USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 631 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 45 LYS NZ :NH3+ -129:sc= 0.292 (180deg=0) USER MOD Set 1.2: A 61 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.5!) USER MOD Set 1.3: A 63 SER OG : rot -63:sc= -0.346 USER MOD Set 2.1: A 40 TYR OH : rot -146:sc= 1.28 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 154:sc= 1.64 (180deg=0.272) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0.131 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0228 USER MOD Set 4.1: A 25 MET CE :methyl -174:sc= 0 (180deg=-0.0815) USER MOD Set 4.2: A 30 THR OG1 : rot -150:sc= -1.08 USER MOD Set 5.1: A 28 LYS NZ :NH3+ -134:sc= 0.153 (180deg=-0.226) USER MOD Set 5.2: A 58 TYR OH : rot 80:sc= 0.649 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -67:sc= -0.599 USER MOD Single : A 21 TYR OH : rot 70:sc= -1.01 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.266 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -69:sc= 0.796 USER MOD Single : A 41 GLN : amide:sc= 0.441 X(o=0.44,f=-0.055) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.94) USER MOD Single : A 51 THR OG1 : rot 123:sc= 0.54 USER MOD Single : A 52 SER OG : rot 176:sc= 0.913 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.97 K(o=-2,f=-0.38) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -177:sc= -0.922 (180deg=-1.01) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.03 K(o=-1,f=-10!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.727 K(o=0.73,f=-0.0037) USER MOD Single : A 77 GLN : amide:sc= -0.332 K(o=-0.33,f=-3.5!) USER MOD Single : A 80 SER OG : rot 4:sc= 1.16 USER MOD Single : A 81 GLN : amide:sc= -0.544 K(o=-0.54,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.125) USER MOD Single : A 87 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.13) USER MOD Single : A 88 THR OG1 : rot 116:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -5.804 -29.055 -0.282 1.00 0.00 N ATOM 221 CA TYR A 15 -6.945 -29.380 0.568 1.00 0.00 C ATOM 222 C TYR A 15 -8.076 -29.956 -0.290 1.00 0.00 C ATOM 223 O TYR A 15 -8.254 -29.535 -1.434 1.00 0.00 O ATOM 224 CB TYR A 15 -7.436 -28.131 1.315 1.00 0.00 C ATOM 225 CG TYR A 15 -6.458 -27.589 2.345 1.00 0.00 C ATOM 226 CD1 TYR A 15 -5.487 -26.655 1.996 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.515 -28.005 3.671 1.00 0.00 C ATOM 228 CE1 TYR A 15 -4.604 -26.156 2.935 1.00 0.00 C ATOM 229 CE2 TYR A 15 -5.636 -27.506 4.615 1.00 0.00 C ATOM 230 CZ TYR A 15 -4.684 -26.583 4.242 1.00 0.00 C ATOM 231 OH TYR A 15 -3.808 -26.086 5.182 1.00 0.00 O ATOM 0 HA TYR A 15 -6.635 -30.121 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.649 -27.348 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -8.376 -28.367 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.422 -26.314 0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.258 -28.730 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.855 -25.434 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.696 -27.839 5.641 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.001 -26.489 6.054 1.00 0.00 H new ATOM 241 N PRO A 16 -8.859 -30.925 0.232 1.00 0.00 N ATOM 242 CA PRO A 16 -8.691 -31.489 1.579 1.00 0.00 C ATOM 243 C PRO A 16 -7.547 -32.502 1.646 1.00 0.00 C ATOM 244 O PRO A 16 -7.164 -33.087 0.629 1.00 0.00 O ATOM 245 CB PRO A 16 -10.042 -32.188 1.858 1.00 0.00 C ATOM 246 CG PRO A 16 -10.918 -31.874 0.683 1.00 0.00 C ATOM 247 CD PRO A 16 -9.994 -31.547 -0.455 1.00 0.00 C ATOM 0 HA PRO A 16 -8.438 -30.719 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.909 -33.264 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.486 -31.824 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.555 -32.723 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.577 -31.034 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.696 -32.439 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.456 -30.869 -1.172 1.00 0.00 H new ATOM 255 N CYS A 17 -7.012 -32.701 2.846 1.00 0.00 N ATOM 256 CA CYS A 17 -5.930 -33.655 3.067 