USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 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 Single : A 18 GLN : amide:sc= 0.069 X(o=0.069,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= -0.692 (180deg=-1.06) USER MOD Single : A 26 TYR OH : rot 150:sc= -0.405 USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 29 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0191 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 130:sc= 1.86 USER MOD Single : A 43 THR OG1 : rot 105:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 45 ASN : amide:sc=-0.00978 X(o=-0.0098,f=-0.16) USER MOD Single : A 47 SER OG : rot 180:sc= -0.508! USER MOD Single : A 50 GLN :FLIP amide:sc= -0.244 F(o=-1.5!,f=-0.24) USER MOD Single : A 52 THR OG1 : rot -148:sc= -1.92 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -11.250 15.273 4.350 1.00 0.00 N ATOM 289 CA GLN A 18 -10.690 15.618 3.052 1.00 0.00 C ATOM 290 C GLN A 18 -11.688 16.445 2.263 1.00 0.00 C ATOM 291 O GLN A 18 -11.397 17.546 1.855 1.00 0.00 O ATOM 292 CB GLN A 18 -10.449 14.295 2.337 1.00 0.00 C ATOM 293 CG GLN A 18 -9.090 13.741 2.762 1.00 0.00 C ATOM 294 CD GLN A 18 -8.842 12.406 2.058 1.00 0.00 C ATOM 295 OE1 GLN A 18 -8.464 11.427 2.672 1.00 0.00 O ATOM 296 NE2 GLN A 18 -9.043 12.322 0.772 1.00 0.00 N ATOM 0 HA GLN A 18 -9.773 16.199 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.239 13.585 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.475 14.440 1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.301 14.450 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.062 13.605 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.360 13.139 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.883 11.439 0.287 1.00 0.00 H new ATOM 305 N LEU A 19 -12.864 15.900 2.083 1.00 0.00 N ATOM 306 CA LEU A 19 -13.902 16.633 1.325 1.00 0.00 C ATOM 307 C LEU A 19 -14.543 17.707 2.187 1.00 0.00 C ATOM 308 O LEU A 19 -15.232 18.576 1.688 1.00 0.00 O ATOM 309 CB LEU A 19 -14.977 15.624 0.901 1.00 0.00 C ATOM 310 CG LEU A 19 -14.300 14.432 0.217 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.318 13.703 -0.660 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.157 14.941 -0.659 1.00 0.00 C ATOM 0 H LEU A 19 -13.142 14.982 2.430 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.448 17.114 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.542 15.288 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.688 16.094 0.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.913 13.748 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.837 12.855 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.142 13.347 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.702 14.387 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.671 14.097 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.552 15.621 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.431 15.469 -0.040 1.00 0.00 H new ATOM 324 N LYS A 20 -14.305 17.633 3.466 1.00 0.00 N ATOM 325 CA LYS A 20 -14.897 18.647 4.365 1.00 0.00 C ATOM 326 C LYS A 20 -13.962 19.831 4.527 1.00 0.00 C ATOM 327 O LYS A 20 -14.402 20.961 4.590 1.00 0.00 O ATOM 328 CB LYS A 20 -15.139 18.016 5.747 1.00 0.00 C ATOM 329 CG LYS A 20 -15.671 19.088 6.700 1.00 0.00 C ATOM 330 CD LYS A 20 -15.912 18.463 8.076 1.00 0.00 C ATOM 331 CE LYS A 20 -16.525 19.517 9.005 1.00 0.00 C ATOM 332 NZ LYS A 20 -17.201 20.582 8.211 1.00 0.00 N ATOM 0 H LYS A 20 -13.732 16.921 3.919 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.836 18.992 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.853 17.196 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.212 17.594 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.957 19.908 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.598 19.510 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.579 17.606 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.974 18.095 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.242 19.045 9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.747 19.958 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.697 21.232 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.492 21.110 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.887 20.148 7.561 1.00 0.00 H new ATOM 346 N GLU A 21 -12.676 19.565 4.565 1.00 0.00 N ATOM 347 CA GLU A 21 -11.730 20.690 4.723 1.00 0.00 C ATOM 348 C GLU A 21 -11.499 21.305 3.377 1.00 0.00 C ATOM 349 O GLU A 21 -11.052 22.430 3.249 1.00 0.00 O ATOM 350 CB GLU A 21 -10.400 20.151 5.269 1.00 0.00 C ATOM 351 CG GLU A 21 -9.550 21.324 5.765 1.00 0.00 C ATOM 352 CD GLU A 21 -8.610 21.775 4.645 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.955 20.900 4.104 1.00 0.00 O ATOM 354 OE2 GLU A 21 -8.601 22.968 4.395 1.00 0.00 O ATOM 0 H GLU A 21 -12.259 18.637 4.494 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.133 21.433 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.584 19.450 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.868 19.604 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.192 22.150 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.974 21.026 6.641 1.00 0.00 H new ATOM 361 N LEU A 22 -11.829 20.540 2.396 1.00 0.00 N ATOM 362 CA LEU A 22 -11.668 20.986 1.017 1.00 0.00 C ATOM 363 C LEU A 22 -12.838 21.868 0.604 1.00 0.00 C ATOM 364 O LEU A 22 -12.650 22.956 0.097 1.00 0.00 O ATOM 365 CB LEU A 22 -11.643 19.720 0.166 1.00 0.00 C ATOM 366 CG LEU A 22 -11.765 20.052 -1.300 1.00 0.00 C ATOM 367 CD1 LEU A 22 -10.680 21.053 -1.704 1.00 0.00 C ATOM 368 CD2 LEU A 22 -11.573 18.760 -2.073 1.00 0.00 C ATOM 0 H LEU A 22 -12.213 19.601 2.501 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.758 21.573 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.715 19.176 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.460 19.062 0.463 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.738 20.495 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.777 21.286 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.792 21.966 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.697 20.620 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.655 18.960 