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 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= -0.0983 K(o=-0.098,f=-0.61) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00194 (180deg=-0.0857) 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 : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0126) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.381 K(o=-0.38,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.418 F(o=-1.9,f=-0.42) USER MOD Single : A 77 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.79) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -169:sc= -0.0135 (180deg=-0.15) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.175 K(o=0.17,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.415 32.263 16.832 1.00 51.33 N ATOM 281 CA LYS A 23 -6.602 31.538 16.394 1.00 42.43 C ATOM 282 C LYS A 23 -6.386 30.922 15.015 1.00 13.31 C ATOM 283 O LYS A 23 -6.277 29.704 14.880 1.00 61.33 O ATOM 284 CB LYS A 23 -7.813 32.474 16.362 1.00 52.15 C ATOM 285 CG LYS A 23 -7.459 33.916 16.041 1.00 71.05 C ATOM 286 CD LYS A 23 -8.537 34.580 15.201 1.00 45.02 C ATOM 287 CE LYS A 23 -8.561 34.025 13.785 1.00 51.43 C ATOM 288 NZ LYS A 23 -9.616 34.669 12.955 1.00 3.43 N ATOM 0 HA LYS A 23 -6.790 30.734 17.106 1.00 42.43 H new ATOM 0 HB2 LYS A 23 -8.524 32.109 15.620 1.00 52.15 H new ATOM 0 HB3 LYS A 23 -8.315 32.438 17.329 1.00 52.15 H new ATOM 0 HG2 LYS A 23 -7.323 34.473 16.968 1.00 71.05 H new ATOM 0 HG3 LYS A 23 -6.509 33.949 15.508 1.00 71.05 H new ATOM 0 HD2 LYS A 23 -9.510 34.428 15.669 1.00 45.02 H new ATOM 0 HD3 LYS A 23 -8.363 35.656 15.168 1.00 45.02 H new ATOM 0 HE2 LYS A 23 -7.588 34.178 13.318 1.00 51.43 H new ATOM 0 HE3 LYS A 23 -8.732 32.949 13.819 1.00 51.43 H new ATOM 0 HZ1 LYS A 23 -9.600 34.264 11.997 1.00 3.43 H new ATOM 0 HZ2 LYS A 23 -10.547 34.502 13.386 1.00 3.43 H new ATOM 0 HZ3 LYS A 23 -9.439 35.692 12.901 1.00 3.43 H new ATOM 298 N SER A 24 -6.324 31.771 13.996 1.00 24.23 N ATOM 299 CA SER A 24 -6.122 31.310 12.627 1.00 44.04 C ATOM 300 C SER A 24 -5.156 30.130 12.588 1.00 33.31 C ATOM 301 O SER A 24 -5.254 29.260 11.722 1.00 12.54 O ATOM 302 CB SER A 24 -5.589 32.449 11.755 1.00 62.34 C ATOM 303 OG SER A 24 -6.479 32.734 10.690 1.00 64.11 O ATOM 0 H SER A 24 -6.411 32.783 14.092 1.00 24.23 H new ATOM 0 HA SER A 24 -7.085 30.982 12.235 1.00 44.04 H new ATOM 0 HB2 SER A 24 -5.447 33.342 12.364 1.00 62.34 H new ATOM 0 HB3 SER A 24 -4.612 32.178 11.354 1.00 62.34 H new ATOM 0 HG SER A 24 -6.117 33.466 10.148 1.00 64.11 H new ATOM 308 N TYR A 25 -4.222 30.107 13.533 1.00 50.35 N ATOM 309 CA TYR A 25 -3.237 29.035 13.607 1.00 32.52 C ATOM 310 C TYR A 25 -3.768 27.861 14.423 1.00 35.25 C ATOM 311 O TYR A 25 -3.699 26.710 13.994 1.00 31.13 O ATOM 312 CB TYR A 25 -1.936 29.552 14.224 1.00 71.11 C ATOM 313 CG TYR A 25 -1.347 30.736 13.490 1.00 54.20 C ATOM 314 CD1 TYR A 25 -2.005 31.960 13.465 1.00 20.25 C ATOM 315 CD2 TYR A 25 -0.133 30.631 12.822 1.00 43.14 C ATOM 316 CE1 TYR A 25 -1.471 33.044 12.796 1.00 32.13 C ATOM 317 CE2 TYR A 25 0.408 31.711 12.152 1.00 45.32 C ATOM 318 CZ TYR A 25 -0.264 32.915 12.141 1.00 63.11 C ATOM 319 OH TYR A 25 0.271 33.993 11.473 1.00 75.35 O ATOM 0 H TYR A 25 -4.127 30.818 14.258 1.00 50.35 H new ATOM 0 HA TYR A 25 -3.039 28.688 12.593 1.00 32.52 H new ATOM 0 HB2 TYR A 25 -2.122 29.833 15.261 1.00 71.11 H new ATOM 0 HB3 TYR A 25 -1.205 28.744 14.239 1.00 71.11 H new ATOM 0 HD1 TYR A 25 -2.950 32.065 13.977 1.00 20.25 H new ATOM 0 HD2 TYR A 25 0.396 29.690 12.827 1.00 43.14 H new ATOM 0 HE1 TYR A 25 -1.996 33.988 12.786 1.00 32.13 H new ATOM 0 HE2 TYR A 25 1.353 31.613 11.639 1.00 45.32 H new ATOM 0 HH TYR A 25 1.125 33.735 11.067 1.00 75.35 H new ATOM 328 N ALA A 26 -4.299 28.161 15.604 1.00 30.15 N ATOM 329 CA ALA A 26 -4.844 27.133 16.481 1.00 2.43 C ATOM 330 C ALA A 26 -6.176 26.611 15.953 1.00 44.30 C ATOM 331 O ALA A 26 -6.382 25.402 15.850 1.00 21.22 O ATOM 332 CB ALA A 26 -5.010 27.677 17.892 1.00 14.32 C ATOM 0 H ALA A 26 -4.363 29.109 15.975 1.00 30.15 H new ATOM 0 HA ALA A 26 -4.141 26.300 16.505 1.00 2.43 H new ATOM 0 HB1 ALA A 26 -5.418 26.898 18.536 1.00 14.32 H new ATOM 0 HB2 ALA A 26 -4.041 27.995 18.276 1.00 14.32 H new ATOM 0 HB3 ALA A 26 -5.691 28.528 17.876 1.00 14.32 H new ATOM 338 N GLU A 27 -7.076 27.531 15.619 1.00 74.24 N ATOM 339 CA GLU A 27 -8.389 27.161 15.103 1.00 4.10 C ATOM 340 C GLU A 27 -8.258 26.254 13.883 1.00 31.00 C ATOM 341 O GLU A 27 -8.788 25.143 13.864 1.00 2.21 O ATOM 342 CB GLU A 27 -9.188 28.414 14.736 1.00 33.03 C ATOM 343 CG GLU A 27 -10.629 28.125 14.350 1.00 72.21 C ATOM 344 CD GLU A 27 -11.622 28.631 15.379 1.00 3.32 C ATOM 345 OE1 GLU A 27 -11.667 28.064 16.490 1.00 61.33 O ATOM 346 OE2 GLU A 27 -12.354 29.595 15.071 1.00 42.10 O ATOM 0 H GLU A 27 -6.920 28.536 15.696 1.00 74.24 H new ATOM 0 HA GLU A 27 -8.918 26.616 15.885 1.00 4.10 H new ATOM 0 HB2 GLU A 27 -9.178 29.102 15.582 1.00 33.03 H new ATOM 0 HB3 GLU A 27 -8.693 28.921 13.907 1.00 33.03 H new ATOM 0 HG2 GLU A 27 -10.843 28.587 13.386 1.00 72.21 H new ATOM 0 HG3 GLU A 27 -10.759 27.050 14.223 1.00 72.21 H new ATOM 351 N GLN A 28 -7.549 26.736 12.867 1.00 72.20 N ATOM 352 CA GLN A 28 -7.350 25.969 11.643 1.00 20.43 C ATOM 353 C GLN A 28 -6.957 24.530 11.960 1.00 34.11 C ATOM 354 O GLN A 28 -7.344 23.600 11.254 1.00 13.13 O ATOM 355 CB GLN A 28 -6.274 26.624 10.775 1.00 2.50 C ATOM 356 CG GLN A 28 -4.872 26.507 11.351 1.00 41.43 C ATOM 357 CD GLN A 28 -3.804 26.994 10.392 1.00 40.42 C ATOM 358 OE1 GLN A 28 -4.073 27.803 9.504 1.00 40.55 O ATOM 359 NE2 GLN A 28 -2.583 26.504 10.566 1.00 74.50 N ATOM 0 H GLN A 28 -7.103 27.653 12.867 1.00 72.20 H new ATOM 0 HA GLN A 28 -8.292 25.957 11.095 1.00 20.43 H new ATOM 0 HB2 GLN A 28 -6.290 26.168 9.785 1.00 2.50 H new ATOM 0 HB3 GLN A 28 -6.517 27.678 10.644 1.00 2.50 H new ATOM 0 HG2 GLN A 28 -4.814 27.082 12.275 1.00 41.43 H new ATOM 0 HG3 GLN A 28 -4.675 25.467 11.610 1.00 41.43 H new ATOM 0 HE21 GLN A 28 -2.404 25.835 11.315 1.00 74.50 H new ATOM 0 HE22 GLN A 28 -1.824 26.796 9.951 1.00 74.50 H new ATOM 366 N GLY A 29 -6.185 24.354 13.029 1.00 44.00 N ATOM 367 CA GLY A 29 -5.751 23.025 13.420 1.00 4.54 C ATOM 368 C GLY A 29 -6.871 22.209 14.036 1.00 5.11 C ATOM 369 O GLY A 29 -7.061 21.043 13.691 1.00 13.11 O ATOM 0 H GLY A 29 -5.853 25.108 13.631 1.00 44.00 H new ATOM 0 HA2 GLY A 29 -5.361 22.501 12.547 1.00 4.54 H new ATOM 0 HA3 GLY A 29 -4.931 23.109 14.134 1.00 4.54 H new ATOM 372 N LYS A 30 -7.613 22.822 14.951 1.00 14.14 N ATOM 373 CA LYS A 30 -8.720 22.146 15.618 1.00 70.44 C ATOM 374 C LYS A 30 -9.838 21.828 14.631 1.00 65.34 C ATOM 375 O LYS A 30 -10.367 20.717 14.615 1.00 21.42 O ATOM 376 CB LYS A 30 -9.261 23.011 16.757 1.00 11.02 C ATOM 377 CG LYS A 30 -8.994 22.437 18.138 