1.00 0.00 C ATOM 257 C CYS A 17 -5.754 -33.917 4.558 1.00 0.00 C ATOM 258 O CYS A 17 -6.192 -33.122 5.394 1.00 0.00 O ATOM 259 CB CYS A 17 -4.617 -33.123 2.472 1.00 0.00 C ATOM 260 SG CYS A 17 -3.202 -34.236 2.667 1.00 0.00 S ATOM 0 H CYS A 17 -7.313 -32.210 3.688 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.188 -34.590 2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.766 -32.928 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.380 -32.168 2.941 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.899 -34.336 3.927 1.00 0.00 H new ATOM 266 N LEU A 18 -5.129 -35.044 4.877 1.00 0.00 N ATOM 267 CA LEU A 18 -4.773 -35.373 6.250 1.00 0.00 C ATOM 268 C LEU A 18 -3.670 -34.439 6.742 1.00 0.00 C ATOM 269 O LEU A 18 -2.618 -34.322 6.105 1.00 0.00 O ATOM 270 CB LEU A 18 -4.301 -36.833 6.335 1.00 0.00 C ATOM 271 CG LEU A 18 -5.387 -37.891 6.079 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.762 -39.260 5.835 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.363 -37.947 7.252 1.00 0.00 C ATOM 0 H LEU A 18 -4.856 -35.751 4.195 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.652 -35.247 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.497 -36.980 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.877 -37.003 7.325 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.939 -37.606 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.549 -39.993 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.107 -39.211 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.182 -39.556 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.125 -38.701 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.823 -38.206 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.838 -36.974 7.377 1.00 0.00 H new ATOM 285 N TRP A 19 -3.925 -33.759 7.852 1.00 0.00 N ATOM 286 CA TRP A 19 -2.922 -32.910 8.482 1.00 0.00 C ATOM 287 C TRP A 19 -2.509 -33.534 9.812 1.00 0.00 C ATOM 288 O TRP A 19 -3.341 -34.127 10.510 1.00 0.00 O ATOM 289 CB TRP A 19 -3.465 -31.487 8.688 1.00 0.00 C ATOM 290 CG TRP A 19 -2.388 -30.480 8.965 1.00 0.00 C ATOM 291 CD1 TRP A 19 -1.882 -30.128 10.183 1.00 0.00 C ATOM 292 CD2 TRP A 19 -1.675 -29.704 7.994 1.00 0.00 C ATOM 293 NE1 TRP A 19 -0.898 -29.183 10.028 1.00 0.00 N ATOM 294 CE2 TRP A 19 -0.751 -28.907 8.695 1.00 0.00 C ATOM 295 CE3 TRP A 19 -1.727 -29.607 6.600 1.00 0.00 C ATOM 296 CZ2 TRP A 19 0.113 -28.027 8.050 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -0.870 -28.731 5.961 1.00 0.00 C ATOM 298 CH2 TRP A 19 0.042 -27.952 6.687 1.00 0.00 C ATOM 0 H TRP A 19 -4.822 -33.779 8.337 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.049 -32.836 7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.018 -31.183 7.799 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.172 -31.491 9.517 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.208 -30.533 11.130 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.363 -28.756 10.784 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.424 -30.206 6.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.815 -27.424 8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.903 -28.645 4.885 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.702 -27.279 6.159 1.00 0.00 H new ATOM 309 N ASP A 20 -1.230 -33.410 10.154 1.00 0.00 N ATOM 310 CA ASP A 20 -0.676 -34.075 11.333 1.00 0.00 C ATOM 311 C ASP A 20 -0.410 -33.072 12.455 1.00 0.00 C ATOM 312 O ASP A 20 0.261 -32.057 12.250 1.00 0.00 O ATOM 313 CB ASP A 20 0.620 -34.809 10.959 1.00 0.00 C ATOM 314 CG ASP A 20 1.144 -35.685 12.087 1.00 0.00 C ATOM 315 OD1 ASP A 20 0.534 -36.743 12.349 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.177 -35.338 12.698 1.00 0.00 O ATOM 0 H ASP A 20 -0.554 -32.854 9.630 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.407 -34.799 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.442 -35.426 10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.382 -34.078 10.688 1.00 0.00 H new ATOM 321 N TYR A 21 -0.948 -33.368 13.634 1.00 0.00 N ATOM 322 CA TYR A 21 -0.789 -32.525 14.816 1.00 