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.587 18.349 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.339 18.043 -1.779 1.00 0.00 H new ATOM 380 N GLU A 23 -14.028 21.396 0.860 1.00 0.00 N ATOM 381 CA GLU A 23 -15.224 22.188 0.490 1.00 0.00 C ATOM 382 C GLU A 23 -15.378 23.393 1.405 1.00 0.00 C ATOM 383 O GLU A 23 -16.084 24.330 1.086 1.00 0.00 O ATOM 384 CB GLU A 23 -16.461 21.289 0.645 1.00 0.00 C ATOM 385 CG GLU A 23 -17.693 22.024 0.111 1.00 0.00 C ATOM 386 CD GLU A 23 -18.891 21.072 0.121 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.780 20.057 -0.545 1.00 0.00 O ATOM 388 OE2 GLU A 23 -19.849 21.414 0.794 1.00 0.00 O ATOM 0 H GLU A 23 -14.218 20.499 1.308 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.118 22.541 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.316 20.356 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.606 21.028 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.904 22.899 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.507 22.383 -0.901 1.00 0.00 H new ATOM 395 N ARG A 24 -14.714 23.354 2.529 1.00 0.00 N ATOM 396 CA ARG A 24 -14.819 24.494 3.468 1.00 0.00 C ATOM 397 C ARG A 24 -13.895 25.624 3.057 1.00 0.00 C ATOM 398 O ARG A 24 -14.336 26.735 2.842 1.00 0.00 O ATOM 399 CB ARG A 24 -14.423 24.015 4.873 1.00 0.00 C ATOM 400 CG ARG A 24 -15.682 23.584 5.650 1.00 0.00 C ATOM 401 CD ARG A 24 -16.679 22.894 4.705 1.00 0.00 C ATOM 402 NE ARG A 24 -17.690 23.891 4.245 1.00 0.00 N ATOM 403 CZ ARG A 24 -18.503 24.429 5.113 1.00 0.00 C ATOM 404 NH1 ARG A 24 -19.037 23.672 6.031 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.757 25.708 5.030 1.00 0.00 N ATOM 0 H ARG A 24 -14.111 22.588 2.830 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.845 24.862 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.726 23.180 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.909 24.813 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.406 22.906 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -16.149 24.454 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.154 22.470 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.172 22.068 5.218 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.745 24.150 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.817 22.676 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.675 24.075 6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.323 26.268 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.390 26.147 5.699 1.00 0.00 H new ATOM 419 N GLU A 25 -12.628 25.333 2.953 1.00 0.00 N ATOM 420 CA GLU A 25 -11.690 26.402 2.554 1.00 0.00 C ATOM 421 C GLU A 25 -12.055 26.944 1.182 1.00 0.00 C ATOM 422 O GLU A 25 -11.678 28.045 0.830 1.00 0.00 O ATOM 423 CB GLU A 25 -10.263 25.834 2.513 1.00 0.00 C ATOM 424 CG GLU A 25 -10.178 24.735 1.458 1.00 0.00 C ATOM 425 CD GLU A 25 -8.885 23.947 1.671 1.00 0.00 C ATOM 426 OE1 GLU A 25 -7.882 24.606 1.904 1.00 0.00 O ATOM 427 OE2 GLU A 25 -8.972 22.736 1.595 1.00 0.00 O ATOM 0 H GLU A 25 -12.213 24.417 3.125 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.749 27.213 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.552 26.627 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.992 25.435 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.040 24.073 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.195 25.169 0.458 1.00 0.00 H new ATOM 434 N TYR A 26 -12.791 26.165 0.424 1.00 0.00 N ATOM 435 CA TYR A 26 -13.178 26.645 -0.927 1.00 0.00 C ATOM 436 C TYR A 26 -14.347 27.610 -0.795 1.00 0.00 C ATOM 437 O TYR A 26 -14.370 28.667 -1.392 1.00 0.00 O ATOM 438 CB TYR A 26 -13.627 25.424 -1.767 1.00 0.00 C ATOM 439 CG TYR A 26 -13.525 25.698 -3.293 1.00 0.00 C ATOM 440 CD1 TYR A 26 -13.288 26.972 -3.807 1.00 0.00 C ATOM 441 CD2 TYR A 26 -13.679 24.651 -4.181 1.00 0.00 C ATOM 442 CE1 TYR A 26 -13.210 27.172 -5.171 1.00 0.00 C ATOM 443 CE2 TYR A 26 -13.599 24.860 -5.541 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.365 26.120 -6.046 1.00 0.00 C ATOM 445 OH TYR A 26 -13.289 26.325 -7.408 1.00 0.00 O ATOM 0 H TYR A 26 -13.131 25.238 0.681 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.338 27.148 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.011 24.562 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.655 25.167 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.165 27.808 -3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.864 23.656 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.025 28.164 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.721 24.027 -6.218 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.947 25.516 -7.842 1.00 0.00 H new ATOM 455 N ALA A 27 -15.293 27.228 0.013 1.00 0.00 N ATOM 456 CA ALA A 27 -16.471 28.093 0.212 1.00 0.00 C ATOM 457 C ALA A 27 -16.129 29.300 1.081 1.00 0.00 C ATOM 458 O ALA A 27 -16.910 30.224 1.199 1.00 0.00 O ATOM 459 CB ALA A 27 -17.558 27.270 0.916 1.00 0.00 C ATOM 0 H ALA A 27 -15.296 26.355 0.541 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.812 28.454 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.440 27.891 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.824 26.413 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.184 26.921 1.878 1.00 0.00 H new ATOM 465 N THR A 28 -14.965 29.273 1.675 1.00 0.00 N ATOM 466 CA THR A 28 -14.562 30.409 2.537 1.00 0.00 C ATOM 467 C THR A 28 -14.044 31.562 1.695 1.00 0.00 C ATOM 468 O THR A 28 -14.237 32.714 2.029 1.00 0.00 O ATOM 469 CB THR A 28 -13.445 29.941 3.473 1.00 0.00 C ATOM 470 OG1 THR A 28 -14.049 28.998 4.336 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.998 31.083 4.398 1.00 0.00 C ATOM 0 H THR A 28 -14.284 28.517 1.598 1.00 0.00 H new ATOM 0 HA THR A 28 -15.428 30.748 3.106 1.00 0.00 H new ATOM 0 HB THR A 28 -12.603 29.569 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.125 28.136 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.204 30.729 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.629 31.914 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.844 31.417 4.999 1.00 0.00 H new ATOM 479 N ASN A 29 -13.390 31.231 0.615 1.00 0.00 N ATOM 480 CA ASN A 29 -12.850 32.296 -0.264 1.00 0.00 C ATOM 481 