1.00 72.13 C ATOM 378 CD LYS A 30 -8.987 23.522 19.201 1.00 20.33 C ATOM 379 CE LYS A 30 -10.397 23.868 19.655 1.00 41.12 C ATOM 380 NZ LYS A 30 -10.974 22.810 20.530 1.00 31.13 N ATOM 0 H LYS A 30 -7.468 23.787 15.248 1.00 14.14 H new ATOM 0 HA LYS A 30 -8.345 21.209 16.029 1.00 70.44 H new ATOM 0 HB2 LYS A 30 -8.814 24.003 16.693 1.00 11.02 H new ATOM 0 HB3 LYS A 30 -10.336 23.137 16.627 1.00 11.02 H new ATOM 0 HG2 LYS A 30 -9.756 21.696 18.378 1.00 72.13 H new ATOM 0 HG3 LYS A 30 -8.035 21.920 18.139 1.00 72.13 H new ATOM 0 HD2 LYS A 30 -8.399 23.190 20.057 1.00 20.33 H new ATOM 0 HD3 LYS A 30 -8.501 24.415 18.808 1.00 20.33 H new ATOM 0 HE2 LYS A 30 -10.383 24.816 20.193 1.00 41.12 H new ATOM 0 HE3 LYS A 30 -11.036 24.006 18.783 1.00 41.12 H new ATOM 0 HZ1 LYS A 30 -11.832 23.172 20.993 1.00 31.13 H new ATOM 0 HZ2 LYS A 30 -11.216 21.978 19.955 1.00 31.13 H new ATOM 0 HZ3 LYS A 30 -10.278 22.540 21.254 1.00 31.13 H new ATOM 390 N GLU A 31 -10.191 22.810 13.807 1.00 22.22 N ATOM 391 CA GLU A 31 -11.246 22.634 12.816 1.00 31.33 C ATOM 392 C GLU A 31 -11.088 21.304 12.086 1.00 53.44 C ATOM 393 O GLU A 31 -12.073 20.686 11.680 1.00 41.32 O ATOM 394 CB GLU A 31 -11.229 23.786 11.810 1.00 24.31 C ATOM 395 CG GLU A 31 -11.586 25.132 12.419 1.00 64.54 C ATOM 396 CD GLU A 31 -12.601 25.895 11.591 1.00 15.44 C ATOM 397 OE1 GLU A 31 -12.214 26.456 10.545 1.00 1.24 O ATOM 398 OE2 GLU A 31 -13.784 25.931 11.991 1.00 13.03 O ATOM 0 H GLU A 31 -9.762 23.735 13.806 1.00 22.22 H new ATOM 0 HA GLU A 31 -12.203 22.632 13.337 1.00 31.33 H new ATOM 0 HB2 GLU A 31 -10.238 23.851 11.362 1.00 24.31 H new ATOM 0 HB3 GLU A 31 -11.929 23.564 11.005 1.00 24.31 H new ATOM 0 HG2 GLU A 31 -11.983 24.979 13.423 1.00 64.54 H new ATOM 0 HG3 GLU A 31 -10.682 25.732 12.522 1.00 64.54 H new ATOM 403 N TYR A 32 -9.844 20.869 11.922 1.00 23.22 N ATOM 404 CA TYR A 32 -9.556 19.614 11.238 1.00 41.53 C ATOM 405 C TYR A 32 -9.792 18.423 12.163 1.00 62.14 C ATOM 406 O TYR A 32 -10.221 17.356 11.722 1.00 11.14 O ATOM 407 CB TYR A 32 -8.113 19.604 10.731 1.00 53.13 C ATOM 408 CG TYR A 32 -7.672 18.263 10.189 1.00 62.14 C ATOM 409 CD1 TYR A 32 -7.432 17.192 11.040 1.00 53.53 C ATOM 410 CD2 TYR A 32 -7.495 18.068 8.825 1.00 70.52 C ATOM 411 CE1 TYR A 32 -7.027 15.966 10.550 1.00 55.54 C ATOM 412 CE2 TYR A 32 -7.092 16.844 8.325 1.00 22.33 C ATOM 413 CZ TYR A 32 -6.859 15.797 9.191 1.00 64.41 C ATOM 414 OH TYR A 32 -6.457 14.576 8.698 1.00 34.42 O ATOM 0 H TYR A 32 -9.018 21.367 12.254 1.00 23.22 H new ATOM 0 HA TYR A 32 -10.232 19.529 10.387 1.00 41.53 H new ATOM 0 HB2 TYR A 32 -8.006 20.356 9.949 1.00 53.13 H new ATOM 0 HB3 TYR A 32 -7.449 19.894 11.545 1.00 53.13 H new ATOM 0 HD1 TYR A 32 -7.564 17.320 12.104 1.00 53.53 H new ATOM 0 HD2 TYR A 32 -7.675 18.886 8.144 1.00 70.52 H new ATOM 0 HE1 TYR A 32 -6.843 15.144 11.226 1.00 55.54 H new ATOM 0 HE2 TYR A 32 -6.960 16.709 7.262 1.00 22.33 H new ATOM 0 HH TYR A 32 -6.387 14.624 7.722 1.00 34.42 H new ATOM 423 N ILE A 33 -9.506 18.614 13.446 1.00 4.51 N ATOM 424 CA ILE A 33 -9.688 17.558 14.434 1.00 21.32 C ATOM 425 C ILE A 33 -11.114 17.549 14.974 1.00 23.31 C ATOM 426 O ILE A 33 -11.832 16.557 14.849 1.00 62.41 O ATOM 427 CB ILE A 33 -8.705 17.713 15.610 1.00 73.01 C ATOM 428 CG1 ILE A 33 -7.307 17.247 15.199 1.00 33.13 C ATOM 429 CG2 ILE A 33 -9.197 16.929 16.817 1.00 13.13 C ATOM 430 CD1 ILE A 33 -6.602 18.205 14.266 1.00 63.41 C ATOM 0 H ILE A 33 -9.147 19.490 13.826 1.00 4.51 H new ATOM 0 HA ILE A 33 -9.489 16.614 13.927 1.00 21.32 H new ATOM 0 HB ILE A 33 -8.650 18.767 15.883 1.00 73.01 H new ATOM 0 HG12 ILE A 33 -6.700 17.111 16.094 1.00 33.13 H new ATOM 0 HG13 ILE A 33 -7.385 16.273 14.716 1.00 33.13 H new ATOM 0 HG21 ILE A 33 -8.492 17.048 17.640 1.00 13.13 H new ATOM 0 HG22 ILE A 33 -10.175 17.303 17.120 1.00 13.13 H new ATOM 0 HG23 ILE A 33 -9.277 15.873 16.557 1.00 13.13 H new ATOM 0 HD11 ILE A 33 -5.617 17.811 14.016 1.00 63.41 H new ATOM 0 HD12 ILE A 33 -7.188 18.322 13.354 1.00 63.41 H new ATOM 0 HD13 ILE A 33 -6.492 19.174 14.754 1.00 63.41 H new ATOM 441 N THR A 34 -11.519 18.663 15.575 1.00 3.32 N ATOM 442 CA THR A 34 -12.860 18.786 16.134 1.00 71.31 C ATOM 443 C THR A 34 -13.867 17.974 15.330 1.00 53.35 C ATOM 444 O THR A 34 -14.663 17.221 15.891 1.00 13.24 O ATOM 445 CB THR A 34 -13.319 20.255 16.177 1.00 13.03 C ATOM 446 OG1 THR A 34 -14.723 20.322 16.449 1.00 1.33 O ATOM 447 CG2 THR A 34 -13.018 20.955 14.860 1.00 75.34 C ATOM 0 H THR A 34 -10.938 19.493 15.687 1.00 3.32 H new ATOM 0 HA THR A 34 -12.814 18.398 17.152 1.00 71.31 H new ATOM 0 HB THR A 34 -12.771 20.761 16.972 1.00 13.03 H new ATOM 0 HG1 THR A 34 -15.007 21.260 16.476 1.00 1.33 H new ATOM 0 HG21 THR A 34 -13.351 21.991 14.914 1.00 75.34 H new ATOM 0 HG22 THR A 34 -11.945 20.928 14.671 1.00 75.34 H new ATOM 0 HG23 THR A 34 -13.542 20.447 14.050 1.00 75.34 H new ATOM 604 N PRO A 46 -11.858 -0.699 19.822 1.00 53.24 N ATOM 605 CA PRO A 46 -11.068 -1.800 19.263 1.00 24.44 C ATOM 606 C PRO A 46 -11.820 -3.126 19.289 1.00 21.24 C ATOM 607 O PRO A 46 -11.473 -4.060 18.567 1.00 3.10 O ATOM 608 CB PRO A 46 -9.845 -1.860 20.181 1.00 71.51 C ATOM 609 CG PRO A 46 -10.311 -1.282 21.472 1.00 10.03 C ATOM 610 CD PRO A 46 -11.326 -0.232 21.113 1.00 62.40 C ATOM 0 HA PRO A 46 -10.823 -1.634 18.214 1.00 24.44 H new ATOM 0 HB2 PRO A 46 -9.496 -2.885 20.309 1.00 71.51 H new ATOM 0 HB3 PRO A 46 -9.013 -1.289 19.769 1.00 71.51 H new ATOM 0 HG2 PRO A 46 -10.752 -2.050 22.107 1.00 10.03 H new ATOM 0 HG3 PRO A 46 -9.480 -0.848 22.028 1.00 10.03 H new ATOM 0 HD2 PRO A 46 -12.110 -0.156 21.867 1.00 62.40 H new ATOM 0 HD3 PRO A 46 -10.870 0.754 21.027 1.00 62.40 H new ATOM 615 N GLU A 47 -12.850 -3.200 20.125 1.00 30.20 N ATOM 616 CA GLU A 47 -13.650 -4.413 20.244 1.00 34.52 C ATOM 617 C GLU A 47 -14.828 -4.386 19.275 1.00 0.02 C ATOM 618 O GLU A 47 -15.588 -5.350 19.177 1.00 64.41 O ATOM 619 CB GLU A 47 -14.159 -4.576 21.678 1.00 72.55 C ATOM 620 CG GLU A 47 -14.834 -3.331 22.230 1.00 72.24 C ATOM 621 CD GLU A 47 -15.694 -3.624 23.444 1.00 64.12 C ATOM 622 OE1 GLU A 47 -15.273 -4.443 24.287 1.00 30.25 O ATOM 623 OE2 GLU A 47 -16.789 -3.033 23.550 1.00 0.12 O ATOM 0 H GLU A 47 -13.150 -2.435 20.729 1.00 30.20 H new ATOM 0 HA GLU A 47 -13.015 -5.262 19.992 1.00 34.52 H new ATOM 0 HB2 GLU A 47 -14.864 -5.407 21.712 1.00 72.55 H new ATOM 0 HB3 GLU A 47 -13.322 -4.842 22.324 1.00 72.55 H new ATOM 0 HG2 GLU A 47 -14.073 -2.598 22.497 1.00 72.24 H new ATOM 0 HG3 GLU A 47 -15.451 -2.881 21.452 1.00 72.24 H new ATOM 628 N ASP A 48 -14.974 -3.274 18.562 1.00 14.21 N ATOM 629 CA ASP A 48 -16.059 -3.120 17.600 1.00 10.13 C ATOM 630 C ASP A 48 -15.626 -3.585 16.213 1.00 30.34 C ATOM 631 O ASP A 48 -16.275 -3.279 15.215 1.00 53.00 O ATOM 632 CB ASP A 48 -16.515 -1.660 