USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 33 THR OG1 : rot -170:sc= 0.387 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -137:sc= 0.295 (180deg=-0.11) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.473 F(o=-1.3,f=-0.47) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00225) USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.5!) USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= -1.09 (180deg=-4.93!) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= -0.354 (180deg=-0.383) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00908 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -28:sc= -7.44! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -51:sc= 1.02 USER MOD Single : A 50 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.17) USER MOD Single : A 52 THR OG1 : rot -169:sc= -6.71! USER MOD Single : A 56 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.6!) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.929 F(o=0,f=0.93) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.0104 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -11.513 15.099 4.217 1.00 0.00 N ATOM 289 CA GLN A 18 -10.837 15.530 2.988 1.00 0.00 C ATOM 290 C GLN A 18 -11.814 16.399 2.205 1.00 0.00 C ATOM 291 O GLN A 18 -11.531 17.535 1.879 1.00 0.00 O ATOM 292 CB GLN A 18 -10.544 14.224 2.205 1.00 0.00 C ATOM 293 CG GLN A 18 -9.234 14.331 1.432 1.00 0.00 C ATOM 294 CD GLN A 18 -8.568 12.953 1.397 1.00 0.00 C ATOM 295 OE1 GLN A 18 -7.569 12.713 2.201 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -8.950 12.083 0.641 1.00 0.00 N flip ATOM 0 HA GLN A 18 -9.923 16.096 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.494 13.384 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.362 14.019 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.422 14.685 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.574 15.057 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.730 12.263 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.490 11.172 0.638 1.00 0.00 H new ATOM 305 N LEU A 19 -12.971 15.849 1.941 1.00 0.00 N ATOM 306 CA LEU A 19 -13.992 16.611 1.184 1.00 0.00 C ATOM 307 C LEU A 19 -14.567 17.726 2.050 1.00 0.00 C ATOM 308 O LEU A 19 -15.175 18.653 1.554 1.00 0.00 O ATOM 309 CB LEU A 19 -15.133 15.649 0.799 1.00 0.00 C ATOM 310 CG LEU A 19 -14.943 15.163 -0.648 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.368 16.267 -1.619 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.474 14.825 -0.885 1.00 0.00 C ATOM 0 H LEU A 19 -13.247 14.907 2.219 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.533 17.047 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.147 14.797 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.094 16.153 0.899 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.554 14.275 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.233 15.922 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.417 16.513 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.757 17.154 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.341 14.481 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.865 15.713 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.166 14.039 -0.196 1.00 0.00 H new ATOM 324 N LYS A 20 -14.363 17.609 3.337 1.00 0.00 N ATOM 325 CA LYS A 20 -14.886 18.648 4.260 1.00 0.00 C ATOM 326 C LYS A 20 -13.856 19.749 4.445 1.00 0.00 C ATOM 327 O LYS A 20 -14.194 20.910 4.542 1.00 0.00 O ATOM 328 CB LYS A 20 -15.172 17.997 5.626 1.00 0.00 C ATOM 329 CG LYS A 20 -16.178 18.858 6.401 1.00 0.00 C ATOM 330 CD LYS A 20 -16.650 18.087 7.640 1.00 0.00 C ATOM 331 CE LYS A 20 -17.484 19.017 8.530 1.00 0.00 C ATOM 332 NZ LYS A 20 -18.818 19.280 7.914 1.00 0.00 N ATOM 0 H LYS A 20 -13.859 16.842 3.782 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.797 19.077 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.569 16.992 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.247 17.898 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.717 19.800 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.028 19.106 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.243 17.223 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.792 17.707 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.615 18.566 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.954 19.958 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.374 19.898 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.689 19.746 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.322 18.380 7.780 1.00 0.00 H new ATOM 346 N GLU A 21 -12.607 19.367 4.471 1.00 0.00 N ATOM 347 CA GLU A 21 -11.550 20.384 4.648 1.00 0.00 C ATOM 348 C GLU A 21 -11.367 21.092 3.340 1.00 0.00 C ATOM 349 O GLU A 21 -10.787 22.158 3.257 1.00 0.00 O ATOM 350 CB GLU A 21 -10.239 19.675 5.030 1.00 0.00 C ATOM 351 CG GLU A 21 -9.244 20.711 5.552 1.00 0.00 C ATOM 352 CD GLU A 21 -8.055 19.993 6.196 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.361 19.319 5.454 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.909 20.160 7.396 1.00 0.00 O ATOM 0 H GLU A 21 -12.283 18.404 4.378 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.822 21.094 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.429 18.919 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.825 19.159 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.901 21.346 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.728 21.362 6.280 1.00 0.00 H new ATOM 361 N LEU A 22 -11.890 20.469 2.341 1.00 0.00 N ATOM 362 CA LEU A 22 -11.809 21.013 0.991 1.00 0.00 C ATOM 363 C LEU A 22 -12.984 21.938 0.737 1.00 0.00 C ATOM 364 O LEU A 22 -12.834 23.007 0.174 1.00 0.00 O ATOM 365 CB LEU A 22 -11.875 19.816 0.054 1.00 0.00 C ATOM 366 CG LEU A 22 -12.302 20.244 -1.332 1.00 0.00 C ATOM 367 CD1 LEU A 22 -11.308 21.281 -1.861 1.00 0.00 C ATOM 368 CD2 LEU A 22 -12.273 19.010 -2.213 1.00 0.00 C ATOM 0 H LEU A 22 -12.383 19.579 2.413 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.895 21.588 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.900 19.332 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.578 19.080 0.445 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.299 