0.00 C ATOM 323 C TYR A 21 -0.077 -33.309 15.921 1.00 0.00 C ATOM 324 O TYR A 21 -0.404 -34.476 16.173 1.00 0.00 O ATOM 325 CB TYR A 21 -2.160 -32.059 15.336 1.00 0.00 C ATOM 326 CG TYR A 21 -3.022 -31.343 14.308 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.901 -32.053 13.494 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.970 -29.959 14.163 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.697 -31.407 12.567 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.767 -29.307 13.238 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.628 -30.036 12.443 1.00 0.00 C ATOM 332 OH TYR A 21 -5.424 -29.392 11.523 1.00 0.00 O ATOM 0 H TYR A 21 -1.510 -34.204 13.798 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.196 -31.653 14.538 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.706 -32.926 15.707 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.004 -31.394 16.185 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.962 -33.127 13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.297 -29.385 14.782 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.371 -31.974 11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.715 -28.233 13.139 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.359 -29.432 11.814 1.00 0.00 H new ATOM 342 N ARG A 22 0.889 -32.673 16.574 1.00 0.00 N ATOM 343 CA ARG A 22 1.585 -33.280 17.708 1.00 0.00 C ATOM 344 C ARG A 22 1.059 -32.686 19.015 1.00 0.00 C ATOM 345 O ARG A 22 1.163 -31.476 19.247 1.00 0.00 O ATOM 346 CB ARG A 22 3.101 -33.059 17.591 1.00 0.00 C ATOM 347 CG ARG A 22 3.906 -33.628 18.757 1.00 0.00 C ATOM 348 CD ARG A 22 3.787 -35.145 18.853 1.00 0.00 C ATOM 349 NE ARG A 22 4.315 -35.814 17.661 1.00 0.00 N ATOM 350 CZ ARG A 22 5.315 -36.697 17.675 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.953 -36.965 18.809 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.694 -37.285 16.548 1.00 0.00 N ATOM 0 H ARG A 22 1.210 -31.734 16.338 1.00 0.00 H new ATOM 0 HA ARG A 22 1.396 -34.353 17.704 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.453 -33.513 16.665 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.297 -31.989 17.516 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.955 -33.354 18.640 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.561 -33.179 19.688 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.325 -35.496 19.734 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.741 -35.419 18.989 1.00 0.00 H new ATOM 0 HE ARG A 22 3.890 -35.590 16.761 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.679 -36.495 19.672 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.717 -37.641 18.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.221 -37.062 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.458 -37.960 16.557 1.00 0.00 H new ATOM 366 N VAL A 23 0.486 -33.541 19.858 1.00 0.00 N ATOM 367 CA VAL A 23 -0.144 -33.107 21.104 1.00 0.00 C ATOM 368 C VAL A 23 0.539 -33.751 22.310 1.00 0.00 C ATOM 369 O VAL A 23 0.411 -34.954 22.529 1.00 0.00 O ATOM 370 CB VAL A 23 -1.651 -33.478 21.121 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.345 -32.893 22.350 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.337 -33.025 19.832 1.00 0.00 C ATOM 0 H VAL A 23 0.445 -34.548 19.699 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.039 -32.024 21.163 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.731 -34.563 21.180 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.400 -33.168 22.337 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.878 -33.286 23.253 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.253 -31.807 22.337 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.392 -33.296 19.867 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.243 -31.944 19.730 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.865 -33.512 18.978 1.00 0.00 H new ATOM 382 N ILE A 24 1.277 -32.956 23.079 1.00 0.00 N ATOM 383 CA ILE A 24 1.952 -33.455 24.277 1.00 0.00 C ATOM 384 C ILE A 24 1.133 -33.119 25.525 1.00 0.00 C ATOM 385 O ILE A 24 1.023 -31.951 