USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.17) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -127:sc= -0.339 (180deg=-7.37!) USER MOD Single : A 26 MET CE :methyl -154:sc= -1.48 (180deg=-3.83!) USER MOD Single : A 27 SER OG : rot 35:sc= 0.843 USER MOD Single : A 29 THR OG1 : rot 116:sc= 0.324 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= 0.959 (180deg=-0.0531) USER MOD Single : A 40 HIS : no HE2:sc= -0.59 K(o=-0.59,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 59 THR OG1 : rot -124:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.065 USER MOD Single : A 76 ASN : amide:sc=-0.00553 X(o=-0.0055,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 79 SER OG : rot -48:sc= 0.00505 USER MOD Single : A 82 SER OG : rot 12:sc= 1.14 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -15:sc= 0.744 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 157:sc= -0.435 (180deg=-0.472) USER MOD Single : A 104 ASN : amide:sc= -1 X(o=-1,f=-0.93) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.021 -20.597 15.472 1.00 0.00 N ATOM 256 CA LYS A 19 11.198 -19.635 16.195 1.00 0.00 C ATOM 257 C LYS A 19 10.452 -18.721 15.228 1.00 0.00 C ATOM 258 O LYS A 19 10.777 -18.659 14.042 1.00 0.00 O ATOM 259 CB LYS A 19 12.066 -18.798 17.138 1.00 0.00 C ATOM 260 CG LYS A 19 12.666 -19.596 18.282 1.00 0.00 C ATOM 261 CD LYS A 19 11.619 -19.946 19.327 1.00 0.00 C ATOM 262 CE LYS A 19 12.260 -20.314 20.656 1.00 0.00 C ATOM 263 NZ LYS A 19 11.257 -20.385 21.755 1.00 0.00 N ATOM 0 HA LYS A 19 10.465 -20.189 16.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.871 -18.339 16.565 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.464 -17.987 17.548 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.114 -20.511 17.893 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.467 -19.022 18.747 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.947 -19.100 19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.012 -20.779 18.971 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.764 -21.276 20.562 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.023 -19.577 20.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.743 -20.333 22.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.592 -19.590 21.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.734 -21.282 21.690 1.00 0.00 H new ATOM 277 N TYR A 20 9.453 -18.014 15.743 1.00 0.00 N ATOM 278 CA TYR A 20 8.660 -17.104 14.924 1.00 0.00 C ATOM 279 C TYR A 20 7.948 -16.071 15.792 1.00 0.00 C ATOM 280 O TYR A 20 7.593 -16.345 16.939 1.00 0.00 O ATOM 281 CB TYR A 20 7.636 -17.887 14.100 1.00 0.00 C ATOM 282 CG TYR A 20 6.240 -17.853 14.678 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.942 -18.513 15.864 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.218 -17.161 14.039 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.668 -18.486 16.396 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.941 -17.128 14.565 1.00 0.00 C ATOM 287 CZ TYR A 20 3.671 -17.792 15.743 1.00 0.00 C ATOM 288 OH TYR A 20 2.400 -17.761 16.270 1.00 0.00 O ATOM 0 H TYR A 20 9.173 -18.053 16.723 1.00 0.00 H new ATOM 0 HA TYR A 20 9.336 -16.580 14.248 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.611 -17.483 13.088 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.962 -18.924 14.021 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.720 -19.057 16.379 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.426 -16.640 13.116 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.454 -19.005 17.318 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.158 -16.585 14.056 1.00 0.00 H new ATOM 0 HH TYR A 20 1.818 -17.229 15.689 1.00 0.00 H new ATOM 298 N ILE A 21 7.741 -14.882 15.235 1.00 0.00 N ATOM 299 CA ILE A 21 7.070 -13.808 15.957 1.00 0.00 C ATOM 300 C ILE A 21 6.229 -12.955 15.014 1.00 0.00 C ATOM 301 O ILE A 21 5.802 -11.856 15.367 1.00 0.00 O ATOM 302 CB ILE A 21 8.081 -12.902 16.686 1.00 0.00 C ATOM 303 CG1 ILE A 21 9.100 -12.337 15.695 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.782 -13.676 17.792 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.958 -11.233 16.274 1.00 0.00 C ATOM 0 H ILE A 21 8.028 -14.639 14.287 1.00 0.00 H new ATOM 0 HA ILE A 21 6.420 -14.280 16.694 1.00 0.00 H new ATOM 0 HB ILE A 21 7.542 -12.069 17.137 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.745 -13.145 15.350 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.572 -11.955 14.821 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.493 -13.023 18.298 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.044 -14.034 18.510 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.312 -14.526 17.362 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.657 -10.880 15.516 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.322 -10.407 16.593 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.514 -11.615 17.130 1.00 0.00 H new ATOM 317 N GLY A 22 5.992 -13.469 13.811 1.00 0.00 N ATOM 318 CA GLY A 22 5.201 -12.742 12.835 1.00 0.00 C ATOM 319 C GLY A 22 5.652 -11.304 12.679 1.00 0.00 C ATOM 320 O GLY A 22 5.034 -10.389 13.225 1.00 0.00 O ATOM 0 H GLY A 22 6.334 -14.376 13.495 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.266 -13.246 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.153 -12.760 13.135 1.00 0.00 H new ATOM 324 N ILE A 23 6.733 -11.102 11.932 1.00 0.00 N ATOM 325 CA ILE A 23 7.266 -9.764 11.707 1.00 0.00 C ATOM 326 C ILE A 23 7.962 -9.671 10.353 1.00 0.00 C ATOM 327 O ILE A 23 8.688 -10.581 9.953 1.00 0.00 O ATOM 328 CB ILE A 23 8.261 -9.361 12.811 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.497 -10.262 12.768 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.594 -9.433 14.177 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.723 -9.579 12.204 1.00 0.00 C ATOM 0 H ILE A 23 7.256 -11.848 11.473 1.00 0.00 H new ATOM 0 HA ILE A 23 6.418 -9.079 11.726 1.00 0.00 H new ATOM 0 HB ILE A 23 8.578 -8.333 12.636 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.717 -10.611 13.777 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.273 -11.144 12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.310 -9.145 14.947 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.742 -8.754 14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.252 -10.451 14.362 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.560 -10.277 12.204 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.521 -9.254 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.972 -8.713 12.818 1.00 0.00 H new ATOM 343 N ARG A 24 7.736 -8.564 9.653 1.00 0.00 N ATOM 344 CA ARG A 24 8.341 -8.351 8.344 1.00 0.00 C ATOM 345 C ARG A 24 9.316 -7.178 8.380 1.00 0.00 C ATOM 346 O ARG A 24 8.959 -6.075 8.792 1.00 0.00 O ATOM 347 CB ARG A 24 7.259 -8.097 7.293 1.00 0.00 C ATOM 348 CG ARG A 24 6.231 -9.213 7.195 1.00 0.00 C ATOM 349 CD ARG A 24 5.601 -9.271 5.812 1.00 0.00 C ATOM 350 NE ARG A 24 5.029 -10.583 5.526 1.00 0.00 N ATOM 351 CZ ARG A 24 5.759 -11.663 5.268 1.00 0.00 C ATOM 352 NH1 ARG A 24 7.083 -11.586 5.261 1.00 0.00 N ATOM 353 NH2 ARG A 24 5.165 -12.822 5.016 1.00 0.00 N ATOM 0 H ARG A 24 7.138 -7.801 9.971 1.00 0.00 H new ATOM 0 HA ARG A 24 8.893 -9.252 8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.748 -7.163 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.733 -7.965 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.706 -10.168 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.454 -9.060 7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.823 -8.512 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.354 -9.032 5.061 1.00 0.00 H new ATOM 0 HE ARG A 24 4.013 -10.676 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.543 -10.696 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.641 -12.416 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.147 -12.885 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.726 -13.650 4.818 1.00 0.00 H new ATOM 367 N MET A 25 10.547 -7.424 7.946 1.00 0.00 N ATOM 368 CA MET A 25 11.573 -6.388 7.928 1.00 0.00 C ATOM 369 C MET A 25 12.384 -6.448 6.637 1.00 0.00 C ATOM 370 O MET A 25 12.468 -7.494 5.994 1.00 0.00 O ATOM 371 CB MET A 25 12.501 -6.537 9.135 1.00 0.00 C ATOM 372 CG MET A 25 11.764 -6.796 10.439 1.00 0.00 C ATOM 373 SD MET A 25 12.859 -6.776 11.871 1.00 0.00 S ATOM 374 CE MET A 25 13.746 -8.315 11.640 1.00 0.00 C ATOM 0 H MET A 25 10.859 -8.332 7.602 1.00 0.00 H new ATOM 0 HA MET A 25 11.076 -5.419 7.979 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.195 -7.357 8.950 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.098 -5.631 9.238 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.988 -6.042 10.569 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.263 -7.762 10.383 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.681 -8.913 12.549 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.306 -8.868 10.810 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.792 -8.102 11.420 1.00 0.00 H new ATOM 384 N MET A 26 12.980 -5.320 6.265 1.00 0.00 N ATOM 385 CA MET A 26 13.785 -5.246 5.051 1.00 0.00 C ATOM 386 C MET A 26 15.194 -4.750 5.363 1.00 0.00 C ATOM 387 O MET A 26 15.381 -3.875 6.208 1.00 0.00 O ATOM 388 CB MET A 26 13.122 -4.321 4.029 1.00 0.00 C ATOM 389 CG MET A 26 13.018 -2.877 4.492 1.00 0.00 C ATOM 390 SD MET A 26 13.793 -1.722 3.344 1.00 0.00 S ATOM 391 CE MET A 26 13.121 -0.167 3.924 1.00 0.00 C ATOM 0 H MET A 26 12.921 -4.445 6.786 1.00 0.00 H new ATOM 0 HA MET A 26 13.856 -6.249 4.630 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.689 -4.355 3.099 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.123 -4.695 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.967 -2.613 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.486 -2.779 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.106 0.551 3.104 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.106 -0.323 4.288 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.742 0.218 4.733 1.00 0.00 H new ATOM 401 N SER A 27 16.181 -5.316 4.676 1.00 0.00 N ATOM 402 CA SER A 27 17.573 -4.935 4.883 1.00 0.00 C ATOM 403 C SER A 27 17.743 -3.422 4.775 1.00 0.00 C ATOM 404 O SER A 27 17.654 -2.852 3.687 1.00 0.00 O ATOM 405 CB SER A 27 18.473 -5.635 3.863 1.00 0.00 C ATOM 406 OG SER A 27 18.130 -5.263 2.540 1.00 0.00 O ATOM 0 H SER A 27 16.042 -6.040 3.971 1.00 0.00 H new ATOM 0 HA SER A 27 17.864 -5.246 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.515 -5.380 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.383 -6.715 3.975 1.00 0.00 H new ATOM 0 HG SER A 27 17.844 -4.326 2.527 1.00 0.00 H new ATOM 412 N LEU A 28 17.990 -2.779 5.910 1.00 0.00 N ATOM 413 CA LEU A 28 18.173 -1.332 5.945 1.00 0.00 C ATOM 414 C LEU A 28 19.502 -0.936 5.308 1.00 0.00 C ATOM 415 O LEU A 28 20.557 -1.454 5.673 1.00 0.00 O ATOM 416 CB LEU A 28 18.115 -0.825 7.387 1.00 0.00 C ATOM 417 CG LEU A 28 17.149 0.330 7.655 1.00 0.00 C ATOM 418 CD1 LEU A 28 17.099 0.650 9.140 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.554 1.560 6.855 1.00 0.00 C ATOM 0 H LEU A 28 18.068 -3.236 6.818 1.00 0.00 H new ATOM 0 HA LEU A 28 17.366 -0.875 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.841 -1.659 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.116 -0.510 7.681 1.00 0.00 H new ATOM 0 HG LEU A 28 16.152 0.026 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.407 1.474 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.761 -0.228 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.093 0.934 9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.856 