20.684 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.608 21.596 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.296 22.145 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.311 20.842 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.576 19.278 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.263 18.601 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.959 18.263 -1.815 1.00 0.00 H new ATOM 380 N GLU A 23 -14.140 21.514 1.170 1.00 0.00 N ATOM 381 CA GLU A 23 -15.336 22.350 0.967 1.00 0.00 C ATOM 382 C GLU A 23 -15.227 23.579 1.840 1.00 0.00 C ATOM 383 O GLU A 23 -15.870 24.583 1.608 1.00 0.00 O ATOM 384 CB GLU A 23 -16.576 21.534 1.388 1.00 0.00 C ATOM 385 CG GLU A 23 -17.834 22.386 1.211 1.00 0.00 C ATOM 386 CD GLU A 23 -19.061 21.542 1.561 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.843 20.410 1.961 1.00 0.00 O ATOM 388 OE2 GLU A 23 -20.148 22.078 1.412 1.00 0.00 O ATOM 0 H GLU A 23 -14.299 20.629 1.652 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.421 22.649 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.650 20.629 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.481 21.219 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.786 23.265 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.904 22.745 0.184 1.00 0.00 H new ATOM 395 N ARG A 24 -14.390 23.473 2.833 1.00 0.00 N ATOM 396 CA ARG A 24 -14.198 24.609 3.752 1.00 0.00 C ATOM 397 C ARG A 24 -13.242 25.611 3.145 1.00 0.00 C ATOM 398 O ARG A 24 -13.535 26.786 3.065 1.00 0.00 O ATOM 399 CB ARG A 24 -13.602 24.068 5.055 1.00 0.00 C ATOM 400 CG ARG A 24 -14.717 23.891 6.087 1.00 0.00 C ATOM 401 CD ARG A 24 -15.773 22.920 5.547 1.00 0.00 C ATOM 402 NE ARG A 24 -17.123 23.473 5.834 1.00 0.00 N ATOM 403 CZ ARG A 24 -17.598 23.395 7.045 1.00 0.00 C ATOM 404 NH1 ARG A 24 -16.763 23.359 8.046 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.889 23.355 7.213 1.00 0.00 N ATOM 0 H ARG A 24 -13.833 22.644 3.042 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.152 25.103 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.105 23.115 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.845 24.755 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.304 23.511 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.175 24.854 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.643 22.779 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.659 21.941 6.013 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.671 23.908 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.758 23.392 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.115 23.298 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.510 23.385 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.279 23.294 8.153 1.00 0.00 H new ATOM 419 N GLU A 25 -12.105 25.129 2.725 1.00 0.00 N ATOM 420 CA GLU A 25 -11.123 26.045 2.120 1.00 0.00 C ATOM 421 C GLU A 25 -11.737 26.727 0.918 1.00 0.00 C ATOM 422 O GLU A 25 -11.288 27.773 0.494 1.00 0.00 O ATOM 423 CB GLU A 25 -9.913 25.231 1.654 1.00 0.00 C ATOM 424 CG GLU A 25 -9.316 24.481 2.848 1.00 0.00 C ATOM 425 CD GLU A 25 -8.113 25.259 3.384 1.00 0.00 C ATOM 426 OE1 GLU A 25 -8.256 26.464 3.501 1.00 0.00 O ATOM 427 OE2 GLU A 25 -7.118 24.602 3.644 1.00 0.00 O ATOM 0 H GLU A 25 -11.823 24.150 2.777 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.822 26.793 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.212 24.525 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.165 25.890 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.066 24.364 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.011 23.479 2.547 1.00 0.00 H new ATOM 434 N TYR A 26 -12.764 26.119 0.384 1.00 0.00 N ATOM 435 CA TYR A 26 -13.425 26.719 -0.794 1.00 0.00 C ATOM 436 C TYR A 26 -14.446 27.734 -0.337 1.00 0.00 C ATOM 437 O TYR A 26 -14.571 28.800 -0.907 1.00 0.00 O ATOM 438 CB TYR A 26 -14.136 25.605 -1.582 1.00 0.00 C ATOM 439 CG TYR A 26 -13.655 25.635 -3.033 1.00 0.00 C ATOM 440 CD1 TYR A 26 -13.813 26.770 -3.801 1.00 0.00 C ATOM 441 CD2 TYR A 26 -13.045 24.533 -3.592 1.00 0.00 C ATOM 442 CE1 TYR A 26 -13.368 26.802 -5.105 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.600 24.565 -4.897 1.00 0.00 C ATOM 444 CZ TYR A 26 -12.756 25.699 -5.663 1.00 0.00 C ATOM 445 OH TYR A 26 -12.303 25.733 -6.965 1.00 0.00 O ATOM 0 H TYR A 26 -13.165 25.241 0.714 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.684 27.210 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.924 24.634 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.216 25.745 -1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.290 27.641 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.914 23.637 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.499 27.697 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.125 23.693 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.043 26.649 -7.197 1.00 0.00 H new ATOM 455 N ALA A 27 -15.165 27.382 0.689 1.00 0.00 N ATOM 456 CA ALA A 27 -16.185 28.309 1.208 1.00 0.00 C ATOM 457 C ALA A 27 -15.506 29.477 1.900 1.00 0.00 C ATOM 458 O ALA A 27 -16.132 30.468 2.221 1.00 0.00 O ATOM 459 CB ALA A 27 -17.055 27.558 2.228 1.00 0.00 C ATOM 0 H ALA A 27 -15.086 26.494 1.184 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.798 28.682 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.816 28.231 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.537 26.710 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.430 27.199 3.045 1.00 0.00 H new ATOM 465 N THR A 28 -14.224 29.335 2.121 1.00 0.00 N ATOM 466 CA THR A 28 -13.475 30.417 2.788 1.00 0.00 C ATOM 467 C THR A 28 -13.295 31.578 1.835 1.00 0.00 C ATOM 468 O THR A 28 -13.377 32.726 2.223 1.00 0.00 O ATOM 469 CB THR A 28 -12.093 29.881 3.181 1.00 0.00 C ATOM 470 OG1 THR A 28 -12.238 29.403 4.503 1.00 0.00 O ATOM 471 CG2 THR A 28 -11.074 31.027 3.292 1.00 0.00 C ATOM 0 H THR A 28 -13.674 28.515 1.866 1.00 0.00 H new ATOM 0 HA THR A 28 -14.022 30.754 3.669 1.00 0.00 H new ATOM 0 HB THR A 28 -11.761 29.144 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.382 29.042 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.101 30.623 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.993 