25.905 1.00 0.00 O ATOM 386 CB ILE A 24 3.374 -32.854 24.415 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.193 -33.111 23.138 1.00 0.00 C ATOM 388 CG2 ILE A 24 4.086 -33.440 25.636 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.583 -32.501 23.165 1.00 0.00 C ATOM 0 H ILE A 24 1.424 -31.963 22.896 1.00 0.00 H new ATOM 0 HA ILE A 24 2.042 -34.537 24.179 1.00 0.00 H new ATOM 0 HB ILE A 24 3.282 -31.777 24.554 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.282 -34.187 22.986 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.648 -32.712 22.282 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.083 -33.007 25.718 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.515 -33.209 26.535 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.168 -34.521 25.525 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.097 -32.726 22.231 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.504 -31.421 23.285 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.147 -32.918 23.999 1.00 0.00 H new ATOM 401 N MET A 25 0.546 -34.142 26.152 1.00 0.00 N ATOM 402 CA MET A 25 -0.281 -33.950 27.351 1.00 0.00 C ATOM 403 C MET A 25 0.299 -34.717 28.538 1.00 0.00 C ATOM 404 O MET A 25 1.042 -35.678 28.357 1.00 0.00 O ATOM 405 CB MET A 25 -1.731 -34.404 27.104 1.00 0.00 C ATOM 406 CG MET A 25 -2.450 -33.618 26.014 1.00 0.00 C ATOM 407 SD MET A 25 -4.237 -33.886 26.013 1.00 0.00 S ATOM 408 CE MET A 25 -4.338 -35.637 25.659 1.00 0.00 C ATOM 0 H MET A 25 0.627 -35.113 25.851 1.00 0.00 H new ATOM 0 HA MET A 25 -0.282 -32.884 27.580 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.729 -35.460 26.835 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.293 -34.313 28.034 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.248 -32.555 26.146 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.045 -33.901 25.042 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.381 -35.921 25.523 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.780 -35.857 24.749 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.914 -36.201 26.490 1.00 0.00 H new ATOM 418 N THR A 26 -0.050 -34.290 29.751 1.00 0.00 N ATOM 419 CA THR A 26 0.425 -34.943 30.973 1.00 0.00 C ATOM 420 C THR A 26 -0.567 -36.000 31.473 1.00 0.00 C ATOM 421 O THR A 26 -0.516 -36.415 32.635 1.00 0.00 O ATOM 422 CB THR A 26 0.682 -33.902 32.089 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.444 -33.017 32.207 1.00 0.00 O ATOM 424 CG2 THR A 26 1.941 -33.090 31.808 1.00 0.00 C ATOM 0 H THR A 26 -0.663 -33.491 29.915 1.00 0.00 H new ATOM 0 HA THR A 26 1.362 -35.442 30.725 1.00 0.00 H new ATOM 0 HB THR A 26 0.823 -34.443 33.025 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.273 -32.363 32.916 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.094 -32.368 32.610 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.800 -33.758 31.753 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.830 -32.563 30.861 1.00 0.00 H new ATOM 432 N THR A 27 -1.446 -36.457 30.584 1.00 0.00 N ATOM 433 CA THR A 27 -2.432 -37.476 30.927 1.00 0.00 C ATOM 434 C THR A 27 -2.504 -38.532 29.827 1.00 0.00 C ATOM 435 O THR A 27 -2.298 -38.227 28.649 1.00 0.00 O ATOM 436 CB THR A 27 -3.844 -36.866 31.134 1.00 0.00 C ATOM 437 OG1 THR A 27 -4.732 -37.857 31.675 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.418 -36.343 29.819 1.00 0.00 C ATOM 0 H THR A 27 -1.494 -36.135 29.617 1.00 0.00 H new ATOM 0 HA THR A 27 -2.112 -37.932 31.864 1.00 0.00 H new ATOM 0 HB THR A 27 -3.749 -36.032 31.830 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.569 -37.429 31.953 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.408 -35.922 29.996 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.762 -35.571 29.417 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.495 -37.162 29.104 1.00 0.00 H new ATOM 446 N LYS A 28 -2.773 -39.772 30.219 1.00 0.00 N ATOM 447 CA LYS A 28 -3.040 -40.842 29.262 1.00 0.00 C ATOM 448 C LYS A 28 -4.536 -40.912 28.985 1.00 0.00 C ATOM 449 O LYS A 28 -4.980 -41.577 28.045 1.00 0.00 O ATOM 450 CB LYS A 28 -2.530 -42.190 29.792 1.00 0.00 C ATOM 451 CG LYS A 28 -1.011 -42.259 29.920 1.00 0.00 C ATOM 452 CD LYS A 28 -0.533 -43.618 30.430 1.00 0.00 C ATOM 453 CE LYS A 28 -1.010 -43.898 31.851 1.00 0.00 C ATOM 454 NZ LYS A 28 -0.521 -42.877 32.816 1.00 0.00 N ATOM 0 H LYS A 28 -2.812 -40.063 31.196 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.510 -40.626 28.