2.372 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.560 1.866 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.537 1.324 5.791 1.00 0.00 H new ATOM 431 N THR A 29 19.443 -0.011 4.354 1.00 0.00 N ATOM 432 CA THR A 29 20.640 0.455 3.667 1.00 0.00 C ATOM 433 C THR A 29 20.913 1.923 3.973 1.00 0.00 C ATOM 434 O THR A 29 19.995 2.685 4.279 1.00 0.00 O ATOM 435 CB THR A 29 20.519 0.275 2.142 1.00 0.00 C ATOM 436 OG1 THR A 29 19.606 1.238 1.606 1.00 0.00 O ATOM 437 CG2 THR A 29 20.042 -1.129 1.800 1.00 0.00 C ATOM 0 H THR A 29 18.578 0.430 4.040 1.00 0.00 H new ATOM 0 HA THR A 29 21.469 -0.150 4.032 1.00 0.00 H new ATOM 0 HB THR A 29 21.504 0.425 1.701 1.00 0.00 H new ATOM 0 HG1 THR A 29 20.085 1.842 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.964 -1.233 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.754 -1.859 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.066 -1.302 2.253 1.00 0.00 H new ATOM 445 N SER A 30 22.180 2.315 3.889 1.00 0.00 N ATOM 446 CA SER A 30 22.574 3.693 4.161 1.00 0.00 C ATOM 447 C SER A 30 21.771 4.666 3.304 1.00 0.00 C ATOM 448 O SER A 30 21.501 5.795 3.715 1.00 0.00 O ATOM 449 CB SER A 30 24.070 3.879 3.898 1.00 0.00 C ATOM 450 OG SER A 30 24.306 4.286 2.561 1.00 0.00 O ATOM 0 H SER A 30 22.952 1.698 3.635 1.00 0.00 H new ATOM 0 HA SER A 30 22.368 3.904 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.473 4.623 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.596 2.945 4.095 1.00 0.00 H new ATOM 0 HG SER A 30 25.269 4.400 2.419 1.00 0.00 H new ATOM 456 N SER A 31 21.391 4.221 2.111 1.00 0.00 N ATOM 457 CA SER A 31 20.622 5.053 1.193 1.00 0.00 C ATOM 458 C SER A 31 19.139 5.027 1.550 1.00 0.00 C ATOM 459 O SER A 31 18.428 6.018 1.375 1.00 0.00 O ATOM 460 CB SER A 31 20.820 4.578 -0.248 1.00 0.00 C ATOM 461 OG SER A 31 20.039 5.343 -1.149 1.00 0.00 O ATOM 0 H SER A 31 21.603 3.288 1.757 1.00 0.00 H new ATOM 0 HA SER A 31 20.982 6.078 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.873 4.656 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.547 3.526 -0.328 1.00 0.00 H new ATOM 0 HG SER A 31 20.184 5.021 -2.063 1.00 0.00 H new ATOM 467 N LYS A 32 18.677 3.887 2.052 1.00 0.00 N ATOM 468 CA LYS A 32 17.279 3.730 2.436 1.00 0.00 C ATOM 469 C LYS A 32 16.981 4.487 3.726 1.00 0.00 C ATOM 470 O LYS A 32 15.910 5.074 3.878 1.00 0.00 O ATOM 471 CB LYS A 32 16.941 2.247 2.612 1.00 0.00 C ATOM 472 CG LYS A 32 15.468 1.987 2.871 1.00 0.00 C ATOM 473 CD LYS A 32 14.626 2.264 1.637 1.00 0.00 C ATOM 474 CE LYS A 32 14.684 1.108 0.651 1.00 0.00 C ATOM 475 NZ LYS A 32 13.538 1.131 -0.299 1.00 0.00 N ATOM 0 H LYS A 32 19.251 3.057 2.203 1.00 0.00 H new ATOM 0 HA LYS A 32 16.660 4.146 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.245 1.705 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.524 1.846 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.330 0.951 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.126 2.615 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.592 2.439 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.978 3.175 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.619 1.153 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.684 0.165 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.614 0.327 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.646 1.062 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.552 2.020 -0.839 1.00 0.00 H new ATOM 489 N ALA A 33 17.935 4.471 4.650 1.00 0.00 N ATOM 490 CA ALA A 33 17.775 5.159 5.925 1.00 0.00 C ATOM 491 C ALA A 33 17.789 6.672 5.738 1.00 0.00 C ATOM 492 O ALA A 33 16.895 7.375 6.211 1.00 0.00 O ATOM 493 CB ALA A 33 18.869 4.735 6.894 1.00 0.00 C ATOM 0 H ALA A 33 18.827 3.989 4.540 1.00 0.00 H new ATOM 0 HA ALA A 33 16.807 4.880 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.737 5.256 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.811 3.659 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.844 4.985 6.475 1.00 0.00 H new ATOM 499 N LYS A 34 18.808 7.169 5.045 1.00 0.00 N ATOM 500 CA LYS A 34 18.938 8.599 4.794 1.00 0.00 C ATOM 501 C LYS A 34 17.686 9.149 4.117 1.00 0.00 C ATOM 502 O LYS A 34 17.371 10.331 4.243 1.00 0.00 O ATOM 503 CB LYS A 34 20.165 8.875 3.922 1.00 0.00 C ATOM 504 CG LYS A 34 21.417 9.200 4.719 1.00 0.00 C ATOM 505 CD LYS A 34 22.113 10.439 4.182 1.00 0.00 C ATOM 506 CE LYS A 34 22.942 10.122 2.947 1.00 0.00 C ATOM 507 NZ LYS A 34 23.853 11.243 2.587 1.00 0.00 N ATOM 0 H LYS A 34 19.556 6.602 4.647 1.00 0.00 H new ATOM 0 HA LYS A 34 19.061 9.101 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.359 8.004 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.945 9.706 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.154 9.354 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 34 22.102 8.353 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.370 11.198 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.756 10.860 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.528 9.221 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.278 9.910 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.400 10.987 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.292 12.097 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.504 11.429 3.377 1.00 0.00 H new ATOM 521 N GLU A 35 16.977 8.282 3.400 1.00 0.00 N ATOM 522 CA GLU A 35 15.760 8.683 2.705 1.00 0.00 C ATOM 523 C GLU A 35 14.529 8.417 3.567 1.00 0.00 C ATOM 524 O GLU A 35 13.501 9.080 3.422 1.00 0.00 O ATOM 525 CB GLU A 35 15.636 7.935 1.376 1.00 0.00 C ATOM 526 CG GLU A 35 16.781 8.209 0.414 1.00 0.00 C ATOM 527 CD GLU A 35 16.487 9.358 -0.531 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.538 9.238 -1.334 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.205 10.377 -0.466 1.00 0.00 O ATOM 0 H GLU A 35 17.224 7.299 3.286 1.00 0.00 H new ATOM 0 HA GLU A 35 15.820 9.753 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.588 6.864 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.697 8.213 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.683 8.433 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.986 7.309 -0.166 1.00 0.00 H new ATOM 536 N LEU A 36 14.640 7.443 4.463 1.00 0.00 N ATOM 537 CA LEU A 36 13.537 7.088 5.349 1.00 0.00 C ATOM 538 C LEU A 36 13.245 8.216 6.333 1.00 0.00 C ATOM 539 O LEU A 36 12.093 8.452 6.700 1.00 0.00 O ATOM 540 CB LEU A 36 13.861 5.802 6.110 1.00 0.00 C ATOM 541 CG LEU A 36 13.419 4.498 5.445 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.049 3.303 6.142 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.902 4.384 5.452 1.00 0.00 C ATOM 0 H LEU A 36 15.483 6.885 4.595 1.00 0.00 H new ATOM 0 HA LEU A 36 12.650 6.926 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.939 5.759 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.397 5.860 7.095 1.00 0.00 H new ATOM 0 HG LEU A 36 13.758 4.508 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.723 2.384 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.135 3.379 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.742 3.288 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.605 3.450 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.541 4.397 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.472 5.223 4.906 1.00 0.00 H new ATOM 555 N LYS A 37 14.295 8.911 6.757 1.00 0.00 N ATOM 556 CA LYS A 37 14.152 10.017 7.697 1.00 0.00 C ATOM 557 C LYS A 37 13.574 11.248 7.005 1.00 0.00 C ATOM 558 O LYS A 37 12.526 11.759 7.400 1.00 0.00 O ATOM 559 CB LYS A 37 15.506 10.359 8.322 1.00 0.00 C ATOM 560 CG LYS A 37 15.399 10.960 9.713 1.00 0.00 C ATOM 561 CD LYS A 37 16.713 10.853 10.469 1.00 0.00 C ATOM 562 CE LYS A 37 16.806 11.894 11.575 1.00 0.00 C ATOM 563 NZ LYS A 37 18.152 12.527 11.629 1.00 0.00 N ATOM 0 H LYS A 37 15.255 8.728 6.465 1.00 0.00 H new ATOM 0 HA LYS A 37 13.463 9.707 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.113 9.455 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.030 11.059 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.106 12.007 9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.614 10.450 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.807 9.855 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.544 10.982 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.050 12.662 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.586 11.425 12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.480 12.563 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.821 11.969 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.097 13.493 11.248 1.00 0.00 H new ATOM 577 N ASP A 38 14.263 11.718 5.971 1.00 0.00 N ATOM 578 CA ASP A 38 13.817 12.887 5.223 1.00 0.00 C ATOM 579 C ASP A 38 12.385 12.703 4.730 1.00 0.00 C ATOM 580 O ASP A 38 11.653 13.674 4.540 1.00 0.00 O ATOM 581 CB ASP A 38 14.748 13.147 4.038 1.00 0.00 C ATOM 582 CG ASP A 38 14.521 14.508 3.411 1.00 0.00 C ATOM 583 OD1 ASP A 38 13.477 14.691 2.751 1.00 0.00 O ATOM 584 OD2 ASP A 38 15.388 15.392 3.579 1.00 0.00 O ATOM 0 H ASP A 38 15.133 11.307 5.632 1.00 0.00 H new ATOM 0 HA ASP A 38 13.844 13.747 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.783 13.071 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.597 12.374 3.285 1.00 0.00 H new ATOM 589 N ARG A 39 11.992 11.450 4.524 1.00 0.00 N ATOM 590 CA ARG A 39 10.649 11.138 4.050 1.00 0.00 C ATOM 591 C ARG A 39 9.702 10.899 5.222 1.00 0.00 C ATOM 592 O ARG A 39 8.491 11.095 5.106 1.00 0.00 O ATOM 593 CB ARG A 39 10.678 9.906 3.144 1.00 0.00 C ATOM 594 CG ARG A 39 11.347 10.152 1.802 1.00 0.00 C ATOM 595 CD ARG A 39 11.348 8.898 0.942 1.00 0.00 C ATOM 596 NE ARG A 39 10.581 9.077 -0.288 1.00 0.00 N ATOM 597 CZ ARG A 39 10.455 8.138 -1.219 1.00 0.00 C ATOM 598 NH1 ARG A 39 11.042 6.960 -1.060 1.00 0.00 N ATOM 599 NH2 ARG A 39 9.739 8.376 -2.311 1.00 0.00 N ATOM 0 H ARG A 39 12.585 10.634 4.678 1.00 0.00 H new ATOM 0 HA ARG A 39 10.285 11.992 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.201 9.100 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.656 9.566 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.828 10.954 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.372 10.486 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.375 8.630 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.931 8.068 1.512 1.00 0.00 H new ATOM 0 HE ARG A 39 10.117 9.972 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.592 6.773 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.944 6.240 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.285 9.281 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.643 7.654 -3.025 1.00 0.00 H new ATOM 613 N HIS A 40 10.260 10.474 6.351 1.00 0.00 N ATOM 614 CA HIS A 40 9.465 10.209 7.545 1.00 0.00 C ATOM 615 C HIS A 40 10.052 10.922 8.759 1.00 0.00 C ATOM 616 O HIS A 40 10.978 10.422 9.398 1.00 0.00 O ATOM 617 CB HIS A 40 9.391 8.705 7.809 1.00 0.00 C ATOM 618 CG HIS A 40 9.069 7.897 6.590 1.00 0.00 C ATOM 619 ND1 HIS A 40 8.096 8.259 5.683 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.600 6.740 6.129 1.00 0.00 C ATOM 621 CE1 HIS A 40 8.040 7.359 4.718 1.00 0.00 C ATOM 622 NE2 HIS A 40 8.943 6.427 4.964 1.00 0.00 N ATOM 0 H HIS A 40 11.260 10.306 6.464 1.00 0.00 H new ATOM 0 HA HIS A 40 8.459 10.591 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.345 8.369 8.216 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.635 8.515 8.571 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.511 9.092 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.392 6.170 6.591 