31.536 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.405 31.736 4.051 1.00 0.00 H new ATOM 479 N ASN A 29 -13.046 31.257 0.598 1.00 0.00 N ATOM 480 CA ASN A 29 -12.857 32.330 -0.401 1.00 0.00 C ATOM 481 C ASN A 29 -13.109 31.815 -1.807 1.00 0.00 C ATOM 482 O ASN A 29 -14.105 32.138 -2.423 1.00 0.00 O ATOM 483 CB ASN A 29 -11.406 32.820 -0.315 1.00 0.00 C ATOM 484 CG ASN A 29 -11.150 33.838 -1.426 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.904 33.485 -2.562 1.00 0.00 O ATOM 486 ND2 ASN A 29 -11.197 35.109 -1.140 1.00 0.00 N ATOM 0 H ASN A 29 -12.967 30.304 0.242 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.561 33.135 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.220 33.273 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.720 31.979 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.028 35.802 -1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.403 35.410 -0.188 1.00 0.00 H new ATOM 493 N LYS A 30 -12.202 31.008 -2.280 1.00 0.00 N ATOM 494 CA LYS A 30 -12.342 30.444 -3.643 1.00 0.00 C ATOM 495 C LYS A 30 -11.224 29.457 -3.876 1.00 0.00 C ATOM 496 O LYS A 30 -11.433 28.369 -4.368 1.00 0.00 O ATOM 497 CB LYS A 30 -12.217 31.589 -4.667 1.00 0.00 C ATOM 498 CG LYS A 30 -12.838 31.153 -5.993 1.00 0.00 C ATOM 499 CD LYS A 30 -12.389 32.117 -7.091 1.00 0.00 C ATOM 500 CE LYS A 30 -12.539 31.435 -8.451 1.00 0.00 C ATOM 501 NZ LYS A 30 -11.627 30.262 -8.550 1.00 0.00 N ATOM 0 H LYS A 30 -11.366 30.715 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.307 29.949 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.719 32.482 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.169 31.849 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.532 30.136 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.925 31.149 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.988 33.027 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.352 32.412 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.571 31.113 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.315 32.145 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.175 30.252 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.896 30.327 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.172 29.386 -8.420 1.00 0.00 H new ATOM 515 N PHE A 31 -10.044 29.863 -3.517 1.00 0.00 N ATOM 516 CA PHE A 31 -8.891 28.990 -3.694 1.00 0.00 C ATOM 517 C PHE A 31 -7.854 29.305 -2.645 1.00 0.00 C ATOM 518 O PHE A 31 -7.870 30.373 -2.065 1.00 0.00 O ATOM 519 CB PHE A 31 -8.295 29.184 -5.091 1.00 0.00 C ATOM 520 CG PHE A 31 -7.911 27.806 -5.609 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.813 27.157 -5.087 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.712 27.146 -6.519 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.524 25.870 -5.455 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.418 25.854 -6.889 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.323 25.218 -6.351 1.00 0.00 C ATOM 0 H PHE A 31 -9.841 30.774 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.208 27.952 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.018 29.658 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.423 29.837 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.175 27.668 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.572 27.645 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.663 25.370 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.046 25.339 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.095 24.202 -6.637 1.00 0.00 H new ATOM 535 N ILE A 32 -6.971 28.376 -2.419 1.00 0.00 N ATOM 536 CA ILE A 32 -5.918 28.590 -1.407 1.00 0.00 C ATOM 537 C ILE A 32 -4.541 28.759 -2.058 1.00 0.00 C ATOM 538 O ILE A 32 -4.312 28.327 -3.167 1.00 0.00 O ATOM 539 CB ILE A 32 -5.927 27.376 -0.471 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.865 26.298 -1.014 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.471 27.827 0.895 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.212 25.634 -2.222 1.00 0.00 C ATOM 0 H ILE A 32 -6.938 27.475 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.117 29.507 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.916 26.976 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.072 25.556 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.821 26.739 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.487 26.978 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.830 28.609 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.483 28.214 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.875 24.863 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.027 26.382 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.267 25.181 -1.922 1.00 0.00 H new ATOM 554 N THR A 33 -3.647 29.381 -1.340 1.00 0.00 N ATOM 555 CA THR A 33 -2.278 29.602 -1.887 1.00 0.00 C ATOM 556 C THR A 33 -1.441 28.332 -1.868 1.00 0.00 C ATOM 557 O THR A 33 -1.728 27.402 -1.149 1.00 0.00 O ATOM 558 CB THR A 33 -1.579 30.660 -1.032 1.00 0.00 C ATOM 559 OG1 THR A 33 -2.487 31.740 -0.954 1.00 0.00 O ATOM 560 CG2 THR A 33 -0.359 31.231 -1.769 1.00 0.00 C ATOM 0 H THR A 33 -3.804 29.745 -0.400 1.00 0.00 H new ATOM 0 HA THR A 33 -2.376 29.924 -2.924 1.00 0.00 H new ATOM 0 HB THR A 33 -1.283 30.228 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.040 32.515 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.125 31.982 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.346 30.428 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.681 31.689 -2.704 1.00 0.00 H new ATOM 568 N LYS A 34 -0.404 28.333 -2.665 1.00 0.00 N ATOM 569 CA LYS A 34 0.483 27.146 -2.727 1.00 0.00 C ATOM 570 C LYS A 34 0.809 26.647 -1.339 1.00 0.00 C ATOM 571 O LYS A 34 0.827 25.457 -1.096 1.00 0.00 O ATOM 572 CB LYS A 34 1.781 27.554 -3.434 1.00 0.00 C ATOM 573 CG LYS A 34 1.440 28.424 -4.650 1.00 0.00 C ATOM 574 CD LYS A 34 0.380 27.708 -5.518 1.00 0.00 C ATOM 575 CE LYS A 34 -1.045 28.169 -5.127 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.920 28.213 -6.331 1.00 0.00 N ATOM 0 H LYS A 34 -0.138 29.107 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.021 26.346 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.426 28.103 