USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 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= -1.67 K(o=-1.7,f=-3.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0.11 USER MOD Single : A 28 THR OG1 : rot 60:sc= 1.26 USER MOD Single : A 29 ASN :FLIP amide:sc= -2.46! C(o=-6.7!,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.183 (180deg=-1.02) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 34 LYS NZ :NH3+ 142:sc= -0.308 (180deg=-1.54!) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.164 (180deg=-0.981) USER MOD Single : A 41 SER OG : rot 154:sc= 0.673 USER MOD Single : A 43 THR OG1 : rot -96:sc= -1.35! USER MOD Single : A 44 THR OG1 : rot 158:sc= -2.41! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 47 SER OG : rot 180:sc= -0.571! USER MOD Single : A 50 GLN :FLIP amide:sc= -2.18 F(o=-6.1!,f=-2.2) USER MOD Single : A 52 THR OG1 : rot -143:sc= -2.55 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.284 K(o=-0.28,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -1.83! (180deg=-2.36!) USER MOD ----------------------------------------------------------------- ATOM 288 N GLN A 18 -10.838 15.211 4.572 1.00 0.00 N ATOM 289 CA GLN A 18 -10.543 15.408 3.142 1.00 0.00 C ATOM 290 C GLN A 18 -11.608 16.271 2.484 1.00 0.00 C ATOM 291 O GLN A 18 -11.322 17.341 1.977 1.00 0.00 O ATOM 292 CB GLN A 18 -10.575 14.023 2.492 1.00 0.00 C ATOM 293 CG GLN A 18 -9.647 14.018 1.311 1.00 0.00 C ATOM 294 CD GLN A 18 -9.857 12.738 0.501 1.00 0.00 C ATOM 295 OE1 GLN A 18 -10.969 12.346 0.219 1.00 0.00 O ATOM 296 NE2 GLN A 18 -8.813 12.060 0.104 1.00 0.00 N ATOM 0 HA GLN A 18 -9.578 15.901 3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.273 13.262 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.589 13.778 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.833 14.891 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.612 14.082 1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.875 12.385 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.936 11.206 -0.440 1.00 0.00 H new ATOM 305 N LEU A 19 -12.825 15.797 2.509 1.00 0.00 N ATOM 306 CA LEU A 19 -13.911 16.581 1.886 1.00 0.00 C ATOM 307 C LEU A 19 -14.227 17.801 2.716 1.00 0.00 C ATOM 308 O LEU A 19 -14.923 18.694 2.273 1.00 0.00 O ATOM 309 CB LEU A 19 -15.160 15.700 1.783 1.00 0.00 C ATOM 310 CG LEU A 19 -15.072 14.887 0.494 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.086 15.838 -0.709 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.763 14.108 0.499 1.00 0.00 C ATOM 0 H LEU A 19 -13.105 14.911 2.930 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.594 16.907 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.228 15.037 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.059 16.316 1.782 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.918 14.203 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.023 15.260 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.010 16.416 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.234 16.516 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.685 13.521 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.926 14.804 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.740 13.441 1.361 1.00 0.00 H new ATOM 324 N LYS A 20 -13.718 17.822 3.907 1.00 0.00 N ATOM 325 CA LYS A 20 -13.979 18.975 4.768 1.00 0.00 C ATOM 326 C LYS A 20 -13.047 20.101 4.388 1.00 0.00 C ATOM 327 O LYS A 20 -13.450 21.231 4.291 1.00 0.00 O ATOM 328 CB LYS A 20 -13.712 18.580 6.223 1.00 0.00 C ATOM 329 CG LYS A 20 -14.046 19.761 7.137 1.00 0.00 C ATOM 330 CD LYS A 20 -13.770 19.360 8.587 1.00 0.00 C ATOM 331 CE LYS A 20 -14.932 19.824 9.466 1.00 0.00 C ATOM 332 NZ LYS A 20 -14.529 19.817 10.899 1.00 0.00 N ATOM 0 H LYS A 20 -13.136 17.090 4.313 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.014 19.296 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.316 17.714 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.668 18.292 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.446 20.629 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.091 20.046 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.651 18.279 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.837 19.808 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.241 20.827 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.792 19.170 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.327 20.134 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.256 18.853 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.722 20.459 11.036 1.00 0.00 H new ATOM 346 N GLU A 21 -11.807 19.769 4.150 1.00 0.00 N ATOM 347 CA GLU A 21 -10.852 20.831 3.773 1.00 0.00 C ATOM 348 C GLU A 21 -11.070 21.256 2.333 1.00 0.00 C ATOM 349 O GLU A 21 -10.666 22.325 1.929 1.00 0.00 O ATOM 350 CB GLU A 21 -9.423 20.285 3.923 1.00 0.00 C ATOM 351 CG GLU A 21 -8.554 21.339 4.610 1.00 0.00 C ATOM 352 CD GLU A 21 -8.808 21.294 6.119 1.00 0.00 C ATOM 353 OE1 GLU A 21 -8.238 20.411 6.738 1.00 0.00 O ATOM 354 OE2 GLU A 21 -9.557 22.146 6.567 1.00 0.00 O ATOM 0 H GLU A 21 -11.426 18.824 4.201 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.004 21.694 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.431 19.365 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.011 20.037 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.501 21.152 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.786 22.330 4.219 1.00 0.00 H new ATOM 361 N LEU A 22 -11.713 20.418 1.582 1.00 0.00 N ATOM 362 CA LEU A 22 -11.964 20.764 0.168 1.00 0.00 C ATOM 363 C LEU A 22 -13.144 21.725 0.036 1.00 0.00 C ATOM 364 O LEU A 22 -13.028 22.780 -0.555 1.00 0.00 O ATOM 365 CB LEU A 22 -12.309 19.460 -0.593 1.00 0.00 C ATOM 366 CG LEU A 22 -11.259 19.199 -1.682 1.00 0.00 C ATOM 367 CD1 LEU A 22 -11.112 20.442 -2.561 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.915 18.886 -1.021 1.00 0.00 C ATOM 0 H LEU A 22 -12.074 19.513 1.885 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.075 21.245 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.342 18.621 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.299 19.541 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.574 