USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=10 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 18 GLN : amide:sc= -0.022 K(o=1.3,f=-4.6!) USER MOD Set 1.2: A 44 THR OG1 : rot 171:sc= 1.32 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -2.02 USER MOD Single : A 28 THR OG1 : rot 106:sc= 1.17 USER MOD Single : A 29 ASN : amide:sc= -0.769 K(o=-0.77,f=-8.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.519 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -136:sc= -3.43! USER MOD Single : A 43 THR OG1 : rot 87:sc= 0.218 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0337 F(o=-0.68,f=-0.034) USER MOD Single : A 47 SER OG : rot 180:sc= -0.671! USER MOD Single : A 50 GLN : amide:sc=-0.00535 K(o=-0.0053,f=-1.8) USER MOD Single : A 52 THR OG1 : rot -25:sc= -4.17! USER MOD Single : A 56 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.6!) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.277 F(o=-2.9!,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -10.568 15.769 5.404 1.00 0.00 N ATOM 289 CA GLN A 18 -10.227 15.774 3.978 1.00 0.00 C ATOM 290 C GLN A 18 -11.321 16.457 3.174 1.00 0.00 C ATOM 291 O GLN A 18 -11.111 17.508 2.595 1.00 0.00 O ATOM 292 CB GLN A 18 -10.114 14.316 3.531 1.00 0.00 C ATOM 293 CG GLN A 18 -9.637 14.272 2.092 1.00 0.00 C ATOM 294 CD GLN A 18 -9.919 12.888 1.511 1.00 0.00 C ATOM 295 OE1 GLN A 18 -11.052 12.455 1.434 1.00 0.00 O ATOM 296 NE2 GLN A 18 -8.920 12.162 1.093 1.00 0.00 N ATOM 0 HA GLN A 18 -9.293 16.313 3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.417 13.779 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.080 13.819 3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.145 15.037 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.570 14.489 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.967 12.521 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.091 11.235 0.703 1.00 0.00 H new ATOM 305 N LEU A 19 -12.480 15.854 3.157 1.00 0.00 N ATOM 306 CA LEU A 19 -13.595 16.462 2.393 1.00 0.00 C ATOM 307 C LEU A 19 -14.011 17.772 3.024 1.00 0.00 C ATOM 308 O LEU A 19 -14.726 18.555 2.429 1.00 0.00 O ATOM 309 CB LEU A 19 -14.792 15.501 2.413 1.00 0.00 C ATOM 310 CG LEU A 19 -14.803 14.675 1.122 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.301 15.545 -0.040 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.384 14.192 0.819 1.00 0.00 C ATOM 0 H LEU A 19 -12.696 14.979 3.634 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.268 16.646 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.729 14.842 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.722 16.062 2.507 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.465 13.818 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.308 14.957 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.311 15.896 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.638 16.401 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.388 13.604 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.725 15.052 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.026 13.575 1.643 1.00 0.00 H new ATOM 324 N LYS A 20 -13.557 17.993 4.221 1.00 0.00 N ATOM 325 CA LYS A 20 -13.914 19.243 4.906 1.00 0.00 C ATOM 326 C LYS A 20 -13.005 20.361 4.439 1.00 0.00 C ATOM 327 O LYS A 20 -13.458 21.438 4.132 1.00 0.00 O ATOM 328 CB LYS A 20 -13.735 19.040 6.419 1.00 0.00 C ATOM 329 CG LYS A 20 -14.226 20.280 7.164 1.00 0.00 C ATOM 330 CD LYS A 20 -14.204 19.992 8.669 1.00 0.00 C ATOM 331 CE LYS A 20 -15.348 19.034 9.015 1.00 0.00 C ATOM 332 NZ LYS A 20 -15.694 19.132 10.461 1.00 0.00 N ATOM 0 H LYS A 20 -12.956 17.359 4.748 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.947 19.506 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.292 18.162 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.686 18.856 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.590 21.135 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.235 20.538 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.248 19.553 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.309 20.920 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.223 19.270 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.059 18.011 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.471 18.476 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.862 18.885 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.990 20.104 10.682 1.00 0.00 H new ATOM 346 N GLU A 21 -11.728 20.083 4.366 1.00 0.00 N ATOM 347 CA GLU A 21 -10.799 21.143 3.916 1.00 0.00 C ATOM 348 C GLU A 21 -11.051 21.494 2.460 1.00 0.00 C ATOM 349 O GLU A 21 -10.714 22.571 2.011 1.00 0.00 O ATOM 350 CB GLU A 21 -9.352 20.640 4.060 1.00 0.00 C ATOM 351 CG GLU A 21 -8.707 21.305 5.279 1.00 0.00 C ATOM 352 CD GLU A 21 -9.671 21.236 6.463 1.00 0.00 C ATOM 353 OE1 GLU A 21 -9.739 20.165 7.044 1.00 0.00 O ATOM 354 OE2 GLU A 21 -10.286 22.257 6.721 1.00 0.00 O ATOM 0 H GLU A 21 -11.302 19.185 4.595 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.959 22.030 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.341 19.556 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.782 20.872 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.771 20.804 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.463 22.343 5.054 1.00 0.00 H new ATOM 361 N LEU A 22 -11.635 20.578 1.743 1.00 0.00 N ATOM 362 CA LEU A 22 -11.913 20.850 0.313 1.00 0.00 C ATOM 363 C LEU A 22 -13.134 21.764 0.168 1.00 0.00 C ATOM 364 O LEU A 22 -13.063 22.818 -0.435 1.00 0.00 O ATOM 365 CB LEU A 22 -12.225 19.498 -0.387 1.00 0.00 C ATOM 366 CG LEU A 22 -11.211 19.211 -1.520 1.00 0.00 C ATOM 367 CD1 LEU A 22 -10.995 20.469 -2.374 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.876 18.774 -0.912 1.00 0.00 C ATOM 0 H LEU A 22 -11.928 19.662 2.083 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.048 21.338 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.196 18.691 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.235 19.521 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.606 18.417 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.279 20.252 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.943 