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.332 26.668 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.063 29.393 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.338 28.614 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.561 27.921 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.467 26.629 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.466 27.487 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.002 29.155 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.902 28.391 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.603 28.975 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.867 27.303 -6.832 1.00 0.00 H new ATOM 590 N ASP A 35 1.065 27.553 -0.447 1.00 0.00 N ATOM 591 CA ASP A 35 1.387 27.123 0.924 1.00 0.00 C ATOM 592 C ASP A 35 0.154 26.507 1.545 1.00 0.00 C ATOM 593 O ASP A 35 0.235 25.621 2.381 1.00 0.00 O ATOM 594 CB ASP A 35 1.799 28.355 1.747 1.00 0.00 C ATOM 595 CG ASP A 35 2.261 27.901 3.133 1.00 0.00 C ATOM 596 OD1 ASP A 35 3.013 26.940 3.164 1.00 0.00 O ATOM 597 OD2 ASP A 35 1.835 28.537 4.081 1.00 0.00 O ATOM 0 H ASP A 35 1.065 28.560 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 35 2.199 26.396 0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.600 28.894 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.959 29.044 1.838 1.00 0.00 H new ATOM 602 N LYS A 36 -0.978 26.969 1.099 1.00 0.00 N ATOM 603 CA LYS A 36 -2.230 26.444 1.631 1.00 0.00 C ATOM 604 C LYS A 36 -2.651 25.211 0.846 1.00 0.00 C ATOM 605 O LYS A 36 -3.349 24.362 1.353 1.00 0.00 O ATOM 606 CB LYS A 36 -3.290 27.545 1.531 1.00 0.00 C ATOM 607 CG LYS A 36 -2.972 28.604 2.594 1.00 0.00 C ATOM 608 CD LYS A 36 -3.925 29.789 2.445 1.00 0.00 C ATOM 609 CE LYS A 36 -3.270 31.041 3.037 1.00 0.00 C ATOM 610 NZ LYS A 36 -2.895 31.993 1.955 1.00 0.00 N ATOM 0 H LYS A 36 -1.075 27.691 0.385 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.109 26.148 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.285 27.990 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.286 27.131 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.067 28.172 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.940 28.940 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.161 29.951 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.866 29.581 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.956 31.524 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.384 30.761 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.948 32.378 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.890 31.496 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.585 32.771 1.922 1.00 0.00 H new ATOM 624 N ARG A 37 -2.201 25.124 -0.384 1.00 0.00 N ATOM 625 CA ARG A 37 -2.570 23.949 -1.205 1.00 0.00 C ATOM 626 C ARG A 37 -1.881 22.740 -0.630 1.00 0.00 C ATOM 627 O ARG A 37 -2.438 21.663 -0.548 1.00 0.00 O ATOM 628 CB ARG A 37 -2.045 24.150 -2.638 1.00 0.00 C ATOM 629 CG ARG A 37 -2.863 25.220 -3.351 1.00 0.00 C ATOM 630 CD ARG A 37 -2.431 25.274 -4.824 1.00 0.00 C ATOM 631 NE ARG A 37 -2.815 24.008 -5.497 1.00 0.00 N ATOM 632 CZ ARG A 37 -1.912 23.350 -6.170 1.00 0.00 C ATOM 633 NH1 ARG A 37 -1.166 23.998 -7.023 1.00 0.00 N ATOM 634 NH2 ARG A 37 -1.781 22.073 -5.962 1.00 0.00 N ATOM 0 H ARG A 37 -1.602 25.811 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.653 23.824 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.995 24.442 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.101 23.211 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.927 24.993 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.711 26.190 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.903 26.121 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.353 25.423 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.771 23.658 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.295 25.001 -7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.454 23.501 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.379 21.603 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.080 21.541 -6.479 1.00 0.00 H new ATOM 648 N ARG A 38 -0.659 22.957 -0.239 1.00 0.00 N ATOM 649 CA ARG A 38 0.130 21.862 0.341 1.00 0.00 C ATOM 650 C ARG A 38 -0.340 21.549 1.748 1.00 0.00 C ATOM 651 O ARG A 38 -0.256 20.422 2.188 1.00 0.00 O ATOM 652 CB ARG A 38 1.607 22.288 0.396 1.00 0.00 C ATOM 653 CG ARG A 38 2.470 21.044 0.634 1.00 0.00 C ATOM 654 CD ARG A 38 3.940 21.384 0.367 1.00 0.00 C ATOM 655 NE ARG A 38 4.035 22.189 -0.881 1.00 0.00 N ATOM 656 CZ ARG A 38 4.744 23.282 -0.882 1.00 0.00 C ATOM 657 NH1 ARG A 38 4.665 24.085 0.142 1.00 0.00 N ATOM 658 NH2 ARG A 38 5.509 23.536 -1.909 1.00 0.00 N ATOM 0 H ARG A 38 -0.178 23.854 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 38 0.007 20.974 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.895 22.774 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.761 23.013 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.347 20.693 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.148 20.234 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.355 21.941 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.526 20.470 0.270 1.00 0.00 H new ATOM 0 HE ARG A 38 3.550 21.888 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.056 23.853 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.213 24.945 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.544 22.884 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.071 24.387 -1.928 1.00 0.00 H new ATOM 672 N ARG A 39 -0.833 22.547 2.443 1.00 0.00 N ATOM 673 CA ARG A 39 -1.298 22.274 3.812 1.00 0.00 C ATOM 674 C ARG A 39 -2.347 21.220 3.732 1.00 0.00 C ATOM 675 O ARG A 39 -2.364 20.287 4.511 1.00 0.00 O ATOM 676 CB ARG A 39 -1.900 23.550 4.411 1.00 0.00 C ATOM 677 CG ARG A 39 -0.879 24.185 5.357 1.00 0.00 C ATOM 678 CD ARG A 39 -1.113 25.696 5.413 1.00 0.00 C ATOM 679 NE ARG A 39 -0.335 26.265 6.550 1.00 0.00 N ATOM 680 CZ ARG A 39 -0.508 27.514 6.882 1.00 0.00 C ATOM 681 NH1 ARG A 39 -0.152 28.445 6.041 1.00 0.00 N ATOM 682 NH2 ARG A 39 -1.030 27.791 8.047 1.00 0.00 N ATOM 0 H ARG A 39 -0.927 23.510 2.120 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.470 21.945 