18.355 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.366 20.255 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.069 20.672 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.796 21.286 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.166 18.700 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.604 19.733 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.016 18.002 -0.392 1.00 0.00 H new ATOM 380 N GLU A 23 -14.245 21.358 0.627 1.00 0.00 N ATOM 381 CA GLU A 23 -15.452 22.230 0.547 1.00 0.00 C ATOM 382 C GLU A 23 -15.318 23.519 1.355 1.00 0.00 C ATOM 383 O GLU A 23 -16.006 24.486 1.086 1.00 0.00 O ATOM 384 CB GLU A 23 -16.645 21.436 1.096 1.00 0.00 C ATOM 385 CG GLU A 23 -17.929 21.945 0.443 1.00 0.00 C ATOM 386 CD GLU A 23 -19.132 21.467 1.255 1.00 0.00 C ATOM 387 OE1 GLU A 23 -19.459 20.301 1.103 1.00 0.00 O ATOM 388 OE2 GLU A 23 -19.655 22.293 1.984 1.00 0.00 O ATOM 0 H GLU A 23 -14.363 20.496 1.160 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.585 22.516 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.515 20.373 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.704 21.547 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.919 23.034 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.999 21.580 -0.582 1.00 0.00 H new ATOM 395 N ARG A 24 -14.443 23.530 2.315 1.00 0.00 N ATOM 396 CA ARG A 24 -14.289 24.766 3.123 1.00 0.00 C ATOM 397 C ARG A 24 -13.269 25.695 2.508 1.00 0.00 C ATOM 398 O ARG A 24 -13.548 26.853 2.270 1.00 0.00 O ATOM 399 CB ARG A 24 -13.824 24.371 4.525 1.00 0.00 C ATOM 400 CG ARG A 24 -15.047 24.044 5.405 1.00 0.00 C ATOM 401 CD ARG A 24 -16.004 23.078 4.676 1.00 0.00 C ATOM 402 NE ARG A 24 -17.283 23.012 5.438 1.00 0.00 N ATOM 403 CZ ARG A 24 -18.321 23.668 4.999 1.00 0.00 C ATOM 404 NH1 ARG A 24 -18.654 23.549 3.744 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.991 24.422 5.828 1.00 0.00 N ATOM 0 H ARG A 24 -13.837 22.751 2.573 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.246 25.286 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.162 23.507 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.250 25.183 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.717 23.597 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.575 24.964 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.187 23.423 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.557 22.087 4.601 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.346 22.460 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.106 22.951 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.463 24.054 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.700 24.491 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.805 24.942 5.500 1.00 0.00 H new ATOM 419 N GLU A 25 -12.106 25.185 2.254 1.00 0.00 N ATOM 420 CA GLU A 25 -11.075 26.046 1.653 1.00 0.00 C ATOM 421 C GLU A 25 -11.584 26.649 0.361 1.00 0.00 C ATOM 422 O GLU A 25 -11.116 27.684 -0.072 1.00 0.00 O ATOM 423 CB GLU A 25 -9.848 25.199 1.352 1.00 0.00 C ATOM 424 CG GLU A 25 -9.376 24.523 2.641 1.00 0.00 C ATOM 425 CD GLU A 25 -8.519 25.504 3.444 1.00 0.00 C ATOM 426 OE1 GLU A 25 -9.115 26.412 4.002 1.00 0.00 O ATOM 427 OE2 GLU A 25 -7.318 25.292 3.454 1.00 0.00 O ATOM 0 H GLU A 25 -11.830 24.220 2.435 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.827 26.849 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.086 24.448 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.053 25.822 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.234 24.204 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.800 23.628 2.406 1.00 0.00 H new ATOM 434 N TYR A 26 -12.540 25.992 -0.242 1.00 0.00 N ATOM 435 CA TYR A 26 -13.085 26.522 -1.505 1.00 0.00 C ATOM 436 C TYR A 26 -14.153 27.546 -1.198 1.00 0.00 C ATOM 437 O TYR A 26 -14.199 28.603 -1.796 1.00 0.00 O ATOM 438 CB TYR A 26 -13.704 25.367 -2.301 1.00 0.00 C ATOM 439 CG TYR A 26 -13.676 25.705 -3.788 1.00 0.00 C ATOM 440 CD1 TYR A 26 -14.426 26.750 -4.282 1.00 0.00 C ATOM 441 CD2 TYR A 26 -12.901 24.966 -4.657 1.00 0.00 C ATOM 442 CE1 TYR A 26 -14.405 27.054 -5.628 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.879 25.268 -6.003 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.631 26.316 -6.499 1.00 0.00 C ATOM 445 OH TYR A 26 -13.609 26.617 -7.845 1.00 0.00 O ATOM 0 H TYR A 26 -12.957 25.122 0.088 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.290 26.989 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.152 24.446 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.730 25.195 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -15.035 27.336 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.307 24.146 -4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.999 27.875 -6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.270 24.681 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.010 25.996 -8.309 1.00 0.00 H new ATOM 455 N ALA A 27 -14.999 27.215 -0.263 1.00 0.00 N ATOM 456 CA ALA A 27 -16.068 28.156 0.100 1.00 0.00 C ATOM 457 C ALA A 27 -15.469 29.344 0.831 1.00 0.00 C ATOM 458 O ALA A 27 -16.122 30.346 1.042 1.00 0.00 O ATOM 459 CB ALA A 27 -17.060 27.443 1.033 1.00 0.00 C ATOM 0 H ALA A 27 -14.989 26.337 0.257 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.578 28.500 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.858 28.131 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.486 26.580 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.540 27.111 1.931 1.00 0.00 H new ATOM 465 N THR A 28 -14.220 29.203 1.210 1.00 0.00 N ATOM 466 CA THR A 28 -13.551 30.305 1.926 1.00 0.00 C ATOM 467 C THR A 28 -13.400 31.494 1.007 1.00 0.00 C ATOM 468 O THR A 28 -13.668 32.616 1.389 1.00 0.00 O ATOM 469 CB THR A 28 -12.157 29.831 2.363 1.00 0.00 C ATOM 470 OG1 THR A 28 -12.383 28.957 3.449 1.00 0.00 O ATOM 471 CG2 THR A 28 -11.346 30.989 2.964 1.00 0.00 C ATOM 0 H THR A 28 -13.649 28.373 1.050 1.00 0.00 H new ATOM 0 HA THR A 28 -14.145 30.593 2.794 1.00 0.00 H new ATOM 0 HB THR A 28 -11.632 29.399 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.941 28.207 3.155 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.363 30.627 