20.777 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.609 21.273 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.162 18.572 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.490 19.568 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.024 17.871 -0.320 1.00 0.00 H new ATOM 380 N GLU A 23 -14.226 21.345 0.748 1.00 0.00 N ATOM 381 CA GLU A 23 -15.474 22.157 0.663 1.00 0.00 C ATOM 382 C GLU A 23 -15.422 23.432 1.512 1.00 0.00 C ATOM 383 O GLU A 23 -16.146 24.370 1.247 1.00 0.00 O ATOM 384 CB GLU A 23 -16.638 21.294 1.170 1.00 0.00 C ATOM 385 CG GLU A 23 -16.866 20.130 0.202 1.00 0.00 C ATOM 386 CD GLU A 23 -18.203 20.327 -0.521 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.517 21.479 -0.773 1.00 0.00 O ATOM 388 OE2 GLU A 23 -18.832 19.314 -0.779 1.00 0.00 O ATOM 0 H GLU A 23 -14.308 20.476 1.277 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.598 22.460 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.416 20.914 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.543 21.896 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.052 20.079 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.869 19.185 0.746 1.00 0.00 H new ATOM 395 N ARG A 24 -14.577 23.458 2.508 1.00 0.00 N ATOM 396 CA ARG A 24 -14.508 24.687 3.354 1.00 0.00 C ATOM 397 C ARG A 24 -13.496 25.669 2.804 1.00 0.00 C ATOM 398 O ARG A 24 -13.794 26.836 2.640 1.00 0.00 O ATOM 399 CB ARG A 24 -14.092 24.293 4.796 1.00 0.00 C ATOM 400 CG ARG A 24 -15.220 23.493 5.526 1.00 0.00 C ATOM 401 CD ARG A 24 -16.559 23.589 4.774 1.00 0.00 C ATOM 402 NE ARG A 24 -17.058 24.995 4.847 1.00 0.00 N ATOM 403 CZ ARG A 24 -18.328 25.236 4.685 1.00 0.00 C ATOM 404 NH1 ARG A 24 -19.193 24.560 5.390 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.692 26.150 3.829 1.00 0.00 N ATOM 0 H ARG A 24 -13.945 22.701 2.769 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.490 25.159 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.184 23.691 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.857 25.192 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.926 22.447 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.342 23.877 6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.429 23.289 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.287 22.908 5.214 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.408 25.762 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.871 23.856 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.191 24.735 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.987 26.663 3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.682 26.352 3.689 1.00 0.00 H new ATOM 419 N GLU A 25 -12.325 25.198 2.522 1.00 0.00 N ATOM 420 CA GLU A 25 -11.306 26.117 1.983 1.00 0.00 C ATOM 421 C GLU A 25 -11.720 26.628 0.615 1.00 0.00 C ATOM 422 O GLU A 25 -11.242 27.649 0.164 1.00 0.00 O ATOM 423 CB GLU A 25 -9.977 25.366 1.857 1.00 0.00 C ATOM 424 CG GLU A 25 -9.669 24.666 3.183 1.00 0.00 C ATOM 425 CD GLU A 25 -9.023 25.669 4.144 1.00 0.00 C ATOM 426 OE1 GLU A 25 -7.940 26.120 3.808 1.00 0.00 O ATOM 427 OE2 GLU A 25 -9.648 25.926 5.159 1.00 0.00 O ATOM 0 H GLU A 25 -12.032 24.228 2.640 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.201 26.966 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.033 24.635 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.176 26.060 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.585 24.266 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.000 23.822 3.016 1.00 0.00 H new ATOM 434 N TYR A 26 -12.604 25.910 -0.029 1.00 0.00 N ATOM 435 CA TYR A 26 -13.048 26.358 -1.368 1.00 0.00 C ATOM 436 C TYR A 26 -14.256 27.264 -1.238 1.00 0.00 C ATOM 437 O TYR A 26 -14.345 28.286 -1.890 1.00 0.00 O ATOM 438 CB TYR A 26 -13.434 25.128 -2.203 1.00 0.00 C ATOM 439 CG TYR A 26 -13.600 25.545 -3.663 1.00 0.00 C ATOM 440 CD1 TYR A 26 -14.640 26.367 -4.048 1.00 0.00 C ATOM 441 CD2 TYR A 26 -12.698 25.121 -4.614 1.00 0.00 C ATOM 442 CE1 TYR A 26 -14.770 26.763 -5.363 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.828 25.515 -5.930 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.864 26.340 -6.315 1.00 0.00 C ATOM 445 OH TYR A 26 -13.986 26.745 -7.629 1.00 0.00 O ATOM 0 H TYR A 26 -13.028 25.048 0.313 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.238 26.905 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.666 24.359 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.362 24.695 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -15.358 26.703 -3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.882 24.474 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.587 27.409 -5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.113 25.175 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.126 27.091 -7.946 1.00 0.00 H new ATOM 455 N ALA A 27 -15.169 26.873 -0.397 1.00 0.00 N ATOM 456 CA ALA A 27 -16.377 27.698 -0.210 1.00 0.00 C ATOM 457 C ALA A 27 -16.069 28.905 0.662 1.00 0.00 C ATOM 458 O ALA A 27 -16.878 29.806 0.785 1.00 0.00 O ATOM 459 CB ALA A 27 -17.445 26.847 0.489 1.00 0.00 C ATOM 0 H ALA A 27 -15.126 26.022 0.163 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.728 28.043 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.346 27.442 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.680 25.979 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.069 26.514 1.456 1.00 0.00 H new ATOM 465 N THR A 28 -14.901 28.911 1.254 1.00 0.00 N ATOM 466 CA THR A 28 -14.539 30.055 2.116 1.00 0.00 C ATOM 467 C THR A 28 -14.166 31.258 1.273 1.00 0.00 C ATOM 468 O THR A 28 -14.518 32.376 1.595 1.00 0.00 O ATOM 469 CB THR A 28 -13.337 29.659 2.976 1.00 0.00 C ATOM 470 OG1 THR A 28 -13.878 28.932 4.061 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.700 30.897 3.620 1.00 0.00 C ATOM 0 H THR A 28 -14.196 28.178 1.174 1.00 0.00 H new ATOM 0 HA THR A 28 -15.392 30.315 2.743 1.00 0.00 H new ATOM 0 HB THR A 28 -12.606 29.124 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.690 27.978 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.847 30.593 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.365 31.581 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.435 