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.370 7.381 3.871 1.00 0.00 H new ATOM 630 N ARG A 41 9.508 12.094 9.070 1.00 0.00 N ATOM 631 CA ARG A 41 9.980 12.877 10.206 1.00 0.00 C ATOM 632 C ARG A 41 9.900 12.066 11.496 1.00 0.00 C ATOM 633 O ARG A 41 10.640 12.320 12.447 1.00 0.00 O ATOM 634 CB ARG A 41 9.157 14.159 10.346 1.00 0.00 C ATOM 635 CG ARG A 41 9.706 15.126 11.382 1.00 0.00 C ATOM 636 CD ARG A 41 10.911 15.886 10.852 1.00 0.00 C ATOM 637 NE ARG A 41 10.877 17.297 11.229 1.00 0.00 N ATOM 638 CZ ARG A 41 10.099 18.197 10.637 1.00 0.00 C ATOM 639 NH1 ARG A 41 9.295 17.835 9.647 1.00 0.00 N ATOM 640 NH2 ARG A 41 10.125 19.462 11.036 1.00 0.00 N ATOM 0 H ARG A 41 8.741 12.522 8.552 1.00 0.00 H new ATOM 0 HA ARG A 41 11.022 13.140 10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.115 14.661 9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.134 13.896 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.927 15.832 11.671 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.987 14.577 12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.824 15.430 11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.944 15.802 9.766 1.00 0.00 H new ATOM 0 HE ARG A 41 11.483 17.608 11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.272 16.863 9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.699 18.528 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.742 19.744 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.528 20.153 10.581 1.00 0.00 H new ATOM 654 N ASP A 42 8.998 11.091 11.521 1.00 0.00 N ATOM 655 CA ASP A 42 8.822 10.243 12.694 1.00 0.00 C ATOM 656 C ASP A 42 10.073 9.410 12.955 1.00 0.00 C ATOM 657 O ASP A 42 10.394 9.095 14.101 1.00 0.00 O ATOM 658 CB ASP A 42 7.613 9.324 12.508 1.00 0.00 C ATOM 659 CG ASP A 42 7.273 8.553 13.768 1.00 0.00 C ATOM 660 OD1 ASP A 42 7.160 9.185 14.840 1.00 0.00 O ATOM 661 OD2 ASP A 42 7.119 7.317 13.683 1.00 0.00 O ATOM 0 H ASP A 42 8.378 10.868 10.743 1.00 0.00 H new ATOM 0 HA ASP A 42 8.650 10.888 13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.751 9.919 12.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.815 8.622 11.699 1.00 0.00 H new ATOM 666 N PHE A 43 10.776 9.056 11.884 1.00 0.00 N ATOM 667 CA PHE A 43 11.992 8.258 11.997 1.00 0.00 C ATOM 668 C PHE A 43 12.959 8.879 13.001 1.00 0.00 C ATOM 669 O PHE A 43 13.140 10.096 13.055 1.00 0.00 O ATOM 670 CB PHE A 43 12.670 8.127 10.632 1.00 0.00 C ATOM 671 CG PHE A 43 13.167 6.740 10.340 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.283 5.735 9.982 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.517 6.442 10.423 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.738 4.458 9.713 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.978 5.167 10.155 1.00 0.00 C ATOM 676 CZ PHE A 43 14.087 4.173 9.799 1.00 0.00 C ATOM 0 H PHE A 43 10.525 9.309 10.928 1.00 0.00 H new ATOM 0 HA PHE A 43 11.714 7.266 12.353 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.965 8.423 9.855 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.508 8.822 10.583 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.227 5.952 9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.218 7.215 10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.039 3.683 9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.033 4.948 10.224 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.444 3.176 9.588 1.00 0.00 H new ATOM 686 N PRO A 44 13.595 8.025 13.816 1.00 0.00 N ATOM 687 CA PRO A 44 14.554 8.466 14.833 1.00 0.00 C ATOM 688 C PRO A 44 15.846 8.996 14.220 1.00 0.00 C ATOM 689 O PRO A 44 15.935 9.189 13.007 1.00 0.00 O ATOM 690 CB PRO A 44 14.827 7.193 15.638 1.00 0.00 C ATOM 691 CG PRO A 44 14.540 6.078 14.693 1.00 0.00 C ATOM 692 CD PRO A 44 13.426 6.562 13.807 1.00 0.00 C ATOM 0 HA PRO A 44 14.164 9.290 15.431 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.859 7.160 15.988 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.189 7.138 16.520 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.424 5.826 14.107 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.247 5.176 15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.508 6.154 12.799 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.450 6.268 14.192 1.00 0.00 H new ATOM 700 N ASP A 45 16.844 9.227 15.064 1.00 0.00 N ATOM 701 CA ASP A 45 18.133 9.733 14.605 1.00 0.00 C ATOM 702 C ASP A 45 19.109 8.588 14.356 1.00 0.00 C ATOM 703 O ASP A 45 20.281 8.667 14.724 1.00 0.00 O ATOM 704 CB ASP A 45 18.718 10.705 15.631 1.00 0.00 C ATOM 705 CG ASP A 45 19.791 11.597 15.037 1.00 0.00 C ATOM 706 OD1 ASP A 45 19.454 12.445 14.185 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.968 11.447 15.426 1.00 0.00 O ATOM 0 H ASP A 45 16.786 9.072 16.071 1.00 0.00 H new ATOM 0 HA ASP A 45 17.974 10.261 13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.919 11.324 16.037 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.138 10.141 16.463 1.00 0.00 H new ATOM 712 N VAL A 46 18.617 7.523 13.730 1.00 0.00 N ATOM 713 CA VAL A 46 19.446 6.361 13.432 1.00 0.00 C ATOM 714 C VAL A 46 19.315 5.954 11.969 1.00 0.00 C ATOM 715 O VAL A 46 18.375 6.358 11.283 1.00 0.00 O ATOM 716 CB VAL A 46 19.072 5.162 14.323 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.121 5.552 15.792 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.696 4.630 13.950 1.00 0.00 C ATOM 0 H VAL A 46 17.649 7.441 13.420 1.00 0.00 H new ATOM 0 HA VAL A 46 20.478 6.647 13.635 1.00 0.00 H new ATOM 0 HB VAL A 46 19.801 4.368 14.158 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.854 4.692 16.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.128 5.881 16.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.416 6.363 15.977 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.448 3.783 14.590 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.953 5.416 14.085 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.700 4.309 12.908 1.00 0.00 H new ATOM 728 N ILE A 47 20.263 5.152 11.497 1.00 0.00 N ATOM 729 CA ILE A 47 20.253 4.689 10.115 1.00 0.00 C ATOM 730 C ILE A 47 20.964 3.346 9.980 1.00 0.00 C ATOM 731 O ILE A 47 21.522 3.030 8.929 1.00 0.00 O ATOM 732 CB ILE A 47 20.923 5.708 9.174 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.268 6.157 9.748 1.00 0.00 C ATOM 734 CG2 ILE A 47 20.009 6.904 8.954 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.223 6.691 8.703 1.00 0.00 C ATOM 0 H ILE A 47 21.048 4.809 12.051 1.00 0.00 H new ATOM 0 HA ILE A 47 19.208 4.575 9.828 1.00 0.00 H new ATOM 0 HB ILE A 47 21.102 5.230 8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.094 6.929 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.735 5.315 10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.495 7.616 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.073 6.569 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.803 7.385 9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.156 6.990 9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.426 5.915 7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.776 7.553 8.208 1.00 0.00 H new ATOM 747 N SER A 48 20.938 2.559 11.051 1.00 0.00 N ATOM 748 CA SER A 48 21.582 1.250 11.053 1.00 0.00 C ATOM 749 C SER A 48 20.867 0.295 12.004 1.00 0.00 C ATOM 750 O SER A 48 20.894 0.478 13.221 1.00 0.00 O ATOM 751 CB SER A 48 23.052 1.383 11.454 1.00 0.00 C ATOM 752 OG SER A 48 23.720 2.331 10.639 1.00 0.00 O ATOM 0 H SER A 48 20.478 2.805 11.928 1.00 0.00 H new ATOM 0 HA SER A 48 21.524 0.841 10.044 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.121 1.685 12.499 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.544 0.414 11.369 1.00 0.00 H new ATOM 0 HG SER A 48 24.657 2.398 10.917 1.00 0.00 H new ATOM 758 N GLY A 49 20.229 -0.725 11.440 1.00 0.00 N ATOM 759 CA GLY A 49 19.516 -1.694 12.251 1.00 0.00 C ATOM 760 C GLY A 49 18.488 -2.473 11.454 1.00 0.00 C ATOM 761 O GLY A 49 18.685 -2.742 10.269 1.00 0.00 O ATOM 0 H GLY A 49 20.193 -0.898 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.230 -2.388 12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.020 -1.180 13.074 1.00 0.00 H new ATOM 765 N ALA A 50 17.389 -2.839 12.106 1.00 0.00 N ATOM 766 CA ALA A 50 16.326 -3.591 11.451 1.00 0.00 C ATOM 767 C ALA A 50 15.066 -2.746 11.302 1.00 0.00 C ATOM 768 O ALA A 50 14.487 -2.297 12.291 1.00 0.00 O ATOM 769 CB ALA A 50 16.022 -4.862 12.229 1.00 0.00 C ATOM 0 H ALA A 50 17.212 -2.627 13.088 1.00 0.00 H new ATOM 0 HA ALA A 50 16.670 -3.862 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.226 -5.414 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.918 -5.481 12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.704 -4.603 13.239 1.00 0.00 H new ATOM 775 N TYR A 51 14.647 -2.531 10.060 1.00 0.00 N ATOM 776 CA TYR A 51 13.457 -1.736 9.781 1.00 0.00 C ATOM 777 C TYR A 51 12.216 -2.621 9.707 1.00 0.00 C ATOM 778 O TYR A 51 12.154 -3.556 8.907 1.00 0.00 O ATOM 779 CB TYR A 51 13.627 -0.966 8.471 1.00 0.00 C ATOM 780 CG TYR A 51 12.383 -0.222 8.040 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.974 0.929 8.702 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.617 -0.670 6.971 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.838 1.612 8.312 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.481 0.007 6.573 1.00 0.00 C ATOM 785 CZ TYR A 51 10.095 1.147 7.247 1.00 0.00 C ATOM 786 OH TYR A 51 8.963 1.824 6.855 1.00 0.00 O ATOM 0 H TYR A 51 15.114 -2.896 9.230 1.00 0.00 H new ATOM 0 HA TYR A 51 13.327 -1.025 10.597 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.446 -0.255 8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.914 -1.663 7.684 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.554 1.296 9.536 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.915 -1.563 6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.534 2.505 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.898 -0.354 5.739 1.00 0.00 H new ATOM 0 HH TYR A 51 8.557 1.366 6.090 1.00 0.00 H new ATOM 796 N ILE A 52 11.230 -2.319 10.545 1.00 0.00 N ATOM 797 CA ILE A 52 9.990 -3.084 10.573 1.00 0.00 C ATOM 798 C ILE A 52 8.970 -2.514 9.595 1.00 0.00 C ATOM 799 O ILE A 52 8.567 -1.356 9.707 1.00 0.00 O ATOM 800 CB ILE A 52 9.375 -3.107 11.985 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.364 -3.705 12.987 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.073 -3.895 11.983 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.839 -3.743 14.405 1.00 0.00 C ATOM 0 H ILE A 52 11.266 -1.550 11.214 1.00 0.00 H new ATOM 0 HA ILE A 52 10.241 -4.103 10.278 1.00 0.00 H new ATOM 0 HB ILE A 52 9.157 -2.082 12.286 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.617 -4.718 12.675 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.286 -3.125 12.965 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.651 -3.902 12.988 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.367 -3.429 11.296 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.268 -4.919 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.593 -4.179 15.061 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.612 -2.730 14.