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.230 31.777 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.869 31.386 3.834 1.00 0.00 H new ATOM 479 N ASN A 29 -12.973 31.233 -0.195 1.00 0.00 N ATOM 480 CA ASN A 29 -12.804 32.359 -1.151 1.00 0.00 C ATOM 481 C ASN A 29 -12.807 31.874 -2.596 1.00 0.00 C ATOM 482 O ASN A 29 -13.846 31.768 -3.218 1.00 0.00 O ATOM 483 CB ASN A 29 -11.458 33.044 -0.859 1.00 0.00 C ATOM 484 CG ASN A 29 -11.118 34.003 -2.003 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.222 33.645 -2.883 1.00 0.00 O flip ATOM 486 ND2 ASN A 29 -11.663 35.084 -2.106 1.00 0.00 N flip ATOM 0 H ASN A 29 -12.738 30.307 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.637 33.050 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.511 33.589 0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.672 32.296 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.364 35.369 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.420 35.706 -2.877 1.00 0.00 H new ATOM 493 N LYS A 30 -11.640 31.591 -3.099 1.00 0.00 N ATOM 494 CA LYS A 30 -11.532 31.111 -4.501 1.00 0.00 C ATOM 495 C LYS A 30 -10.482 30.037 -4.561 1.00 0.00 C ATOM 496 O LYS A 30 -10.715 28.949 -5.050 1.00 0.00 O ATOM 497 CB LYS A 30 -11.099 32.294 -5.394 1.00 0.00 C ATOM 498 CG LYS A 30 -10.738 31.782 -6.800 1.00 0.00 C ATOM 499 CD LYS A 30 -11.999 31.253 -7.485 1.00 0.00 C ATOM 500 CE LYS A 30 -11.720 31.092 -8.982 1.00 0.00 C ATOM 501 NZ LYS A 30 -11.421 32.413 -9.602 1.00 0.00 N ATOM 0 H LYS A 30 -10.755 31.672 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.488 30.716 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.904 33.026 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.242 32.801 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.300 32.586 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.989 30.993 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.291 30.297 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.830 31.941 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.879 30.415 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.583 30.640 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.696 32.396 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.956 33.157 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.403 32.610 -9.525 1.00 0.00 H new ATOM 515 N PHE A 31 -9.334 30.366 -4.058 1.00 0.00 N ATOM 516 CA PHE A 31 -8.245 29.406 -4.056 1.00 0.00 C ATOM 517 C PHE A 31 -7.347 29.682 -2.887 1.00 0.00 C ATOM 518 O PHE A 31 -7.379 30.764 -2.332 1.00 0.00 O ATOM 519 CB PHE A 31 -7.458 29.469 -5.366 1.00 0.00 C ATOM 520 CG PHE A 31 -7.236 28.032 -5.795 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.230 27.279 -5.214 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.120 27.417 -6.660 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.123 25.940 -5.486 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.006 26.076 -6.929 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.009 25.341 -6.340 1.00 0.00 C ATOM 0 H PHE A 31 -9.116 31.273 -3.647 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.657 28.401 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.011 30.021 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.508 29.984 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.526 27.749 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.905 27.994 -7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.339 25.357 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.701 25.600 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.923 24.285 -6.551 1.00 0.00 H new ATOM 535 N ILE A 32 -6.558 28.713 -2.533 1.00 0.00 N ATOM 536 CA ILE A 32 -5.650 28.897 -1.389 1.00 0.00 C ATOM 537 C ILE A 32 -4.183 28.964 -1.797 1.00 0.00 C ATOM 538 O ILE A 32 -3.797 28.543 -2.871 1.00 0.00 O ATOM 539 CB ILE A 32 -5.880 27.725 -0.436 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.923 26.766 -1.016 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.430 28.285 0.887 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.279 25.956 -2.143 1.00 0.00 C ATOM 0 H ILE A 32 -6.507 27.803 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.870 29.853 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.941 27.192 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.296 26.099 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.779 27.324 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.603 27.466 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.709 28.981 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.369 28.806 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.014 25.269 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.927 26.632 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.437 25.388 -1.748 1.00 0.00 H new ATOM 554 N THR A 33 -3.399 29.504 -0.903 1.00 0.00 N ATOM 555 CA THR A 33 -1.939 29.647 -1.148 1.00 0.00 C ATOM 556 C THR A 33 -1.224 28.308 -1.133 1.00 0.00 C ATOM 557 O THR A 33 -1.724 27.333 -0.612 1.00 0.00 O ATOM 558 CB THR A 33 -1.355 30.517 -0.033 1.00 0.00 C ATOM 559 OG1 THR A 33 -2.419 31.344 0.392 1.00 0.00 O ATOM 560 CG2 THR A 33 -0.307 31.491 -0.592 1.00 0.00 C ATOM 0 H THR A 33 -3.716 29.857 0.000 1.00 0.00 H new ATOM 0 HA THR A 33 -1.798 30.093 -2.132 1.00 0.00 H new ATOM 0 HB THR A 33 -0.915 29.884 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.109 31.931 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.094 32.099 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.502 30.928 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.772 32.139 -1.335 1.00 0.00 H new ATOM 568 N LYS A 34 -0.052 28.293 -1.707 1.00 0.00 N ATOM 569 CA LYS A 34 0.728 27.038 -1.747 1.00 0.00 C ATOM 570 C LYS A 34 0.798 26.420 -0.369 1.00 0.00 C ATOM 571 O LYS A 34 0.728 25.217 -0.219 1.00 0.00 O ATOM 572 CB LYS A 34 2.152 27.370 -2.224 1.00 0.00 C ATOM 573 CG LYS A 34 2.068 28.253 -3.474 1.00 0.00 C ATOM 574 CD LYS A 34 1.302 27.503 -4.571 1.00 0.00 C ATOM 575 CE LYS A 34 -0.133 28.040 -4.646 1.00 0.00 C ATOM 576 NZ LYS A 34 -0.127 29.511 -4.889 1.00 0.00 N ATOM 0 H LYS A 34 0.393 29.098 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 34 0.249 26.331 