31.398 4.251 1.00 0.00 H new ATOM 479 N ASN A 29 -13.453 31.012 0.210 1.00 0.00 N ATOM 480 CA ASN A 29 -13.048 32.136 -0.668 1.00 0.00 C ATOM 481 C ASN A 29 -13.063 31.709 -2.130 1.00 0.00 C ATOM 482 O ASN A 29 -14.025 31.935 -2.835 1.00 0.00 O ATOM 483 CB ASN A 29 -11.619 32.561 -0.288 1.00 0.00 C ATOM 484 CG ASN A 29 -10.827 31.333 0.165 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.627 30.398 -0.583 1.00 0.00 O ATOM 486 ND2 ASN A 29 -10.362 31.296 1.382 1.00 0.00 N ATOM 0 H ASN A 29 -13.137 30.088 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.748 32.962 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.128 33.030 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.649 33.303 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.833 30.484 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.527 32.079 2.015 1.00 0.00 H new ATOM 493 N LYS A 30 -12.000 31.093 -2.549 1.00 0.00 N ATOM 494 CA LYS A 30 -11.914 30.635 -3.956 1.00 0.00 C ATOM 495 C LYS A 30 -10.792 29.638 -4.072 1.00 0.00 C ATOM 496 O LYS A 30 -10.950 28.569 -4.630 1.00 0.00 O ATOM 497 CB LYS A 30 -11.596 31.844 -4.860 1.00 0.00 C ATOM 498 CG LYS A 30 -12.901 32.522 -5.306 1.00 0.00 C ATOM 499 CD LYS A 30 -12.677 33.196 -6.662 1.00 0.00 C ATOM 500 CE LYS A 30 -11.400 34.035 -6.604 1.00 0.00 C ATOM 501 NZ LYS A 30 -11.379 35.022 -7.714 1.00 0.00 N ATOM 0 H LYS A 30 -11.183 30.886 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.857 30.180 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.971 32.557 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.029 31.518 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.701 31.786 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.213 33.259 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.596 32.443 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.530 33.827 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.341 34.553 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.527 33.386 -6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.506 35.585 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.414 34.521 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.202 35.652 -7.634 1.00 0.00 H new ATOM 515 N PHE A 31 -9.669 30.011 -3.540 1.00 0.00 N ATOM 516 CA PHE A 31 -8.517 29.123 -3.589 1.00 0.00 C ATOM 517 C PHE A 31 -7.646 29.369 -2.397 1.00 0.00 C ATOM 518 O PHE A 31 -7.748 30.401 -1.762 1.00 0.00 O ATOM 519 CB PHE A 31 -7.716 29.344 -4.876 1.00 0.00 C ATOM 520 CG PHE A 31 -7.385 27.967 -5.418 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.397 27.209 -4.818 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.151 27.402 -6.418 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.191 25.909 -5.200 1.00 0.00 C ATOM 524 CE2 PHE A 31 -7.941 26.099 -6.798 1.00 0.00 C ATOM 525 CZ PHE A 31 -6.962 25.356 -6.186 1.00 0.00 C ATOM 0 H PHE A 31 -9.512 30.904 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.869 28.091 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.295 29.917 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.807 29.911 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.783 27.644 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.918 27.987 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.421 25.321 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.545 25.659 -7.578 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.800 24.331 -6.484 1.00 0.00 H new ATOM 535 N ILE A 32 -6.804 28.424 -2.107 1.00 0.00 N ATOM 536 CA ILE A 32 -5.912 28.573 -0.949 1.00 0.00 C ATOM 537 C ILE A 32 -4.464 28.787 -1.371 1.00 0.00 C ATOM 538 O ILE A 32 -4.081 28.501 -2.489 1.00 0.00 O ATOM 539 CB ILE A 32 -6.055 27.313 -0.091 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.940 26.285 -0.804 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.759 27.715 1.222 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.169 25.676 -1.980 1.00 0.00 C ATOM 0 H ILE A 32 -6.700 27.554 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.194 29.458 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.071 26.881 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.240 25.502 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.853 26.761 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.876 26.836 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.159 28.461 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.740 28.132 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.798 24.945 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.891 26.464 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.269 25.186 -1.610 1.00 0.00 H new ATOM 554 N THR A 33 -3.694 29.294 -0.452 1.00 0.00 N ATOM 555 CA THR A 33 -2.261 29.561 -0.730 1.00 0.00 C ATOM 556 C THR A 33 -1.457 28.289 -0.873 1.00 0.00 C ATOM 557 O THR A 33 -1.860 27.237 -0.424 1.00 0.00 O ATOM 558 CB THR A 33 -1.698 30.365 0.441 1.00 0.00 C ATOM 559 OG1 THR A 33 -1.452 29.416 1.461 1.00 0.00 O ATOM 560 CG2 THR A 33 -2.768 31.294 1.027 1.00 0.00 C ATOM 0 H THR A 33 -4.001 29.537 0.490 1.00 0.00 H new ATOM 0 HA THR A 33 -2.189 30.104 -1.672 1.00 0.00 H new ATOM 0 HB THR A 33 -0.831 30.939 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.085 29.870 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.345 31.857 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.110 31.986 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.611 30.700 1.381 1.00 0.00 H new ATOM 568 N LYS A 34 -0.315 28.421 -1.494 1.00 0.00 N ATOM 569 CA LYS A 34 0.555 27.245 -1.694 1.00 0.00 C ATOM 570 C LYS A 34 0.712 26.456 -0.403 1.00 0.00 C ATOM 571 O LYS A 34 0.754 25.242 -0.413 1.00 0.00 O ATOM 572 CB LYS A 34 1.937 27.740 -2.145 1.00 0.00 C ATOM 573 CG LYS A 34 1.935 27.935 -3.667 1.00 0.00 C ATOM 574 CD LYS A 34 0.887 29.008 -4.046 1.00 0.00 C ATOM 575 CE LYS A 34 -0.470 28.346 -4.381 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.029 28.922 -5.636 1.00 0.00 N ATOM 0 H LYS A 34 0.046 29.298 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 34 0.106 26.594 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.180 28.679 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.704 27.020 