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.165 24.250 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.818 23.316 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.972 23.754 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.133 23.975 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.805 26.160 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.175 25.908 5.539 1.00 0.00 H new ATOM 0 HE ARG A 39 0.327 25.683 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.254 28.191 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.280 29.427 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.295 27.036 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.173 28.762 8.324 1.00 0.00 H new ATOM 696 N ILE A 40 -3.218 21.377 2.782 1.00 0.00 N ATOM 697 CA ILE A 40 -4.270 20.386 2.633 1.00 0.00 C ATOM 698 C ILE A 40 -3.630 19.055 2.321 1.00 0.00 C ATOM 699 O ILE A 40 -3.602 18.173 3.144 1.00 0.00 O ATOM 700 CB ILE A 40 -5.149 20.762 1.457 1.00 0.00 C ATOM 701 CG1 ILE A 40 -5.631 22.203 1.574 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.349 19.847 1.487 1.00 0.00 C ATOM 703 CD1 ILE A 40 -5.878 22.784 0.164 1.00 0.00 C ATOM 0 H ILE A 40 -3.235 22.148 2.114 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.860 20.336 3.548 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.584 20.665 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.549 22.243 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.889 22.803 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.010 20.086 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.019 18.811 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.886 19.982 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.223 23.814 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.950 22.758 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.636 22.190 -0.347 1.00 0.00 H new ATOM 715 N SER A 41 -3.103 18.947 1.120 1.00 0.00 N ATOM 716 CA SER A 41 -2.446 17.677 0.715 1.00 0.00 C ATOM 717 C SER A 41 -1.612 17.101 1.855 1.00 0.00 C ATOM 718 O SER A 41 -1.357 15.914 1.896 1.00 0.00 O ATOM 719 CB SER A 41 -1.512 17.975 -0.472 1.00 0.00 C ATOM 720 OG SER A 41 -0.521 16.961 -0.404 1.00 0.00 O ATOM 0 H SER A 41 -3.103 19.683 0.413 1.00 0.00 H new ATOM 0 HA SER A 41 -3.215 16.952 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.050 17.942 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.071 18.968 -0.391 1.00 0.00 H new ATOM 0 HG SER A 41 0.120 17.080 -1.136 1.00 0.00 H new ATOM 726 N ALA A 42 -1.194 17.949 2.762 1.00 0.00 N ATOM 727 CA ALA A 42 -0.378 17.451 3.893 1.00 0.00 C ATOM 728 C ALA A 42 -1.280 16.928 4.992 1.00 0.00 C ATOM 729 O ALA A 42 -0.947 15.989 5.686 1.00 0.00 O ATOM 730 CB ALA A 42 0.455 18.619 4.446 1.00 0.00 C ATOM 0 H ALA A 42 -1.384 18.951 2.763 1.00 0.00 H new ATOM 0 HA ALA A 42 0.271 16.646 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.063 18.269 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.105 19.006 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.211 19.411 4.789 1.00 0.00 H new ATOM 736 N THR A 43 -2.412 17.552 5.127 1.00 0.00 N ATOM 737 CA THR A 43 -3.366 17.126 6.165 1.00 0.00 C ATOM 738 C THR A 43 -4.326 16.118 5.576 1.00 0.00 C ATOM 739 O THR A 43 -4.948 15.346 6.279 1.00 0.00 O ATOM 740 CB THR A 43 -4.152 18.355 6.622 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.348 18.969 7.607 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.428 17.942 7.365 1.00 0.00 C ATOM 0 H THR A 43 -2.714 18.342 4.557 1.00 0.00 H new ATOM 0 HA THR A 43 -2.837 16.676 7.005 1.00 0.00 H new ATOM 0 HB THR A 43 -4.397 18.977 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.798 19.772 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.970 18.833 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.059 17.349 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.163 17.350 8.241 1.00 0.00 H new ATOM 750 N THR A 44 -4.414 16.150 4.276 1.00 0.00 N ATOM 751 CA THR A 44 -5.308 15.229 3.567 1.00 0.00 C ATOM 752 C THR A 44 -4.514 14.076 2.967 1.00 0.00 C ATOM 753 O THR A 44 -5.052 13.018 2.706 1.00 0.00 O ATOM 754 CB THR A 44 -5.976 16.027 2.459 1.00 0.00 C ATOM 755 OG1 THR A 44 -4.937 16.712 1.815 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.847 17.134 3.056 1.00 0.00 C ATOM 0 H THR A 44 -3.892 16.789 3.677 1.00 0.00 H new ATOM 0 HA THR A 44 -6.046 14.806 4.249 1.00 0.00 H new ATOM 0 HB THR A 44 -6.565 15.365 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.209 16.874 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.320 17.698 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.616 16.691 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.227 17.803 3.653 1.00 0.00 H new ATOM 764 N ASN A 45 -3.243 14.321 2.743 1.00 0.00 N ATOM 765 CA ASN A 45 -2.363 13.270 2.163 1.00 0.00 C ATOM 766 C ASN A 45 -2.527 13.144 0.649 1.00 0.00 C ATOM 767 O ASN A 45 -2.522 12.050 0.118 1.00 0.00 O ATOM 768 CB ASN A 45 -2.715 11.921 2.820 1.00 0.00 C ATOM 769 CG ASN A 45 -1.434 11.108 3.019 1.00 0.00 C ATOM 770 OD1 ASN A 45 -1.130 10.209 2.260 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.658 11.388 4.032 1.00 0.00 N ATOM 0 H ASN A 45 -2.781 15.209 2.940 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.328 13.551 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.207 12.087 3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.416 11.370 2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.197 10.853 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.908 12.141 4.673 1.00 0.00 H new ATOM 778 N LEU A 46 -2.657 14.262 -0.027 1.00 0.00 N ATOM 779 CA LEU A 46 -2.816 14.196 -1.509 1.00 0.00 C ATOM 780 C LEU A 46 -1.469 14.417 -2.182 1.00 0.00 C ATOM 781 O LEU A 46 -0.545 13.654 -1.984 1.00 0.00 O ATOM 782 CB LEU A 46 -3.790 15.299 -1.961 1.00 0.00 C ATOM 783 CG LEU A 46 -5.171 15.039 -1.345 1.00 0.00 C ATOM 784 CD1 LEU A 46 -5.785 16.341 -0.911 1.00 0.00 C ATOM 785 CD2 LEU A 46 -6.103 14.425 -2.389 1.00 0.00 C ATOM 0 H LEU A 46 -2.660 15.199 0.377 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.204 13.216 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.419 16.276 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.861 