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.702 27.885 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.697 26.453 -2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.564 29.191 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.069 28.508 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.801 27.631 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.292 26.434 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.675 27.535 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.659 27.821 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.904 29.759 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.253 30.012 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.780 29.789 -5.316 1.00 0.00 H new ATOM 590 N ASP A 35 0.932 27.254 0.618 1.00 0.00 N ATOM 591 CA ASP A 35 1.007 26.731 1.994 1.00 0.00 C ATOM 592 C ASP A 35 -0.330 26.135 2.393 1.00 0.00 C ATOM 593 O ASP A 35 -0.394 25.203 3.171 1.00 0.00 O ATOM 594 CB ASP A 35 1.339 27.893 2.946 1.00 0.00 C ATOM 595 CG ASP A 35 1.436 27.362 4.378 1.00 0.00 C ATOM 596 OD1 ASP A 35 1.785 26.200 4.502 1.00 0.00 O ATOM 597 OD2 ASP A 35 1.156 28.149 5.268 1.00 0.00 O ATOM 0 H ASP A 35 0.992 28.268 0.528 1.00 0.00 H new ATOM 0 HA ASP A 35 1.776 25.961 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.280 28.360 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.569 28.662 2.882 1.00 0.00 H new ATOM 602 N LYS A 36 -1.383 26.665 1.831 1.00 0.00 N ATOM 603 CA LYS A 36 -2.710 26.142 2.168 1.00 0.00 C ATOM 604 C LYS A 36 -3.043 24.969 1.262 1.00 0.00 C ATOM 605 O LYS A 36 -3.816 24.103 1.616 1.00 0.00 O ATOM 606 CB LYS A 36 -3.735 27.259 1.975 1.00 0.00 C ATOM 607 CG LYS A 36 -3.742 28.145 3.222 1.00 0.00 C ATOM 608 CD LYS A 36 -4.897 27.725 4.131 1.00 0.00 C ATOM 609 CE LYS A 36 -4.756 28.431 5.481 1.00 0.00 C ATOM 610 NZ LYS A 36 -3.458 28.077 6.122 1.00 0.00 N ATOM 0 H LYS A 36 -1.369 27.432 1.159 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.727 25.799 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.487 27.850 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.726 26.837 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.794 28.054 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.849 29.192 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.851 27.983 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.892 26.644 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.817 29.510 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.581 28.147 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.543 28.172 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.210 27.095 5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.714 28.716 5.776 1.00 0.00 H new ATOM 624 N ARG A 37 -2.440 24.963 0.101 1.00 0.00 N ATOM 625 CA ARG A 37 -2.694 23.860 -0.854 1.00 0.00 C ATOM 626 C ARG A 37 -1.964 22.633 -0.387 1.00 0.00 C ATOM 627 O ARG A 37 -2.391 21.511 -0.598 1.00 0.00 O ATOM 628 CB ARG A 37 -2.130 24.260 -2.222 1.00 0.00 C ATOM 629 CG ARG A 37 -3.033 25.307 -2.847 1.00 0.00 C ATOM 630 CD ARG A 37 -2.562 25.591 -4.273 1.00 0.00 C ATOM 631 NE ARG A 37 -2.562 24.325 -5.053 1.00 0.00 N ATOM 632 CZ ARG A 37 -1.540 24.053 -5.820 1.00 0.00 C ATOM 633 NH1 ARG A 37 -0.990 25.020 -6.505 1.00 0.00 N ATOM 634 NH2 ARG A 37 -1.100 22.827 -5.873 1.00 0.00 N ATOM 0 H ARG A 37 -1.785 25.676 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.764 23.663 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.119 24.653 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.063 23.387 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.065 24.956 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.012 26.222 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.217 26.323 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.561 26.022 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.348 23.678 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.359 25.968 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.191 24.827 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.553 22.098 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.303 22.596 -6.466 1.00 0.00 H new ATOM 648 N ARG A 38 -0.866 22.878 0.252 1.00 0.00 N ATOM 649 CA ARG A 38 -0.056 21.769 0.764 1.00 0.00 C ATOM 650 C ARG A 38 -0.653 21.282 2.057 1.00 0.00 C ATOM 651 O ARG A 38 -0.556 20.120 2.394 1.00 0.00 O ATOM 652 CB ARG A 38 1.372 22.288 1.019 1.00 0.00 C ATOM 653 CG ARG A 38 2.213 21.192 1.683 1.00 0.00 C ATOM 654 CD ARG A 38 3.528 21.800 2.168 1.00 0.00 C ATOM 655 NE ARG A 38 4.430 20.705 2.619 1.00 0.00 N ATOM 656 CZ ARG A 38 5.237 20.139 1.761 1.00 0.00 C ATOM 657 NH1 ARG A 38 5.254 20.566 0.526 1.00 0.00 N ATOM 658 NH2 ARG A 38 6.001 19.163 2.167 1.00 0.00 N ATOM 0 H ARG A 38 -0.497 23.810 0.440 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.032 20.950 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.832 22.592 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.339 23.171 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.669 20.755 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.409 20.387 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.998 22.369 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.342 22.496 2.986 1.00 0.00 H new ATOM 0 HE ARG A 38 4.418 20.398 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.643 21.332 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.879 20.134 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.962 18.855 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.638 18.708 1.513 1.00 0.00 H new ATOM 672 N ARG A 39 -1.285 22.182 2.760 1.00 0.00 N ATOM 673 CA ARG A 39 -1.895 21.787 4.031 1.00 0.00 C ATOM 674 C ARG A 39 -2.929 20.748 3.740 1.00 0.00 C ATOM 675 O ARG A 39 -3.001 19.725 4.391 1.00 0.00 O ATOM 676 CB ARG A 39 -2.570 23.015 4.647 1.00 0.00 C ATOM 677 CG ARG A 39 -1.851 23.398 5.935 1.00 0.00 C ATOM 678 CD ARG A 39 -0.423 23.842 5.621 1.00 0.00 C ATOM 679 NE ARG A 39 0.464 23.456 6.757 1.00 0.00 N ATOM 680 CZ ARG A 39 0.025 23.571 7.985 1.00 0.00 C ATOM 681 NH1 ARG A 39 -0.632 24.647 8.323 1.00 0.00 N ATOM 682 NH2 ARG A 39 0.259 22.604 8.832 1.00 0.00 N ATOM 0 H ARG A 39 -1.397 23.162 2.501 