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.924 28.241 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.704 26.993 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.762 29.710 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.239 29.582 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.340 27.270 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.170 28.499 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.940 28.469 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.171 29.945 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.367 28.754 -6.420 1.00 0.00 H new ATOM 590 N ASP A 35 0.801 27.155 0.687 1.00 0.00 N ATOM 591 CA ASP A 35 0.952 26.455 1.979 1.00 0.00 C ATOM 592 C ASP A 35 -0.378 25.870 2.418 1.00 0.00 C ATOM 593 O ASP A 35 -0.430 24.823 3.035 1.00 0.00 O ATOM 594 CB ASP A 35 1.423 27.472 3.026 1.00 0.00 C ATOM 595 CG ASP A 35 2.933 27.676 2.885 1.00 0.00 C ATOM 596 OD1 ASP A 35 3.639 26.746 3.236 1.00 0.00 O ATOM 597 OD2 ASP A 35 3.294 28.750 2.430 1.00 0.00 O ATOM 0 H ASP A 35 0.776 28.173 0.737 1.00 0.00 H new ATOM 0 HA ASP A 35 1.675 25.646 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.902 28.420 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.184 27.117 4.029 1.00 0.00 H new ATOM 602 N LYS A 36 -1.435 26.556 2.084 1.00 0.00 N ATOM 603 CA LYS A 36 -2.767 26.059 2.469 1.00 0.00 C ATOM 604 C LYS A 36 -3.173 24.884 1.595 1.00 0.00 C ATOM 605 O LYS A 36 -3.702 23.911 2.081 1.00 0.00 O ATOM 606 CB LYS A 36 -3.775 27.194 2.305 1.00 0.00 C ATOM 607 CG LYS A 36 -3.656 28.134 3.505 1.00 0.00 C ATOM 608 CD LYS A 36 -4.507 27.594 4.658 1.00 0.00 C ATOM 609 CE LYS A 36 -5.748 28.476 4.819 1.00 0.00 C ATOM 610 NZ LYS A 36 -6.505 28.098 6.047 1.00 0.00 N ATOM 0 H LYS A 36 -1.426 27.433 1.564 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.742 25.721 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.585 27.737 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.787 26.794 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.614 28.217 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.988 29.136 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.801 26.564 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.928 27.587 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.451 29.523 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.390 28.374 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.343 28.707 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.805 27.105 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.896 28.219 6.881 1.00 0.00 H new ATOM 624 N ARG A 37 -2.924 24.979 0.314 1.00 0.00 N ATOM 625 CA ARG A 37 -3.306 23.848 -0.552 1.00 0.00 C ATOM 626 C ARG A 37 -2.442 22.668 -0.196 1.00 0.00 C ATOM 627 O ARG A 37 -2.821 21.531 -0.383 1.00 0.00 O ATOM 628 CB ARG A 37 -3.063 24.223 -2.015 1.00 0.00 C ATOM 629 CG ARG A 37 -1.588 24.490 -2.206 1.00 0.00 C ATOM 630 CD ARG A 37 -1.339 24.928 -3.648 1.00 0.00 C ATOM 631 NE ARG A 37 -1.926 23.928 -4.581 1.00 0.00 N ATOM 632 CZ ARG A 37 -2.126 24.265 -5.828 1.00 0.00 C ATOM 633 NH1 ARG A 37 -3.027 25.170 -6.099 1.00 0.00 N ATOM 634 NH2 ARG A 37 -1.417 23.689 -6.762 1.00 0.00 N ATOM 0 H ARG A 37 -2.484 25.773 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.359 23.606 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.389 23.416 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.645 25.106 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.254 25.264 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.012 23.592 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.783 25.908 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.269 25.026 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.169 22.993 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.560 25.601 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.198 25.446 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.720 22.987 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.561 23.941 -7.740 1.00 0.00 H new ATOM 648 N ARG A 38 -1.275 22.967 0.322 1.00 0.00 N ATOM 649 CA ARG A 38 -0.361 21.886 0.705 1.00 0.00 C ATOM 650 C ARG A 38 -0.841 21.246 1.988 1.00 0.00 C ATOM 651 O ARG A 38 -0.591 20.083 2.234 1.00 0.00 O ATOM 652 CB ARG A 38 1.044 22.462 0.926 1.00 0.00 C ATOM 653 CG ARG A 38 2.020 21.305 1.163 1.00 0.00 C ATOM 654 CD ARG A 38 3.444 21.856 1.245 1.00 0.00 C ATOM 655 NE ARG A 38 4.030 21.888 -0.123 1.00 0.00 N ATOM 656 CZ ARG A 38 4.306 23.036 -0.673 1.00 0.00 C ATOM 657 NH1 ARG A 38 4.876 23.962 0.049 1.00 0.00 N ATOM 658 NH2 ARG A 38 4.001 23.223 -1.928 1.00 0.00 N ATOM 0 H ARG A 38 -0.932 23.913 0.489 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.334 21.139 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.354 23.045 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.045 23.138 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.766 20.783 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.945 20.579 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.436 22.858 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.052 21.233 1.901 1.00 0.00 H new ATOM 0 HE ARG A 38 4.214 21.019 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.098 23.781 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.099 24.867 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.554 22.477 -2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.209 24.115 -2.376 1.00 0.00 H new ATOM 672 N ARG A 39 -1.531 22.016 2.801 1.00 0.00 N ATOM 673 CA ARG A 39 -2.022 21.439 4.061 1.00 0.00 C ATOM 674 C ARG A 39 -3.012 20.377 3.694 1.00 0.00 C ATOM 675 O ARG A 39 -3.034 19.307 4.266 1.00 0.00 O ATOM 676 CB ARG A 39 -2.714 22.531 4.899 1.00 0.00 C ATOM 677 CG ARG A 39 -1.659 23.275 5.723 1.00 0.00 C ATOM 678 CD ARG A 39 -2.331 24.428 6.474 1.00 0.00 C ATOM 679 NE ARG A 39 -2.352 24.117 7.934 1.00 0.00 N ATOM 680 CZ ARG A 39 -3.205 24.731 8.709 1.00 0.00 C ATOM 681 NH1 ARG A 39 -4.421 24.930 8.278 1.00 0.00 N ATOM 682 NH2 ARG A 39 -2.814 25.130 9.888 1.00 0.00 N ATOM 0 H ARG A 39 -1.763 22.996 2.638 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.203 21.025 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.242 23.227 