15.314 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.045 14.365 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.766 16.153 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.143 16.817 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.892 16.998 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.081 14.244 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.209 15.110 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.685 13.482 -2.740 1.00 0.00 H new ATOM 797 N SER A 47 -1.376 15.454 -2.964 1.00 0.00 N ATOM 798 CA SER A 47 -0.089 15.730 -3.651 1.00 0.00 C ATOM 799 C SER A 47 -0.059 17.156 -4.179 1.00 0.00 C ATOM 800 O SER A 47 0.724 17.480 -5.037 1.00 0.00 O ATOM 801 CB SER A 47 0.051 14.759 -4.835 1.00 0.00 C ATOM 802 OG SER A 47 1.389 14.942 -5.275 1.00 0.00 O ATOM 0 H SER A 47 -2.128 16.116 -3.155 1.00 0.00 H new ATOM 0 HA SER A 47 0.729 15.600 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.131 13.729 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.664 14.988 -5.625 1.00 0.00 H new ATOM 0 HG SER A 47 1.561 15.897 -5.411 1.00 0.00 H new ATOM 808 N GLU A 48 -0.930 17.972 -3.647 1.00 0.00 N ATOM 809 CA GLU A 48 -1.002 19.385 -4.076 1.00 0.00 C ATOM 810 C GLU A 48 -1.565 19.416 -5.453 1.00 0.00 C ATOM 811 O GLU A 48 -2.676 19.860 -5.667 1.00 0.00 O ATOM 812 CB GLU A 48 0.407 20.005 -4.062 1.00 0.00 C ATOM 813 CG GLU A 48 1.190 19.444 -2.868 1.00 0.00 C ATOM 814 CD GLU A 48 2.277 20.443 -2.465 1.00 0.00 C ATOM 815 OE1 GLU A 48 1.965 21.620 -2.497 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.356 19.969 -2.151 1.00 0.00 O ATOM 0 H GLU A 48 -1.600 17.709 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.635 19.960 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.927 19.778 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.340 21.091 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.517 19.262 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.639 18.486 -3.130 1.00 0.00 H new ATOM 823 N ARG A 49 -0.808 18.932 -6.372 1.00 0.00 N ATOM 824 CA ARG A 49 -1.297 18.924 -7.743 1.00 0.00 C ATOM 825 C ARG A 49 -2.639 18.242 -7.729 1.00 0.00 C ATOM 826 O ARG A 49 -3.551 18.613 -8.441 1.00 0.00 O ATOM 827 CB ARG A 49 -0.329 18.126 -8.617 1.00 0.00 C ATOM 828 CG ARG A 49 0.379 17.066 -7.780 1.00 0.00 C ATOM 829 CD ARG A 49 0.815 15.920 -8.698 1.00 0.00 C ATOM 830 NE ARG A 49 1.481 16.490 -9.906 1.00 0.00 N ATOM 831 CZ ARG A 49 2.688 16.978 -9.804 1.00 0.00 C ATOM 832 NH1 ARG A 49 3.459 16.559 -8.838 1.00 0.00 N ATOM 833 NH2 ARG A 49 3.086 17.867 -10.673 1.00 0.00 N ATOM 0 H ARG A 49 0.124 18.544 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.378 19.936 -8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.871 17.652 -9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.404 18.796 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.245 17.498 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.287 16.693 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.498 15.254 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.049 15.323 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 49 0.997 16.498 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.116 15.861 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.405 16.929 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.457 18.170 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.026 18.259 -10.608 1.00 0.00 H new ATOM 847 N GLN A 50 -2.727 17.238 -6.895 1.00 0.00 N ATOM 848 CA GLN A 50 -3.976 16.492 -6.777 1.00 0.00 C ATOM 849 C GLN A 50 -5.011 17.392 -6.150 1.00 0.00 C ATOM 850 O GLN A 50 -6.180 17.296 -6.448 1.00 0.00 O ATOM 851 CB GLN A 50 -3.743 15.284 -5.854 1.00 0.00 C ATOM 852 CG GLN A 50 -3.697 14.006 -6.690 1.00 0.00 C ATOM 853 CD GLN A 50 -5.103 13.686 -7.202 1.00 0.00 C ATOM 854 OE1 GLN A 50 -5.309 13.437 -8.374 1.00 0.00 O ATOM 855 NE2 GLN A 50 -6.097 13.680 -6.357 1.00 0.00 N ATOM 0 H GLN A 50 -1.970 16.914 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.312 16.154 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.809 15.406 -5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.541 15.219 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.012 14.131 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.319 13.178 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.931 13.888 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.040 13.467 -6.681 1.00 0.00 H new ATOM 864 N VAL A 51 -4.551 18.280 -5.287 1.00 0.00 N ATOM 865 CA VAL A 51 -5.498 19.193 -4.636 1.00 0.00 C ATOM 866 C VAL A 51 -5.995 20.161 -5.672 1.00 0.00 C ATOM 867 O VAL A 51 -7.165 20.411 -5.804 1.00 0.00 O ATOM 868 CB VAL A 51 -4.804 19.963 -3.506 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.881 20.554 -2.586 1.00 0.00 C ATOM 870 CG2 VAL A 51 -3.934 19.004 -2.693 1.00 0.00 C ATOM 0 H VAL A 51 -3.573 18.395 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.326 18.627 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.182 20.754 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.405 21.106 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.518 21.228 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.486 19.748 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.441 19.552 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.558 18.219 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.181 18.556 -3.342 1.00 0.00 H new ATOM 880 N THR A 52 -5.082 20.684 -6.405 1.00 0.00 N ATOM 881 CA THR A 52 -5.460 21.624 -7.437 1.00 0.00 C ATOM 882 C THR A 52 -6.524 20.962 -8.270 1.00 0.00 C ATOM 883 O THR A 52 -7.497 21.565 -8.677 1.00 0.00 O ATOM 884 CB THR A 52 -4.238 21.850 -8.302 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.181 21.221 -7.614 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.834 23.324 -8.342 1.00 0.00 C ATOM 0 H THR A 52 -4.083 20.494 -6.326 1.00 0.00 H new ATOM 0 HA THR A 52 -5.822 22.566 -7.025 1.00 0.00 H new ATOM 0 HB THR A 52 -4.440 21.490 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.328 21.473 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.953 23.443 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.654 23.915 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.606 