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.978 -42.381 30.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.867 -42.984 29.126 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.557 -42.058 28.950 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.670 -41.478 30.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.896 -44.402 29.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.556 -43.653 30.400 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.100 -43.921 31.869 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.665 -44.884 32.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.150 -43.351 33.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.235 -42.316 32.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.306 -42.250 33.085 1.00 0.00 H new ATOM 468 N ASP A 29 -5.309 -40.201 29.805 1.00 0.00 N ATOM 469 CA ASP A 29 -6.758 -40.156 29.656 1.00 0.00 C ATOM 470 C ASP A 29 -7.132 -39.067 28.658 1.00 0.00 C ATOM 471 O ASP A 29 -7.488 -37.948 29.034 1.00 0.00 O ATOM 472 CB ASP A 29 -7.443 -39.916 31.013 1.00 0.00 C ATOM 473 CG ASP A 29 -8.966 -39.874 30.916 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.574 -40.891 30.505 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.567 -38.839 31.278 1.00 0.00 O ATOM 0 H ASP A 29 -4.951 -39.646 30.583 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.106 -41.118 29.279 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.151 -40.705 31.705 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.086 -38.976 31.432 1.00 0.00 H new ATOM 480 N THR A 30 -6.987 -39.385 27.379 1.00 0.00 N ATOM 481 CA THR A 30 -7.286 -38.438 26.320 1.00 0.00 C ATOM 482 C THR A 30 -8.754 -38.540 25.910 1.00 0.00 C ATOM 483 O THR A 30 -9.162 -39.458 25.195 1.00 0.00 O ATOM 484 CB THR A 30 -6.353 -38.638 25.094 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.735 -37.761 24.026 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.357 -40.083 24.600 1.00 0.00 C ATOM 0 H THR A 30 -6.663 -40.295 27.052 1.00 0.00 H new ATOM 0 HA THR A 30 -7.103 -37.436 26.708 1.00 0.00 H new ATOM 0 HB THR A 30 -5.341 -38.398 25.419 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.514 -38.177 23.166 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.691 -40.176 23.742 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.014 -40.741 25.398 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.368 -40.364 24.306 1.00 0.00 H new ATOM 494 N SER A 31 -9.553 -37.606 26.408 1.00 0.00 N ATOM 495 CA SER A 31 -10.961 -37.518 26.053 1.00 0.00 C ATOM 496 C SER A 31 -11.202 -36.270 25.210 1.00 0.00 C ATOM 497 O SER A 31 -11.471 -36.364 24.013 1.00 0.00 O ATOM 498 CB SER A 31 -11.814 -37.483 27.326 1.00 0.00 C ATOM 499 OG SER A 31 -11.344 -36.485 28.220 1.00 0.00 O ATOM 0 H SER A 31 -9.244 -36.891 27.067 1.00 0.00 H new ATOM 0 HA SER A 31 -11.245 -38.393 25.468 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.854 -37.285 27.067 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.787 -38.457 27.814 1.00 0.00 H new ATOM 0 HG SER A 31 -11.903 -36.478 29.025 1.00 0.00 H new ATOM 505 N THR A 32 -11.052 -35.106 25.846 1.00 0.00 N ATOM 506 CA THR A 32 -11.285 -33.809 25.211 1.00 0.00 C ATOM 507 C THR A 32 -10.621 -33.714 23.831 1.00 0.00 C ATOM 508 O THR A 32 -11.192 -33.147 22.896 1.00 0.00 O ATOM 509 CB THR A 32 -10.751 -32.673 26.112 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.170 -32.900 27.464 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.250 -31.307 25.643 1.00 0.00 C ATOM 0 H THR A 32 -10.764 -35.038 26.822 1.00 0.00 H new ATOM 0 HA THR A 32 -12.362 -33.706 25.076 1.00 0.00 H new ATOM 0 HB THR A 32 -9.663 -32.673 26.052 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.830 -32.181 28.037 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.856 -30.531 26.299 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.911 -31.127 24.