C ASN A 29 -12.910 31.873 -1.725 1.00 0.00 C ATOM 482 O ASN A 29 -13.847 32.196 -2.429 1.00 0.00 O ATOM 483 CB ASN A 29 -11.385 32.546 0.123 1.00 0.00 C ATOM 484 CG ASN A 29 -11.305 32.900 1.612 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.644 32.235 2.385 1.00 0.00 O ATOM 486 ND2 ASN A 29 -11.964 33.937 2.054 1.00 0.00 N ATOM 0 H ASN A 29 -13.209 30.275 0.308 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.447 33.200 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.786 31.659 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.972 33.357 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.922 34.185 3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.521 34.500 1.411 1.00 0.00 H new ATOM 493 N LYS A 30 -11.909 31.157 -2.158 1.00 0.00 N ATOM 494 CA LYS A 30 -11.893 30.706 -3.569 1.00 0.00 C ATOM 495 C LYS A 30 -10.769 29.710 -3.778 1.00 0.00 C ATOM 496 O LYS A 30 -10.985 28.613 -4.251 1.00 0.00 O ATOM 497 CB LYS A 30 -11.662 31.927 -4.475 1.00 0.00 C ATOM 498 CG LYS A 30 -10.492 32.749 -3.934 1.00 0.00 C ATOM 499 CD LYS A 30 -10.499 34.124 -4.602 1.00 0.00 C ATOM 500 CE LYS A 30 -9.180 34.836 -4.299 1.00 0.00 C ATOM 501 NZ LYS A 30 -9.184 35.368 -2.907 1.00 0.00 N ATOM 0 H LYS A 30 -11.108 30.868 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.843 30.230 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.452 31.602 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.563 32.539 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.575 32.855 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.550 32.239 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.630 34.018 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.338 34.715 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.348 34.144 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.029 35.652 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.282 35.849 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.967 36.044 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.307 34.583 -2.236 1.00 0.00 H new ATOM 515 N PHE A 31 -9.582 30.110 -3.417 1.00 0.00 N ATOM 516 CA PHE A 31 -8.437 29.209 -3.580 1.00 0.00 C ATOM 517 C PHE A 31 -7.389 29.510 -2.537 1.00 0.00 C ATOM 518 O PHE A 31 -7.383 30.578 -1.956 1.00 0.00 O ATOM 519 CB PHE A 31 -7.833 29.364 -4.979 1.00 0.00 C ATOM 520 CG PHE A 31 -7.508 27.964 -5.482 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.428 27.272 -4.965 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.344 27.327 -6.377 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.197 25.970 -5.326 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.108 26.022 -6.738 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.035 25.344 -6.206 1.00 0.00 C ATOM 0 H PHE A 31 -9.368 31.024 -3.018 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.782 28.183 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.535 29.861 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.934 29.980 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.761 27.762 -4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.187 27.856 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.352 25.438 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.765 25.529 -7.439 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.855 24.316 -6.484 1.00 0.00 H new ATOM 535 N ILE A 32 -6.520 28.563 -2.322 1.00 0.00 N ATOM 536 CA ILE A 32 -5.455 28.751 -1.319 1.00 0.00 C ATOM 537 C ILE A 32 -4.066 28.836 -1.965 1.00 0.00 C ATOM 538 O ILE A 32 -3.866 28.419 -3.087 1.00 0.00 O ATOM 539 CB ILE A 32 -5.524 27.559 -0.357 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.537 26.525 -0.861 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.026 28.074 0.998 1.00 0.00 C ATOM 542 CD1 ILE A 32 -5.962 25.798 -2.080 1.00 0.00 C ATOM 0 H ILE A 32 -6.508 27.664 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.608 29.694 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.538 27.101 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.765 25.809 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.473 27.017 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.085 27.245 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.336 28.827 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.014 28.517 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.682 25.063 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.756 26.520 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.037 25.293 -1.800 1.00 0.00 H new ATOM 554 N THR A 33 -3.137 29.383 -1.228 1.00 0.00 N ATOM 555 CA THR A 33 -1.748 29.525 -1.753 1.00 0.00 C ATOM 556 C THR A 33 -1.016 28.188 -1.809 1.00 0.00 C ATOM 557 O THR A 33 -1.391 27.239 -1.153 1.00 0.00 O ATOM 558 CB THR A 33 -0.978 30.465 -0.818 1.00 0.00 C ATOM 559 OG1 THR A 33 -1.897 31.482 -0.473 1.00 0.00 O ATOM 560 CG2 THR A 33 0.140 31.196 -1.578 1.00 0.00 C ATOM 0 H THR A 33 -3.280 29.738 -0.283 1.00 0.00 H new ATOM 0 HA THR A 33 -1.804 29.918 -2.768 1.00 0.00 H new ATOM 0 HB THR A 33 -0.565 29.900 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.465 32.122 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.673 31.857 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.835 30.466 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.294 31.784 -2.387 1.00 0.00 H new ATOM 568 N LYS A 34 0.027 28.147 -2.603 1.00 0.00 N ATOM 569 CA LYS A 34 0.812 26.891 -2.732 1.00 0.00 C ATOM 570 C LYS A 34 1.127 26.299 -1.372 1.00 0.00 C ATOM 571 O LYS A 34 1.121 25.101 -1.203 1.00 0.00 O ATOM 572 CB LYS A 34 2.125 27.215 -3.457 1.00 0.00 C ATOM 573 CG LYS A 34 1.849 27.350 -4.960 1.00 0.00 C ATOM 574 CD LYS A 34 1.029 28.628 -5.211 1.00 0.00 C ATOM 575 CE LYS A 34 -0.478 28.301 -5.217 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.051 28.525 -6.575 1.00 0.00 N ATOM 0 H LYS A 34 0.364 28.930 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 34 0.226 26.162 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.551 28.140 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.857 26.428 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.788 27.392 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.305 26.478 