23.666 -7.333 1.00 0.00 H new ATOM 894 N ILE A 53 -6.294 19.702 -8.489 1.00 0.00 N ATOM 895 CA ILE A 53 -7.222 18.892 -9.276 1.00 0.00 C ATOM 896 C ILE A 53 -8.426 18.539 -8.420 1.00 0.00 C ATOM 897 O ILE A 53 -9.493 18.236 -8.919 1.00 0.00 O ATOM 898 CB ILE A 53 -6.464 17.623 -9.674 1.00 0.00 C ATOM 899 CG1 ILE A 53 -5.854 17.795 -11.056 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.433 16.434 -9.710 1.00 0.00 C ATOM 901 CD1 ILE A 53 -5.211 19.178 -11.168 1.00 0.00 C ATOM 0 H ILE A 53 -5.478 19.198 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.576 19.424 -10.159 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.676 17.441 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.107 17.021 -11.233 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.622 17.678 -11.820 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.891 15.532 -9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.877 16.296 -8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.220 16.628 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.775 19.297 -12.160 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.969 19.945 -11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.430 19.278 -10.414 1.00 0.00 H new ATOM 913 N TRP A 54 -8.221 18.583 -7.133 1.00 0.00 N ATOM 914 CA TRP A 54 -9.312 18.265 -6.204 1.00 0.00 C ATOM 915 C TRP A 54 -10.271 19.416 -6.187 1.00 0.00 C ATOM 916 O TRP A 54 -11.471 19.240 -6.167 1.00 0.00 O ATOM 917 CB TRP A 54 -8.698 18.106 -4.805 1.00 0.00 C ATOM 918 CG TRP A 54 -9.689 17.541 -3.827 1.00 0.00 C ATOM 919 CD1 TRP A 54 -10.868 17.055 -4.154 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.453 17.419 -2.544 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.350 16.603 -2.987 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.505 16.799 -1.913 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.370 17.872 -1.789 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.483 16.617 -0.558 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.365 17.689 -0.435 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.411 17.066 0.183 1.00 0.00 C ATOM 0 H TRP A 54 -7.334 18.829 -6.693 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.832 17.355 -6.503 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.828 17.452 -4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.346 19.074 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.335 17.027 -5.128 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.262 16.154 -2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.540 18.365 -2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.307 16.120 -0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.528 18.040 0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.398 16.925 1.254 1.00 0.00 H new ATOM 937 N PHE A 55 -9.719 20.592 -6.217 1.00 0.00 N ATOM 938 CA PHE A 55 -10.581 21.780 -6.202 1.00 0.00 C ATOM 939 C PHE A 55 -11.371 21.879 -7.489 1.00 0.00 C ATOM 940 O PHE A 55 -12.534 22.231 -7.484 1.00 0.00 O ATOM 941 CB PHE A 55 -9.695 23.004 -6.059 1.00 0.00 C ATOM 942 CG PHE A 55 -9.403 23.205 -4.583 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.911 22.162 -3.829 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.652 24.414 -3.972 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.673 22.320 -2.490 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.413 24.572 -2.627 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.923 23.524 -1.885 1.00 0.00 C ATOM 0 H PHE A 55 -8.716 20.773 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.284 21.712 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.768 22.870 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.190 23.883 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.711 21.210 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.036 25.241 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.288 21.495 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.611 25.522 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.736 23.649 -0.829 1.00 0.00 H new ATOM 957 N GLN A 56 -10.726 21.570 -8.576 1.00 0.00 N ATOM 958 CA GLN A 56 -11.426 21.639 -9.870 1.00 0.00 C ATOM 959 C GLN A 56 -12.540 20.616 -9.900 1.00 0.00 C ATOM 960 O GLN A 56 -13.610 20.870 -10.418 1.00 0.00 O ATOM 961 CB GLN A 56 -10.420 21.319 -10.975 1.00 0.00 C ATOM 962 CG GLN A 56 -10.852 21.983 -12.290 1.00 0.00 C ATOM 963 CD GLN A 56 -11.631 20.972 -13.133 1.00 0.00 C ATOM 964 OE1 GLN A 56 -12.623 20.419 -12.702 1.00 0.00 O ATOM 965 NE2 GLN A 56 -11.215 20.703 -14.339 1.00 0.00 N ATOM 0 H GLN A 56 -9.750 21.275 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.849 22.633 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.429 21.672 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.347 20.240 -11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.471 22.856 -12.084 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.978 22.334 -12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.383 21.164 -14.706 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.722 20.031 -14.915 1.00 0.00 H new ATOM 974 N ASN A 57 -12.273 19.466 -9.338 1.00 0.00 N ATOM 975 CA ASN A 57 -13.309 18.423 -9.326 1.00 0.00 C ATOM 976 C ASN A 57 -14.413 18.912 -8.453 1.00 0.00 C ATOM 977 O ASN A 57 -15.549 18.492 -8.554 1.00 0.00 O ATOM 978 CB ASN A 57 -12.723 17.126 -8.737 1.00 0.00 C ATOM 979 CG ASN A 57 -12.210 16.236 -9.872 1.00 0.00 C ATOM 980 OD1 ASN A 57 -13.065 15.530 -10.562 1.00 0.00 O flip ATOM 981 ND2 ASN A 57 -11.027 16.175 -10.138 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.389 19.217 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.670 18.218 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.911 17.361 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.484 16.598 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.355 16.724 -9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.705 15.575 -10.897 1.00 0.00 H new ATOM 988 N ARG A 58 -14.046 19.807 -7.595 1.00 0.00 N ATOM 989 CA ARG A 58 -15.018 20.376 -6.684 1.00 0.00 C ATOM 990 C ARG A 58 -15.773 21.455 -7.435 1.00 0.00 C ATOM 991 O ARG A 58 -16.881 21.820 -7.086 1.00 0.00 O ATOM 992 CB ARG A 58 -14.249 20.995 -5.513 