4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.459 22.084 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.183 22.593 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.874 23.658 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.791 25.358 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.347 24.574 6.107 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.705 23.431 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.692 24.608 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.100 25.408 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.855 24.961 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.467 25.611 10.506 1.00 0.00 H new ATOM 696 N ILE A 40 -3.824 20.699 2.723 1.00 0.00 N ATOM 697 CA ILE A 40 -4.824 19.734 2.280 1.00 0.00 C ATOM 698 C ILE A 40 -4.088 18.500 1.809 1.00 0.00 C ATOM 699 O ILE A 40 -4.151 17.464 2.425 1.00 0.00 O ATOM 700 CB ILE A 40 -5.587 20.335 1.112 1.00 0.00 C ATOM 701 CG1 ILE A 40 -6.131 21.705 1.499 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.761 19.424 0.784 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.573 22.459 0.237 1.00 0.00 C ATOM 0 H ILE A 40 -3.825 21.591 2.229 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.517 19.485 3.083 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.922 20.436 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.973 21.593 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.366 22.275 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.321 19.840 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.390 18.434 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.414 19.344 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.962 23.438 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.720 22.584 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.352 21.891 -0.272 1.00 0.00 H new ATOM 715 N SER A 41 -3.412 18.632 0.698 1.00 0.00 N ATOM 716 CA SER A 41 -2.660 17.478 0.178 1.00 0.00 C ATOM 717 C SER A 41 -1.880 16.796 1.295 1.00 0.00 C ATOM 718 O SER A 41 -1.760 15.587 1.324 1.00 0.00 O ATOM 719 CB SER A 41 -1.655 17.980 -0.876 1.00 0.00 C ATOM 720 OG SER A 41 -1.934 19.362 -0.993 1.00 0.00 O ATOM 0 H SER A 41 -3.354 19.484 0.141 1.00 0.00 H new ATOM 0 HA SER A 41 -3.363 16.766 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.626 17.807 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.786 17.465 -1.828 1.00 0.00 H new ATOM 0 HG SER A 41 -1.941 19.615 -1.940 1.00 0.00 H new ATOM 726 N ALA A 42 -1.360 17.584 2.196 1.00 0.00 N ATOM 727 CA ALA A 42 -0.588 16.999 3.315 1.00 0.00 C ATOM 728 C ALA A 42 -1.532 16.347 4.291 1.00 0.00 C ATOM 729 O ALA A 42 -1.149 15.498 5.074 1.00 0.00 O ATOM 730 CB ALA A 42 0.166 18.130 4.032 1.00 0.00 C ATOM 0 H ALA A 42 -1.438 18.601 2.202 1.00 0.00 H new ATOM 0 HA ALA A 42 0.112 16.256 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.741 17.716 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.842 18.619 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.549 18.858 4.415 1.00 0.00 H new ATOM 736 N THR A 43 -2.756 16.763 4.224 1.00 0.00 N ATOM 737 CA THR A 43 -3.772 16.202 5.125 1.00 0.00 C ATOM 738 C THR A 43 -4.450 15.027 4.456 1.00 0.00 C ATOM 739 O THR A 43 -4.790 14.052 5.098 1.00 0.00 O ATOM 740 CB THR A 43 -4.812 17.288 5.422 1.00 0.00 C ATOM 741 OG1 THR A 43 -4.303 17.999 6.530 1.00 0.00 O ATOM 742 CG2 THR A 43 -6.121 16.674 5.926 1.00 0.00 C ATOM 0 H THR A 43 -3.095 17.474 3.576 1.00 0.00 H new ATOM 0 HA THR A 43 -3.305 15.865 6.050 1.00 0.00 H new ATOM 0 HB THR A 43 -4.992 17.879 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.704 18.709 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.841 17.467 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.524 16.003 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.931 16.114 6.841 1.00 0.00 H new ATOM 750 N THR A 44 -4.639 15.137 3.163 1.00 0.00 N ATOM 751 CA THR A 44 -5.291 14.033 2.446 1.00 0.00 C ATOM 752 C THR A 44 -4.264 12.946 2.084 1.00 0.00 C ATOM 753 O THR A 44 -4.629 11.834 1.764 1.00 0.00 O ATOM 754 CB THR A 44 -5.991 14.597 1.214 1.00 0.00 C ATOM 755 OG1 THR A 44 -6.660 13.509 0.619 1.00 0.00 O ATOM 756 CG2 THR A 44 -5.034 15.071 0.178 1.00 0.00 C ATOM 0 H THR A 44 -4.369 15.938 2.592 1.00 0.00 H new ATOM 0 HA THR A 44 -6.038 13.558 3.082 1.00 0.00 H new ATOM 0 HB THR A 44 -6.624 15.427 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.249 13.837 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.587 15.462 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.406 15.858 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.407 14.240 -0.145 1.00 0.00 H new ATOM 764 N ASN A 45 -2.993 13.312 2.127 1.00 0.00 N ATOM 765 CA ASN A 45 -1.893 12.326 1.805 1.00 0.00 C ATOM 766 C ASN A 45 -1.565 12.103 0.309 1.00 0.00 C ATOM 767 O ASN A 45 -1.370 10.973 -0.093 1.00 0.00 O ATOM 768 CB ASN A 45 -2.289 10.971 2.415 1.00 0.00 C ATOM 769 CG ASN A 45 -1.032 10.242 2.904 1.00 0.00 C ATOM 770 OD1 ASN A 45 0.038 10.244 2.155 1.00 0.00 O flip ATOM 771 ND2 ASN A 45 -1.014 9.664 3.973 1.00 0.00 N flip ATOM 0 H ASN A 45 -2.671 14.249 2.371 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.987 12.763 2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.980 11.122 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.808 10.364 1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.846 9.658 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.167 9.185 4.280 1.00 0.00 H new ATOM 778 N LEU A 46 -1.510 13.152 -0.493 1.00 0.00 N ATOM 779 CA LEU A 46 -1.174 12.913 -1.960 1.00 0.00 C ATOM 780 C LEU A 46 -0.189 13.974 -2.460 1.00 0.00 C ATOM 781 O LEU A 46 0.577 14.511 -1.685 1.00 0.00 O ATOM 782 CB LEU A 46 -2.460 12.912 -2.824 1.00 0.00 C ATOM 783 CG LEU A 46 -3.489 13.782 -2.182 1.00 0.00 C ATOM 784 CD1 LEU A 46 -3.022 15.228 -2.273 1.00 0.00 C ATOM 785 CD2 LEU A 46 -4.828 13.618 -2.918 1.00 0.00 C ATOM 0 H LEU A 46 -1.673 14.121 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.704 11.934 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.237 13.274 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.841 11.896 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.624 13.501 