17.543 1.00 74.51 C ATOM 633 CG ASP A 48 -17.284 -1.245 18.782 1.00 23.03 C ATOM 634 OD1 ASP A 48 -17.093 -1.880 19.840 1.00 42.05 O ATOM 635 OD2 ASP A 48 -18.075 -0.284 18.693 1.00 42.52 O ATOM 0 H ASP A 48 -14.355 -2.467 18.632 1.00 14.21 H new ATOM 0 HA ASP A 48 -16.893 -3.741 17.927 1.00 10.13 H new ATOM 0 HB2 ASP A 48 -15.644 -1.015 17.426 1.00 74.51 H new ATOM 0 HB3 ASP A 48 -17.142 -1.512 16.663 1.00 74.51 H new ATOM 639 N ASN A 49 -14.523 -4.325 16.161 1.00 51.02 N ATOM 640 CA ASN A 49 -14.001 -4.831 14.897 1.00 50.24 C ATOM 641 C ASN A 49 -15.086 -5.570 14.118 1.00 3.45 C ATOM 642 O ASN A 49 -15.097 -5.562 12.886 1.00 31.44 O ATOM 643 CB ASN A 49 -12.814 -5.764 15.148 1.00 5.24 C ATOM 644 CG ASN A 49 -11.838 -5.782 13.987 1.00 55.31 C ATOM 645 OD1 ASN A 49 -11.257 -4.756 13.635 1.00 64.12 O ATOM 646 ND2 ASN A 49 -11.655 -6.952 13.387 1.00 1.01 N ATOM 0 H ASN A 49 -13.974 -4.587 16.979 1.00 51.02 H new ATOM 0 HA ASN A 49 -13.667 -3.980 14.304 1.00 50.24 H new ATOM 0 HB2 ASN A 49 -12.293 -5.450 16.052 1.00 5.24 H new ATOM 0 HB3 ASN A 49 -13.181 -6.775 15.326 1.00 5.24 H new ATOM 0 HD21 ASN A 49 -11.011 -7.026 12.600 1.00 1.01 H new ATOM 0 HD22 ASN A 49 -12.159 -7.777 13.713 1.00 1.01 H new ATOM 652 N LYS A 50 -15.999 -6.206 14.844 1.00 24.31 N ATOM 653 CA LYS A 50 -17.089 -6.948 14.223 1.00 51.50 C ATOM 654 C LYS A 50 -18.425 -6.250 14.459 1.00 42.24 C ATOM 655 O LYS A 50 -19.402 -6.504 13.755 1.00 53.22 O ATOM 656 CB LYS A 50 -17.143 -8.374 14.774 1.00 42.33 C ATOM 657 CG LYS A 50 -17.855 -8.483 16.111 1.00 41.23 C ATOM 658 CD LYS A 50 -19.205 -9.168 15.970 1.00 63.12 C ATOM 659 CE LYS A 50 -19.620 -9.852 17.263 1.00 72.32 C ATOM 660 NZ LYS A 50 -18.892 -11.135 17.471 1.00 3.01 N ATOM 0 H LYS A 50 -16.005 -6.222 15.864 1.00 24.31 H new ATOM 0 HA LYS A 50 -16.903 -6.987 13.150 1.00 51.50 H new ATOM 0 HB2 LYS A 50 -17.646 -9.015 14.050 1.00 42.33 H new ATOM 0 HB3 LYS A 50 -16.126 -8.752 14.882 1.00 42.33 H new ATOM 0 HG2 LYS A 50 -17.234 -9.042 16.811 1.00 41.23 H new ATOM 0 HG3 LYS A 50 -17.993 -7.487 16.533 1.00 41.23 H new ATOM 0 HD2 LYS A 50 -19.959 -8.434 15.687 1.00 63.12 H new ATOM 0 HD3 LYS A 50 -19.159 -9.903 15.167 1.00 63.12 H new ATOM 0 HE2 LYS A 50 -19.429 -9.185 18.104 1.00 72.32 H new ATOM 0 HE3 LYS A 50 -20.693 -10.042 17.245 1.00 72.32 H new ATOM 0 HZ1 LYS A 50 -19.275 -11.619 18.308 1.00 3.01 H new ATOM 0 HZ2 LYS A 50 -19.012 -11.742 16.635 1.00 3.01 H new ATOM 0 HZ3 LYS A 50 -17.881 -10.941 17.616 1.00 3.01 H new ATOM 670 N GLY A 51 -18.460 -5.368 15.453 1.00 15.31 N ATOM 671 CA GLY A 51 -19.681 -4.647 15.762 1.00 34.43 C ATOM 672 C GLY A 51 -20.302 -4.006 14.538 1.00 45.50 C ATOM 673 O GLY A 51 -21.520 -3.842 14.464 1.00 50.31 O ATOM 0 H GLY A 51 -17.665 -5.140 16.050 1.00 15.31 H new ATOM 0 HA2 GLY A 51 -20.399 -5.332 16.213 1.00 34.43 H new ATOM 0 HA3 GLY A 51 -19.467 -3.876 16.502 1.00 34.43 H new ATOM 676 N VAL A 52 -19.463 -3.640 13.574 1.00 1.54 N ATOM 677 CA VAL A 52 -19.937 -3.012 12.346 1.00 71.12 C ATOM 678 C VAL A 52 -20.779 -3.981 11.523 1.00 14.10 C ATOM 679 O VAL A 52 -21.738 -3.581 10.863 1.00 43.22 O ATOM 680 CB VAL A 52 -18.764 -2.509 11.484 1.00 1.01 C ATOM 681 CG1 VAL A 52 -17.839 -1.624 12.305 1.00 23.23 C ATOM 682 CG2 VAL A 52 -18.001 -3.681 10.886 1.00 52.11 C ATOM 0 H VAL A 52 -18.452 -3.767 13.620 1.00 1.54 H new ATOM 0 HA VAL A 52 -20.552 -2.162 12.642 1.00 71.12 H new ATOM 0 HB VAL A 52 -19.167 -1.912 10.666 1.00 1.01 H new ATOM 0 HG11 VAL A 52 -17.016 -1.278 11.679 1.00 23.23 H new ATOM 0 HG12 VAL A 52 -18.395 -0.765 12.680 1.00 23.23 H new ATOM 0 HG13 VAL A 52 -17.441 -2.194 13.145 1.00 23.23 H new ATOM 0 HG21 VAL A 52 -17.176 -3.307 10.280 1.00 52.11 H new ATOM 0 HG22 VAL A 52 -17.608 -4.306 11.688 1.00 52.11 H new ATOM 0 HG23 VAL A 52 -18.672 -4.271 10.261 1.00 52.11 H new ATOM 692 N PHE A 53 -20.414 -5.258 11.567 1.00 52.40 N ATOM 693 CA PHE A 53 -21.136 -6.286 10.825 1.00 33.21 C ATOM 694 C PHE A 53 -22.264 -6.874 11.668 1.00 31.22 C ATOM 695 O PHE A 53 -23.049 -7.690 11.187 1.00 73.23 O ATOM 696 CB PHE A 53 -20.178 -7.396 10.388 1.00 33.04 C ATOM 697 CG PHE A 53 -19.165 -6.949 9.373 1.00 52.32 C ATOM 698 CD1 PHE A 53 -19.515 -6.816 8.038 1.00 13.04 C ATOM 699 CD2 PHE A 53 -17.864 -6.663 9.752 1.00 14.53 C ATOM 700 CE1 PHE A 53 -18.586 -6.404 7.102 1.00 51.33 C ATOM 701 CE2 PHE A 53 -16.931 -6.251 8.819 1.00 15.23 C ATOM 702 CZ PHE A 53 -17.292 -6.123 7.492 1.00 33.32 C ATOM 0 H PHE A 53 -19.623 -5.606 12.108 1.00 52.40 H new ATOM 0 HA PHE A 53 -21.572 -5.822 9.940 1.00 33.21 H new ATOM 0 HB2 PHE A 53 -19.657 -7.781 11.264 1.00 33.04 H new ATOM 0 HB3 PHE A 53 -20.756 -8.222 9.973 1.00 33.04 H new ATOM 0 HD1 PHE A 53 -20.525 -7.037 7.726 1.00 13.04 H new ATOM 0 HD2 PHE A 53 -17.575 -6.763 10.788 1.00 14.53 H new ATOM 0 HE1 PHE A 53 -18.872 -6.302 6.066 1.00 51.33 H new ATOM 0 HE2 PHE A 53 -15.920 -6.029 9.128 1.00 15.23 H new ATOM 0 HZ PHE A 53 -16.564 -5.804 6.761 1.00 33.32 H new ATOM 711 N GLN A 54 -22.336 -6.452 12.927 1.00 62.35 N ATOM 712 CA GLN A 54 -23.367 -6.939 13.836 1.00 43.11 C ATOM 713 C GLN A 54 -24.759 -6.624 13.299 1.00 14.23 C ATOM 714 O GLN A 54 -25.731 -7.299 13.633 1.00 73.13 O ATOM 715 CB GLN A 54 -23.189 -6.316 15.221 1.00 31.54 C ATOM 716 CG GLN A 54 -23.776 -7.154 16.346 1.00 43.04 C ATOM 717 CD GLN A 54 -24.231 -6.315 17.524 1.00 42.22 C ATOM 718 OE1 GLN A 54 -23.421 -5.899 18.353 1.00 54.33 O ATOM 719 NE2 GLN A 54 -25.532 -6.060 17.602 1.00 0.05 N ATOM 0 H GLN A 54 -21.694 -5.775 13.340 1.00 62.35 H new ATOM 0 HA GLN A 54 -23.265 -8.021 13.916 1.00 43.11 H new ATOM 0 HB2 GLN A 54 -22.126 -6.165 15.408 1.00 31.54 H new ATOM 0 HB3 GLN A 54 -23.657 -5.332 15.230 1.00 31.54 H new ATOM 0 HG2 GLN A 54 -24.622 -7.726 15.964 1.00 43.04 H new ATOM 0 HG3 GLN A 54 -23.031 -7.874 16.684 1.00 43.04 H new ATOM 0 HE21 GLN A 54 -26.167 -6.425 16.892 1.00 0.05 H new ATOM 0 HE22 GLN A 54 -25.896 -5.499 18.372 1.00 0.05 H new ATOM 726 N GLY A 55 -24.847 -5.592 12.465 1.00 11.14 N ATOM 727 CA GLY A 55 -26.124 -5.205 11.896 1.00 41.43 C ATOM 728 C GLY A 55 -26.402 -5.892 10.574 1.00 42.31 C ATOM 729 O GLY A 55 -27.488 -6.434 10.362 1.00 21.43 O ATOM 0 H GLY A 55 -24.056 -5.017 12.174 1.00 11.14 H new ATOM 0 HA2 GLY A 55 -26.920 -5.445 12.601 1.00 41.43 H new ATOM 0 HA3 GLY A 55 -26.141 -4.125 11.751 1.00 41.43 H new ATOM 732 N VAL A 56 -25.419 -5.868 9.678 1.00 11.43 N ATOM 733 CA VAL A 56 -25.563 -6.492 8.368 1.00 35.31 C ATOM 734 C VAL A 56 -25.684 -8.007 8.492 1.00 13.34 C ATOM 735 O VAL A 56 -26.418 -8.646 7.737 1.00 21.44 O ATOM 736 CB VAL A 56 -24.370 -6.157 7.454 1.00 43.12 C ATOM 737 CG1 VAL A 56 -24.289 -4.658 7.211 1.00 21.55 C ATOM 738 CG2 VAL A 56 -23.075 -6.680 8.055 1.00 24.50 C ATOM 0 H VAL A 56 -24.515 -5.423 9.836 1.00 11.43 H new ATOM 0 HA VAL A 