1.00 0.00 C ATOM 993 CG ARG A 58 -14.833 20.488 -4.192 1.00 0.00 C ATOM 994 CD ARG A 58 -16.267 20.996 -4.048 1.00 0.00 C ATOM 995 NE ARG A 58 -16.647 20.967 -2.608 1.00 0.00 N ATOM 996 CZ ARG A 58 -16.941 19.826 -2.047 1.00 0.00 C ATOM 997 NH1 ARG A 58 -18.006 19.183 -2.443 1.00 0.00 N ATOM 998 NH2 ARG A 58 -16.162 19.367 -1.107 1.00 0.00 N ATOM 0 H ARG A 58 -13.096 20.164 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.717 19.627 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.193 20.734 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.312 22.082 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.816 19.398 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.226 20.835 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.349 22.010 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.947 20.374 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.677 21.830 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.593 19.574 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.251 18.290 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.339 19.898 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.376 18.477 -0.657 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.148 21.928 -8.496 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.787 22.981 -9.310 1.00 0.00 C ATOM 1014 C ARG A 59 -16.598 22.310 -10.380 1.00 0.00 C ATOM 1015 O ARG A 59 -17.446 22.907 -11.013 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.693 23.836 -9.968 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.307 25.155 -10.450 1.00 0.00 C ATOM 1018 CD ARG A 59 -14.324 25.859 -11.392 1.00 0.00 C ATOM 1019 NE ARG A 59 -13.609 26.926 -10.639 1.00 0.00 N ATOM 1020 CZ ARG A 59 -12.818 27.742 -11.281 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -12.171 27.301 -12.324 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -12.701 28.970 -10.857 1.00 0.00 N ATOM 0 H ARG A 59 -14.230 21.623 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.422 23.615 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.891 24.033 -9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.250 23.299 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.248 24.964 -10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.534 25.796 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.610 25.141 -11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.858 26.290 -12.239 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.736 27.018 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.288 26.333 -12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.548 27.924 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.223 29.278 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.088 29.622 -11.346 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.303 21.058 -10.558 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.007 20.265 -11.563 1.00 0.00 C ATOM 1038 C VAL A 60 -18.233 19.626 -10.927 1.00 0.00 C ATOM 1039 O VAL A 60 -19.181 19.267 -11.598 1.00 0.00 O ATOM 1040 CB VAL A 60 -16.021 19.176 -12.059 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.456 17.786 -11.567 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.001 19.178 -13.589 1.00 0.00 C ATOM 0 H VAL A 60 -15.589 20.552 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.339 20.881 -12.399 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.029 19.396 -11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.751 17.036 -11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.474 17.775 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.452 17.560 -11.949 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.309 18.414 -13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.001 18.966 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.678 20.155 -13.947 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.178 19.500 -9.627 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.309 18.896 -8.898 1.00 0.00 C ATOM 1054 C LYS A 61 -20.306 19.972 -8.484 1.00 0.00 C ATOM 1055 O LYS A 61 -21.483 19.708 -8.338 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.758 18.222 -7.632 1.00 0.00 C ATOM 1057 CG LYS A 61 -18.244 16.824 -7.985 1.00 0.00 C ATOM 1058 CD LYS A 61 -19.138 15.777 -7.317 1.00 0.00 C ATOM 1059 CE LYS A 61 -18.452 14.411 -7.391 1.00 0.00 C ATOM 1060 NZ LYS A 61 -17.337 14.334 -6.406 1.00 0.00 N ATOM 0 H LYS A 61 -17.393 19.793 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.812 18.173 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.952 18.822 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -19.538 18.154 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.246 16.685 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.213 16.707 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.323 16.049 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.107 15.738 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.177 13.622 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.068 14.244 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.072 13.339 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.517 14.861 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.643 14.748 -5.502 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.812 21.171 -8.302 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.711 22.271 -7.899 1.00 0.00 C ATOM 1076 C GLU A 62 -21.444 22.820 -9.111 1.00 0.00 C ATOM 1077 O GLU A 62 -22.616 23.136 -9.044 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.850 23.384 -7.290 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.184 24.181 -8.412 1.00 0.00 C ATOM 1080 CD GLU A 62 -18.204 25.186 -7.806 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -17.417 24.746 -6.983 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -18.297 26.336 -8.202 1.00 0.00 O ATOM 0 H GLU A 62 -18.831 21.425 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.445 21.906 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.466 24.042 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.092 22.955 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.659 23.508 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.939 24.702 -9.001 1.00 0.00 H new