324 CB HIS A 101 -15.781 14.602 48.830 1.00 44.52 C ATOM 1325 CG HIS A 101 -16.310 15.055 47.505 1.00 72.43 C ATOM 1326 ND1 HIS A 101 -16.735 14.182 46.526 1.00 54.55 N ATOM 1327 CD2 HIS A 101 -16.485 16.297 46.999 1.00 30.53 C ATOM 1328 CE1 HIS A 101 -17.146 14.867 45.474 1.00 61.54 C ATOM 1329 NE2 HIS A 101 -17.006 16.154 45.737 1.00 13.12 N ATOM 0 H HIS A 101 -13.408 14.674 47.713 1.00 3.02 H new ATOM 0 HA HIS A 101 -14.886 16.395 49.603 1.00 41.43 H new ATOM 0 HB2 HIS A 101 -15.513 13.548 48.764 1.00 44.52 H new ATOM 0 HB3 HIS A 101 -16.572 14.684 49.575 1.00 44.52 H new ATOM 0 HD2 HIS A 101 -16.257 17.229 47.496 1.00 30.53 H new ATOM 0 HE1 HIS A 101 -17.531 14.447 44.556 1.00 61.54 H new ATOM 0 HE2 HIS A 101 -17.246 16.918 45.105 1.00 13.12 H new