56 -26.475 -6.092 7.925 1.00 35.31 H new ATOM 0 HB VAL A 56 -24.521 -6.649 6.493 1.00 43.12 H new ATOM 0 HG11 VAL A 56 -23.440 -4.440 6.563 1.00 21.55 H new ATOM 0 HG12 VAL A 56 -25.207 -4.317 6.733 1.00 21.55 H new ATOM 0 HG13 VAL A 56 -24.161 -4.142 8.162 1.00 21.55 H new ATOM 0 HG21 VAL A 56 -22.243 -6.434 7.396 1.00 24.50 H new ATOM 0 HG22 VAL A 56 -22.914 -6.219 9.030 1.00 24.50 H new ATOM 0 HG23 VAL A 56 -23.139 -7.762 8.171 1.00 24.50 H new ATOM 748 N HIS A 57 -24.960 -8.578 9.451 1.00 23.04 N ATOM 749 CA HIS A 57 -24.987 -10.018 9.675 1.00 41.24 C ATOM 750 C HIS A 57 -26.422 -10.524 9.786 1.00 35.53 C ATOM 751 O HIS A 57 -26.818 -11.457 9.089 1.00 20.30 O ATOM 752 CB HIS A 57 -24.209 -10.373 10.941 1.00 75.40 C ATOM 753 CG HIS A 57 -24.136 -11.846 11.207 1.00 25.13 C ATOM 754 ND1 HIS A 57 -25.208 -12.582 11.666 1.00 23.04 N ATOM 755 CD2 HIS A 57 -23.111 -12.719 11.073 1.00 72.03 C ATOM 756 CE1 HIS A 57 -24.844 -13.844 11.805 1.00 51.42 C ATOM 757 NE2 HIS A 57 -23.577 -13.955 11.451 1.00 4.44 N ATOM 0 H HIS A 57 -24.348 -8.064 10.085 1.00 23.04 H new ATOM 0 HA HIS A 57 -24.515 -10.503 8.820 1.00 41.24 H new ATOM 0 HB2 HIS A 57 -23.197 -9.977 10.859 1.00 75.40 H new ATOM 0 HB3 HIS A 57 -24.676 -9.881 11.794 1.00 75.40 H new ATOM 0 HD1 HIS A 57 -26.136 -12.210 11.867 1.00 23.04 H new ATOM 0 HD2 HIS A 57 -22.113 -12.487 10.732 1.00 72.03 H new ATOM 0 HE1 HIS A 57 -25.476 -14.649 12.150 1.00 51.42 H new ATOM 764 N ASP A 58 -27.197 -9.901 10.669 1.00 62.42 N ATOM 765 CA ASP A 58 -28.588 -10.288 10.871 1.00 33.34 C ATOM 766 C ASP A 58 -29.440 -9.900 9.668 1.00 53.02 C ATOM 767 O ASP A 58 -30.556 -10.393 9.500 1.00 10.12 O ATOM 768 CB ASP A 58 -29.142 -9.632 12.138 1.00 63.42 C ATOM 769 CG ASP A 58 -30.476 -10.217 12.556 1.00 70.12 C ATOM 770 OD1 ASP A 58 -31.516 -9.743 12.050 1.00 74.31 O ATOM 771 OD2 ASP A 58 -30.482 -11.148 13.389 1.00 3.41 O ATOM 0 H ASP A 58 -26.885 -9.127 11.255 1.00 62.42 H new ATOM 0 HA ASP A 58 -28.626 -11.371 10.985 1.00 33.34 H new ATOM 0 HB2 ASP A 58 -28.425 -9.753 12.950 1.00 63.42 H new ATOM 0 HB3 ASP A 58 -29.255 -8.561 11.970 1.00 63.42 H new ATOM 775 N SER A 59 -28.909 -9.012 8.833 1.00 14.03 N ATOM 776 CA SER A 59 -29.623 -8.553 7.648 1.00 72.25 C ATOM 777 C SER A 59 -29.420 -9.519 6.484 1.00 31.22 C ATOM 778 O SER A 59 -30.265 -9.624 5.596 1.00 73.32 O ATOM 779 CB SER A 59 -29.152 -7.154 7.252 1.00 2.45 C ATOM 780 OG SER A 59 -29.622 -6.803 5.962 1.00 1.31 O ATOM 0 H SER A 59 -27.986 -8.596 8.956 1.00 14.03 H new ATOM 0 HA SER A 59 -30.686 -8.516 7.886 1.00 72.25 H new ATOM 0 HB2 SER A 59 -29.508 -6.427 7.982 1.00 2.45 H new ATOM 0 HB3 SER A 59 -28.063 -7.115 7.268 1.00 2.45 H new ATOM 0 HG SER A 59 -29.308 -5.903 5.733 1.00 1.31 H new ATOM 785 N ALA A 60 -28.291 -10.222 6.497 1.00 13.52 N ATOM 786 CA ALA A 60 -27.976 -11.180 5.445 1.00 42.23 C ATOM 787 C ALA A 60 -28.508 -12.568 5.789 1.00 5.03 C ATOM 788 O ALA A 60 -28.185 -13.548 5.119 1.00 14.13 O ATOM 789 CB ALA A 60 -26.474 -11.231 5.210 1.00 43.31 C ATOM 0 H ALA A 60 -27.580 -10.145 7.225 1.00 13.52 H new ATOM 0 HA ALA A 60 -28.465 -10.850 4.528 1.00 42.23 H new ATOM 0 HB1 ALA A 60 -26.253 -11.951 4.422 1.00 43.31 H new ATOM 0 HB2 ALA A 60 -26.119 -10.245 4.911 1.00 43.31 H new ATOM 0 HB3 ALA A 60 -25.972 -11.534 6.129 1.00 43.31 H new ATOM 795 N GLU A 61 -29.324 -12.641 6.835 1.00 5.13 N ATOM 796 CA GLU A 61 -29.898 -13.910 7.267 1.00 14.14 C ATOM 797 C GLU A 61 -30.572 -14.627 6.102 1.00 51.23 C ATOM 798 O GLU A 61 -30.631 -15.856 6.064 1.00 75.13 O ATOM 799 CB GLU A 61 -30.910 -13.680 8.392 1.00 32.23 C ATOM 800 CG GLU A 61 -31.241 -14.937 9.179 1.00 13.15 C ATOM 801 CD GLU A 61 -32.444 -14.759 10.084 1.00 42.55 C ATOM 802 OE1 GLU A 61 -33.335 -13.956 9.737 1.00 45.50 O ATOM 803 OE2 GLU A 61 -32.496 -15.423 11.140 1.00 70.04 O ATOM 0 H GLU A 61 -29.602 -11.838 7.399 1.00 5.13 H new ATOM 0 HA GLU A 61 -29.088 -14.538 7.638 1.00 14.14 H new ATOM 0 HB2 GLU A 61 -30.517 -12.927 9.075 1.00 32.23 H new ATOM 0 HB3 GLU A 61 -31.828 -13.276 7.966 1.00 32.23 H new ATOM 0 HG2 GLU A 61 -31.431 -15.756 8.485 1.00 13.15 H new ATOM 0 HG3 GLU A 61 -30.378 -15.222 9.780 1.00 13.15 H new ATOM 808 N LYS A 62 -31.081 -13.850 5.151 1.00 72.34 N ATOM 809 CA LYS A 62 -31.751 -14.409 3.983 1.00 21.33 C ATOM 810 C LYS A 62 -30.741 -14.779 2.902 1.00 71.02 C ATOM 811 O LYS A 62 -30.937 -15.738 2.156 1.00 14.22 O ATOM 812 CB LYS A 62 -32.767 -13.410 3.426 1.00 2.30 C ATOM 813 CG LYS A 62 -33.601 -13.963 2.282 1.00 24.40 C ATOM 814 CD LYS A 62 -34.198 -12.849 1.438 1.00 21.42 C ATOM 815 CE LYS A 62 -35.555 -12.415 1.968 1.00 74.25 C ATOM 816 NZ LYS A 62 -36.352 -11.700 0.932 1.00 72.43 N ATOM 0 H LYS A 62 -31.042 -12.831 5.167 1.00 72.34 H new ATOM 0 HA LYS A 62 -32.273 -15.314 4.293 1.00 21.33 H new ATOM 0 HB2 LYS A 62 -33.432 -13.095 4.230 1.00 2.30 H new ATOM 0 HB3 LYS A 62 -32.239 -12.521 3.082 1.00 2.30 H new ATOM 0 HG2 LYS A 62 -32.981 -14.603 1.655 1.00 24.40 H new ATOM 0 HG3 LYS A 62 -34.401 -14.586 2.682 1.00 24.40 H new ATOM 0 HD2 LYS A 62 -33.520 -11.995 1.428 1.00 21.42 H new ATOM 0 HD3 LYS A 62 -34.300 -13.187 0.407 1.00 21.42 H new ATOM 0 HE2 LYS A 62 -36.107 -13.290 2.312 1.00 74.25 H new ATOM 0 HE3 LYS A 62 -35.417 -11.765 2.832 1.00 74.25 H new ATOM 0 HZ1 LYS A 62 -37.270 -11.420 1.332 1.00 72.43 H new ATOM 0 HZ2 LYS A 62 -35.837 -10.852 0.622 1.00 72.43 H new ATOM 0 HZ3 LYS A 62 -36.506 -12.328 0.118 1.00 72.43 H new ATOM 826 N GLY A 63 -29.658 -14.012 2.823 1.00 64.34 N ATOM 827 CA GLY A 63 -28.632 -14.277 1.830 1.00 43.02 C ATOM 828 C GLY A 63 -27.472 -15.075 2.393 1.00 12.31 C ATOM 829 O GLY A 63 -26.387 -15.101 1.813 1.00 43.21 O ATOM 0 H GLY A 63 -29.472 -13.212 3.428 1.00 64.34 H new ATOM 0 HA2 GLY A 63 -29.072 -14.821 0.994 1.00 43.02 H new ATOM 0 HA3 GLY A 63 -28.261 -13.332 1.435 1.00 43.02 H new ATOM 832 N LYS A 64 -27.701 -15.727 3.528 1.00 32.00 N ATOM 833 CA LYS A 64 -26.668 -16.529 4.171 1.00 60.35 C ATOM 834 C LYS A 64 -26.806 -18.001 3.792 1.00 40.32 C ATOM 835 O LYS A 64 -26.429 -18.887 4.558 1.00 34.12 O ATOM 836 CB LYS A 64 -26.745 -16.374 5.692 1.00 73.34 C ATOM 837 CG LYS A 64 -25.444 -16.706 6.404 1.00 11.43 C ATOM 838 CD LYS A 64 -24.400 -15.623 6.188 1.00 23.42 C ATOM 839 CE LYS A 64 -24.587 -14.467 7.157 1.00 1.35 C ATOM 840 NZ LYS A 64 -23.803 -13.268 6.749 1.00 31.41 N ATOM 0 H LYS A 64 -28.594 -15.715 4.021 1.00 32.00 H new ATOM 0 HA LYS A 64 -25.698 -16.172 3.824 1.00 60.35 H new ATOM 0 HB2 LYS A 64 -27.029 -15.349 5.930 1.00 73.34 H new ATOM 0 HB3 LYS A 64 -27.534 -17.021 6.075 1.00 73.34 H new ATOM 0 HG2 LYS A 64 -25.632 -16.824 7.471 1.00 11.43 H new ATOM 0 HG3 LYS A 64 -25.062 -17.660 6.040 1.00 11.43 H new ATOM 0 HD2 LYS A 64 -23.404 -16.047 6.314 1.00 23.42 H new ATOM 0 HD3 LYS A 64 -24.463 -15.255 5.164 