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.245 29.365 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.316 29.072 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.633 27.265 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.995 28.926 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.067 28.301 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.919 29.520 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.568 27.911 -7.261 1.00 0.00 H new ATOM 590 N ASP A 35 1.408 27.139 -0.425 1.00 0.00 N ATOM 591 CA ASP A 35 1.720 26.613 0.919 1.00 0.00 C ATOM 592 C ASP A 35 0.442 26.148 1.595 1.00 0.00 C ATOM 593 O ASP A 35 0.444 25.219 2.381 1.00 0.00 O ATOM 594 CB ASP A 35 2.347 27.741 1.755 1.00 0.00 C ATOM 595 CG ASP A 35 3.068 28.719 0.826 1.00 0.00 C ATOM 596 OD1 ASP A 35 4.175 28.380 0.441 1.00 0.00 O ATOM 597 OD2 ASP A 35 2.472 29.747 0.556 1.00 0.00 O ATOM 0 H ASP A 35 1.435 28.154 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 35 2.411 25.774 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.575 28.262 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.048 27.326 2.479 1.00 0.00 H new ATOM 602 N LYS A 36 -0.638 26.794 1.254 1.00 0.00 N ATOM 603 CA LYS A 36 -1.930 26.417 1.856 1.00 0.00 C ATOM 604 C LYS A 36 -2.520 25.197 1.163 1.00 0.00 C ATOM 605 O LYS A 36 -2.986 24.284 1.812 1.00 0.00 O ATOM 606 CB LYS A 36 -2.887 27.608 1.725 1.00 0.00 C ATOM 607 CG LYS A 36 -2.483 28.671 2.756 1.00 0.00 C ATOM 608 CD LYS A 36 -3.442 29.861 2.672 1.00 0.00 C ATOM 609 CE LYS A 36 -2.820 31.063 3.387 1.00 0.00 C ATOM 610 NZ LYS A 36 -3.666 32.275 3.203 1.00 0.00 N ATOM 0 H LYS A 36 -0.674 27.564 0.586 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.780 26.162 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.842 28.021 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.915 27.288 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.504 28.245 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.461 29.001 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.643 30.108 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.398 29.606 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.712 30.846 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.819 31.248 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.229 33.081 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.748 32.491 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.613 32.101 3.597 1.00 0.00 H new ATOM 624 N ARG A 37 -2.484 25.185 -0.142 1.00 0.00 N ATOM 625 CA ARG A 37 -3.045 24.015 -0.845 1.00 0.00 C ATOM 626 C ARG A 37 -2.180 22.812 -0.546 1.00 0.00 C ATOM 627 O ARG A 37 -2.623 21.677 -0.596 1.00 0.00 O ATOM 628 CB ARG A 37 -3.049 24.291 -2.358 1.00 0.00 C ATOM 629 CG ARG A 37 -1.628 24.203 -2.891 1.00 0.00 C ATOM 630 CD ARG A 37 -1.382 22.796 -3.431 1.00 0.00 C ATOM 631 NE ARG A 37 -1.713 22.773 -4.883 1.00 0.00 N ATOM 632 CZ ARG A 37 -0.980 23.458 -5.717 1.00 0.00 C ATOM 633 NH1 ARG A 37 0.265 23.107 -5.897 1.00 0.00 N ATOM 634 NH2 ARG A 37 -1.514 24.470 -6.342 1.00 0.00 N ATOM 0 H ARG A 37 -2.098 25.921 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.066 23.825 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.686 23.569 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.463 25.279 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.476 24.940 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.915 24.432 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.342 22.509 -3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.995 22.073 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.505 22.227 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.649 22.310 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.854 23.630 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.490 24.715 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.956 25.017 -6.998 1.00 0.00 H new ATOM 648 N ARG A 38 -0.952 23.091 -0.235 1.00 0.00 N ATOM 649 CA ARG A 38 -0.017 22.008 0.081 1.00 0.00 C ATOM 650 C ARG A 38 -0.302 21.506 1.480 1.00 0.00 C ATOM 651 O ARG A 38 -0.082 20.351 1.793 1.00 0.00 O ATOM 652 CB ARG A 38 1.414 22.563 0.025 1.00 0.00 C ATOM 653 CG ARG A 38 2.390 21.497 0.520 1.00 0.00 C ATOM 654 CD ARG A 38 3.785 21.807 -0.029 1.00 0.00 C ATOM 655 NE ARG A 38 4.791 21.571 1.042 1.00 0.00 N ATOM 656 CZ ARG A 38 5.984 21.157 0.718 1.00 0.00 C ATOM 657 NH1 ARG A 38 6.536 21.619 -0.370 1.00 0.00 N ATOM 658 NH2 ARG A 38 6.585 20.292 1.489 1.00 0.00 N ATOM 0 H ARG A 38 -0.561 24.032 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.129 21.192 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.663 22.855 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.493 23.459 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.409 21.481 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.067 20.509 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.999 21.176 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.834 22.841 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 38 4.549 21.732 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.035 22.292 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.469 21.307 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.121 19.950 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.519 19.958 1.250 1.00 0.00 H new ATOM 672 N ARG A 39 -0.802 22.396 2.310 1.00 0.00 N ATOM 673 CA ARG A 39 -1.110 21.991 3.689 1.00 0.00 C ATOM 674 C ARG A 39 -2.231 20.988 3.631 1.00 0.00 C ATOM 675 O ARG A 39 -2.317 20.087 4.442 1.00 0.00 O ATOM 676 CB ARG A 39 -1.535 23.244 4.500 1.00 0.00 C ATOM 677 CG ARG A 39 -3.059 23.276 4.683 1.00 0.00 C ATOM 678 CD ARG A 39 -3.469 24.662 5.190 1.00 0.00 C ATOM 679 NE ARG A 39 -4.003 24.529 6.573 1.00 0.00 N ATOM 680 CZ ARG A 39 -5.219 24.097 6.747 1.00 0.00 C ATOM 681 NH1 ARG A 39 -5.957 23.853 5.699 1.00 0.00 N ATOM 682 NH2 ARG A 39 -5.657 23.923 7.962 1.00 0.00 N ATOM 0 H ARG A 39 -1.002 23.369 2.080 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.243 21.544 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.046 23.237 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.206 24.146 