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.933 -4.348 14.441 1.00 0.00 H new ATOM 815 N ILE A 53 8.554 -3.335 8.637 1.00 0.00 N ATOM 816 CA ILE A 53 7.577 -2.914 7.640 1.00 0.00 C ATOM 817 C ILE A 53 6.160 -3.280 8.069 1.00 0.00 C ATOM 818 O ILE A 53 5.195 -2.626 7.677 1.00 0.00 O ATOM 819 CB ILE A 53 7.865 -3.547 6.266 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.343 -3.381 5.903 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.979 -2.923 5.199 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.721 -4.037 4.594 1.00 0.00 C ATOM 0 H ILE A 53 8.878 -4.296 8.530 1.00 0.00 H new ATOM 0 HA ILE A 53 7.660 -1.830 7.556 1.00 0.00 H new ATOM 0 HB ILE A 53 7.641 -4.612 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.578 -2.318 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.954 -3.802 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.195 -3.381 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.932 -3.088 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.175 -1.852 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.782 -3.879 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.518 -5.106 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.136 -3.599 3.785 1.00 0.00 H new ATOM 834 N GLU A 54 6.046 -4.329 8.878 1.00 0.00 N ATOM 835 CA GLU A 54 4.746 -4.781 9.361 1.00 0.00 C ATOM 836 C GLU A 54 4.905 -5.929 10.354 1.00 0.00 C ATOM 837 O GLU A 54 5.691 -6.851 10.134 1.00 0.00 O ATOM 838 CB GLU A 54 3.867 -5.223 8.189 1.00 0.00 C ATOM 839 CG GLU A 54 2.540 -5.825 8.618 1.00 0.00 C ATOM 840 CD GLU A 54 1.403 -5.455 7.684 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.672 -5.222 6.487 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.246 -5.398 8.151 1.00 0.00 O ATOM 0 H GLU A 54 6.836 -4.881 9.212 1.00 0.00 H new ATOM 0 HA GLU A 54 4.265 -3.946 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.676 -4.365 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.412 -5.954 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.634 -6.910 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.301 -5.488 9.627 1.00 0.00 H new ATOM 849 N VAL A 55 4.152 -5.866 11.448 1.00 0.00 N ATOM 850 CA VAL A 55 4.207 -6.899 12.475 1.00 0.00 C ATOM 851 C VAL A 55 2.896 -7.674 12.546 1.00 0.00 C ATOM 852 O VAL A 55 1.887 -7.162 13.033 1.00 0.00 O ATOM 853 CB VAL A 55 4.512 -6.299 13.860 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.666 -7.400 14.898 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.762 -5.432 13.801 1.00 0.00 C ATOM 0 H VAL A 55 3.497 -5.110 11.645 1.00 0.00 H new ATOM 0 HA VAL A 55 5.013 -7.578 12.197 1.00 0.00 H new ATOM 0 HB VAL A 55 3.673 -5.669 14.156 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.881 -6.956 15.870 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.742 -7.975 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.485 -8.059 14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.963 -5.016 14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.610 -6.038 13.483 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.609 -4.621 13.090 1.00 0.00 H new ATOM 865 N ILE A 56 2.918 -8.910 12.059 1.00 0.00 N ATOM 866 CA ILE A 56 1.731 -9.755 12.069 1.00 0.00 C ATOM 867 C ILE A 56 1.084 -9.778 13.450 1.00 0.00 C ATOM 868 O ILE A 56 1.753 -9.918 14.474 1.00 0.00 O ATOM 869 CB ILE A 56 2.064 -11.199 11.648 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.765 -11.207 10.288 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.799 -12.043 11.603 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.989 -10.492 9.204 1.00 0.00 C ATOM 0 H ILE A 56 3.745 -9.348 11.653 1.00 0.00 H new ATOM 0 HA ILE A 56 1.033 -9.326 11.350 1.00 0.00 H new ATOM 0 HB ILE A 56 2.739 -11.631 12.387 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.745 -10.740 10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.934 -12.239 9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.051 -13.060 11.304 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.337 -12.059 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.102 -11.615 10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.546 -10.537 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.019 -10.972 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.842 -9.450 9.489 1.00 0.00 H new ATOM 884 N PRO A 57 -0.250 -9.638 13.481 1.00 0.00 N ATOM 885 CA PRO A 57 -1.017 -9.641 14.730 1.00 0.00 C ATOM 886 C PRO A 57 -1.048 -11.016 15.388 1.00 0.00 C ATOM 887 O PRO A 57 -0.714 -12.022 14.762 1.00 0.00 O ATOM 888 CB PRO A 57 -2.423 -9.231 14.284 1.00 0.00 C ATOM 889 CG PRO A 57 -2.499 -9.636 12.852 1.00 0.00 C ATOM 890 CD PRO A 57 -1.111 -9.467 12.299 1.00 0.00 C ATOM 0 HA PRO A 57 -0.581 -8.978 15.477 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.188 -9.731 14.878 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.579 -8.159 14.401 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.834 -10.669 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.213 -9.017 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.891 -10.209 11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.977 -8.486 11.843 1.00 0.00 H new ATOM 898 N ASP A 58 -1.451 -11.053 16.653 1.00 0.00 N ATOM 899 CA ASP A 58 -1.526 -12.305 17.396 1.00 0.00 C ATOM 900 C ASP A 58 -0.142 -12.924 17.561 1.00 0.00 C ATOM 901 O ASP A 58 -0.003 -14.143 17.672 1.00 0.00 O ATOM 902 CB ASP A 58 -2.457 -13.289 16.685 1.00 0.00 C ATOM 903 CG ASP A 58 -3.047 -14.316 17.632 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.746 -13.911 18.584 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.809 -15.524 17.422 1.00 0.00 O ATOM 0 H ASP A 58 -1.731 -10.229 17.186 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.927 -12.088 18.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.264 -12.737 16.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.906 -13.801 15.896 1.00 0.00 H new ATOM 910 N THR A 59 0.882 -12.076 17.575 1.00 0.00 N ATOM 911 CA THR A 59 2.256 -12.539 17.723 1.00 0.00 C ATOM 912 C THR A 59 2.911 -11.929 18.957 1.00 0.00 C ATOM 913 O THR A 59 2.510 -10.873 19.445 1.00 0.00 O ATOM 914 CB THR A 59 3.102 -12.193 16.483 1.00 0.00 C ATOM 915 OG1 THR A 59 3.241 -10.773 16.365 1.00 0.00 O ATOM 916 CG2 THR A 59 2.465 -12.752 15.220 1.00 0.00 C ATOM 0 H THR A 59 0.785 -11.065 17.486 1.00 0.00 H new ATOM 0 HA THR A 59 2.214 -13.622 17.835 1.00 0.00 H new ATOM 0 HB THR A 59 4.086 -12.645 16.605 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.929 -10.486 15.481 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.080 -12.495 14.358 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.388 -13.836 15.301 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.470 -12.326 15.095 1.00 0.00 H new ATOM 924 N PRO A 60 3.945 -12.609 19.476 1.00 0.00 N ATOM 925 CA PRO A 60 4.678 -12.152 20.660 1.00 0.00 C ATOM 926 C PRO A 60 5.511 -10.906 20.380 1.00 0.00 C ATOM 927 O PRO A 60 6.084 -10.313 21.294 1.00 0.00 O ATOM 928 CB PRO A 60 5.586 -13.338 20.995 1.00 0.00 C ATOM 929 CG PRO A 60 5.765 -14.055 19.701 1.00 0.00 C ATOM 930 CD PRO A 60 4.477 -13.876 18.946 1.00 0.00 C ATOM 0 HA PRO A 60 4.007 -11.869 21.471 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.542 -13.003 21.398 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.132 -13.984 21.746 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.606 -13.645 19.141 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.977 -15.111 19.866 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.646 -13.823 17.870 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.790 -14.704 19.120 1.00 0.00 H new ATOM 938 N ALA A 61 5.574 -10.514 19.112 1.00 0.00 N ATOM 939 CA ALA A 61 6.336 -9.337 18.713 1.00 0.00 C ATOM 940 C ALA A 61 5.443 -8.102 18.649 1.00 0.00 C ATOM 941 O ALA A 61 5.906 -6.980 18.852 1.00 0.00 O ATOM 942 CB ALA A 61 7.009 -9.574 17.369 1.00 0.00 C ATOM 0 H ALA A 61 5.106 -10.994 18.343 1.00 0.00 H new ATOM 0 HA ALA A 61 7.105 -9.160 19.465 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.574 -8.687 17.084 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.685 -10.426 17.446 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.251 -9.779 16.614 1.00 0.00 H new ATOM 948 N GLU A 62 4.163 -8.317 18.365 1.00 0.00 N ATOM 949 CA GLU A 62 3.207 -7.219 18.273 1.00 0.00 C ATOM 950 C GLU A 62 2.855 -6.687 19.660 1.00 0.00 C ATOM 951 O GLU A 62 2.806 -5.477 19.877 1.00 0.00 O ATOM 952 CB GLU A 62 1.937 -7.679 17.555 1.00 0.00 C ATOM 953 CG GLU A 62 0.679 -6.969 18.027 1.00 0.00 C ATOM 954 CD GLU A 62 -0.424 -6.981 16.987 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.218 -6.408 15.897 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.493 -7.564 17.263 1.00 0.00 O ATOM 0 H GLU A 62 3.764 -9.240 18.195 1.00 0.00 H new ATOM 0 HA GLU A 62 3.669 -6.415 17.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.056 -7.516 16.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.815 -8.752 17.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.318 -7.445 18.939 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.922 -5.937 18.281 1.00 0.00 H new ATOM 963 N ALA A 63 2.611 -7.600 20.594 1.00 0.00 N ATOM 964 CA ALA A 63 2.266 -7.223 21.959 1.00 0.00 C ATOM 965 C ALA A 63 3.502 -6.780 22.735 1.00 0.00 C ATOM 966 O ALA A 63 3.413 -5.957 23.645 1.00 0.00 O ATOM 967 CB ALA A 63 1.581 -8.382 22.669 1.00 0.00 C ATOM 0 H ALA A 63 2.646 -8.606 20.430 1.00 0.00 H new ATOM 0 HA ALA A 63 1.576 -6.380 21.914 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.329 -8.087 23.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.671 -8.650 22.133 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.252 -9.240 22.696 1.00 0.00 H new ATOM 973 N GLY A 64 4.654 -7.333 22.370 1.00 0.00 N ATOM 974 CA GLY A 64 5.891 -6.983 23.043 1.00 0.00 C ATOM 975 C GLY A 64 6.192 -5.499 22.969 1.00 0.00 C ATOM 976 O GLY A 64 6.663 -4.905 23.938 1.00 0.00 O ATOM 0 H GLY A 64 4.753 -8.017 21.620 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.831 -7.287 24.088 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.714 -7.540 22.596 1.00 0.00 H new ATOM 980 N GLY A 65 5.919 -4.898 21.815 1.00 0.00 N ATOM 981 CA GLY A 65 6.172 -3.480 21.639 1.00 0.00 C ATOM 982 C GLY A 65 6.601 -3.138 20.226 1.00 0.00 C ATOM 983 O GLY A 65 6.402 -2.014 19.763 1.00 0.00 O ATOM 0 H GLY A 65 5.527 -5.368 20.999 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.270 -2.920 21.887 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.947 -3.163 22.337 1.00 0.00 H new ATOM 987 N LEU A 66 7.193 -4.109 19.538 1.00 0.00 N ATOM 988 CA LEU A 66 7.653 -3.905 18.169 1.00 0.00 C ATOM 989 C LEU A 66 6.499 -3.486 17.263 1.00 0.00 C ATOM 990 O LEU A 66 5.626 -4.292 16.939 1.00 0.00 O ATOM 991 CB LEU A 66 8.300 -5.183 17.632 1.00 0.00 C ATOM 992 CG LEU A 66 9.495 -5.714 18.425 1.00 0.00 C ATOM 993 CD1 LEU A 66 10.066 -6.957 17.761 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.565 -4.641 18.562 1.00 0.00 C ATOM 0 H LEU A 66 7.365 -5.045 19.906 1.00 0.00 H new ATOM 0 HA LEU A 66 8.394 -3.105 18.176 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.540 -5.963 17.593 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.622 -5.000 16.607 1.00 0.00 H new ATOM 0 HG LEU A 66 9.152 -5.985 19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.915 -7.321 18.339 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.299 -7.731 17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.393 -6.712 16.