1.00 23.42 H new ATOM 0 HE2 LYS A 64 -25.644 -14.208 7.213 1.00 1.35 H new ATOM 0 HE3 LYS A 64 -24.282 -14.778 8.156 1.00 1.35 H new ATOM 0 HZ1 LYS A 64 -23.958 -12.502 7.435 1.00 31.41 H new ATOM 0 HZ2 LYS A 64 -22.791 -13.508 6.720 1.00 31.41 H new ATOM 0 HZ3 LYS A 64 -24.112 -12.956 5.806 1.00 31.41 H new ATOM 850 N ASP A 65 -27.349 -18.252 2.606 1.00 65.23 N ATOM 851 CA ASP A 65 -27.534 -19.616 2.124 1.00 50.11 C ATOM 852 C ASP A 65 -26.585 -19.919 0.969 1.00 25.22 C ATOM 853 O ASP A 65 -26.746 -20.914 0.265 1.00 44.14 O ATOM 854 CB ASP A 65 -28.982 -19.831 1.680 1.00 2.04 C ATOM 855 CG ASP A 65 -29.979 -19.213 2.640 1.00 3.03 C ATOM 856 OD1 ASP A 65 -29.893 -19.502 3.852 1.00 63.21 O ATOM 857 OD2 ASP A 65 -30.847 -18.441 2.181 1.00 45.03 O ATOM 0 H ASP A 65 -27.669 -17.529 1.961 1.00 65.23 H new ATOM 0 HA ASP A 65 -27.308 -20.298 2.944 1.00 50.11 H new ATOM 0 HB2 ASP A 65 -29.123 -19.401 0.688 1.00 2.04 H new ATOM 0 HB3 ASP A 65 -29.178 -20.900 1.595 1.00 2.04 H new ATOM 861 N ASN A 66 -25.596 -19.052 0.780 1.00 24.53 N ATOM 862 CA ASN A 66 -24.621 -19.226 -0.291 1.00 25.35 C ATOM 863 C ASN A 66 -24.098 -20.658 -0.324 1.00 14.01 C ATOM 864 O ASN A 66 -23.680 -21.153 -1.370 1.00 63.14 O ATOM 865 CB ASN A 66 -23.456 -18.250 -0.112 1.00 35.15 C ATOM 866 CG ASN A 66 -23.314 -17.777 1.322 1.00 1.15 C ATOM 867 OD1 ASN A 66 -23.180 -18.721 2.246 1.00 12.31 O flip ATOM 868 ND2 ASN A 66 -23.324 -16.576 1.595 1.00 20.35 N flip ATOM 0 H ASN A 66 -25.448 -18.222 1.354 1.00 24.53 H new ATOM 0 HA ASN A 66 -25.119 -19.018 -1.238 1.00 25.35 H new ATOM 0 HB2 ASN A 66 -22.530 -18.732 -0.426 1.00 35.15 H new ATOM 0 HB3 ASN A 66 -23.604 -17.388 -0.763 1.00 35.15 H new ATOM 0 HD21 ASN A 66 -23.429 -15.885 0.852 1.00 20.35 H new ATOM 0 HD22 ASN A 66 -23.227 -16.272 2.564 1.00 20.35 H new ATOM 874 N ALA A 67 -24.126 -21.319 0.829 1.00 61.41 N ATOM 875 CA ALA A 67 -23.658 -22.696 0.932 1.00 64.50 C ATOM 876 C ALA A 67 -24.320 -23.580 -0.119 1.00 73.22 C ATOM 877 O ALA A 67 -23.673 -24.026 -1.066 1.00 32.40 O ATOM 878 CB ALA A 67 -23.923 -23.241 2.327 1.00 3.33 C ATOM 0 H ALA A 67 -24.468 -20.923 1.705 1.00 61.41 H new ATOM 0 HA ALA A 67 -22.583 -22.703 0.750 1.00 64.50 H new ATOM 0 HB1 ALA A 67 -23.568 -24.270 2.389 1.00 3.33 H new ATOM 0 HB2 ALA A 67 -23.397 -22.631 3.062 1.00 3.33 H new ATOM 0 HB3 ALA A 67 -24.993 -23.213 2.531 1.00 3.33 H new ATOM 947 N LEU A 74 -19.068 -21.906 -11.732 1.00 4.53 N ATOM 948 CA LEU A 74 -17.808 -21.625 -12.413 1.00 13.50 C ATOM 949 C LEU A 74 -16.641 -22.298 -11.697 1.00 22.11 C ATOM 950 O LEU A 74 -15.513 -22.293 -12.188 1.00 62.44 O ATOM 951 CB LEU A 74 -17.573 -20.116 -12.488 1.00 25.23 C ATOM 952 CG LEU A 74 -18.702 -19.290 -13.106 1.00 12.52 C ATOM 953 CD1 LEU A 74 -19.292 -20.009 -14.309 1.00 1.13 C ATOM 954 CD2 LEU A 74 -19.781 -19.005 -12.071 1.00 22.52 C ATOM 0 HA LEU A 74 -17.871 -22.028 -13.424 1.00 13.50 H new ATOM 0 HB2 LEU A 74 -17.390 -19.747 -11.479 1.00 25.23 H new ATOM 0 HB3 LEU A 74 -16.664 -19.938 -13.062 1.00 25.23 H new ATOM 0 HG LEU A 74 -18.289 -18.339 -13.443 1.00 12.52 H new ATOM 0 HD11 LEU A 74 -20.094 -19.406 -14.736 1.00 1.13 H new ATOM 0 HD12 LEU A 74 -18.515 -20.162 -15.058 1.00 1.13 H new ATOM 0 HD13 LEU A 74 -19.690 -20.974 -13.997 1.00 1.13 H new ATOM 0 HD21 LEU A 74 -20.577 -18.416 -12.528 1.00 22.52 H new ATOM 0 HD22 LEU A 74 -20.191 -19.946 -11.704 1.00 22.52 H new ATOM 0 HD23 LEU A 74 -19.349 -18.448 -11.239 1.00 22.52 H new ATOM 965 N ALA A 75 -16.922 -22.878 -10.535 1.00 62.45 N ATOM 966 CA ALA A 75 -15.896 -23.560 -9.754 1.00 4.30 C ATOM 967 C ALA A 75 -15.675 -24.981 -10.260 1.00 15.00 C ATOM 968 O ALA A 75 -14.565 -25.509 -10.194 1.00 23.22 O ATOM 969 CB ALA A 75 -16.277 -23.574 -8.281 1.00 70.04 C ATOM 0 H ALA A 75 -17.851 -22.890 -10.113 1.00 62.45 H new ATOM 0 HA ALA A 75 -14.961 -23.012 -9.871 1.00 4.30 H new ATOM 0 HB1 ALA A 75 -15.503 -24.086 -7.710 1.00 70.04 H new ATOM 0 HB2 ALA A 75 -16.376 -22.550 -7.921 1.00 70.04 H new ATOM 0 HB3 ALA A 75 -17.226 -24.096 -8.155 1.00 70.04 H new ATOM 975 N ASP A 76 -16.740 -25.598 -10.762 1.00 1.04 N ATOM 976 CA ASP A 76 -16.662 -26.959 -11.279 1.00 4.51 C ATOM 977 C ASP A 76 -15.642 -27.053 -12.409 1.00 63.13 C ATOM 978 O ASP A 76 -14.872 -28.010 -12.484 1.00 53.34 O ATOM 979 CB ASP A 76 -18.035 -27.418 -11.774 1.00 33.12 C ATOM 980 CG ASP A 76 -17.936 -28.483 -12.849 1.00 30.03 C ATOM 981 OD1 ASP A 76 -17.685 -29.656 -12.500 1.00 42.32 O ATOM 982 OD2 ASP A 76 -18.109 -28.144 -14.038 1.00 35.03 O ATOM 0 H ASP A 76 -17.667 -25.177 -10.822 1.00 1.04 H new ATOM 0 HA ASP A 76 -16.340 -27.612 -10.468 1.00 4.51 H new ATOM 0 HB2 ASP A 76 -18.610 -27.807 -10.933 1.00 33.12 H new ATOM 0 HB3 ASP A 76 -18.582 -26.560 -12.165 1.00 33.12 H new ATOM 986 N GLN A 77 -15.644 -26.056 -13.287 1.00 5.14 N ATOM 987 CA GLN A 77 -14.720 -26.028 -14.414 1.00 2.31 C ATOM 988 C GLN A 77 -13.353 -25.505 -13.985 1.00 23.31 C ATOM 989 O GLN A 77 -12.320 -26.028 -14.399 1.00 72.40 O ATOM 990 CB GLN A 77 -15.282 -25.157 -15.540 1.00 72.53 C ATOM 991 CG GLN A 77 -16.794 -25.230 -15.668 1.00 0.24 C ATOM 992 CD GLN A 77 -17.260 -25.217 -17.110 1.00 61.43 C ATOM 993 OE1 GLN A 77 -16.649 -25.843 -17.977 1.00 42.34 O ATOM 994 NE2 GLN A 77 -18.346 -24.502 -17.376 1.00 14.31 N ATOM 0 H GLN A 77 -16.276 -25.256 -13.240 1.00 5.14 H new ATOM 0 HA GLN A 77 -14.600 -27.048 -14.778 1.00 2.31 H new ATOM 0 HB2 GLN A 77 -14.990 -24.121 -15.367 1.00 72.53 H new ATOM 0 HB3 GLN A 77 -14.831 -25.462 -16.484 1.00 72.53 H new ATOM 0 HG2 GLN A 77 -17.152 -26.138 -15.183 1.00 0.24 H new ATOM 0 HG3 GLN A 77 -17.240 -24.388 -15.139 1.00 0.24 H new ATOM 0 HE21 GLN A 77 -18.821 -23.999 -16.627 1.00 14.31 H new ATOM 0 HE22 GLN A 77 -18.705 -24.456 -18.329 1.00 14.31 H new ATOM 1001 N ALA A 78 -13.356 -24.469 -13.153 1.00 34.32 N ATOM 1002 CA ALA A 78 -12.116 -23.876 -12.666 1.00 51.10 C ATOM 1003 C ALA A 78 -11.096 -24.952 -12.311 1.00 2.03 C ATOM 1004 O ALA A 78 -9.893 -24.764 -12.495 1.00 51.41 O ATOM 1005 CB ALA A 78 -12.393 -22.990 -11.461 1.00 30.24 C ATOM 0 H ALA A 78 -14.203 -24.023 -12.802 1.00 34.32 H new ATOM 0 HA ALA A 78 -11.696 -23.264 -13.464 1.00 51.10 H new ATOM 0 HB1 ALA A 78 -11.459 -22.554 -11.108 1.00 30.24 H new ATOM 0 HB2 ALA A 78 -13.081 -22.194 -11.745 1.00 30.24 H new ATOM 0 HB3 ALA A 78 -12.838 -23.587 -10.665 1.00 30.24 H new ATOM 1011 N ARG A 79 -11.583 -26.078 -11.802 1.00 13.05 N ATOM 1012 CA ARG A 79 -10.712 -27.183 -11.419 1.00 54.20 C ATOM 1013 C ARG A 79 -10.180 -27.908 -12.652 1.00 51.12 C ATOM 1014 O ARG A 79 -8.970 -28.010 -12.849 1.00 60.13 O ATOM 1015 CB ARG A 79 -11.466 -28.167 -10.522 1.00 34.34 C ATOM 1016 CG ARG A 79 -12.050 -27.527 -9.272 1.00 62.11 C ATOM 1017 CD ARG A 79 -12.828 -28.536 -8.441 1.00 65.23 C ATOM 1018 NE ARG A 79 -11.950 -29.336 -7.591 1.00 52.53 N ATOM 1019 CZ ARG A 79 -12.385 -30.078 -6.578 1.00 3.31 C ATOM 1020 NH1 ARG A 79 -13.679 -30.122 -6.292 1.00 11.02 N ATOM 1021 NH2 ARG A 79 -11.525 -30.778 -5.850 1.00 51.45 N ATOM 0 H ARG A 79 -12.576 -26.250 -11.645 1.00 13.05 H new ATOM 0 HA ARG A 79 -9.867 -26.772 -10.867 1.00 54.20 H new ATOM 0 HB2 ARG A 79 -12.272 -28.625 -11.096 1.00 34.34 H new ATOM 0 HB3 ARG A 79 -10.789 -28.969 -10.227 1.00 34.34 H new ATOM 0 HG2 ARG A 79 -11.247 -27.101 -8.671 1.00 62.11 H new ATOM 0 HG3 ARG A 79 -12.706 -26.704 -9.556 1.00 62.11 H new ATOM 0 HD2 ARG A 79 -13.555 -28.012 -7.820 1.00 65.23 H new ATOM 0 HD3 ARG A 79 -13.391 -29.194 -9.103 1.00 65.23 H new ATOM 0 HE ARG A 79 -10.949 -29.325 -7.785 1.00 52.53 H new ATOM 0 HH11 ARG A 79 -14.343 -29.586 -6.850 1.00 11.02 H new ATOM 0 HH12 ARG A 79 -14.010 -30.692 -5.514 1.00 11.02 H new ATOM 0 HH21 ARG A 79 -10.529 -30.747 -6.068 1.00 51.45 H new ATOM 0 HH22 ARG A 79 -11.860 -31.347 -5.073 1.00 51.45 H new ATOM 1032 N ASP A 80 -11.093 -28.409 -13.476 1.00 65.30 N ATOM 1033 CA ASP A 80 -10.716 -29.124 -14.690 1.00 62.10 C ATOM 1034 C ASP A 80 -10.328 -28.148 -15.797 1.00 74.35 C ATOM 1035 O ASP A 80 -9.236 -28.235 -16.360 1.00 70.15 O ATOM 1036 CB ASP A 80 -11.867 -30.016 -15.160 1.00 20.34 C ATOM 1037 CG ASP A 80 -11.385 -31.201 -15.974 1.00 25.14 C ATOM 1038 OD1 ASP A 80 -10.398 -31.845 -15.559 1.00 44.31 O ATOM 1039 OD2 ASP A 80 -11.994 -31.485 -17.026 1.00 51.12 O ATOM 0 H ASP A 80 -12.099 -28.333 -13.326 1.00 65.30 H new ATOM 0 HA ASP A 80 -9.852 -29.748 -14.461 1.00 62.10 H new ATOM 0 HB2 ASP A 80 -12.422 -30.376 -14.293 1.00 20.34 H new ATOM 0 HB3 ASP A 80 -12.560 -29.425 -15.759 1.00 20.34 H new ATOM 1043 N TYR A 81 -11.228 -27.222 -16.104 1.00 40.50 N ATOM 1044 CA TYR A 81 -10.982 -26.232 -17.146 1.00 44.15 C ATOM 1045 C TYR A 81 -9.531 -25.759 -17.116 1.00 14.13 C ATOM 1046 O TYR A 81 -8.759 -26.031 -18.035 1.00 14.23 O ATOM 1047 CB TYR A 81 -11.923 -25.038 -16.978 1.00 74.34 C ATOM 1048 CG TYR A 81 -12.161 -24.270 -18.259 1.00 13.30 C ATOM 1049 CD1 TYR A 81 -12.401 -24.933 -19.455 1.00 70.03 C ATOM 1050 CD2 TYR A 81 -12.146 -22.881 -18.271 1.00 61.32 C ATOM 1051 CE1 TYR A 81 -12.618 -24.236 -20.628 1.00 12.25 C ATOM 1052 CE2 TYR A 81 -12.364 -22.175 -19.439 1.00 21.41 C ATOM 1053 CZ TYR A 81 -12.599 -22.856 -20.615 1.00 75.14 C ATOM 1054 OH TYR A 81 -12.815 -22.157 -21.780 1.00 75.12 O ATOM 0 H TYR A 81 -12.135 -27.136 -15.646 1.00 40.50 H new ATOM 0 HA TYR A 81 -11.172 -26.702 -18.111 1.00 44.15 H new ATOM 0 HB2 TYR A 81 -12.880 -25.391 -16.593 1.00 74.34 H new ATOM 0 HB3 TYR A 81 -11.509 -24.362 -16.230 1.00 74.34 H new ATOM 0 HD1 TYR A 81 -12.418 -26.013 -19.469 1.00 70.03 H new ATOM 0 HD2 TYR A 81 -11.961 -22.344 -17.352 1.00 61.32 H new ATOM 0 HE1 TYR A 81 -12.801 -24.768 -21.550 1.00 12.25 H new ATOM 0 HE2 TYR A 81 -12.350 -21.095 -19.431 1.00 21.41 H new ATOM 0 HH TYR A 81 -12.769 -21.195 -21.598 1.00 75.12 H new ATOM 1063 N MET A 82 -9.170 -25.050 -16.052 1.00 12.32 N ATOM 1064 CA MET A 82 -7.812 -24.540 -15.899 1.00 44.43 C ATOM 1065 C MET A 82 -6.786 -25.613 -16.248 1.00 14.41 C ATOM 1066 O MET A 82 -5.988 -25.447 -17.169 1.00 0.44 O ATOM 1067 CB MET A 82 -7.588 -24.048 -14.468 1.00 23.32 C ATOM 1068 CG MET A 82 -8.552 -22.954 -14.043 1.00 3.44 C ATOM 1069 SD MET A 82 -8.004 -21.311 -14.545 1.00 23.12 S ATOM 1070 CE MET A 82 -9.515 -20.646 -15.241 1.00 74.32 C ATOM 0 H MET A 82 -9.798 -24.815 -15.283 1.00 12.32 H new ATOM 0 HA MET A 82 -7.684 -23.704 -16.587 1.00 44.43 H new ATOM 0 HB2 MET A 82 -7.684 -24.891 -13.784 1.00 23.32 H new ATOM 0 HB3 MET A 82 -6.567 -23.677 -14.376 1.00 23.32 H new ATOM 0 HG2 MET A 82 -9.533 -23.153 -14.474 1.00 3.44 H new ATOM 0 HG3 MET A 82 -8.668 -22.979 -12.960 1.00 3.44 H new ATOM 0 HE1 MET A 82 -9.336 -19.631 -15.596 1.00 74.32 H new ATOM 0 HE2 MET A 82 -9.838 -21.271 -16.074 1.00 74.32 H new ATOM 0 HE3 MET A 82 -10.292 -20.631 -14.477 1.00 74.32 H new ATOM 1078 N GLY A 83 -6.812 -26.715 -15.505 1.00 13.23 N ATOM 1079 CA GLY A 83 -5.879 -27.799 -15.751 1.00 31.13 C ATOM 1080 C GLY A 83 -5.830 -28.201 -17.212 1.00 22.23 C ATOM 1081 O GLY A 83 -4.787 -28.093 -17.856 1.00 42.11 O ATOM 0 H GLY A 83 -7.463 -26.877 -14.737 1.00 13.23 H new ATOM 0 HA2 GLY A 83 -4.883 -27.498 -15.427 1.00 31.13 H new ATOM 0 HA3 GLY A 83 -6.163 -28.662 -15.149 1.00 31.13 H new ATOM 1084 N ALA A 84 -6.959 -28.666 -17.734 1.00 32.00 N ATOM 1085 CA ALA A 84 -7.041 -29.085 -19.128 1.00 31.22 C ATOM 1086 C ALA A 84 -6.497 -28.006 -20.058 1.00 21.52 C ATOM 1087 O ALA A 84 -5.928 -28.307 -21.108 1.00 1.54 O ATOM 1088 CB ALA A 84 -8.477 -29.425 -19.495 1.00 14.22 C ATOM 0 H ALA A 84 -7.830 -28.762 -17.213 1.00 32.00 H new ATOM 0 HA ALA A 84 -6.427 -29.977 -19.249 1.00 31.22 H new ATOM 0 HB1 ALA A 84 -8.522 -29.736 -20.539 1.00 14.22 H new ATOM 0 HB2 ALA A 84 -8.833 -30.236 -18.859 1.00 14.22 H new ATOM 0 HB3 ALA A 84 -9.107 -28.547 -19.351 1.00 14.22 H new ATOM 1094 N ALA A 85 -6.675 -26.748 -19.667 1.00 33.11 N ATOM 1095 CA ALA A 85 -6.202 -25.625 -20.464 1.00 65.32 C ATOM 1096 C ALA A 85 -4.677 -25.580 -20.499 1.00 52.21 C ATOM 1097 O ALA A 85 -4.058 -25.926 -21.505 1.00 41.33 O ATOM 1098 CB ALA A 85 -6.757 -24.318 -19.919 1.00 43.52 C ATOM 0 H ALA A 85 -7.144 -26.482 -18.801 1.00 33.11 H new ATOM 0 HA ALA A 85 -6.560 -25.761 -21.485 1.00 65.32 H new ATOM 0 HB1 ALA A 85 -6.394 -23.488 -20.525 1.00 43.52 H new ATOM 0 HB2 ALA A 85 -7.846 -24.343 -19.952 1.00 43.52 H new ATOM 0 HB3 ALA A 85 -6.429 -24.185 -18.888 1.00 43.52 H new ATOM 1104 N LYS A 86 -4.077 -25.152 -19.393 1.00 42.51 N ATOM 1105 CA LYS A 86 -2.626 -25.061 -19.296 1.00 14.31 C ATOM 1106 C LYS A 86 -1.974 -26.400 -19.626 1.00 13.31 C ATOM 1107 O LYS A 86 -0.866 -26.448 -20.161 1.00 11.55 O ATOM 1108 CB LYS A 86 -2.215 -24.615 -17.891 1.00 13.23 C ATOM 1109 CG LYS A 86 -0.736 -24.297 -17.761 1.00 62.45 C ATOM 1110 CD LYS A 86 0.000 -25.374 -16.982 1.00 54.52 C ATOM 1111 CE LYS A 86 1.259 -24.827 -16.327 1.00 1.05 C ATOM 1112 NZ LYS A 86 1.843 -25.791 -15.354 1.00 2.40 N ATOM 0 H LYS A 86 -4.574 -24.863 -18.551 1.00 42.51 H new ATOM 0 HA LYS A 86 -2.284 -24.321 -20.020 1.00 14.31 H new ATOM 0 HB2 LYS A 86 -2.793 -23.733 -17.616 1.00 13.23 H new ATOM 0 HB3 LYS A 86 -2.473 -25.400 -17.180 1.00 13.23 H new ATOM 0 HG2 LYS A 86 -0.295 -24.199 -18.753 1.00 62.45 H new ATOM 0 HG3 LYS A 86 -0.612 -23.336 -17.261 1.00 62.45 H new ATOM 0 HD2 LYS A 86 -0.659 -25.786 -16.218 1.00 54.52 H new ATOM 0 HD3 LYS A 86 0.263 -26.193 -17.651 1.00 54.52 H new ATOM 0 HE2 LYS A 86 1.997 -24.595 -17.095 1.00 1.05 H new ATOM 0 HE3 LYS A 86 1.026 -23.892 -15.817 1.00 1.05 H new ATOM 0 HZ1 LYS A 86 2.699 -25.380 -14.930 1.00 2.40 H new ATOM 0 HZ2 LYS A 86 1.149 -25.993 -14.606 1.00 2.40 H new ATOM 0 HZ3 