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.339 -31.288 25.672 1.00 0.00 H new ATOM 519 N LEU A 33 -9.420 -34.282 23.712 1.00 0.00 N ATOM 520 CA LEU A 33 -8.675 -34.255 22.454 1.00 0.00 C ATOM 521 C LEU A 33 -9.466 -34.938 21.339 1.00 0.00 C ATOM 522 O LEU A 33 -9.614 -34.389 20.250 1.00 0.00 O ATOM 523 CB LEU A 33 -7.307 -34.932 22.623 1.00 0.00 C ATOM 524 CG LEU A 33 -6.440 -34.993 21.351 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.142 -33.589 20.822 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.145 -35.756 21.618 1.00 0.00 C ATOM 0 H LEU A 33 -8.943 -34.766 24.472 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.518 -33.212 22.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.751 -34.402 23.396 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.465 -35.948 22.984 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.002 -35.528 20.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.529 -33.661 19.924 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.078 -33.084 20.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.607 -33.020 21.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.547 -35.788 20.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.582 -35.253 22.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.380 -36.773 21.933 1.00 0.00 H new ATOM 538 N LYS A 34 -9.983 -36.132 21.619 1.00 0.00 N ATOM 539 CA LYS A 34 -10.748 -36.881 20.626 1.00 0.00 C ATOM 540 C LYS A 34 -12.137 -36.270 20.458 1.00 0.00 C ATOM 541 O LYS A 34 -12.673 -36.223 19.353 1.00 0.00 O ATOM 542 CB LYS A 34 -10.853 -38.364 21.015 1.00 0.00 C ATOM 543 CG LYS A 34 -9.497 -39.059 21.139 1.00 0.00 C ATOM 544 CD LYS A 34 -9.632 -40.566 21.364 1.00 0.00 C ATOM 545 CE LYS A 34 -10.448 -40.886 22.610 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.513 -42.350 22.879 1.00 0.00 N ATOM 0 H LYS A 34 -9.887 -36.599 22.520 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.222 -36.821 19.673 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.383 -38.446 21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.453 -38.886 20.269 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.916 -38.880 20.234 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.941 -38.619 21.967 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.105 -41.022 20.494 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.640 -41.009 21.456 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.009 -40.379 23.470 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.458 -40.495 22.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.078 -42.521 23.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.955 -42.832 22.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.551 -42.720 23.019 1.00 0.00 H new ATOM 560 N GLU A 35 -12.693 -35.776 21.561 1.00 0.00 N ATOM 561 CA GLU A 35 -14.012 -35.145 21.563 1.00 0.00 C ATOM 562 C GLU A 35 -14.079 -34.000 20.552 1.00 0.00 C ATOM 563 O GLU A 35 -14.987 -33.947 19.716 1.00 0.00 O ATOM 564 CB GLU A 35 -14.340 -34.616 22.967 1.00 0.00 C ATOM 565 CG GLU A 35 -14.577 -35.706 24.008 1.00 0.00 C ATOM 566 CD GLU A 35 -15.827 -36.524 23.725 1.00 0.00 C ATOM 567 OE1 GLU A 35 -16.939 -36.025 23.995 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.709 -37.663 23.229 1.00 0.00 O ATOM 0 H GLU A 35 -12.244 -35.801 22.477 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.746 -35.898 21.277 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.521 -33.980 23.