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.557 23.058 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.370 22.508 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.613 25.336 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.224 25.096 4.534 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.423 24.774 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.579 24.001 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.912 23.514 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.050 24.125 8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.607 23.585 8.118 1.00 0.00 H new ATOM 696 N ILE A 40 -3.080 21.168 2.655 1.00 0.00 N ATOM 697 CA ILE A 40 -4.201 20.244 2.506 1.00 0.00 C ATOM 698 C ILE A 40 -3.642 18.874 2.170 1.00 0.00 C ATOM 699 O ILE A 40 -3.759 17.960 2.940 1.00 0.00 O ATOM 700 CB ILE A 40 -5.074 20.718 1.355 1.00 0.00 C ATOM 701 CG1 ILE A 40 -5.603 22.124 1.633 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.259 19.769 1.233 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.287 22.671 0.366 1.00 0.00 C ATOM 0 H ILE A 40 -3.032 21.917 1.965 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.789 20.200 3.423 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.486 20.734 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.311 22.101 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.785 22.780 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.900 20.091 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.898 18.759 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.829 19.777 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.666 23.674 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.565 22.708 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.115 22.018 0.089 1.00 0.00 H new ATOM 715 N SER A 41 -3.052 18.758 0.999 1.00 0.00 N ATOM 716 CA SER A 41 -2.468 17.435 0.600 1.00 0.00 C ATOM 717 C SER A 41 -1.766 16.765 1.783 1.00 0.00 C ATOM 718 O SER A 41 -1.721 15.553 1.871 1.00 0.00 O ATOM 719 CB SER A 41 -1.416 17.682 -0.506 1.00 0.00 C ATOM 720 OG SER A 41 -0.433 16.675 -0.295 1.00 0.00 O ATOM 0 H SER A 41 -2.951 19.508 0.315 1.00 0.00 H new ATOM 0 HA SER A 41 -3.273 16.787 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.858 17.603 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.985 18.680 -0.428 1.00 0.00 H new ATOM 0 HG SER A 41 -0.248 16.216 -1.141 1.00 0.00 H new ATOM 726 N ALA A 42 -1.234 17.564 2.668 1.00 0.00 N ATOM 727 CA ALA A 42 -0.534 16.985 3.841 1.00 0.00 C ATOM 728 C ALA A 42 -1.534 16.598 4.911 1.00 0.00 C ATOM 729 O ALA A 42 -1.300 15.706 5.701 1.00 0.00 O ATOM 730 CB ALA A 42 0.416 18.049 4.407 1.00 0.00 C ATOM 0 H ALA A 42 -1.255 18.583 2.627 1.00 0.00 H new ATOM 0 HA ALA A 42 0.017 16.096 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.942 17.644 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.139 18.334 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.158 18.925 4.709 1.00 0.00 H new ATOM 736 N THR A 43 -2.632 17.281 4.909 1.00 0.00 N ATOM 737 CA THR A 43 -3.677 16.991 5.904 1.00 0.00 C ATOM 738 C THR A 43 -4.629 15.980 5.321 1.00 0.00 C ATOM 739 O THR A 43 -5.266 15.220 6.024 1.00 0.00 O ATOM 740 CB THR A 43 -4.436 18.287 6.192 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.441 19.246 6.485 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.244 18.165 7.482 1.00 0.00 C ATOM 0 H THR A 43 -2.850 18.033 4.255 1.00 0.00 H new ATOM 0 HA THR A 43 -3.238 16.599 6.822 1.00 0.00 H new ATOM 0 HB THR A 43 -5.088 18.528 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.329 19.846 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.776 19.098 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.962 17.351 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.571 17.959 8.315 1.00 0.00 H new ATOM 750 N THR A 44 -4.700 16.003 4.028 1.00 0.00 N ATOM 751 CA THR A 44 -5.579 15.081 3.316 1.00 0.00 C ATOM 752 C THR A 44 -4.783 13.846 2.898 1.00 0.00 C ATOM 753 O THR A 44 -5.331 12.781 2.703 1.00 0.00 O ATOM 754 CB THR A 44 -6.101 15.836 2.100 1.00 0.00 C ATOM 755 OG1 THR A 44 -4.970 16.415 1.516 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.941 17.033 2.555 1.00 0.00 C ATOM 0 H THR A 44 -4.171 16.639 3.432 1.00 0.00 H new ATOM 0 HA THR A 44 -6.409 14.742 3.936 1.00 0.00 H new ATOM 0 HB THR A 44 -6.675 15.170 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.236 16.920 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.312 17.570 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.784 16.681 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.326 17.701 3.157 1.00 0.00 H new ATOM 764 N ASN A 45 -3.491 14.037 2.769 1.00 0.00 N ATOM 765 CA ASN A 45 -2.586 12.916 2.374 1.00 0.00 C ATOM 766 C ASN A 45 -2.565 12.605 0.864 1.00 0.00 C ATOM 767 O ASN A 45 -2.917 11.516 0.454 1.00 0.00 O ATOM 768 CB ASN A 45 -3.017 11.647 3.142 1.00 0.00 C ATOM 769 CG ASN A 45 -1.786 10.778 3.408 1.00 0.00 C ATOM 770 OD1 ASN A 45 -0.802 11.229 3.961 1.00 0.00 O ATOM 771 ND2 ASN A 45 -1.799 9.529 3.029 1.00 0.00 N ATOM 0 H ASN A 45 -3.023 14.930 2.922 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.574 13.233 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.494 11.921 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.753 11.089 2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.986 8.936 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.622 9.146 2.565 1.00 0.00 H new ATOM 778 N LEU A 46 -2.151 13.558 0.058 1.00 0.00 N ATOM 779 CA LEU A 46 -2.109 13.282 -1.414 1.00 0.00 C ATOM 780 C LEU A 46 -0.935 14.021 -2.044 1.00 0.00 C ATOM 781 O LEU A 46 -0.017 14.417 -1.355 1.00 0.00 O ATOM 782 CB LEU A 46 -3.438 13.679 -2.146 1.00 0.00 C ATOM 783 CG LEU A 46 -4.398 14.489 -1.251 1.00 0.00 C ATOM 784 CD1 LEU A 46 -4.459 15.915 -1.778 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.804 13.882 -1.347 1.00 0.00 C ATOM 0 H LEU A 46 -1.849 14.489 0.346 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.987 12.205 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.197 14.264 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.943 12.775 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.049 14.472 