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.762 15.879 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.068 15.336 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.900 15.506 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.580 14.253 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.707 13.907 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.147 12.577 -2.865 1.00 0.00 H new ATOM 797 N SER A 47 -0.217 14.267 -3.732 1.00 0.00 N ATOM 798 CA SER A 47 0.711 15.272 -4.250 1.00 0.00 C ATOM 799 C SER A 47 0.266 16.646 -3.867 1.00 0.00 C ATOM 800 O SER A 47 0.322 17.032 -2.718 1.00 0.00 O ATOM 801 CB SER A 47 0.723 15.161 -5.785 1.00 0.00 C ATOM 802 OG SER A 47 1.420 16.319 -6.216 1.00 0.00 O ATOM 0 H SER A 47 -0.844 13.849 -4.419 1.00 0.00 H new ATOM 0 HA SER A 47 1.704 15.100 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.224 14.250 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.289 15.132 -6.189 1.00 0.00 H new ATOM 0 HG SER A 47 1.473 16.323 -7.195 1.00 0.00 H new ATOM 808 N GLU A 48 -0.182 17.343 -4.831 1.00 0.00 N ATOM 809 CA GLU A 48 -0.647 18.692 -4.606 1.00 0.00 C ATOM 810 C GLU A 48 -1.458 19.072 -5.802 1.00 0.00 C ATOM 811 O GLU A 48 -2.595 19.485 -5.677 1.00 0.00 O ATOM 812 CB GLU A 48 0.571 19.597 -4.470 1.00 0.00 C ATOM 813 CG GLU A 48 1.057 19.583 -3.006 1.00 0.00 C ATOM 814 CD GLU A 48 1.675 20.940 -2.665 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.861 21.074 -2.921 1.00 0.00 O ATOM 816 OE2 GLU A 48 0.928 21.765 -2.165 1.00 0.00 O ATOM 0 H GLU A 48 -0.246 17.021 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.250 18.781 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.367 19.257 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.318 20.614 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.223 19.372 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.791 18.790 -2.862 1.00 0.00 H new ATOM 823 N ARG A 49 -0.864 18.937 -6.968 1.00 0.00 N ATOM 824 CA ARG A 49 -1.615 19.280 -8.159 1.00 0.00 C ATOM 825 C ARG A 49 -2.902 18.515 -8.057 1.00 0.00 C ATOM 826 O ARG A 49 -3.901 18.872 -8.637 1.00 0.00 O ATOM 827 CB ARG A 49 -0.840 18.835 -9.415 1.00 0.00 C ATOM 828 CG ARG A 49 -1.408 19.571 -10.641 1.00 0.00 C ATOM 829 CD ARG A 49 -0.263 19.938 -11.591 1.00 0.00 C ATOM 830 NE ARG A 49 0.552 21.026 -10.975 1.00 0.00 N ATOM 831 CZ ARG A 49 0.171 22.272 -11.103 1.00 0.00 C ATOM 832 NH1 ARG A 49 -1.083 22.528 -11.369 1.00 0.00 N ATOM 833 NH2 ARG A 49 1.057 23.220 -10.963 1.00 0.00 N ATOM 0 H ARG A 49 0.090 18.609 -7.117 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.784 20.354 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.221 19.057 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.928 17.757 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.133 18.939 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.936 20.471 -10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.360 19.065 -11.784 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.661 20.264 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 49 1.401 20.800 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.749 21.762 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.396 23.493 -11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.028 22.984 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.779 24.197 -11.059 1.00 0.00 H new ATOM 847 N GLN A 50 -2.836 17.433 -7.289 1.00 0.00 N ATOM 848 CA GLN A 50 -4.025 16.602 -7.100 1.00 0.00 C ATOM 849 C GLN A 50 -5.055 17.463 -6.422 1.00 0.00 C ATOM 850 O GLN A 50 -6.210 17.475 -6.793 1.00 0.00 O ATOM 851 CB GLN A 50 -3.663 15.418 -6.187 1.00 0.00 C ATOM 852 CG GLN A 50 -2.932 14.355 -7.014 1.00 0.00 C ATOM 853 CD GLN A 50 -3.955 13.390 -7.618 1.00 0.00 C ATOM 854 OE1 GLN A 50 -5.074 13.759 -7.912 1.00 0.00 O ATOM 855 NE2 GLN A 50 -3.612 12.147 -7.822 1.00 0.00 N ATOM 0 H GLN A 50 -2.000 17.115 -6.799 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.401 16.218 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.031 15.756 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.564 14.995 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.352 14.829 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.228 13.810 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.674 11.830 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.282 11.493 -8.226 1.00 0.00 H new ATOM 864 N VAL A 51 -4.616 18.171 -5.403 1.00 0.00 N ATOM 865 CA VAL A 51 -5.561 19.042 -4.699 1.00 0.00 C ATOM 866 C VAL A 51 -5.997 20.100 -5.680 1.00 0.00 C ATOM 867 O VAL A 51 -7.158 20.361 -5.857 1.00 0.00 O ATOM 868 CB VAL A 51 -4.869 19.695 -3.508 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.898 20.507 -2.708 1.00 0.00 C ATOM 870 CG2 VAL A 51 -4.304 18.593 -2.616 1.00 0.00 C ATOM 0 H VAL A 51 -3.660 18.172 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.416 18.476 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.071 20.353 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.408 20.976 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.330 21.277 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.688 19.845 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.804 19.041 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.116 17.953 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.588 17.998 -3.183 1.00 0.00 H new ATOM 880 N THR A 52 -5.034 20.679 -6.331 1.00 0.00 N ATOM 881 CA THR A 52 -5.353 21.716 -7.311 1.00 0.00 C ATOM 882 C THR A 52 -6.411 21.167 -8.231 1.00 0.00 C ATOM 883 O THR A 52 -7.338 21.846 -8.629 1.00 0.00 O ATOM 884 CB THR A 52 -4.098 21.971 -8.119 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.043 21.932 -7.183 1.00 0.00 O ATOM 886 CG2 THR A 52 -4.053 23.390 -8.684 1.00 0.00 C ATOM 0 H THR A 52 -4.042 20.471 -6.219 1.00 0.00 H new ATOM 0 HA THR A 52 -5.701 22.631 -6.832 1.00 0.00 H new ATOM 0 HB THR A 52 -4.047 21.249 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.387 22.156 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.135 23.525 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.913 23.550 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.080 24.109 -7.865 1.00 0.00 H new ATOM 894 N ILE A 53 -6.232 19.917 -8.545 1.00 0.00 N ATOM 895 CA ILE A 53 -7.170 19.228 -9.428 1.00 0.00 C ATOM 896 C ILE A 53 -8.437 18.942 -8.650 1.00 0.00 C ATOM 897 O ILE A 53 -9.509 18.840 -9.205 1.00 0.00 O ATOM 898 CB ILE A 53 -6.503 17.909 -9.859 1.00 0.00 C ATOM 899 CG1 ILE A 53 -5.728 18.080 -11.171 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.584 16.846 -10.073 1.00 0.00 C ATOM 901 CD1 ILE A 53 -5.236 19.527 -11.340 1.00 0.00 C ATOM 0 H ILE A 53 -5.456 19.344 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.419 19.827 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.808 17.609 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.877 17.399 -11.185 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.367 17.809 -12.012 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.118 15.909 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.132 16.692 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.273 17.179 -10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.690 19.618 -12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.091 20.203 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.578 19.787 -10.511 1.00 0.00 H new ATOM 913 N TRP A 54 -8.278 18.828 -7.356 1.00 0.00 N ATOM 914 CA TRP A 54 -9.435 18.558 -6.494 1.00 0.00 C ATOM 915 C TRP A 54 -10.298 19.781 -6.493 1.00 0.00 C ATOM 916 O TRP A 54 -11.496 19.710 -6.649 1.00 0.00 O ATOM 917 CB TRP A 54 -8.902 18.299 -5.069 1.00 0.00 C ATOM 918 CG TRP A 54 -9.889 17.507 -4.231 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.178 17.384 -4.493 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.535 16.762 -3.212 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.600 16.489 -3.577 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.607 16.043 -2.724 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.279 16.630 -2.609 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.435 15.185 -1.660 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.119 15.771 -1.549 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.193 15.050 -1.075 1.00 0.00 C ATOM 0 H TRP A 54 -7.385 18.913 -6.870 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.009 17.699 -6.841 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.958 17.757 -5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.693 19.251 -4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.756 17.881 -5.258 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.567 16.169 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.439 17.201 -2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.273 14.618 -1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.149 15.661 -1.086 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.062 14.376 -0.241 1.00 0.00 H new ATOM 937 N PHE A 55 -9.661 20.908 -6.355 1.00 0.00 N ATOM 938 CA PHE A 55 -10.437 22.160 -6.345 1.00 0.00 C ATOM 939 C PHE A 55 -11.216 22.332 -7.647 1.00 0.00 C ATOM 940 O PHE A 55 -12.402 22.614 -7.633 1.00 0.00 O ATOM 941 CB PHE A 55 -9.462 23.316 -6.191 1.00 0.00 C ATOM 942 CG PHE A 55 -9.193 23.528 -4.707 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.692 22.497 -3.941 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.474 24.736 -4.105 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.474 22.666 -2.599 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.257 24.906 -2.756 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.756 23.869 -2.002 1.00 0.00 C ATOM 0 H PHE A 55 -8.651 21.009 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.151 22.135 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.532 23.100 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.876 24.222 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.469 21.547 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.866 25.552 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.080 21.851 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.480 25.854 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.585 24.002 -0.944 1.00 0.00 H new ATOM 957 N GLN A 56 -10.539 22.156 -8.747 1.00 0.00 N ATOM 958 CA GLN A 56 -11.220 22.306 -10.054 1.00 0.00 C ATOM 959 C GLN A 56 -12.358 21.309 -10.190 1.00 0.00 C ATOM 960 O GLN A 56 -13.396 21.620 -10.739 1.00 0.00 O ATOM 961 CB GLN A 56 -10.203 22.032 -11.157 1.00 0.00 C ATOM 962 CG GLN A 56 -9.242 23.220 -11.264 1.00 0.00 C ATOM 963 CD GLN A 56 -8.605 23.235 -12.656 1.00 0.00 C ATOM 964 OE1 GLN A 56 -9.219 22.867 -13.637 1.00 0.00 O ATOM 965 NE2 GLN A 56 -7.375 23.654 -12.787 1.00 0.00 N ATOM 0 H GLN A 56 -9.549 21.916 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.626 23.315 -10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.649 21.119 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.713 21.875 -12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.778 24.153 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.469 23.147 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.852 23.965 -11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.937 23.670 -13.708 1.00 0.00 H new ATOM 974 N ASN A 57 -12.148 20.121 -9.689 1.00 0.00 N ATOM 975 CA ASN A 57 -13.214 19.108 -9.788 1.00 0.00 C ATOM 976 C ASN A 57 -14.361 19.551 -8.944 1.00 0.00 C ATOM 977 O ASN A 57 -15.505 19.506 -9.349 1.00 0.00 O ATOM 978 CB ASN A 57 -12.687 17.768 -9.256 1.00 0.00 C ATOM 979 CG ASN A 57 -13.163 16.643 -10.176 1.00 0.00 C ATOM 980 OD1 ASN A 57 -14.404 16.639 -10.579 1.00 0.00 O flip ATOM 981 ND2 ASN A 57 -12.411 15.760 -10.536 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.292 19.819 -9.223 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.529 18.990 -10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.598 17.783 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.045 17.600 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.440 15.758 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.750 15.020 -11.150 1.00 0.00 H new ATOM 988 N ARG A 58 -14.034 19.982 -7.774 1.00 0.00 N ATOM 989 CA ARG A 58 -15.072 20.445 -6.869 1.00 0.00 C ATOM 990 C ARG A 58 -15.858 21.541 -7.558 1.00 0.00 C ATOM 991 O ARG A 58 -17.007 21.784 -7.245 1.00 0.00 O ATOM 992 CB ARG A 58 -14.378 21.022 -5.622 1.00 0.00 C ATOM 993 CG ARG A 58 -15.083 