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.148 21.394 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.546 23.847 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.619 22.802 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.389 24.202 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.835 22.550 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.078 23.376 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.389 24.920 5.466 1.00 0.00 H new ATOM 0 HE ARG A 39 1.405 23.105 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.796 25.382 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.981 24.753 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.776 21.777 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.075 22.676 9.793 1.00 0.00 H new ATOM 696 N ILE A 40 -3.722 21.030 2.750 1.00 0.00 N ATOM 697 CA ILE A 40 -4.762 20.082 2.378 1.00 0.00 C ATOM 698 C ILE A 40 -4.107 18.766 2.023 1.00 0.00 C ATOM 699 O ILE A 40 -4.215 17.804 2.745 1.00 0.00 O ATOM 700 CB ILE A 40 -5.465 20.623 1.156 1.00 0.00 C ATOM 701 CG1 ILE A 40 -6.107 21.970 1.480 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.559 19.644 0.761 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.327 22.771 0.184 1.00 0.00 C ATOM 0 H ILE A 40 -3.683 21.882 2.190 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.469 19.938 3.195 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.747 20.751 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.059 21.816 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.469 22.532 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.080 20.017 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.116 18.674 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.267 19.539 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.785 23.731 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.369 22.939 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.983 22.211 -0.483 1.00 0.00 H new ATOM 715 N SER A 41 -3.423 18.748 0.906 1.00 0.00 N ATOM 716 CA SER A 41 -2.753 17.497 0.501 1.00 0.00 C ATOM 717 C SER A 41 -2.031 16.872 1.703 1.00 0.00 C ATOM 718 O SER A 41 -1.995 15.665 1.852 1.00 0.00 O ATOM 719 CB SER A 41 -1.713 17.842 -0.577 1.00 0.00 C ATOM 720 OG SER A 41 -0.682 16.883 -0.384 1.00 0.00 O ATOM 0 H SER A 41 -3.306 19.538 0.272 1.00 0.00 H new ATOM 0 HA SER A 41 -3.490 16.789 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.139 17.773 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.339 18.859 -0.459 1.00 0.00 H new ATOM 0 HG SER A 41 -0.204 16.743 -1.228 1.00 0.00 H new ATOM 726 N ALA A 42 -1.474 17.717 2.542 1.00 0.00 N ATOM 727 CA ALA A 42 -0.752 17.201 3.736 1.00 0.00 C ATOM 728 C ALA A 42 -1.727 16.620 4.755 1.00 0.00 C ATOM 729 O ALA A 42 -1.376 15.746 5.524 1.00 0.00 O ATOM 730 CB ALA A 42 0.012 18.367 4.383 1.00 0.00 C ATOM 0 H ALA A 42 -1.491 18.732 2.447 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.068 16.411 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.548 18.008 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.723 18.778 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.693 19.143 4.681 1.00 0.00 H new ATOM 736 N THR A 43 -2.936 17.114 4.745 1.00 0.00 N ATOM 737 CA THR A 43 -3.935 16.595 5.707 1.00 0.00 C ATOM 738 C THR A 43 -4.643 15.451 5.050 1.00 0.00 C ATOM 739 O THR A 43 -4.895 14.426 5.653 1.00 0.00 O ATOM 740 CB THR A 43 -4.946 17.700 6.041 1.00 0.00 C ATOM 741 OG1 THR A 43 -5.040 18.492 4.882 1.00 0.00 O ATOM 742 CG2 THR A 43 -4.382 18.647 7.105 1.00 0.00 C ATOM 0 H THR A 43 -3.267 17.847 4.117 1.00 0.00 H new ATOM 0 HA THR A 43 -3.451 16.271 6.628 1.00 0.00 H new ATOM 0 HB THR A 43 -5.880 17.251 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.438 19.261 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.115 19.423 7.327 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.162 18.085 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.467 19.108 6.733 1.00 0.00 H new ATOM 750 N THR A 44 -4.957 15.654 3.809 1.00 0.00 N ATOM 751 CA THR A 44 -5.644 14.613 3.054 1.00 0.00 C ATOM 752 C THR A 44 -4.637 13.509 2.775 1.00 0.00 C ATOM 753 O THR A 44 -4.983 12.388 2.459 1.00 0.00 O ATOM 754 CB THR A 44 -6.109 15.243 1.758 1.00 0.00 C ATOM 755 OG1 THR A 44 -4.960 15.774 1.190 1.00 0.00 O ATOM 756 CG2 THR A 44 -6.991 16.460 2.045 1.00 0.00 C ATOM 0 H THR A 44 -4.760 16.510 3.290 1.00 0.00 H new ATOM 0 HA THR A 44 -6.496 14.197 3.592 1.00 0.00 H new ATOM 0 HB THR A 44 -6.644 14.513 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.092 15.881 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.318 16.903 1.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.862 16.150 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.422 17.196 2.614 1.00 0.00 H new ATOM 764 N ASN A 45 -3.389 13.886 2.903 1.00 0.00 N ATOM 765 CA ASN A 45 -2.268 12.940 2.676 1.00 0.00 C ATOM 766 C ASN A 45 -2.127 12.449 1.231 1.00 0.00 C ATOM 767 O ASN A 45 -2.413 11.306 0.939 1.00 0.00 O ATOM 768 CB ASN A 45 -2.476 11.720 3.586 1.00 0.00 C ATOM 769 CG ASN A 45 -1.130 11.020 3.789 1.00 0.00 C ATOM 770 OD1 ASN A 45 -0.742 10.161 3.023 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.386 11.363 4.806 1.00 0.00 N ATOM 0 H ASN A 45 -3.101 14.830 3.161 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.353 13.487 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.888 12.031 4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.195 11.033 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.516 10.910 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.707 12.084 5.452 1.00 0.00 H new ATOM 778 N LEU A 46 -1.700 13.312 0.340 1.00 0.00 N ATOM 779 CA LEU A 46 -1.548 12.839 -1.071 1.00 0.00 C ATOM 780 C LEU A 46 -0.485 13.646 -1.836 1.00 0.00 C ATOM 781 O LEU A 46 0.637 13.759 -1.383 1.00 0.00 O ATOM 782 CB LEU A 46 -2.900 12.882 -1.808 1.00 0.00 C ATOM 783 CG LEU A 46 -3.698 14.102 -1.395 1.00 0.00 C ATOM 784 CD1 LEU A 46 -3.110 15.339 -2.069 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.152 13.910 -1.854 1.00 0.00 C ATOM 0 H LEU A 46 -1.458 14.287 0.518 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.205 11.805 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.732 