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.407 -5.037 19.129 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.905 -4.338 17.572 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.150 -3.778 19.083 1.00 0.00 H new ATOM 1006 N LYS A 67 6.503 -2.222 16.856 1.00 0.00 N ATOM 1007 CA LYS A 67 5.459 -1.696 15.984 1.00 0.00 C ATOM 1008 C LYS A 67 6.020 -1.357 14.606 1.00 0.00 C ATOM 1009 O LYS A 67 7.235 -1.308 14.417 1.00 0.00 O ATOM 1010 CB LYS A 67 4.824 -0.451 16.608 1.00 0.00 C ATOM 1011 CG LYS A 67 3.769 -0.766 17.654 1.00 0.00 C ATOM 1012 CD LYS A 67 2.367 -0.678 17.076 1.00 0.00 C ATOM 1013 CE LYS A 67 1.381 -0.112 18.087 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.674 -1.189 18.834 1.00 0.00 N ATOM 0 H LYS A 67 7.218 -1.542 17.116 1.00 0.00 H new ATOM 0 HA LYS A 67 4.696 -2.466 15.867 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.606 0.156 17.064 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.373 0.151 15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.937 -1.767 18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.864 -0.071 18.488 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.378 -0.049 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.039 -1.669 16.762 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.911 0.531 18.790 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.651 0.513 17.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.011 -0.763 19.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.148 -1.787 18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.368 -1.770 19.346 1.00 0.00 H new ATOM 1028 N GLU A 68 5.128 -1.123 13.650 1.00 0.00 N ATOM 1029 CA GLU A 68 5.536 -0.788 12.290 1.00 0.00 C ATOM 1030 C GLU A 68 6.384 0.480 12.274 1.00 0.00 C ATOM 1031 O GLU A 68 6.215 1.364 13.113 1.00 0.00 O ATOM 1032 CB GLU A 68 4.308 -0.605 11.396 1.00 0.00 C ATOM 1033 CG GLU A 68 4.606 -0.757 9.914 1.00 0.00 C ATOM 1034 CD GLU A 68 3.349 -0.894 9.077 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.506 -1.753 9.407 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.209 -0.140 8.091 1.00 0.00 O ATOM 0 H GLU A 68 4.118 -1.159 13.791 1.00 0.00 H new ATOM 0 HA GLU A 68 6.137 -1.612 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.549 -1.333 11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.884 0.383 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.174 0.108 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.236 -1.633 9.762 1.00 0.00 H new ATOM 1043 N ASN A 69 7.298 0.561 11.312 1.00 0.00 N ATOM 1044 CA ASN A 69 8.174 1.720 11.185 1.00 0.00 C ATOM 1045 C ASN A 69 9.073 1.858 12.411 1.00 0.00 C ATOM 1046 O ASN A 69 9.162 2.930 13.010 1.00 0.00 O ATOM 1047 CB ASN A 69 7.347 2.993 10.999 1.00 0.00 C ATOM 1048 CG ASN A 69 6.135 2.771 10.115 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.253 2.670 8.894 1.00 0.00 O ATOM 1050 ND2 ASN A 69 4.960 2.693 10.730 1.00 0.00 N ATOM 0 H ASN A 69 7.451 -0.162 10.609 1.00 0.00 H new ATOM 0 HA ASN A 69 8.804 1.574 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.021 3.357 11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.974 3.770 10.562 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.109 2.544 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.909 2.782 11.745 1.00 0.00 H new ATOM 1057 N ASP A 70 9.737 0.768 12.777 1.00 0.00 N ATOM 1058 CA ASP A 70 10.630 0.767 13.930 1.00 0.00 C ATOM 1059 C ASP A 70 12.061 0.449 13.508 1.00 0.00 C ATOM 1060 O ASP A 70 12.297 -0.068 12.416 1.00 0.00 O ATOM 1061 CB ASP A 70 10.154 -0.248 14.970 1.00 0.00 C ATOM 1062 CG ASP A 70 9.382 0.402 16.102 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.854 1.432 16.627 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.306 -0.120 16.463 1.00 0.00 O ATOM 0 H ASP A 70 9.674 -0.127 12.292 1.00 0.00 H new ATOM 0 HA ASP A 70 10.613 1.763 14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.523 -0.993 14.485 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.015 -0.777 15.378 1.00 0.00 H new ATOM 1069 N VAL A 71 13.013 0.762 14.381 1.00 0.00 N ATOM 1070 CA VAL A 71 14.421 0.509 14.100 1.00 0.00 C ATOM 1071 C VAL A 71 15.149 0.011 15.343 1.00 0.00 C ATOM 1072 O VAL A 71 15.327 0.753 16.310 1.00 0.00 O ATOM 1073 CB VAL A 71 15.126 1.776 13.579 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.535 1.449 13.109 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.316 2.414 12.460 1.00 0.00 C ATOM 0 H VAL A 71 12.835 1.191 15.289 1.00 0.00 H new ATOM 0 HA VAL A 71 14.456 -0.261 13.329 1.00 0.00 H new ATOM 0 HB VAL A 71 15.200 2.492 14.397 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.017 2.356 12.745 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.110 1.041 13.940 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.489 0.715 12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.828 3.308 12.104 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.209 1.705 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.329 2.687 12.835 1.00 0.00 H new ATOM 1085 N ILE A 72 15.569 -1.250 15.311 1.00 0.00 N ATOM 1086 CA ILE A 72 16.279 -1.847 16.435 1.00 0.00 C ATOM 1087 C ILE A 72 17.757 -1.473 16.412 1.00 0.00 C ATOM 1088 O ILE A 72 18.439 -1.658 15.404 1.00 0.00 O ATOM 1089 CB ILE A 72 16.149 -3.381 16.433 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.675 -3.790 16.489 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.915 -3.980 17.602 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.314 -4.886 15.511 1.00 0.00 C ATOM 0 H ILE A 72 15.430 -1.877 14.519 1.00 0.00 H new ATOM 0 HA ILE A 72 15.821 -1.454 17.342 1.00 0.00 H new ATOM 0 HB ILE A 72 16.579 -3.765 15.508 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.437 -4.123 17.499 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.056 -2.916 16.287 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.813 -5.065 17.586 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.969 -3.713 17.521 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.513 -3.591 18.538 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.255 -5.124 15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.520 -4.549 14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.907 -5.775 15.726 1.00 0.00 H new ATOM 1104 N ILE A 73 18.247 -0.949 17.531 1.00 0.00 N ATOM 1105 CA ILE A 73 19.645 -0.552 17.640 1.00 0.00 C ATOM 1106 C ILE A 73 20.444 -1.571 18.445 1.00 0.00 C ATOM 1107 O ILE A 73 21.659 -1.691 18.283 1.00 0.00 O ATOM 1108 CB ILE A 73 19.788 0.832 18.299 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.019 0.873 19.621 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.293 1.920 17.358 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.835 1.406 20.778 1.00 0.00 C ATOM 0 H ILE A 73 17.696 -0.790 18.375 1.00 0.00 H new ATOM 0 HA ILE A 73 20.039 -0.504 16.625 1.00 0.00 H new ATOM 0 HB ILE A 73 20.843 1.012 18.508 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.131 1.493 19.497 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.674 -0.132 19.863 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.400 2.893 17.838 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.880 1.902 16.440 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.243 1.746 17.121 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.227 1.407 21.682 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.709 0.773 20.929 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.158 2.423 20.557 1.00 0.00 H new ATOM 1123 N SER A 74 19.754 -2.306 19.311 1.00 0.00 N ATOM 1124 CA SER A 74 20.399 -3.314 20.144 1.00 0.00 C ATOM 1125 C SER A 74 19.385 -4.339 20.640 1.00 0.00 C ATOM 1126 O SER A 74 18.189 -4.057 20.719 1.00 0.00 O ATOM 1127 CB SER A 74 21.097 -2.653 21.334 1.00 0.00 C ATOM 1128 OG SER A 74 21.559 -3.623 22.258 1.00 0.00 O ATOM 0 H SER A 74 18.748 -2.222 19.454 1.00 0.00 H new ATOM 0 HA SER A 74 21.143 -3.829 19.536 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.936 -2.054 20.980 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.407 -1.972 21.832 1.00 0.00 H new ATOM 0 HG SER A 74 22.003 -3.175 23.008 1.00 0.00 H new ATOM 1134 N ILE A 75 19.871 -5.530 20.974 1.00 0.00 N ATOM 1135 CA ILE A 75 19.007 -6.597 21.463 1.00 0.00 C ATOM 1136 C ILE A 75 19.746 -7.491 22.455 1.00 0.00 C ATOM 1137 O ILE A 75 20.822 -8.007 22.158 1.00 0.00 O ATOM 1138 CB ILE A 75 18.473 -7.464 20.308 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.692 -6.602 19.314 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.597 -8.585 20.848 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.144 -7.382 18.139 1.00 0.00 C ATOM 0 H ILE A 75 20.858 -5.780 20.915 1.00 0.00 H new ATOM 0 HA ILE A 75 18.166 -6.117 21.965 1.00 0.00 H new ATOM 0 HB ILE A 75 19.320 -7.910 19.787 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.866 -6.118 19.835 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.342 -5.810 18.943 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.227 -9.189 20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.182 -9.212 21.521 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.754 -8.158 21.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.602 -6.708 17.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.967 -7.844 17.594 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.468 -8.157 18.500 1.00 0.00 H new ATOM 1153 N ASN A 76 19.158 -7.669 23.633 1.00 0.00 N ATOM 1154 CA ASN A 76 19.760 -8.501 24.669 1.00 0.00 C ATOM 1155 C ASN A 76 21.106 -7.934 25.109 1.00 0.00 C ATOM 1156 O ASN A 76 21.980 -8.667 25.569 1.00 0.00 O ATOM 1157 CB ASN A 76 19.939 -9.933 24.161 1.00 0.00 C ATOM 1158 CG ASN A 76 19.323 -10.959 25.094 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.700 -11.057 26.262 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.371 -11.729 24.580 1.00 0.00 N ATOM 0 H ASN A 76 18.266 -7.249 23.894 1.00 0.00 H new ATOM 0 HA ASN A 76 19.091 -8.508 25.529 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.486 -10.025 23.174 1.00 0.00 H new ATOM 0 HB3 ASN A 76 21.002 -10.144 24.044 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.920 -12.437 25.159 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.091 -11.612 23.606 1.00 0.00 H new ATOM 1167 N GLY A 77 21.264 -6.621 24.966 1.00 0.00 N ATOM 1168 CA GLY A 77 22.505 -5.977 25.354 1.00 0.00 C ATOM 1169 C GLY A 77 23.566 -6.065 24.274 1.00 0.00 C ATOM 1170 O GLY A 77 24.757 -5.928 24.553 1.00 0.00 O ATOM 0 H GLY A 77 20.555 -5.993 24.589 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.311 -4.929 25.584 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.881 -6.439 26.267 1.00 0.00 H new ATOM 1174 N GLN A 78 23.133 -6.296 23.039 1.00 0.00 N ATOM 1175 CA GLN A 78 24.055 -6.405 21.915 1.00 0.00 C ATOM 1176 C GLN A 78 23.578 -5.563 20.736 1.00 0.00 C ATOM 1177 O GLN A 78 22.496 -5.792 20.195 1.00 0.00 O ATOM 1178 CB GLN A 78 24.202 -7.866 21.487 1.00 0.00 C ATOM 1179 CG GLN A 78 25.584 -8.442 21.750 1.00 0.00 C ATOM 1180 CD GLN A 78 25.653 -9.227 23.045 1.00 0.00 C ATOM 1181 OE1 GLN A 78 25.296 -8.722 24.110 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.114 -10.469 22.961 1.00 0.00 N ATOM 0 H GLN A 78 22.150 -6.411 22.792 1.00 0.00 H new ATOM 0 HA GLN A 78 25.026 -6.029 22.237 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.461 -8.467 22.015 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.980 -7.948 20.423 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.867 -9.091 20.921 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.311 -7.631 21.782 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.399 -10.847 22.058 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.183 -11.045 23.800 1.00 0.00 H new ATOM 1191 N SER A 79 24.392 -4.589 20.343 1.00 0.00 N ATOM 1192 CA SER A 79 24.051 -3.710 19.230 1.00 0.00 C ATOM 1193 C SER A 79 24.010 -4.487 17.917 1.00 0.00 C ATOM 1194 O SER A 79 24.932 -5.238 17.598 1.00 0.00 O ATOM 1195 CB SER A 79 25.061 -2.566 19.128 1.00 0.00 C ATOM 1196 OG SER A 79 24.571 -1.395 19.759 1.00 0.00 O ATOM 0 H SER A 79 25.292 -4.388 20.778 1.00 0.00 H new ATOM 0 HA SER A 79 23.061 -3.295 19.417 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.002 -2.865 19.590 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.273 -2.356 18.080 1.00 0.00 H new ATOM 0 HG SER A 79 23.653 -1.223 19.462 1.00 0.00 H new ATOM 1202 N VAL A 80 22.934 -4.300 17.159 1.00 0.00 N ATOM 1203 CA VAL A 80 22.772 -4.981 15.880 1.00 0.00 C ATOM 1204 C VAL A 80 22.845 -3.995 14.720 1.00 0.00 C ATOM 1205 O VAL A 80 22.604 -2.800 14.890 1.00 0.00 O ATOM 1206 CB VAL A 80 21.433 -5.738 15.813 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.311 -6.712 16.976 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.268 -4.760 15.802 1.00 0.00 C ATOM 0 H VAL A 80 22.162 -3.682 17.409 1.00 0.00 H new ATOM 0 HA VAL A 80 23.590 -5.697 15.796 1.00 0.00 H new ATOM 0 HB VAL A 80 21.406 -6.311 14.886 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.358 -7.238 16.912 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.127 -7.433 16.934 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.360 -6.163 17.917 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.330 -5.312 15.754 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.289 -4.159 16.