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.134 16.504 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.463 16.356 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.824 15.908 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.489 14.449 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.147 13.920 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.776 12.845 -1.011 1.00 0.00 H new ATOM 797 N SER A 47 -0.971 14.199 -3.333 1.00 0.00 N ATOM 798 CA SER A 47 0.140 14.903 -3.984 1.00 0.00 C ATOM 799 C SER A 47 0.053 16.374 -3.726 1.00 0.00 C ATOM 800 O SER A 47 0.258 16.833 -2.624 1.00 0.00 O ATOM 801 CB SER A 47 0.051 14.662 -5.497 1.00 0.00 C ATOM 802 OG SER A 47 1.098 15.454 -6.035 1.00 0.00 O ATOM 0 H SER A 47 -1.720 13.887 -3.951 1.00 0.00 H new ATOM 0 HA SER A 47 1.083 14.529 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.183 13.608 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.919 14.962 -5.892 1.00 0.00 H new ATOM 0 HG SER A 47 1.114 15.356 -7.010 1.00 0.00 H new ATOM 808 N GLU A 48 -0.268 17.076 -4.741 1.00 0.00 N ATOM 809 CA GLU A 48 -0.386 18.518 -4.634 1.00 0.00 C ATOM 810 C GLU A 48 -1.147 18.984 -5.836 1.00 0.00 C ATOM 811 O GLU A 48 -2.224 19.534 -5.723 1.00 0.00 O ATOM 812 CB GLU A 48 1.023 19.103 -4.639 1.00 0.00 C ATOM 813 CG GLU A 48 1.609 19.047 -3.217 1.00 0.00 C ATOM 814 CD GLU A 48 2.564 20.226 -3.020 1.00 0.00 C ATOM 815 OE1 GLU A 48 3.720 20.050 -3.369 1.00 0.00 O ATOM 816 OE2 GLU A 48 2.085 21.234 -2.532 1.00 0.00 O ATOM 0 H GLU A 48 -0.459 16.697 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.900 18.828 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.657 18.544 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.999 20.134 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.808 19.085 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.138 18.106 -3.065 1.00 0.00 H new ATOM 823 N ARG A 49 -0.576 18.758 -6.985 1.00 0.00 N ATOM 824 CA ARG A 49 -1.267 19.176 -8.194 1.00 0.00 C ATOM 825 C ARG A 49 -2.614 18.504 -8.155 1.00 0.00 C ATOM 826 O ARG A 49 -3.544 18.885 -8.838 1.00 0.00 O ATOM 827 CB ARG A 49 -0.487 18.686 -9.420 1.00 0.00 C ATOM 828 CG ARG A 49 -0.767 19.631 -10.590 1.00 0.00 C ATOM 829 CD ARG A 49 -0.050 19.115 -11.837 1.00 0.00 C ATOM 830 NE ARG A 49 -1.000 18.289 -12.635 1.00 0.00 N ATOM 831 CZ ARG A 49 -0.537 17.509 -13.573 1.00 0.00 C ATOM 832 NH1 ARG A 49 0.638 16.967 -13.418 1.00 0.00 N ATOM 833 NH2 ARG A 49 -1.267 17.297 -14.635 1.00 0.00 N ATOM 0 H ARG A 49 0.328 18.306 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.359 20.260 -8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.581 18.660 -9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.785 17.669 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.840 19.694 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.425 20.638 -10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.316 19.950 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.819 18.521 -11.553 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.002 18.333 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.179 17.155 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.016 16.354 -14.141 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.183 17.738 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.921 16.690 -15.379 1.00 0.00 H new ATOM 847 N GLN A 50 -2.674 17.481 -7.321 1.00 0.00 N ATOM 848 CA GLN A 50 -3.917 16.721 -7.163 1.00 0.00 C ATOM 849 C GLN A 50 -4.893 17.545 -6.356 1.00 0.00 C ATOM 850 O GLN A 50 -6.067 17.596 -6.661 1.00 0.00 O ATOM 851 CB GLN A 50 -3.596 15.425 -6.403 1.00 0.00 C ATOM 852 CG GLN A 50 -4.900 14.711 -6.048 1.00 0.00 C ATOM 853 CD GLN A 50 -4.623 13.215 -5.868 1.00 0.00 C ATOM 854 OE1 GLN A 50 -3.758 12.630 -6.652 1.00 0.00 O flip ATOM 855 NE2 GLN A 50 -5.192 12.568 -5.011 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.895 17.156 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.351 16.488 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.968 14.777 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.033 15.651 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.319 15.128 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.638 14.864 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.869 13.020 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.993 11.573 -4.907 1.00 0.00 H new ATOM 864 N VAL A 51 -4.388 18.189 -5.319 1.00 0.00 N ATOM 865 CA VAL A 51 -5.288 19.012 -4.501 1.00 0.00 C ATOM 866 C VAL A 51 -5.845 20.057 -5.403 1.00 0.00 C ATOM 867 O VAL A 51 -7.028 20.302 -5.460 1.00 0.00 O ATOM 868 CB VAL A 51 -4.519 19.721 -3.397 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.510 20.181 -2.338 1.00 0.00 C ATOM 870 CG2 VAL A 51 -3.522 18.778 -2.744 1.00 0.00 C ATOM 0 H VAL A 51 -3.411 18.169 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.057 18.384 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.980 20.565 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.976 20.692 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.231 20.864 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.034 19.317 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.983 19.306 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.053 17.929 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.814 18.422 -3.492 1.00 0.00 H new ATOM 880 N THR A 52 -4.946 20.660 -6.103 1.00 0.00 N ATOM 881 CA THR A 52 -5.321 21.700 -7.036 1.00 0.00 C ATOM 882 C THR A 52 -6.429 21.175 -7.909 1.00 0.00 C ATOM 883 O THR A 52 -7.397 21.852 -8.195 1.00 0.00 O ATOM 884 CB THR A 52 -4.105 21.971 -7.896 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.041 21.339 -7.222 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.724 23.446 -7.889 1.00 0.00 C ATOM 0 H THR A 52 -3.947 20.462 -6.057 1.00 0.00 H new ATOM 0 HA THR A 52 -5.653 22.604 -6.524 1.00 0.00 H new ATOM 0 HB THR A 52 -4.301 21.640 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.213 21.841 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.847 23.598 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.554 24.038 -8.274 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.498 23.759 -6.870 1.00 