12.899 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.468 11.978 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.661 14.230 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.681 16.220 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.071 15.461 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.157 15.221 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.743 14.779 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.179 13.797 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.567 13.018 -1.385 1.00 0.00 H new ATOM 797 N SER A 47 -0.845 14.191 -2.973 1.00 0.00 N ATOM 798 CA SER A 47 0.147 14.975 -3.753 1.00 0.00 C ATOM 799 C SER A 47 0.041 16.467 -3.497 1.00 0.00 C ATOM 800 O SER A 47 0.469 16.962 -2.481 1.00 0.00 O ATOM 801 CB SER A 47 -0.129 14.721 -5.239 1.00 0.00 C ATOM 802 OG SER A 47 0.774 15.584 -5.912 1.00 0.00 O ATOM 0 H SER A 47 -1.775 14.125 -3.387 1.00 0.00 H new ATOM 0 HA SER A 47 1.146 14.660 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.044 13.678 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.164 14.948 -5.497 1.00 0.00 H new ATOM 0 HG SER A 47 0.664 15.482 -6.880 1.00 0.00 H new ATOM 808 N GLU A 48 -0.518 17.139 -4.447 1.00 0.00 N ATOM 809 CA GLU A 48 -0.694 18.594 -4.354 1.00 0.00 C ATOM 810 C GLU A 48 -1.326 19.031 -5.643 1.00 0.00 C ATOM 811 O GLU A 48 -2.410 19.578 -5.649 1.00 0.00 O ATOM 812 CB GLU A 48 0.683 19.259 -4.194 1.00 0.00 C ATOM 813 CG GLU A 48 0.981 19.503 -2.699 1.00 0.00 C ATOM 814 CD GLU A 48 1.319 20.979 -2.484 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.476 21.306 -2.689 1.00 0.00 O ATOM 816 OE2 GLU A 48 0.399 21.697 -2.125 1.00 0.00 O ATOM 0 H GLU A 48 -0.870 16.724 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.313 18.872 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.455 18.624 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.705 20.204 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.118 19.224 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.813 18.877 -2.375 1.00 0.00 H new ATOM 823 N ARG A 49 -0.630 18.796 -6.734 1.00 0.00 N ATOM 824 CA ARG A 49 -1.196 19.185 -8.016 1.00 0.00 C ATOM 825 C ARG A 49 -2.584 18.609 -8.040 1.00 0.00 C ATOM 826 O ARG A 49 -3.453 19.052 -8.763 1.00 0.00 O ATOM 827 CB ARG A 49 -0.363 18.558 -9.148 1.00 0.00 C ATOM 828 CG ARG A 49 0.883 19.411 -9.386 1.00 0.00 C ATOM 829 CD ARG A 49 1.891 18.611 -10.215 1.00 0.00 C ATOM 830 NE ARG A 49 2.976 18.126 -9.319 1.00 0.00 N ATOM 831 CZ ARG A 49 3.674 18.990 -8.634 1.00 0.00 C ATOM 832 NH1 ARG A 49 4.671 19.596 -9.217 1.00 0.00 N ATOM 833 NH2 ARG A 49 3.350 19.218 -7.392 1.00 0.00 N ATOM 0 H ARG A 49 0.290 18.357 -6.768 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.203 20.267 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.077 17.540 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.956 18.496 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.615 20.330 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.327 19.701 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.397 17.768 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.307 19.234 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 49 3.172 17.128 -9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.893 19.391 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.229 20.275 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.563 18.724 -6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.884 19.890 -6.841 1.00 0.00 H new ATOM 847 N GLN A 50 -2.752 17.592 -7.210 1.00 0.00 N ATOM 848 CA GLN A 50 -4.048 16.927 -7.112 1.00 0.00 C ATOM 849 C GLN A 50 -5.016 17.853 -6.409 1.00 0.00 C ATOM 850 O GLN A 50 -6.145 17.983 -6.817 1.00 0.00 O ATOM 851 CB GLN A 50 -3.874 15.645 -6.282 1.00 0.00 C ATOM 852 CG GLN A 50 -5.227 14.950 -6.135 1.00 0.00 C ATOM 853 CD GLN A 50 -5.613 14.306 -7.469 1.00 0.00 C ATOM 854 OE1 GLN A 50 -6.055 15.066 -8.433 1.00 0.00 O flip ATOM 855 NE2 GLN A 50 -5.516 13.108 -7.645 1.00 0.00 N flip ATOM 0 H GLN A 50 -2.025 17.212 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.430 16.680 -8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.161 14.978 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.468 15.886 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.176 14.192 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.987 15.670 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.171 12.509 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.779 12.701 -8.543 1.00 0.00 H new ATOM 864 N VAL A 51 -4.554 18.497 -5.347 1.00 0.00 N ATOM 865 CA VAL A 51 -5.463 19.417 -4.636 1.00 0.00 C ATOM 866 C VAL A 51 -5.954 20.382 -5.640 1.00 0.00 C ATOM 867 O VAL A 51 -7.127 20.643 -5.765 1.00 0.00 O ATOM 868 CB VAL A 51 -4.710 20.169 -3.544 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.734 20.875 -2.638 1.00 0.00 C ATOM 870 CG2 VAL A 51 -3.901 19.168 -2.709 1.00 0.00 C ATOM 0 H VAL A 51 -3.611 18.416 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.280 18.867 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.036 20.901 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.210 21.418 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.323 21.574 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.395 20.133 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.360 19.700 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.577 18.443 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.190 18.648 -3.352 1.00 0.00 H new ATOM 880 N THR A 52 -5.024 20.885 -6.358 1.00 0.00 N ATOM 881 CA THR A 52 -5.339 21.839 -7.390 1.00 0.00 C ATOM 882 C THR A 52 -6.486 21.297 -8.207 1.00 0.00 C ATOM 883 O THR A 52 -7.481 21.952 -8.428 1.00 0.00 O ATOM 884 CB THR A 52 -4.120 21.922 -8.279 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.084 21.340 -7.523 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.666 23.361 -8.484 1.00 0.00 C ATOM 0 H THR A 52 -4.033 20.663 -6.263 1.00 0.00 H new ATOM 0 HA THR A 52 -5.606 22.811 -6.975 1.00 0.00 H new ATOM 0 HB THR A 52 -4.340 21.459 -9.241 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.248 21.824 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.787 23.377 -9.129 