20.534 -4.345 1.00 0.00 C ATOM 994 CD ARG A 58 -16.236 21.481 -4.008 1.00 0.00 C ATOM 995 NE ARG A 58 -17.154 20.803 -3.048 1.00 0.00 N ATOM 996 CZ ARG A 58 -18.339 20.437 -3.448 1.00 0.00 C ATOM 997 NH1 ARG A 58 -19.294 21.325 -3.480 1.00 0.00 N ATOM 998 NH2 ARG A 58 -18.533 19.194 -3.796 1.00 0.00 N ATOM 0 H ARG A 58 -13.082 20.030 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.744 19.634 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.331 20.718 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.393 22.111 -5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.460 19.521 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.375 20.496 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.851 22.404 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.775 21.756 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.857 20.628 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.106 22.286 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.228 21.058 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.763 18.526 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.454 18.891 -4.111 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.229 22.170 -8.525 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.930 23.253 -9.245 1.00 0.00 C ATOM 1014 C ARG A 59 -16.687 22.659 -10.398 1.00 0.00 C ATOM 1015 O ARG A 59 -17.573 23.267 -10.952 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.894 24.255 -9.785 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.543 25.641 -9.867 1.00 0.00 C ATOM 1018 CD ARG A 59 -14.491 26.669 -10.287 1.00 0.00 C ATOM 1019 NE ARG A 59 -14.600 26.902 -11.754 1.00 0.00 N ATOM 1020 CZ ARG A 59 -13.526 26.852 -12.492 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -12.887 25.722 -12.598 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -13.129 27.937 -13.099 1.00 0.00 N ATOM 0 H ARG A 59 -14.277 21.976 -8.834 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.618 23.763 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.022 24.285 -9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.545 23.943 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.363 25.629 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.969 25.913 -8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.640 27.603 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.493 26.310 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.507 27.099 -12.178 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.229 24.895 -12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.045 25.664 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.656 28.803 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.291 27.918 -13.681 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.313 21.463 -10.732 1.00 0.00 N ATOM 1037 CA VAL A 60 -16.973 20.767 -11.842 1.00 0.00 C ATOM 1038 C VAL A 60 -18.161 19.954 -11.320 1.00 0.00 C ATOM 1039 O VAL A 60 -19.092 19.671 -12.046 1.00 0.00 O ATOM 1040 CB VAL A 60 -15.914 19.844 -12.481 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.223 18.372 -12.172 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -15.918 20.050 -13.999 1.00 0.00 C ATOM 0 H VAL A 60 -15.569 20.938 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.361 21.472 -12.578 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.936 20.092 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.465 17.737 -12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.220 18.218 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.203 18.114 -12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.172 19.400 -14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.903 19.807 -14.397 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.682 21.090 -14.226 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.083 19.572 -10.071 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.188 18.782 -9.475 1.00 0.00 C ATOM 1054 C LYS A 61 -20.201 19.710 -8.801 1.00 0.00 C ATOM 1055 O LYS A 61 -21.342 19.347 -8.605 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.595 17.834 -8.409 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.116 16.403 -8.635 1.00 0.00 C ATOM 1058 CD LYS A 61 -20.499 16.258 -7.988 1.00 0.00 C ATOM 1059 CE LYS A 61 -20.879 14.774 -7.939 1.00 0.00 C ATOM 1060 NZ LYS A 61 -21.856 14.518 -6.840 1.00 0.00 N ATOM 0 H LYS A 61 -17.304 19.774 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.691 18.216 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.506 17.847 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.869 18.177 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.177 16.190 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.423 15.680 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -20.489 16.677 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -21.241 16.817 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -21.310 14.472 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.985 14.169 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -22.102 13.508 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.432 14.787 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -22.716 15.080 -7.002 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.759 20.900 -8.465 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.673 21.863 -7.806 1.00 0.00 C ATOM 1076 C GLU A 62 -21.717 22.374 -8.783 1.00 0.00 C ATOM 1077 O GLU A 62 -22.817 22.719 -8.396 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.840 23.060 -7.307 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.360 22.785 -5.883 1.00 0.00 C ATOM 1080 CD GLU A 62 -20.206 23.596 -4.897 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -21.318 23.159 -4.652 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -19.691 24.605 -4.445 1.00 0.00 O ATOM 0 H GLU A 62 -18.809 21.236 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.180 21.363 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -18.987 23.223 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.440 23.970 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.440 21.721 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.308 23.053 -5.784 1.00 0.00 H new