0.00 H new ATOM 894 N ILE A 53 -6.253 19.953 -8.321 1.00 0.00 N ATOM 895 CA ILE A 53 -7.256 19.322 -9.172 1.00 0.00 C ATOM 896 C ILE A 53 -8.470 19.005 -8.325 1.00 0.00 C ATOM 897 O ILE A 53 -9.586 18.971 -8.806 1.00 0.00 O ATOM 898 CB ILE A 53 -6.638 18.036 -9.745 1.00 0.00 C ATOM 899 CG1 ILE A 53 -6.366 18.224 -11.223 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.615 16.858 -9.572 1.00 0.00 C ATOM 901 CD1 ILE A 53 -7.689 18.156 -11.990 1.00 0.00 C ATOM 0 H ILE A 53 -5.446 19.372 -8.095 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.562 19.974 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.710 17.824 -9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.880 19.184 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.684 17.452 -11.581 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.168 15.952 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.826 16.713 -8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.544 17.075 -10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.500 18.291 -13.055 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.156 17.185 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.355 18.944 -11.637 1.00 0.00 H new ATOM 913 N TRP A 54 -8.223 18.778 -7.061 1.00 0.00 N ATOM 914 CA TRP A 54 -9.328 18.467 -6.157 1.00 0.00 C ATOM 915 C TRP A 54 -10.250 19.630 -6.163 1.00 0.00 C ATOM 916 O TRP A 54 -11.453 19.485 -6.140 1.00 0.00 O ATOM 917 CB TRP A 54 -8.755 18.292 -4.749 1.00 0.00 C ATOM 918 CG TRP A 54 -9.620 17.363 -3.936 1.00 0.00 C ATOM 919 CD1 TRP A 54 -10.820 16.964 -4.297 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.220 16.772 -2.843 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.139 16.056 -3.357 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.162 15.873 -2.390 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.038 16.960 -2.125 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -9.923 15.150 -1.241 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -7.818 16.239 -0.979 1.00 0.00 C ATOM 926 CH2 TRP A 54 -8.752 15.336 -0.538 1.00 0.00 C ATOM 0 H TRP A 54 -7.298 18.798 -6.632 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.851 17.561 -6.463 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.742 17.894 -4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.688 19.261 -4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.407 17.287 -5.144 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.023 15.546 -3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.300 17.669 -2.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -10.654 14.437 -0.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -6.905 16.383 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -8.569 14.769 0.363 1.00 0.00 H new ATOM 937 N PHE A 55 -9.657 20.794 -6.198 1.00 0.00 N ATOM 938 CA PHE A 55 -10.479 22.004 -6.211 1.00 0.00 C ATOM 939 C PHE A 55 -11.236 22.115 -7.524 1.00 0.00 C ATOM 940 O PHE A 55 -12.369 22.553 -7.558 1.00 0.00 O ATOM 941 CB PHE A 55 -9.553 23.199 -6.045 1.00 0.00 C ATOM 942 CG PHE A 55 -9.280 23.365 -4.565 1.00 0.00 C ATOM 943 CD1 PHE A 55 -10.270 23.833 -3.724 1.00 0.00 C ATOM 944 CD2 PHE A 55 -8.064 22.992 -4.031 1.00 0.00 C ATOM 945 CE1 PHE A 55 -10.049 23.920 -2.373 1.00 0.00 C ATOM 946 CE2 PHE A 55 -7.845 23.079 -2.680 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.836 23.545 -1.848 1.00 0.00 C ATOM 0 H PHE A 55 -8.648 20.943 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.209 21.970 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.623 23.041 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.013 24.099 -6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.224 24.132 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.281 22.630 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.830 24.284 -1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.892 22.781 -2.268 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.661 23.616 -0.785 1.00 0.00 H new ATOM 957 N GLN A 56 -10.594 21.715 -8.586 1.00 0.00 N ATOM 958 CA GLN A 56 -11.263 21.786 -9.906 1.00 0.00 C ATOM 959 C GLN A 56 -12.342 20.725 -10.004 1.00 0.00 C ATOM 960 O GLN A 56 -13.323 20.895 -10.700 1.00 0.00 O ATOM 961 CB GLN A 56 -10.217 21.523 -10.985 1.00 0.00 C ATOM 962 CG GLN A 56 -10.338 22.586 -12.077 1.00 0.00 C ATOM 963 CD GLN A 56 -9.165 22.446 -13.050 1.00 0.00 C ATOM 964 OE1 GLN A 56 -9.337 22.085 -14.198 1.00 0.00 O ATOM 965 NE2 GLN A 56 -7.960 22.719 -12.634 1.00 0.00 N ATOM 0 H GLN A 56 -9.643 21.346 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.718 22.768 -10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.217 21.543 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.359 20.530 -11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.283 22.472 -12.609 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.341 23.581 -11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.809 23.022 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.168 22.629 -13.271 1.00 0.00 H new ATOM 974 N ASN A 57 -12.143 19.645 -9.296 1.00 0.00 N ATOM 975 CA ASN A 57 -13.142 18.569 -9.334 1.00 0.00 C ATOM 976 C ASN A 57 -14.276 18.992 -8.474 1.00 0.00 C ATOM 977 O ASN A 57 -15.394 18.549 -8.617 1.00 0.00 O ATOM 978 CB ASN A 57 -12.515 17.284 -8.769 1.00 0.00 C ATOM 979 CG ASN A 57 -11.818 16.521 -9.897 1.00 0.00 C ATOM 980 OD1 ASN A 57 -11.250 17.192 -10.860 1.00 0.00 O flip ATOM 981 ND2 ASN A 57 -11.783 15.306 -9.911 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.333 19.473 -8.700 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.481 18.379 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.799 17.530 -7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.284 16.660 -8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.225 14.774 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.312 14.818 -10.673 1.00 0.00 H new ATOM 988 N ARG A 58 -13.951 19.856 -7.580 1.00 0.00 N ATOM 989 CA ARG A 58 -14.947 20.370 -6.669 1.00 0.00 C ATOM 990 C ARG A 58 -15.693 21.480 -7.387 1.00 0.00 C ATOM 991 O ARG A 58 -16.818 21.818 -7.047 1.00 0.00 O ATOM 992 CB ARG A 58 -14.209 20.946 -5.453 1.00 0.00 C ATOM 993 CG ARG A 58 -14.396 20.017 -4.244 