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.468 23.933 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.417 23.805 -7.520 1.00 0.00 H new ATOM 894 N ILE A 53 -6.304 20.079 -8.630 1.00 0.00 N ATOM 895 CA ILE A 53 -7.323 19.401 -9.437 1.00 0.00 C ATOM 896 C ILE A 53 -8.531 19.091 -8.570 1.00 0.00 C ATOM 897 O ILE A 53 -9.646 19.019 -9.042 1.00 0.00 O ATOM 898 CB ILE A 53 -6.675 18.096 -9.947 1.00 0.00 C ATOM 899 CG1 ILE A 53 -6.287 18.239 -11.414 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.651 16.907 -9.790 1.00 0.00 C ATOM 901 CD1 ILE A 53 -7.504 18.660 -12.254 1.00 0.00 C ATOM 0 H ILE A 53 -5.470 19.523 -8.440 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.659 20.019 -10.270 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.782 17.905 -9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.494 18.979 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.891 17.294 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.176 15.996 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.910 16.785 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.556 17.100 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.209 18.757 -13.299 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.285 17.905 -12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.882 19.617 -11.893 1.00 0.00 H new ATOM 913 N TRP A 54 -8.278 18.928 -7.309 1.00 0.00 N ATOM 914 CA TRP A 54 -9.366 18.626 -6.382 1.00 0.00 C ATOM 915 C TRP A 54 -10.296 19.789 -6.349 1.00 0.00 C ATOM 916 O TRP A 54 -11.497 19.638 -6.345 1.00 0.00 O ATOM 917 CB TRP A 54 -8.748 18.439 -4.995 1.00 0.00 C ATOM 918 CG TRP A 54 -9.578 17.486 -4.161 1.00 0.00 C ATOM 919 CD1 TRP A 54 -10.834 17.180 -4.406 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.084 16.749 -3.201 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.084 16.173 -3.543 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.007 15.839 -2.740 1.00 0.00 C ATOM 923 CE3 TRP A 54 -7.813 16.793 -2.642 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -9.655 14.963 -1.738 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -7.472 15.926 -1.648 1.00 0.00 C ATOM 926 CH2 TRP A 54 -8.380 15.009 -1.196 1.00 0.00 C ATOM 0 H TRP A 54 -7.352 18.994 -6.887 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.908 17.731 -6.686 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.733 18.054 -5.093 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.676 19.403 -4.491 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.504 17.627 -5.125 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -11.986 15.700 -3.487 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.093 17.516 -2.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -10.371 14.241 -1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -6.483 15.963 -1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -8.103 14.318 -0.414 1.00 0.00 H new ATOM 937 N PHE A 55 -9.721 20.950 -6.345 1.00 0.00 N ATOM 938 CA PHE A 55 -10.562 22.152 -6.315 1.00 0.00 C ATOM 939 C PHE A 55 -11.382 22.279 -7.589 1.00 0.00 C ATOM 940 O PHE A 55 -12.575 22.505 -7.545 1.00 0.00 O ATOM 941 CB PHE A 55 -9.648 23.352 -6.190 1.00 0.00 C ATOM 942 CG PHE A 55 -9.364 23.578 -4.720 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.887 22.545 -3.947 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.590 24.805 -4.137 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.636 22.727 -2.617 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.340 24.989 -2.800 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.862 23.951 -2.037 1.00 0.00 C ATOM 0 H PHE A 55 -8.714 21.112 -6.361 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.253 22.090 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.720 23.181 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.116 24.234 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.709 21.579 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.965 25.624 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.260 21.908 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.520 25.953 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.665 24.097 -0.985 1.00 0.00 H new ATOM 957 N GLN A 56 -10.730 22.132 -8.704 1.00 0.00 N ATOM 958 CA GLN A 56 -11.456 22.242 -9.986 1.00 0.00 C ATOM 959 C GLN A 56 -12.496 21.146 -10.110 1.00 0.00 C ATOM 960 O GLN A 56 -13.463 21.290 -10.826 1.00 0.00 O ATOM 961 CB GLN A 56 -10.454 22.082 -11.118 1.00 0.00 C ATOM 962 CG GLN A 56 -9.370 23.153 -10.988 1.00 0.00 C ATOM 963 CD GLN A 56 -8.494 23.141 -12.240 1.00 0.00 C ATOM 964 OE1 GLN A 56 -7.445 22.530 -12.274 1.00 0.00 O ATOM 965 NE2 GLN A 56 -8.887 23.803 -13.292 1.00 0.00 N ATOM 0 H GLN A 56 -9.731 21.941 -8.780 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.954 23.210 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.006 21.089 -11.085 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.958 22.173 -12.080 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.826 24.134 -10.859 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.762 22.965 -10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.767 24.318 -13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.315 23.805 -14.136 1.00 0.00 H new ATOM 974 N ASN A 57 -12.283 20.065 -9.406 1.00 0.00 N ATOM 975 CA ASN A 57 -13.254 18.959 -9.478 1.00 0.00 C ATOM 976 C ASN A 57 -14.378 19.270 -8.548 1.00 0.00 C ATOM 977 O ASN A 57 -15.528 18.996 -8.824 1.00 0.00 O ATOM 978 CB ASN A 57 -12.574 17.655 -9.032 1.00 0.00 C ATOM 979 CG ASN A 57 -13.294 16.468 -9.678 1.00 0.00 C ATOM 980 OD1 ASN A 57 -14.405 16.587 -10.155 1.00 0.00 O ATOM 981 ND2 ASN A 57 -12.695 15.308 -9.717 1.00 0.00 N ATOM 0 H ASN A 57 -11.483 19.910 -8.792 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.622 18.842 -10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.523 17.661 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.604 17.567 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.160 14.508 -10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.762 15.202 -9.318 1.00 0.00 H new ATOM 988 N ARG A 58 -14.023 19.841 -7.447 1.00 0.00 N ATOM 989 CA ARG A 58 -15.037 20.194 -6.470 1.00 0.00 C ATOM 990 C ARG A 58 -15.951 21.239 -7.081 1.00 0.00 C ATOM 991 O ARG A 58 -17.083 21.417 -6.660 1.00 0.00 O ATOM 992 CB ARG A 58 -14.325 20.788 -5.249 1.00 0.00 C ATOM 993 CG ARG A 58 -14.519 19.860 -4.045 1.00 0.00 C ATOM 994 CD ARG A 58 -15.955 19.979 -3.531 1.00 0.00 C ATOM 995 NE ARG A 58 -16.150 18.995 -2.428 1.00 0.00 N ATOM 996 CZ ARG A 58 -17.321 18.886 -1.862 1.00 0.00 C ATOM 997 NH1 ARG A 58 -18.391 19.124 -2.570 1.00 0.00 N ATOM 998 NH2 ARG A 58 -17.382 18.536 -0.606 1.00 0.00 N ATOM 0 H ARG A 58 -13.064 20.076 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.623 19.323 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.263 20.912 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.724 21.778 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.308 18.829 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.816 20.122 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.146 20.991 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.662 19.788 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.373 18.411 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.305 19.391 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.314 19.043 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.524 18.353 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.287 18.445 -0.145 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.451 21.896 -8.104 1.00 0.00 N ATOM 1013 CA ARG A 59 -16.272 22.930 -8.760 1.00 0.00 C ATOM 1014 C ARG A 59 -17.061 22.279 -9.859 1.00 0.00 C ATOM 1015 O ARG A 59 -18.152 22.684 -10.181 1.00 0.00 O ATOM 1016 CB ARG A 59 -15.340 23.994 -9.362 1.00 0.00 C ATOM 1017 CG ARG A 59 -16.169 24.984 -10.186 1.00 0.00 C ATOM 1018 CD ARG A 59 -17.228 25.632 -9.289 1.00 0.00 C ATOM 1019 NE ARG A 59 -16.604 26.000 -7.984 1.00 0.00 N ATOM 1020 CZ ARG A 59 -17.324 26.605 -7.077 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -18.365 27.293 -7.456 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -16.976 26.503 -5.824 1.00 0.00 N ATOM 0 H ARG A 59 -14.521 21.754 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.946 23.398 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.808 24.519 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.587 23.520 -9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.522 25.749 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.648 24.469 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.639 26.518 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.057 24.943 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.625 25.781 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.605 27.352 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.939 27.772 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.154 25.958 -5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.526 26.969 -5.102 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.482 21.263 -10.404 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.142 20.535 -11.485 1.00 0.00 C ATOM 1038 C VAL A 60 -18.280 19.707 -10.906 1.00 0.00 C ATOM 1039 O VAL A 60 -19.184 19.295 -11.607 1.00 0.00 O ATOM 1040 CB VAL A 60 -16.074 19.618 -12.125 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.351 18.145 -11.788 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.093 19.800 -13.643 1.00 0.00 C ATOM 0 H VAL A 60 -15.565 20.905 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.559 21.210 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.097 19.891 -11.727 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.588 17.517 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.330 18.009 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.332 17.863 -12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.341 19.154 -14.096 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.078 19.536 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.874 20.839 -13.888 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.202 19.482 -9.620 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.250 18.692 -8.947 1.00 0.00 C ATOM 1054 C LYS A 61 -20.361 19.595 -8.422 1.00 0.00 C ATOM 1055 O LYS A 61 -21.506 19.197 -8.356 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.611 17.956 -7.756 1.00 0.00 C ATOM 1057 CG LYS A 61 -18.452 16.475 -8.104 1.00 0.00 C ATOM 1058 CD LYS A 61 -18.145 15.690 -6.827 1.00 0.00 C ATOM 1059 CE LYS A 61 -17.096 16.450 -6.010 1.00 0.00 C ATOM 1060 NZ LYS A 61 -15.950 16.846 -6.876 1.00 0.00 N ATOM 0 H LYS A 61 -17.452 19.816 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.679 17.990 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.640 18.393 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -19.233 18.068 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.364 16.098 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.648 16.343 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.054 15.557 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.778 14.695 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.546 17.337 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.742 15.825 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.102 16.980 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.771 16.100 -7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.176 17.735 -7.366 1.00 0.00 H new ATOM 1074 N GLU A 62 -20.004 20.803 -8.057 1.00 0.00 N ATOM 1075 CA GLU A 62 -21.030 21.733 -7.538 1.00 0.00 C ATOM 1076 C GLU A 62 -21.920 22.228 -8.661 1.00 0.00 C ATOM 1077 O GLU A 62 -23.064 22.577 -8.445 1.00 0.00 O ATOM 1078 CB GLU A 62 -20.317 22.934 -6.911 1.00 0.00 C ATOM 1079 CG GLU A 62 -20.015 22.628 -5.445 1.00 0.00 C ATOM 1080 CD GLU A 62 -21.093 23.260 -4.562 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -21.205 24.472 -4.628 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -21.747 22.494 -3.871 1.00 0.00 O ATOM 0 H GLU A 62 -19.055 21.174 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.646 21.214 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.393 23.145 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.941 23.824 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.985 21.550 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.034 23.018 -5.175 1.00 0.00 H new