LYS A 86 2.089 -26.674 -15.845 1.00 2.40 H new ATOM 1122 N SER A 87 -2.670 -27.487 -19.304 1.00 44.03 N ATOM 1123 CA SER A 87 -2.157 -28.827 -19.566 1.00 14.25 C ATOM 1124 C SER A 87 -2.246 -29.163 -21.051 1.00 71.42 C ATOM 1125 O SER A 87 -1.262 -29.572 -21.667 1.00 61.54 O ATOM 1126 CB SER A 87 -2.935 -29.861 -18.749 1.00 43.40 C ATOM 1127 OG SER A 87 -2.291 -31.123 -18.780 1.00 52.03 O ATOM 0 H SER A 87 -3.589 -27.466 -18.862 1.00 44.03 H new ATOM 0 HA SER A 87 -1.109 -28.853 -19.269 1.00 14.25 H new ATOM 0 HB2 SER A 87 -3.026 -29.521 -17.718 1.00 43.40 H new ATOM 0 HB3 SER A 87 -3.947 -29.955 -19.144 1.00 43.40 H new ATOM 0 HG SER A 87 -2.806 -31.766 -18.250 1.00 52.03 H new ATOM 1132 N LYS A 88 -3.433 -28.987 -21.621 1.00 74.34 N ATOM 1133 CA LYS A 88 -3.653 -29.270 -23.034 1.00 41.44 C ATOM 1134 C LYS A 88 -3.128 -28.133 -23.905 1.00 54.00 C ATOM 1135 O LYS A 88 -2.950 -28.294 -25.113 1.00 5.42 O ATOM 1136 CB LYS A 88 -5.143 -29.489 -23.306 1.00 13.42 C ATOM 1137 CG LYS A 88 -5.421 -30.294 -24.564 1.00 73.20 C ATOM 1138 CD LYS A 88 -6.809 -30.009 -25.113 1.00 41.32 C ATOM 1139 CE LYS A 88 -7.894 -30.482 -24.159 1.00 74.44 C ATOM 1140 NZ LYS A 88 -7.917 -31.966 -24.036 1.00 53.31 N ATOM 0 H LYS A 88 -4.258 -28.649 -21.125 1.00 74.34 H new ATOM 0 HA LYS A 88 -3.107 -30.179 -23.286 1.00 41.44 H new ATOM 0 HB2 LYS A 88 -5.588 -30.000 -22.452 1.00 13.42 H new ATOM 0 HB3 LYS A 88 -5.635 -28.520 -23.389 1.00 13.42 H new ATOM 0 HG2 LYS A 88 -4.674 -30.057 -25.321 1.00 73.20 H new ATOM 0 HG3 LYS A 88 -5.327 -31.358 -24.345 1.00 73.20 H new ATOM 0 HD2 LYS A 88 -6.919 -28.939 -25.289 1.00 41.32 H new ATOM 0 HD3 LYS A 88 -6.929 -30.504 -26.076 1.00 41.32 H new ATOM 0 HE2 LYS A 88 -7.732 -30.039 -23.176 1.00 74.44 H new ATOM 0 HE3 LYS A 88 -8.864 -30.132 -24.511 1.00 74.44 H new ATOM 0 HZ1 LYS A 88 -8.778 -32.259 -23.531 1.00 53.31 H new ATOM 0 HZ2 LYS A 88 -7.910 -32.393 -24.984 1.00 53.31 H new ATOM 0 HZ3 LYS A 88 -7.080 -32.283 -23.507 1.00 53.31 H new ATOM 1150 N LEU A 89 -2.881 -26.985 -23.284 1.00 41.41 N ATOM 1151 CA LEU A 89 -2.374 -25.820 -24.003 1.00 75.22 C ATOM 1152 C LEU A 89 -0.856 -25.730 -23.890 1.00 63.30 C ATOM 1153 O LEU A 89 -0.196 -25.130 -24.738 1.00 14.44 O ATOM 1154 CB LEU A 89 -3.014 -24.542 -23.458 1.00 53.43 C ATOM 1155 CG LEU A 89 -2.612 -23.241 -24.153 1.00 72.13 C ATOM 1156 CD1 LEU A 89 -2.565 -23.434 -25.661 1.00 2.12 C ATOM 1157 CD2 LEU A 89 -3.574 -22.121 -23.786 1.00 50.24 C ATOM 0 H LEU A 89 -3.023 -26.835 -22.285 1.00 41.41 H new ATOM 0 HA LEU A 89 -2.636 -25.930 -25.055 1.00 75.22 H new ATOM 0 HB2 LEU A 89 -4.097 -24.646 -23.523 1.00 53.43 H new ATOM 0 HB3 LEU A 89 -2.765 -24.457 -22.400 1.00 53.43 H new ATOM 0 HG LEU A 89 -1.615 -22.962 -23.812 1.00 72.13 H new ATOM 0 HD11 LEU A 89 -2.277 -22.498 -26.139 1.00 2.12 H new ATOM 0 HD12 LEU A 89 -1.836 -24.206 -25.906 1.00 2.12 H new ATOM 0 HD13 LEU A 89 -3.549 -23.737 -26.020 1.00 2.12 H new ATOM 0 HD21 LEU A 89 -3.272 -21.203 -24.290 1.00 50.24 H new ATOM 0 HD22 LEU A 89 -4.583 -22.391 -24.098 1.00 50.24 H new ATOM 0 HD23 LEU A 89 -3.557 -21.966 -22.707 1.00 50.24 H new ATOM 1168 N ASN A 90 -0.308 -26.333 -22.840 1.00 2.43 N ATOM 1169 CA ASN A 90 1.134 -26.322 -22.618 1.00 44.31 C ATOM 1170 C ASN A 90 1.738 -27.694 -22.900 1.00 53.35 C ATOM 1171 O ASN A 90 2.896 -27.803 -23.303 1.00 42.30 O ATOM 1172 CB ASN A 90 1.447 -25.899 -21.182 1.00 13.44 C ATOM 1173 CG ASN A 90 2.836 -25.309 -21.042 1.00 44.23 C ATOM 1174 OD1 ASN A 90 3.837 -25.983 -21.289 1.00 13.44 O ATOM 1175 ND2 ASN A 90 2.904 -24.043 -20.644 1.00 62.33 N ATOM 0 H ASN A 90 -0.840 -26.835 -22.130 1.00 2.43 H new ATOM 0 HA ASN A 90 1.577 -25.602 -23.306 1.00 44.31 H new ATOM 0 HB2 ASN A 90 0.710 -25.167 -20.853 1.00 13.44 H new ATOM 0 HB3 ASN A 90 1.354 -26.763 -20.524 1.00 13.44 H new ATOM 0 HD21 ASN A 90 3.812 -23.592 -20.532 1.00 62.33 H new ATOM 0 HD22 ASN A 90 2.048 -23.523 -20.451 1.00 62.33 H new ATOM 1181 N ASP A 91 0.946 -28.738 -22.684 1.00 71.14 N ATOM 1182 CA ASP A 91 1.401 -30.104 -22.916 1.00 55.00 C ATOM 1183 C ASP A 91 0.959 -30.599 -24.290 1.00 13.44 C ATOM 1184 O ASP A 91 1.516 -31.557 -24.825 1.00 34.24 O ATOM 1185 CB ASP A 91 0.864 -31.036 -21.828 1.00 3.13 C ATOM 1186 CG ASP A 91 1.826 -32.160 -21.502 1.00 34.13 C ATOM 1187 OD1 ASP A 91 3.018 -31.871 -21.266 1.00 31.01 O ATOM 1188 OD2 ASP A 91 1.388 -33.330 -21.483 1.00 70.20 O ATOM 0 H ASP A 91 -0.014 -28.665 -22.349 1.00 71.14 H new ATOM 0 HA ASP A 91 2.490 -30.108 -22.881 1.00 55.00 H new ATOM 0 HB2 ASP A 91 0.665 -30.459 -20.925 1.00 3.13 H new ATOM 0 HB3 ASP A 91 -0.087 -31.458 -22.152 1.00 3.13 H new ATOM 1192 N ALA A 92 -0.046 -29.939 -24.855 1.00 3.30 N ATOM 1193 CA ALA A 92 -0.563 -30.311 -26.167 1.00 24.52 C ATOM 1194 C ALA A 92 -0.170 -29.284 -27.222 1.00 44.22 C ATOM 1195 O ALA A 92 -0.145 -29.584 -28.417 1.00 34.43 O ATOM 1196 CB ALA A 92 -2.075 -30.465 -26.114 1.00 45.23 C ATOM 0 H ALA A 92 -0.519 -29.144 -24.425 1.00 3.30 H new ATOM 0 HA ALA A 92 -0.122 -31.268 -26.447 1.00 24.52 H new ATOM 0 HB1 ALA A 92 -2.447 -30.743 -27.100 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -2.337 -31.242 -25.395 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -2.526 -29.521 -25.808 1.00 45.23 H new ATOM 1202 N VAL A 93 0.136 -28.069 -26.776 1.00 55.11 N ATOM 1203 CA VAL A 93 0.528 -26.998 -27.683 1.00 3.13 C ATOM 1204 C VAL A 93 2.021 -26.709 -27.580 1.00 21.03 C ATOM 1205 O VAL A 93 2.689 -26.475 -28.587 1.00 74.45 O ATOM 1206 CB VAL A 93 -0.255 -25.703 -27.394 1.00 34.32 C ATOM 1207 CG1 VAL A 93 0.698 -24.530 -27.218 1.00 65.22 C ATOM 1208 CG2 VAL A 93 -1.255 -25.426 -28.505 1.00 40.31 C ATOM 0 H VAL A 93 0.120 -27.803 -25.791 1.00 55.11 H new ATOM 0 HA VAL A 93 0.295 -27.337 -28.692 1.00 3.13 H new ATOM 0 HB VAL A 93 -0.808 -25.833 -26.464 1.00 34.32 H new ATOM 0 HG11 VAL A 93 0.127 -23.624 -27.015 1.00 65.22 H new ATOM 0 HG12 VAL A 93 1.371 -24.730 -26.384 1.00 65.22 H new ATOM 0 HG13 VAL A 93 1.280 -24.395 -28.129 1.00 65.22 H new ATOM 0 HG21 VAL A 93 -1.799 -24.508 -28.284 1.00 40.31 H new ATOM 0 HG22 VAL A 93 -0.726 -25.316 -29.452 1.00 40.31 H new ATOM 0 HG23 VAL A 93 -1.958 -26.256 -28.577 1.00 40.31 H new ATOM 1218 N GLU A 94 2.539 -26.727 -26.356 1.00 72.51 N ATOM 1219 CA GLU A 94 3.954 -26.468 -26.121 1.00 3.02 C ATOM 1220 C GLU A 94 4.762 -27.761 -26.178 1.00 10.31 C ATOM 1221 O GLU A 94 5.913 -27.768 -26.615 1.00 52.13 O ATOM 1222 CB GLU A 94 4.153 -25.787 -24.765 1.00 70.34 C ATOM 1223 CG GLU A 94 5.117 -24.614 -24.807 1.00 44.34 C ATOM 1224 CD GLU A 94 4.591 -23.400 -24.068 1.00 1.24 C ATOM 1225 OE1 GLU A 94 3.407 -23.053 -24.261 1.00 53.42 O ATOM 1226 OE2 GLU A 94 5.363 -22.795 -23.295 1.00 33.51 O ATOM 0 H GLU A 94 1.999 -26.918 -25.512 1.00 72.51 H new ATOM 0 HA GLU A 94 4.310 -25.804 -26.908 1.00 3.02 H new ATOM 0 HB2 GLU A 94 3.187 -25.439 -24.398 1.00 70.34 H new ATOM 0 HB3 GLU A 94 4.520 -26.522 -24.049 1.00 70.34 H new ATOM 0 HG2 GLU A 94 6.069 -24.916 -24.371 1.00 44.34 H new ATOM 0 HG3 GLU A 94 5.312 -24.346 -25.845 1.00 44.34 H new ATOM 1231 N TYR A 95 4.151 -28.853 -25.732 1.00 13.44 N ATOM 1232 CA TYR A 95 4.812 -30.153 -25.728 1.00 5.34 C ATOM 1233 C TYR A 95 4.554 -30.899 -27.033 1.00 4.53 C ATOM 1234 O TYR A 95 5.447 -31.548 -27.578 1.00 5.42 O ATOM 1235 CB TYR A 95 4.329 -30.990 -24.544 1.00 34.44 C ATOM 1236 CG TYR A 95 4.704 -32.452 -24.644 1.00 52.11 C ATOM 1237 CD1 TYR A 95 3.898 -33.350 -25.332 1.00 35.21 C ATOM 1238 CD2 TYR A 95 5.864 -32.934 -24.050 1.00 54.31 C ATOM 1239 CE1 TYR A 95 4.236 -34.687 -25.424 1.00 5.23 C ATOM 1240 CE2 TYR A 95 6.211 -34.269 -24.139 1.00 11.42 C ATOM 1241 CZ TYR A 95 5.393 -35.141 -24.827 1.00 42.11 C ATOM 1242 OH TYR A 95 5.734 -36.471 -24.917 1.00 21.34 O ATOM 0 H TYR A 95 3.198 -28.864 -25.368 1.00 13.44 H new ATOM 0 HA TYR A 95 5.885 -29.987 -25.632 1.00 5.34 H new ATOM 0 HB2 TYR A 95 4.746 -30.579 -23.625 1.00 34.44 H new ATOM 0 HB3 TYR A 95 3.245 -30.906 -24.468 1.00 34.44 H new ATOM 0 HD1 TYR A 95 2.992 -32.998 -25.803 1.00 35.21 H new ATOM 0 HD2 TYR A 95 6.506 -32.254 -23.509 1.00 54.31 H new ATOM 0 HE1 TYR A 95 3.597 -35.373 -25.961 1.00 5.23 H new ATOM 0 HE2 TYR A 95 7.117 -34.627 -23.673 1.00 11.42 H new ATOM 0 HH TYR A 95 6.578 -36.625 -24.443 1.00 21.34 H new ATOM 1251 N VAL A 96 3.325 -30.801 -27.530 1.00 5.41 N ATOM 1252 CA VAL A 96 2.947 -31.465 -28.772 1.00 31.10 C ATOM 1253 C VAL A 96 3.170 -30.551 -29.973 1.00 54.35 C ATOM 1254 O VAL A 96 3.954 -30.866 -30.868 1.00 32.35 O ATOM 1255 CB VAL A 96 1.472 -31.909 -28.745 1.00 62.32 C ATOM 1256 CG1 VAL A 96 0.858 -31.806 -30.132 1.00 5.21 C ATOM 1257 CG2 VAL A 96 1.354 -33.326 -28.204 1.00 51.22 C ATOM 0 H VAL A 96 2.574 -30.268 -27.091 1.00 5.41 H new ATOM 0 HA VAL A 96 3.582 -32.346 -28.866 1.00 31.10 H new ATOM 0 HB VAL A 96 0.921 -31.243 -28.081 1.00 62.32 H new ATOM 0 HG11 VAL A 96 -0.184 -32.124 -30.093 1.00 5.21 H new ATOM 0 HG12 VAL A 96 0.910 -30.773 -30.477 1.00 5.21 H new ATOM 0 HG13 VAL A 96 1.407 -32.447 -30.822 1.00 5.21 H new ATOM 0 HG21 VAL A 96 0.306 -33.625 -28.191 1.00 51.22 H new ATOM 0 HG22 VAL A 96 1.918 -34.007 -28.842 1.00 51.22 H new ATOM 0 HG23 VAL A 96 1.754 -33.363 -27.191 1.00 51.22 H new ATOM 1267 N SER A 97 2.474 -29.419 -29.985 1.00 44.34 N ATOM 1268 CA SER A 97 2.592 -28.462 -31.078 1.00 24.43 C ATOM 1269 C SER A 97 3.942 -27.752 -31.034 1.00 2.01 C ATOM 1270 O SER A 97 4.378 -27.162 -32.021 1.00 25.55 O ATOM 1271 CB SER A 97 1.461 -27.434 -31.009 1.00 50.14 C ATOM 1272 OG SER A 97 0.994 -27.102 -32.305 1.00 40.32 O ATOM 0 H SER A 97 1.823 -29.142 -29.250 1.00 44.34 H new ATOM 0 HA SER A 97 2.518 -29.010 -32.017 1.00 24.43 H new ATOM 0 HB2 SER A 97 0.639 -27.832 -30.414 1.00 50.14 H new ATOM 0 HB3 SER A 97 1.813 -26.534 -30.504 1.00 50.14 H new ATOM 0 HG SER A 97 0.271 -26.445 -32.234 1.00 40.32 H new ATOM 1277 N GLY A 98 4.599 -27.813 -29.880 1.00 54.24 N ATOM 1278 CA GLY A 98 5.892 -27.173 -29.727 1.00 34.30 C ATOM 1279 C GLY A 98 7.039 -28.078 -30.133 1.00 31.13 C ATOM 1280 O GLY A 98 8.143 -27.607 -30.405 1.00 63.13 O ATOM 0 H GLY A 98 4.258 -28.295 -29.048 1.00 54.24 H new ATOM 0 HA2 GLY A 98 5.918 -26.265 -30.330 1.00 34.30 H new ATOM 0 HA3 GLY A 98 6.023 -26.869 -28.688 1.00 34.30 H new ATOM 1283 N ARG A 99 6.778 -29.380 -30.171 1.00 14.51 N ATOM 1284 CA ARG A 99 7.797 -30.353 -30.544 1.00 70.42 C ATOM 1285 C ARG A 99 7.901 -30.478 -32.061 1.00 0.12 C ATOM 1286 O ARG A 99 8.982 -30.335 -32.634 1.00 74.12 O ATOM 1287 CB ARG A 99 7.480 -31.717 -29.929 1.00 71.52 C ATOM 1288 CG ARG A 99 8.108 -31.931 -28.562 1.00 15.33 C ATOM 1289 CD ARG A 99 7.837 -33.332 -28.036 1.00 45.15 C ATOM 1290 NE ARG A 99 8.457 -33.557 -26.734 1.00 75.32 N ATOM 1291 CZ ARG A 99 8.693 -34.764 -26.232 1.00 74.11 C ATOM 1292 NH1 ARG A 99 8.363 -35.849 -26.920 1.00 34.32 N ATOM 1293 NH2 ARG A 99 9.261 -34.889 -25.038 1.00 24.11 N ATOM 0 H ARG A 99 5.869 -29.786 -29.948 1.00 14.51 H new ATOM 0 HA ARG A 99 8.755 -30.003 -30.160 1.00 70.42 H new ATOM 0 HB2 ARG A 99 6.399 -31.825 -29.843 1.00 71.52 H new ATOM 0 HB3 ARG A 99 7.826 -32.500 -30.604 1.00 71.52 H new ATOM 0 HG2 ARG A 99 9.184 -31.767 -28.625 1.00 15.33 H new ATOM 0 HG3 ARG A 99 7.714 -31.196 -27.861 1.00 15.33 H new ATOM 0 HD2 ARG A 99 6.761 -33.488 -27.957 1.00 45.15 H new ATOM 0 HD3 ARG A 99 8.214 -34.066 -28.749 1.00 45.15 H new ATOM 0 HE ARG A 99 8.724 -32.743 -26.180 1.00 75.32 H new ATOM 0 HH11 ARG A 99 7.927 -35.758 -27.837 1.00 34.32 H new ATOM 0 HH12 ARG A 99 8.546 -36.774 -26.532 1.00 34.32 H new ATOM 0 HH21 ARG A 99 9.517 -34.058 -24.505 1.00 24.11 H new ATOM 0 HH22 ARG A 99 9.442 -35.816 -24.654 1.00 24.11 H new ATOM 1304 N VAL A 100 6.770 -30.746 -32.706 1.00 30.34 N ATOM 1305 CA VAL A 100 6.733 -30.890 -34.156 1.00 62.00 C ATOM 1306 C VAL A 100 7.129 -29.590 -34.848 1.00 64.32 C ATOM 1307 O VAL A 100 7.649 -29.601 -35.964 1.00 43.35 O ATOM 1308 CB VAL A 100 5.335 -31.312 -34.643 1.00 42.55 C ATOM 1309 CG1 VAL A 100 5.337 -31.535 -36.148 1.00 51.31 C ATOM 1310 CG2 VAL A 100 4.872 -32.563 -33.911 1.00 3.31 C ATOM 0 H VAL A 100 5.867 -30.868 -32.247 1.00 30.34 H new ATOM 0 HA VAL A 100 7.450 -31.669 -34.415 1.00 62.00 H new ATOM 0 HB VAL A 100 4.634 -30.507 -34.421 1.00 42.55 H new ATOM 0 HG11 VAL A 100 4.340 -31.833 -36.473 1.00 51.31 H new ATOM 0 HG12 VAL A 100 5.623 -30.612 -36.652 1.00 51.31 H new ATOM 0 HG13 VAL A 100 6.050 -32.321 -36.398 1.00 51.31 H new ATOM 0 HG21 VAL A 100 3.882 -32.848 -34.267 1.00 3.31 H new ATOM 0 HG22 VAL A 100 5.573 -33.376 -34.100 1.00 3.31 H new ATOM 0 HG23 VAL A 100 4.829 -32.363 -32.840 1.00 3.31 H new ATOM 1320 N HIS A 101 6.880 -28.470 -34.177 1.00 33.13 N ATOM 1321 CA HIS A 101 7.212 -27.159 -34.727 1.00 54.44 C ATOM 1322 C HIS A 101 8.567 -26.682 -34.213 1.00 51.02 C ATOM 1323 O HIS A 101 8.817 -25.481 -34.116 1.00 54.34 O ATOM 1324 CB HIS A 101 6.129 -26.143 -34.365 1.00 41.44 C ATOM 1325 CG HIS A 101 5.923 -25.089 -35.410 1.00 23.41 C ATOM 1326 ND1 HIS A 101 6.830 -24.077 -35.645 1.00 70.13 N ATOM 1327 CD2 HIS A 101 4.910 -24.895 -36.285 1.00 74.21 C ATOM 1328 CE1 HIS A 101 6.381 -23.304 -36.619 1.00 71.15 C ATOM 1329 NE2 HIS A 101 5.217 -23.780 -37.025 1.00 30.13 N ATOM 0 H HIS A 101 6.450 -28.443 -33.252 1.00 33.13 H new ATOM 0 HA HIS A 101 7.267 -27.250 -35.812 1.00 54.44 H new ATOM 0 HB2 HIS A 101 5.189 -26.669 -34.201 1.00 41.44 H new ATOM 0 HB3 HIS A 101 6.393 -25.662 -33.423 1.00 41.44 H new ATOM 0 HD1 HIS A 101 7.710 -23.946 -35.146 1.00 70.13 H new ATOM 0 HD2 HIS A 101 4.024 -25.504 -36.383 1.00 74.21 H new ATOM 0 HE1 HIS A 101 6.880 -22.432 -37.015 1.00 71.15 H new