1.00 0.00 C ATOM 994 CD ARG A 58 -15.882 19.936 -3.892 1.00 0.00 C ATOM 995 NE ARG A 58 -16.019 19.821 -2.413 1.00 0.00 N ATOM 996 CZ ARG A 58 -15.776 18.676 -1.836 1.00 0.00 C ATOM 997 NH1 ARG A 58 -16.710 17.766 -1.822 1.00 0.00 N ATOM 998 NH2 ARG A 58 -14.607 18.481 -1.292 1.00 0.00 N ATOM 0 H ARG A 58 -13.011 20.229 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.646 19.597 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.148 21.056 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.591 21.940 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.010 19.023 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.829 20.392 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.404 20.823 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.340 19.076 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.300 20.629 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.613 17.955 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.538 16.865 -1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.901 19.217 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.398 17.593 -0.836 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.050 22.009 -8.416 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.686 23.097 -9.187 1.00 0.00 C ATOM 1014 C ARG A 59 -16.552 22.478 -10.244 1.00 0.00 C ATOM 1015 O ARG A 59 -17.420 23.105 -10.812 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.583 23.934 -9.859 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.091 25.362 -10.061 1.00 0.00 C ATOM 1018 CD ARG A 59 -13.944 26.238 -10.574 1.00 0.00 C ATOM 1019 NE ARG A 59 -13.000 25.391 -11.359 1.00 0.00 N ATOM 1020 CZ ARG A 59 -12.690 25.738 -12.579 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -13.576 26.364 -13.304 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -11.501 25.446 -13.034 1.00 0.00 N ATOM 0 H ARG A 59 -14.124 21.726 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.285 23.733 -8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.685 23.938 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.308 23.494 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.916 25.370 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.476 25.760 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.334 27.043 -11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.424 26.705 -9.738 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.600 24.548 -10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.495 26.576 -12.916 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.349 26.642 -14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.834 24.955 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.240 25.709 -13.984 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.270 21.245 -10.496 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.024 20.501 -11.496 1.00 0.00 C ATOM 1038 C VAL A 60 -18.190 19.784 -10.823 1.00 0.00 C ATOM 1039 O VAL A 60 -19.167 19.434 -11.454 1.00 0.00 O ATOM 1040 CB VAL A 60 -16.046 19.483 -12.126 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.382 18.055 -11.674 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.150 19.569 -13.650 1.00 0.00 C ATOM 0 H VAL A 60 -15.529 20.716 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.435 21.158 -12.262 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.033 19.720 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.681 17.355 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.307 17.990 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.397 17.805 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.463 18.854 -14.103 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.170 19.338 -13.959 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.892 20.576 -13.976 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.054 19.583 -9.533 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.125 18.895 -8.775 1.00 0.00 C ATOM 1054 C LYS A 61 -20.146 19.894 -8.230 1.00 0.00 C ATOM 1055 O LYS A 61 -21.253 19.528 -7.897 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.482 18.156 -7.591 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.360 16.964 -7.211 1.00 0.00 C ATOM 1058 CD LYS A 61 -18.763 16.270 -5.985 1.00 0.00 C ATOM 1059 CE LYS A 61 -19.858 15.466 -5.280 1.00 0.00 C ATOM 1060 NZ LYS A 61 -20.540 16.301 -4.252 1.00 0.00 N ATOM 0 H LYS A 61 -17.245 19.869 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.639 18.204 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.481 17.816 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.374 18.830 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.375 17.298 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.425 16.264 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.948 15.612 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.341 17.009 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.585 15.113 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.424 14.583 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.280 15.740 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.846 16.617 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.971 17.130 -4.708 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.757 21.141 -8.143 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.699 22.151 -7.623 1.00 0.00 C ATOM 1076 C GLU A 62 -21.767 22.435 -8.653 1.00 0.00 C ATOM 1077 O GLU A 62 -22.914 22.666 -8.323 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.916 23.440 -7.352 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.675 24.165 -8.673 1.00 0.00 C ATOM 1080 CD GLU A 62 -18.744 25.354 -8.436 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -19.110 26.171 -7.606 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -17.718 25.379 -9.097 1.00 0.00 O ATOM 0 H GLU A 62 -18.837 21.491 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.170 21.784 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.472 24.081 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.966 23.209 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.234 23.483 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.622 24.508 -9.091 1.00 0.00 H new