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.349 -4.107 14.933 1.00 0.00 H new ATOM 1218 N VAL A 81 23.178 -4.504 13.538 1.00 0.00 N ATOM 1219 CA VAL A 81 23.280 -3.669 12.347 1.00 0.00 C ATOM 1220 C VAL A 81 22.716 -4.384 11.124 1.00 0.00 C ATOM 1221 O VAL A 81 23.090 -4.085 9.990 1.00 0.00 O ATOM 1222 CB VAL A 81 24.741 -3.270 12.066 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.205 -2.211 13.055 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.646 -4.491 12.116 1.00 0.00 C ATOM 0 H VAL A 81 23.382 -5.491 13.380 1.00 0.00 H new ATOM 0 HA VAL A 81 22.695 -2.770 12.540 1.00 0.00 H new ATOM 0 HB VAL A 81 24.797 -2.846 11.063 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.239 -1.942 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.574 -1.327 12.965 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.135 -2.605 14.069 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.674 -4.190 11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.588 -4.947 13.104 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.326 -5.212 11.364 1.00 0.00 H new ATOM 1234 N SER A 82 21.813 -5.329 11.362 1.00 0.00 N ATOM 1235 CA SER A 82 21.199 -6.090 10.280 1.00 0.00 C ATOM 1236 C SER A 82 19.933 -6.792 10.761 1.00 0.00 C ATOM 1237 O SER A 82 19.897 -7.348 11.858 1.00 0.00 O ATOM 1238 CB SER A 82 22.187 -7.117 9.726 1.00 0.00 C ATOM 1239 OG SER A 82 23.146 -6.501 8.884 1.00 0.00 O ATOM 0 H SER A 82 21.490 -5.586 12.295 1.00 0.00 H new ATOM 0 HA SER A 82 20.928 -5.393 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.692 -7.621 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.647 -7.882 9.168 1.00 0.00 H new ATOM 0 HG SER A 82 23.092 -5.528 8.984 1.00 0.00 H new ATOM 1245 N ALA A 83 18.895 -6.762 9.931 1.00 0.00 N ATOM 1246 CA ALA A 83 17.628 -7.397 10.269 1.00 0.00 C ATOM 1247 C ALA A 83 17.802 -8.899 10.469 1.00 0.00 C ATOM 1248 O ALA A 83 16.984 -9.547 11.120 1.00 0.00 O ATOM 1249 CB ALA A 83 16.595 -7.124 9.185 1.00 0.00 C ATOM 0 H ALA A 83 18.907 -6.304 9.020 1.00 0.00 H new ATOM 0 HA ALA A 83 17.276 -6.970 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.653 -7.604 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.440 -6.049 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.950 -7.523 8.235 1.00 0.00 H new ATOM 1255 N ASN A 84 18.873 -9.446 9.903 1.00 0.00 N ATOM 1256 CA ASN A 84 19.154 -10.873 10.018 1.00 0.00 C ATOM 1257 C ASN A 84 19.777 -11.196 11.373 1.00 0.00 C ATOM 1258 O ASN A 84 19.672 -12.321 11.863 1.00 0.00 O ATOM 1259 CB ASN A 84 20.088 -11.323 8.893 1.00 0.00 C ATOM 1260 CG ASN A 84 19.419 -12.293 7.940 1.00 0.00 C ATOM 1261 OD1 ASN A 84 18.881 -11.895 6.907 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.451 -13.576 8.283 1.00 0.00 N ATOM 0 H ASN A 84 19.560 -8.923 9.360 1.00 0.00 H new ATOM 0 HA ASN A 84 18.211 -11.412 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.430 -10.450 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.972 -11.793 9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.018 -14.276 7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.908 -13.861 9.149 1.00 0.00 H new ATOM 1269 N ASP A 85 20.425 -10.204 11.972 1.00 0.00 N ATOM 1270 CA ASP A 85 21.064 -10.381 13.270 1.00 0.00 C ATOM 1271 C ASP A 85 20.032 -10.354 14.393 1.00 0.00 C ATOM 1272 O ASP A 85 20.119 -11.122 15.350 1.00 0.00 O ATOM 1273 CB ASP A 85 22.114 -9.293 13.499 1.00 0.00 C ATOM 1274 CG ASP A 85 23.519 -9.767 13.181 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.663 -10.650 12.310 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.473 -9.255 13.803 1.00 0.00 O ATOM 0 H ASP A 85 20.522 -9.268 11.579 1.00 0.00 H new ATOM 0 HA ASP A 85 21.554 -11.355 13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.877 -8.428 12.880 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.071 -8.964 14.537 1.00 0.00 H new ATOM 1281 N VAL A 86 19.054 -9.461 14.269 1.00 0.00 N ATOM 1282 CA VAL A 86 18.004 -9.333 15.272 1.00 0.00 C ATOM 1283 C VAL A 86 17.129 -10.580 15.315 1.00 0.00 C ATOM 1284 O VAL A 86 16.499 -10.875 16.330 1.00 0.00 O ATOM 1285 CB VAL A 86 17.116 -8.105 15.001 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.933 -6.825 15.089 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.442 -8.225 13.643 1.00 0.00 C ATOM 0 H VAL A 86 18.968 -8.816 13.484 1.00 0.00 H new ATOM 0 HA VAL A 86 18.500 -9.208 16.235 1.00 0.00 H new ATOM 0 HB VAL A 86 16.339 -8.064 15.764 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.288 -5.968 14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.364 -6.736 16.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.733 -6.852 14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.818 -7.349 13.468 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.202 -8.291 12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.822 -9.121 13.622 1.00 0.00 H new ATOM 1297 N SER A 87 17.094 -11.310 14.204 1.00 0.00 N ATOM 1298 CA SER A 87 16.293 -12.525 14.113 1.00 0.00 C ATOM 1299 C SER A 87 17.030 -13.710 14.731 1.00 0.00 C ATOM 1300 O SER A 87 16.411 -14.677 15.175 1.00 0.00 O ATOM 1301 CB SER A 87 15.952 -12.828 12.652 1.00 0.00 C ATOM 1302 OG SER A 87 17.127 -13.022 11.884 1.00 0.00 O ATOM 0 H SER A 87 17.611 -11.081 13.355 1.00 0.00 H new ATOM 0 HA SER A 87 15.369 -12.364 14.669 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.327 -13.720 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.371 -12.006 12.233 1.00 0.00 H new ATOM 0 HG SER A 87 17.902 -12.683 12.380 1.00 0.00 H new ATOM 1308 N ASP A 88 18.356 -13.626 14.754 1.00 0.00 N ATOM 1309 CA ASP A 88 19.179 -14.690 15.318 1.00 0.00 C ATOM 1310 C ASP A 88 18.883 -14.877 16.803 1.00 0.00 C ATOM 1311 O ASP A 88 18.739 -16.002 17.281 1.00 0.00 O ATOM 1312 CB ASP A 88 20.662 -14.378 15.116 1.00 0.00 C ATOM 1313 CG ASP A 88 21.177 -14.857 13.773 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.780 -15.961 13.344 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.976 -14.127 13.150 1.00 0.00 O ATOM 0 H ASP A 88 18.883 -12.833 14.389 1.00 0.00 H new ATOM 0 HA ASP A 88 18.937 -15.617 14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.819 -13.303 15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.241 -14.847 15.912 1.00 0.00 H new ATOM 1320 N VAL A 89 18.795 -13.766 17.528 1.00 0.00 N ATOM 1321 CA VAL A 89 18.517 -13.807 18.958 1.00 0.00 C ATOM 1322 C VAL A 89 17.216 -14.549 19.244 1.00 0.00 C ATOM 1323 O VAL A 89 17.053 -15.151 20.306 1.00 0.00 O ATOM 1324 CB VAL A 89 18.428 -12.390 19.554 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.278 -12.454 21.066 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.651 -11.572 19.166 1.00 0.00 C ATOM 0 H VAL A 89 18.912 -12.827 17.148 1.00 0.00 H new ATOM 0 HA VAL A 89 19.346 -14.338 19.426 1.00 0.00 H new ATOM 0 HB VAL A 89 17.545 -11.898 19.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.217 -11.443 21.469 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.370 -13.001 21.319 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.140 -12.964 21.496 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.572 -10.573 19.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.550 -12.059 19.544 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.709 -11.496 18.080 1.00 0.00 H new ATOM 1336 N ILE A 90 16.292 -14.502 18.290 1.00 0.00 N ATOM 1337 CA ILE A 90 15.006 -15.170 18.439 1.00 0.00 C ATOM 1338 C ILE A 90 15.189 -16.659 18.716 1.00 0.00 C ATOM 1339 O ILE A 90 14.569 -17.213 19.624 1.00 0.00 O ATOM 1340 CB ILE A 90 14.133 -14.998 17.181 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.980 -13.514 16.840 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.771 -15.642 17.390 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.134 -13.261 15.612 1.00 0.00 C ATOM 0 H ILE A 90 16.411 -14.008 17.406 1.00 0.00 H new ATOM 0 HA ILE A 90 14.504 -14.703 19.287 1.00 0.00 H new ATOM 0 HB ILE A 90 14.624 -15.495 16.344 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.535 -12.998 17.691 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.968 -13.081 16.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.166 -15.512 16.493 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.898 -16.706 17.591 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.271 -15.170 18.236 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.069 -12.188 15.430 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.589 -13.748 14.750 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.134 -13.664 15.770 1.00 0.00 H new ATOM 1355 N LYS A 91 16.046 -17.301 17.929 1.00 0.00 N ATOM 1356 CA LYS A 91 16.314 -18.725 18.091 1.00 0.00 C ATOM 1357 C LYS A 91 17.494 -18.952 19.031 1.00 0.00 C ATOM 1358 O LYS A 91 17.653 -20.037 19.591 1.00 0.00 O ATOM 1359 CB LYS A 91 16.599 -19.369 16.732 1.00 0.00 C ATOM 1360 CG LYS A 91 17.719 -18.692 15.962 1.00 0.00 C ATOM 1361 CD LYS A 91 18.540 -19.699 15.172 1.00 0.00 C ATOM 1362 CE LYS A 91 17.934 -19.959 13.802 1.00 0.00 C ATOM 1363 NZ LYS A 91 18.970 -20.331 12.799 1.00 0.00 N ATOM 0 H LYS A 91 16.567 -16.857 17.172 1.00 0.00 H new ATOM 0 HA LYS A 91 15.430 -19.189 18.527 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.855 -20.418 16.883 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.690 -19.346 16.131 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.298 -17.951 15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.367 -18.157 16.656 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.559 -19.329 15.056 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.602 -20.635 15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.197 -20.759 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.405 -19.068 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.517 -20.500 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.659 -19.558 12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.458 -21.196 13.109 1.00 0.00 H new ATOM 1377 N ARG A 92 18.318 -17.923 19.199 1.00 0.00 N ATOM 1378 CA ARG A 92 19.483 -18.011 20.071 1.00 0.00 C ATOM 1379 C ARG A 92 19.067 -17.985 21.539 1.00 0.00 C ATOM 1380 O ARG A 92 19.357 -18.913 22.293 1.00 0.00 O ATOM 1381 CB ARG A 92 20.450 -16.862 19.784 1.00 0.00 C ATOM 1382 CG ARG A 92 21.885 -17.158 20.187 1.00 0.00 C ATOM 1383 CD ARG A 92 22.719 -17.599 18.994 1.00 0.00 C ATOM 1384 NE ARG A 92 24.062 -18.017 19.389 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.965 -18.489 18.537 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.671 -18.602 17.249 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.165 -18.850 18.973 1.00 0.00 N ATOM 0 H ARG A 92 18.200 -17.018 18.743 1.00 0.00 H new ATOM 0 HA ARG A 92 19.985 -18.958 19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.421 -16.631 18.719 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.110 -15.971 20.312 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.329 -16.269 20.634 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.897 -17.938 20.949 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.218 -18.423 18.486 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.790 -16.780 18.279 1.00 0.00 H new ATOM 0 HE ARG A 92 24.320 -17.942 20.373 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.749 -18.326 16.910 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.367 -18.965 16.597 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.395 -18.765 19.963 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.858 -19.212 18.318 1.00 0.00 H new ATOM 1401 N GLU A 93 18.385 -16.915 21.937 1.00 0.00 N ATOM 1402 CA GLU A 93 17.931 -16.768 23.314 1.00 0.00 C ATOM 1403 C GLU A 93 16.414 -16.906 23.404 1.00 0.00 C ATOM 1404 O GLU A 93 15.692 -16.566 22.467 1.00 0.00 O ATOM 1405 CB GLU A 93 18.365 -15.412 23.876 1.00 0.00 C ATOM 1406 CG GLU A 93 19.807 -15.055 23.558 1.00 0.00 C ATOM 1407 CD GLU A 93 20.800 -15.970 24.248 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.596 -16.273 25.443 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.781 -16.382 23.595 1.00 0.00 O ATOM 0 H GLU A 93 18.135 -16.138 21.325 1.00 0.00 H new ATOM 0 HA GLU A 93 18.387 -17.561 23.906 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.711 -14.637 23.477 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.231 -15.417 24.958 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.961 -15.105 22.480 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.997 -14.025 23.859 1.00 0.00 H new ATOM 1416 N SER A 94 15.937 -17.408 24.539 1.00 0.00 N ATOM 1417 CA SER A 94 14.507 -17.596 24.751 1.00 0.00 C ATOM 1418 C SER A 94 13.775 -16.257 24.732 1.00 0.00 C ATOM 1419 O SER A 94 12.705 -16.129 24.136 1.00 0.00 O ATOM 1420 CB SER A 94 14.256 -18.308 26.081 1.00 0.00 C ATOM 1421 OG SER A 94 14.444 -19.707 25.954 1.00 0.00 O ATOM 0 H SER A 94 16.521 -17.692 25.326 1.00 0.00 H new ATOM 0 HA SER A 94 14.122 -18.213 23.939 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.931 -17.915 26.841 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.241 -18.104 26.421 1.00 0.00 H new ATOM 0 HG SER A 94 14.279 -20.139 26.818 1.00 0.00 H new ATOM 1427 N THR A 95 14.360 -15.261 25.390 1.00 0.00 N ATOM 1428 CA THR A 95 13.764 -13.932 25.451 1.00 0.00 C ATOM 1429 C THR A 95 14.424 -12.987 24.453 1.00 0.00 C ATOM 1430 O THR A 95 15.477 -13.296 23.893 1.00 0.00 O ATOM 1431 CB THR A 95 13.878 -13.330 26.864 1.00 0.00 C ATOM 1432 OG1 THR A 95 13.889 -14.375 27.842 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.722 -12.380 27.142 1.00 0.00 C ATOM 0 H THR A 95 15.246 -15.349 25.888 1.00 0.00 H new ATOM 0 HA THR A 95 12.710 -14.046 25.197 1.00 0.00 H new ATOM 0 HB THR A 95 14.811 -12.769 26.922 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.963 -13.984 28.738 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.824 -11.967 28.146 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.734 -11.570 26.413 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.779 -12.922 27.067 1.00 0.00 H new ATOM 1441 N LEU A 96 13.802 -11.834 24.236 1.00 0.00 N ATOM 1442 CA LEU A 96 14.330 -10.842 23.306 1.00 0.00 C ATOM 1443 C LEU A 96 14.216 -9.436 23.886 1.00 0.00 C ATOM 1444 O LEU A 96 13.159 -8.810 23.819 1.00 0.00 O ATOM 1445 CB LEU A 96 13.585 -10.918 21.972 1.00 0.00 C ATOM 1446 CG LEU A 96 13.463 -12.309 21.350 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.652 -12.249 20.064 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.841 -12.899 21.086 1.00 0.00 C ATOM 0 H LEU A 96 12.931 -11.563 24.692 1.00 0.00 H new ATOM 0 HA LEU A 96 15.385 -11.061 23.139 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.582 -10.517 22.116 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.090 -10.266 21.259 1.00 0.00 H new ATOM 0 HG LEU A 96 12.942 -12.957 22.055 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.576 -13.248 19.635 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.653 -11.870 20.281 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.145 -11.586 19.353 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.734 -13.889 20.643 1.00 0.00 H new ATOM 0 HD22 LEU A 96 15.388 -12.252 20.400 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.389 -12.979 22.025 1.00 0.00 H new ATOM 1460 N ASN A 97 15.313 -8.945 24.454 1.00 0.00 N ATOM 1461 CA ASN A 97 15.336 -7.612 25.045 1.00 0.00 C ATOM 1462 C ASN A 97 15.799 -6.574 24.027 1.00 0.00 C ATOM 1463 O ASN A 97 16.931 -6.094 24.086 1.00 0.00 O ATOM 1464 CB ASN A 97 16.255 -7.589 26.267 1.00 0.00 C ATOM 1465 CG ASN A 97 15.704 -8.405 27.420 1.00 0.00 C ATOM 1466 OD1 ASN A 97 14.854 -7.936 28.178 1.00 0.00 O ATOM 1467 ND2 ASN A 97 16.186 -9.635 27.559 1.00 0.00 N ATOM 0 H ASN A 97 16.197 -9.450 24.517 1.00 0.00 H new ATOM 0 HA ASN A 97 14.322 -7.362 25.357 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.235 -7.975 25.988 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.399 -6.558 26.591 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.852 -10.231 28.317 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.890 -9.984 26.908 1.00 0.00 H new ATOM 1474 N MET A 98 14.916 -6.232 23.094 1.00 0.00 N ATOM 1475 CA MET A 98 15.234 -5.249 22.065 1.00 0.00 C ATOM 1476 C MET A 98 15.101 -3.830 22.608 1.00 0.00 C ATOM 1477 O MET A 98 14.429 -3.600 23.613 1.00 0.00 O ATOM 1478 CB MET A 98 14.317 -5.432 20.854 1.00 0.00 C ATOM 1479 CG MET A 98 14.096 -6.888 20.474 1.00 0.00 C ATOM 1480 SD MET A 98 13.678 -7.094 18.732 1.00 0.00 S ATOM 1481 CE MET A 98 13.097 -8.789 18.722 1.00 0.00 C ATOM 0 H MET A 98 13.975 -6.621 23.030 1.00 0.00 H new ATOM 0 HA MET A 98 16.268 -5.405 21.756 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.353 -4.970 21.065 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.744 -4.903 20.002 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.997 -7.459 20.698 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.296 -7.302 21.087 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.441 -8.944 17.865 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.949 -9.465 18.654 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.547 -8.990 19.641 1.00 0.00 H new ATOM 1491 N VAL A 99 15.747 -2.882 21.937 1.00 0.00 N ATOM 1492 CA VAL A 99 15.700 -1.485 22.352 1.00 0.00 C ATOM 1493 C VAL A 99 15.501 -0.562 21.155 1.00 0.00 C ATOM 1494 O VAL A 99 16.457 -0.211 20.462 1.00 0.00 O ATOM 1495 CB VAL A 99 16.987 -1.076 23.093 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.869 0.344 23.625 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.285 -2.053 24.221 1.00 0.00 C ATOM 0 H VAL A 99 16.309 -3.056 21.104 1.00 0.00 H new ATOM 0 HA VAL A 99 14.852 -1.385 23.029 1.00 0.00 H new ATOM 0 HB VAL A 99 17.817 -1.106 22.387 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.788 0.615 24.145 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.706 1.031 22.795 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.029 0.405 24.317 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.197 -1.749 24.734 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.455 -2.057 24.928 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.416 -3.054 23.810 1.00 0.00 H new ATOM 1507 N VAL A 100 14.253 -0.171 20.917 1.00 0.00 N ATOM 1508 CA VAL A 100 13.928 0.714 19.804 1.00 0.00 C ATOM 1509 C VAL A 100 13.724 2.147 20.283 1.00 0.00 C ATOM 1510 O VAL A 100 13.340 2.381 21.429 1.00 0.00 O ATOM 1511 CB VAL A 100 12.660 0.245 19.067 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.436 0.405 19.955 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.488 1.011 17.764 1.00 0.00 C ATOM 0 H VAL A 100 13.450 -0.453 21.480 1.00 0.00 H new ATOM 0 HA VAL A 100 14.773 0.681 19.116 1.00 0.00 H new ATOM 0 HB VAL A 100 12.769 -0.813 18.828 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.550 0.068 19.417 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.561 -0.192 20.858 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.319 1.454 20.227 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.587 0.667 17.256 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.400 2.076 17.977 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.353 0.839 17.124 1.00 0.00 H new ATOM 1523 N ARG A 101 13.983 3.103 19.397 1.00 0.00 N ATOM 1524 CA ARG A 101 13.828 4.514 19.728 1.00 0.00 C ATOM 1525 C ARG A 101 12.453 5.024 19.307 1.00 0.00 C ATOM 1526 O ARG A 101 12.122 5.037 18.121 1.00 0.00 O ATOM 1527 CB ARG A 101 14.921 5.342 19.050 1.00 0.00 C ATOM 1528 CG ARG A 101 16.303 5.134 19.647 1.00 0.00 C ATOM 1529 CD ARG A 101 16.430 5.808 21.004 1.00 0.00 C ATOM 1530 NE ARG A 101 17.822 5.920 21.431 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.240 6.772 22.360 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.377 7.583 22.957 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.523 6.815 22.695 1.00 0.00 N ATOM 0 H ARG A 101 14.301 2.926 18.444 1.00 0.00 H new ATOM 0 HA ARG A 101 13.920 4.620 20.809 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.951 5.090 17.990 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.660 6.398 19.119 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.499 4.067 19.750 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.057 5.533 18.969 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.984 6.801 20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.868 5.240 21.745 1.00 0.00 H new ATOM 0 HE ARG A 101 18.511 5.310 20.991 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.390 7.553 22.703 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.701 8.236 23.670 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.190 6.193 22.239 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.842 7.470 23.409 1.00 0.00 H new ATOM 1547 N ARG A 102 11.658 5.442 20.286 1.00 0.00 N ATOM 1548 CA ARG A 102 10.318 5.951 20.017 1.00 0.00 C ATOM 1549 C ARG A 102 10.188 7.404 20.465 1.00 0.00 C ATOM 1550 O ARG A 102 10.323 7.714 21.648 1.00 0.00 O ATOM 1551 CB ARG A 102 9.271 5.092 20.728 1.00 0.00 C ATOM 1552 CG ARG A 102 8.221 4.514 19.793 1.00 0.00 C ATOM 1553 CD ARG A 102 7.664 3.202 20.324 1.00 0.00 C ATOM 1554 NE ARG A 102 8.223 2.047 19.627 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.929 0.789 19.935 1.00 0.00 C ATOM 1556 NH1 ARG A 102 7.084 0.526 20.923 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.479 -0.208 19.255 1.00 0.00 N ATOM 0 H ARG A 102 11.918 5.438 21.272 1.00 0.00 H new ATOM 0 HA ARG A 102 10.148 5.904 18.941 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.774 4.275 21.245 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.775 5.694 21.489 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.410 5.231 19.668 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.659 4.353 18.808 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.880 3.122 21.389 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.579 3.199 20.217 1.00 0.00 H new ATOM 0 HE ARG A 102 8.875 2.216 18.861 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.659 1.291 21.448 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.859 -0.441 21.158 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.129 -0.009 18.494 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.252 -1.174 19.493 1.00 0.00 H new ATOM 1571 N GLY A 103 9.927 8.292 19.510 1.00 0.00 N ATOM 1572 CA GLY A 103 9.784 9.701 19.826 1.00 0.00 C ATOM 1573 C GLY A 103 11.121 10.390 20.018 1.00 0.00 C ATOM 1574 O GLY A 103 11.634 11.031 19.102 1.00 0.00 O ATOM 0 H GLY A 103 9.812 8.060 18.523 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.235 10.196 19.025 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.190 9.808 20.733 1.00 0.00 H new ATOM 1578 N ASN A 104 11.685 10.260 21.215 1.00 0.00 N ATOM 1579 CA ASN A 104 12.969 10.877 21.525 1.00 0.00 C ATOM 1580 C ASN A 104 13.638 10.177 22.704 1.00 0.00 C ATOM 1581 O ASN A 104 14.345 10.805 23.492 1.00 0.00 O ATOM 1582 CB ASN A 104 12.781 12.363 21.840 1.00 0.00 C ATOM 1583 CG ASN A 104 12.655 13.208 20.587 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.646 13.490 19.913 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.432 13.616 20.270 1.00 0.00 N ATOM 0 H ASN A 104 11.273 9.733 21.985 1.00 0.00 H new ATOM 0 HA ASN A 104 13.613 10.776 20.652 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.889 12.492 22.453 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.627 12.716 22.430 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.285 14.187 19.438 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.640 13.358 20.858 1.00 0.00 H new ATOM 1592 N GLU A 105 13.411 8.872 22.817 1.00 0.00 N ATOM 1593 CA GLU A 105 13.992 8.087 23.900 1.00 0.00 C ATOM 1594 C GLU A 105 14.057 6.609 23.526 1.00 0.00 C ATOM 1595 O GLU A 105 13.514 6.192 22.503 1.00 0.00 O ATOM 1596 CB GLU A 105 13.177 8.264 25.183 1.00 0.00 C ATOM 1597 CG GLU A 105 11.676 8.163 24.969 1.00 0.00 C ATOM 1598 CD GLU A 105 10.890 8.366 26.250 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.885 7.448 27.096 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.279 9.445 26.405 1.00 0.00 O ATOM 0 H GLU A 105 12.829 8.337 22.172 1.00 0.00 H new ATOM 0 HA GLU A 105 15.007 8.446 24.071 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.484 7.508 25.906 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.409 9.235 25.620 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.366 8.907 24.235 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.437 7.185 24.551 1.00 0.00 H new ATOM 1607 N ASP A 106 14.725 5.822 24.362 1.00 0.00 N ATOM 1608 CA ASP A 106 14.861 4.390 24.121 1.00 0.00 C ATOM 1609 C ASP A 106 13.839 3.603 24.933 1.00 0.00 C ATOM 1610 O ASP A 106 13.567 3.928 26.090 1.00 0.00 O ATOM 1611 CB ASP A 106 16.276 3.925 24.469 1.00 0.00 C ATOM 1612 CG ASP A 106 16.591 4.085 25.944 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.492 5.222 26.452 1.00 0.00 O ATOM 1614 OD2 ASP A 106 16.936 3.074 26.589 1.00 0.00 O ATOM 0 H ASP A 106 15.181 6.151 25.213 1.00 0.00 H new ATOM 0 HA ASP A 106 14.677 4.205 23.063 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.391 2.878 24.187 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.997 4.494 23.882 1.00 0.00 H new ATOM 1619 N ILE A 107 13.275 2.567 24.321 1.00 0.00 N ATOM 1620 CA ILE A 107 12.282 1.734 24.988 1.00 0.00 C ATOM 1621 C ILE A 107 12.595 0.253 24.805 1.00 0.00 C ATOM 1622 O ILE A 107 12.904 -0.195 23.701 1.00 0.00 O ATOM 1623 CB ILE A 107 10.863 2.016 24.459 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.542 3.508 24.568 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.839 1.191 25.224 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.230 3.892 23.922 1.00 0.00 C ATOM 0 H ILE A 107 13.489 2.285 23.364 1.00 0.00 H new ATOM 0 HA ILE A 107 12.322 1.984 26.048 1.00 0.00 H new ATOM 0 HB ILE A 107 10.819 1.730 23.408 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.516 3.790 25.621 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.347 4.079 24.105 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.841 1.401 24.839 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.060 0.131 25.100 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.881 1.449 26.282 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.067 4.964 24.038 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.260 3.642 22.862 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.416 3.348 24.401 1.00 0.00 H new ATOM 1638 N MET A 108 12.512 -0.503 25.894 1.00 0.00 N ATOM 1639 CA MET A 108 12.784 -1.935 25.853 1.00 0.00 C ATOM 1640 C MET A 108 11.575 -2.703 25.328 1.00 0.00 C ATOM 1641 O MET A 108 10.433 -2.389 25.667 1.00 0.00 O ATOM 1642 CB MET A 108 13.160 -2.445 27.246 1.00 0.00 C ATOM 1643 CG MET A 108 14.611 -2.182 27.617 1.00 0.00 C ATOM 1644 SD MET A 108 15.221 -3.316 28.879 1.00 0.00 S ATOM 1645 CE MET A 108 16.886 -3.615 28.289 1.00 0.00 C ATOM 0 H MET A 108 12.259 -0.148 26.816 1.00 0.00 H new ATOM 0 HA MET A 108 13.621 -2.101 25.175 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.513 -1.972 27.984 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.969 -3.517 27.296 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.232 -2.269 26.725 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.710 -1.158 27.976 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.394 -4.301 28.967 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.845 -4.054 27.292 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.433 -2.673 28.249 1.00 0.00 H new ATOM 1655 N ILE A 109 11.833 -3.709 24.499 1.00 0.00 N ATOM 1656 CA ILE A 109 10.766 -4.521 23.928 1.00 0.00 C ATOM 1657 C ILE A 109 11.012 -6.006 24.175 1.00 0.00 C ATOM 1658 O ILE A 109 11.772 -6.650 23.450 1.00 0.00 O ATOM 1659 CB ILE A 109 10.623 -4.281 22.414 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.533 -2.782 22.120 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.400 -5.006 21.875 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.299 -2.126 22.698 1.00 0.00 C ATOM 0 H ILE A 109 12.772 -3.981 24.208 1.00 0.00 H new ATOM 0 HA ILE A 109 9.843 -4.221 24.424 1.00 0.00 H new ATOM 0 HB ILE A 109 11.506 -4.679 21.913 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.418 -2.288 22.520 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.543 -2.630 21.041 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.313 -4.826 20.803 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.502 -6.076 22.056 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.507 -4.636 22.378 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.302 -1.064 22.451 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.408 -2.594 22.279 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.297 -2.246 23.781 1.00 0.00 H new ATOM 1674 N THR A 110 10.364 -6.545 25.203 1.00 0.00 N ATOM 1675 CA THR A 110 10.512 -7.954 25.545 1.00 0.00 C ATOM 1676 C THR A 110 9.575 -8.823 24.715 1.00 0.00 C ATOM 1677 O THR A 110 8.354 -8.694 24.799 1.00 0.00 O ATOM 1678 CB THR A 110 10.233 -8.201 27.040 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.859 -7.184 27.830 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.745 -9.568 27.467 1.00 0.00 C ATOM 0 H THR A 110 9.732 -6.027 25.813 1.00 0.00 H new ATOM 0 HA THR A 110 11.544 -8.226 25.325 1.00 0.00 H new ATOM 0 HB THR A 110 9.155 -8.169 27.196 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.675 -7.347 28.779 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.537 -9.720 28.526 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.245 -10.342 26.884 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.820 -9.623 27.297 1.00 0.00 H new ATOM 1688 N VAL A 111 10.155 -9.710 23.912 1.00 0.00 N ATOM 1689 CA VAL A 111 9.371 -10.603 23.067 1.00 0.00 C ATOM 1690 C VAL A 111 9.651 -12.064 23.402 1.00 0.00 C ATOM 1691 O VAL A 111 10.784 -12.435 23.708 1.00 0.00 O ATOM 1692 CB VAL A 111 9.665 -10.365 21.574 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.923 -11.377 20.715 1.00 0.00 C ATOM 1694 CG2 VAL A 111 9.294 -8.944 21.178 1.00 0.00 C ATOM 0 H VAL A 111 11.165 -9.829 23.829 1.00 0.00 H new ATOM 0 HA VAL A 111 8.322 -10.383 23.263 1.00 0.00 H new ATOM 0 HB VAL A 111 10.734 -10.497 21.407 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.143 -11.193 19.664 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.243 -12.384 20.982 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.850 -11.280 20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.508 -8.793 20.120 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.232 -8.781 21.360 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.876 -8.238 21.770 1.00 0.00 H new ATOM 1704 N ILE A 112 8.610 -12.888 23.343 1.00 0.00 N ATOM 1705 CA ILE A 112 8.745 -14.309 23.638 1.00 0.00 C ATOM 1706 C ILE A 112 8.385 -15.160 22.425 1.00 0.00 C ATOM 1707 O ILE A 112 7.237 -15.566 22.239 1.00 0.00 O ATOM 1708 CB ILE A 112 7.854 -14.724 24.825 1.00 0.00 C ATOM 1709 CG1 ILE A 112 8.046 -13.759 25.996 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.169 -16.150 25.250 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.481 -13.651 26.462 1.00 0.00 C ATOM 0 H ILE A 112 7.665 -12.596 23.094 1.00 0.00 H new ATOM 0 HA ILE A 112 9.789 -14.479 23.900 1.00 0.00 H new ATOM 0 HB ILE A 112 6.811 -14.681 24.510 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.692 -12.770 25.703 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.425 -14.085 26.830 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.532 -16.429 26.089 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.987 -16.827 24.415 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.215 -16.218 25.550 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.541 -12.950 27.294 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.833 -14.630 26.786 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.104 -13.295 25.642 1.00 0.00 H new ATOM 1723 N PRO A 113 9.388 -15.438 21.579 1.00 0.00 N ATOM 1724 CA PRO A 113 9.202 -16.246 20.370 1.00 0.00 C ATOM 1725 C PRO A 113 8.932 -17.713 20.688 1.00 0.00 C ATOM 1726 O PRO A 113 9.471 -18.257 21.651 1.00 0.00 O ATOM 1727 CB PRO A 113 10.536 -16.095 19.634 1.00 0.00 C ATOM 1728 CG PRO A 113 11.525 -15.784 20.704 1.00 0.00 C ATOM 1729 CD PRO A 113 10.780 -14.987 21.738 1.00 0.00 C ATOM 0 HA PRO A 113 8.339 -15.918 19.790 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.801 -17.009 19.103 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.491 -15.298 18.892 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.933 -16.698 21.135 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.366 -15.216 20.305 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.154 -15.184 22.743 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.877 -13.915 21.566 1.00 0.00 H new ATOM 1737 N GLU A 114 8.095 -18.346 19.872 1.00 0.00 N ATOM 1738 CA GLU A 114 7.755 -19.750 20.068 1.00 0.00 C ATOM 1739 C GLU A 114 8.376 -20.618 18.977 1.00 0.00 C ATOM 1740 O GLU A 114 8.457 -20.212 17.819 1.00 0.00 O ATOM 1741 CB GLU A 114 6.236 -19.933 20.078 1.00 0.00 C ATOM 1742 CG GLU A 114 5.507 -18.925 20.950 1.00 0.00 C ATOM 1743 CD GLU A 114 4.466 -19.572 21.843 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.887 -20.600 21.433 1.00 0.00 O ATOM 1745 OE2 GLU A 114 4.229 -19.049 22.953 1.00 0.00 O ATOM 0 H GLU A 114 7.641 -17.909 19.070 1.00 0.00 H new ATOM 0 HA GLU A 114 8.158 -20.064 21.031 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.862 -19.855 19.057 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.002 -20.939 20.427 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.231 -18.394 21.568 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.024 -18.182 20.315 1.00 0.00 H new