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.228 -33.987 22.907 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.712 -36.369 24.037 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.662 -35.249 24.994 1.00 0.00 H new ATOM 575 N LEU A 36 -13.103 -33.093 20.622 1.00 0.00 N ATOM 576 CA LEU A 36 -13.078 -31.922 19.746 1.00 0.00 C ATOM 577 C LEU A 36 -13.005 -32.362 18.281 1.00 0.00 C ATOM 578 O LEU A 36 -13.536 -31.693 17.398 1.00 0.00 O ATOM 579 CB LEU A 36 -11.903 -30.986 20.122 1.00 0.00 C ATOM 580 CG LEU A 36 -10.494 -31.415 19.650 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.177 -30.862 18.258 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.427 -30.984 20.656 1.00 0.00 C ATOM 0 H LEU A 36 -12.321 -33.147 21.275 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.000 -31.357 19.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.112 -29.997 19.714 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.882 -30.885 21.207 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.487 -32.503 19.586 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.180 -31.183 17.958 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.909 -31.236 17.542 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.216 -29.773 18.282 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.445 -31.297 20.301 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.445 -29.899 20.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.629 -31.448 21.622 1.00 0.00 H new ATOM 594 N LEU A 37 -12.360 -33.504 18.042 1.00 0.00 N ATOM 595 CA LEU A 37 -12.227 -34.061 16.697 1.00 0.00 C ATOM 596 C LEU A 37 -13.551 -34.678 16.239 1.00 0.00 C ATOM 597 O LEU A 37 -14.001 -34.460 15.111 1.00 0.00 O ATOM 598 CB LEU A 37 -11.126 -35.135 16.675 1.00 0.00 C ATOM 599 CG LEU A 37 -9.739 -34.677 17.159 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.789 -35.865 17.279 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.158 -33.620 16.225 1.00 0.00 C ATOM 0 H LEU A 37 -11.918 -34.065 18.770 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.958 -33.253 16.017 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.448 -35.973 17.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.030 -35.510 15.656 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.858 -34.231 18.146 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.814 -35.518 17.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.192 -36.582 17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.681 -36.344 16.306 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.178 -33.313 16.589 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.059 -34.035 15.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.822 -32.756 16.196 1.00 0.00 H new ATOM 613 N GLU A 38 -14.175 -35.435 17.140 1.00 0.00 N ATOM 614 CA GLU A 38 -15.389 -36.191 16.832 1.00 0.00 C ATOM 615 C GLU A 38 -16.559 -35.277 16.466 1.00 0.00 C ATOM 616 O GLU A 38 -17.461 -35.685 15.734 1.00 0.00 O ATOM 617 CB GLU A 38 -15.773 -37.089 18.018 1.00 0.00 C ATOM 618 CG GLU A 38 -14.786 -38.226 18.276 1.00 0.00 C ATOM 619 CD GLU A 38 -15.220 -39.143 19.408 1.00 0.00 C ATOM 620 OE1 GLU A 38 -16.399 -39.562 19.418 1.00 0.00 O ATOM 621 OE2 GLU A 38 -14.393 -39.455 20.291 1.00 0.00 O ATOM 0 H GLU A 38 -13.854 -35.542 18.102 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.172 -36.811 15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.849 -36.476 18.916 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.761 -37.512 17.836 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.670 -38.813 17.365 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.808 -37.805 18.511 1.00 0.00 H new ATOM 628 N THR A 39 -16.540 -34.044 16.962 1.00 0.00 N ATOM 629 CA THR A 39 -17.618 -33.094 16.684 1.00 0.00 C ATOM 630 C THR A 39 -17.728 -32.801 15.184 1.00 0.00 C ATOM 631 O THR A 39 -18.801 -32.461 14.686 1.00 0.00 O ATOM 632 CB THR A 39 -17.426 -31.772 17.461 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.153 -31.188 17.141 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.523 -32.007 18.965 1.00 0.00 C ATOM 0 H THR A 39 -15.796 -33.678 17.556 1.00 0.00 H new ATOM 0 HA THR A 39 -18.544 -33.561 17.020 1.00 0.00 H new ATOM 0 HB THR A 39 -18.220 -31.086 17.165 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.436 -31.744 17.510 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.385 -31.062 19.491 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.504 -32.416 19.207 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.750 -32.711 19.274 1.00 0.00 H new ATOM 642 N TYR A 40 -16.614 -32.958 14.467 1.00 0.00 N ATOM 643 CA TYR A 40 -16.586 -32.743 13.018 1.00 0.00 C ATOM 644 C TYR A 40 -17.236 -33.914 12.283 1.00 0.00 C ATOM 645 O TYR A 40 -17.433 -33.861 11.069 1.00 0.00 O ATOM 646 CB TYR A 40 -15.143 -32.549 12.530 1.00 0.00 C ATOM 647 CG TYR A 40 -14.480 -31.296 13.071 1.00 0.00 C ATOM 648 CD1 TYR A 40 -13.906 -31.279 14.339 1.00 0.00 C ATOM 649 CD2 TYR A 40 -14.439 -30.126 12.319 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.310 -30.137 14.838 1.00 0.00 C ATOM 651 CE2 TYR A 40 -13.847 -28.981 12.814 1.00 0.00 C ATOM 652 CZ TYR A 40 -13.283 -28.994 14.073 1.00 0.00 C ATOM 653 OH TYR A 40 -12.702 -27.855 14.576 1.00 0.00 O ATOM 0 H TYR A 40 -15.717 -33.234 14.867 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.155 -31.839 12.800 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.551 -33.417 12.820 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.139 -32.510 11.441 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.927 -32.174 14.943 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.877 -30.113 11.332 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.868 -30.142 15.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.826 -28.080 12.219 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.181 -27.068 14.242 1.00 0.00 H new ATOM 663 N GLN A 41 -17.539 -34.978 13.032 1.00 0.00 N ATOM 664 CA GLN A 41 -18.207 -36.168 12.497 1.00 0.00 C ATOM 665 C GLN A 41 -17.349 -36.862 11.435 1.00 0.00 C ATOM 666 O GLN A 41 -17.822 -37.750 10.719 1.00 0.00 O ATOM 667 CB GLN A 41 -19.589 -35.803 11.923 1.00 0.00 C ATOM 668 CG GLN A 41 -20.554 -35.216 12.951 1.00 0.00 C ATOM 669 CD GLN A 41 -20.894 -36.190 14.071 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.845 -36.967 13.969 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.127 -36.154 15.147 1.00 0.00 N ATOM 0 H GLN A 41 -17.328 -35.039 14.028 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.347 -36.868 13.321 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.457 -35.085 11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -20.037 -36.696 11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.115 -34.316 13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.473 -34.914 12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.348 -35.497 15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.314 -36.783 15.928 1.00 0.00 H new ATOM 680 N ARG A 42 -16.081 -36.470 11.349 1.00 0.00 N ATOM 681 CA ARG A 42 -15.152 -37.065 10.394 1.00 0.00 C ATOM 682 C ARG A 42 -14.192 -38.006 11.126 1.00 0.00 C ATOM 683 O ARG A 42 -13.992 -37.868 12.338 1.00 0.00 O ATOM 684 CB ARG A 42 -14.374 -35.969 9.639 1.00 0.00 C ATOM 685 CG ARG A 42 -13.357 -35.214 10.492 1.00 0.00 C ATOM 686 CD ARG A 42 -12.494 -34.268 9.654 1.00 0.00 C ATOM 687 NE ARG A 42 -13.187 -33.022 9.289 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.688 -32.757 8.076 1.00 0.00 C ATOM 689 NH1 ARG A 42 -13.702 -33.689 7.130 1.00 0.00 N ATOM 690 NH2 ARG A 42 -14.181 -31.552 7.807 1.00 0.00 N ATOM 0 H ARG A 42 -15.672 -35.740 11.932 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.717 -37.640 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.855 -36.425 8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.086 -35.254 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.880 -34.643 11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.715 -35.928 11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.589 -34.023 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.181 -34.782 8.745 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.293 -32.310 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.329 -34.618 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.086 -33.476 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.178 -30.828 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.562 -31.352 6.882 1.00 0.00 H new ATOM 704 N PRO A 43 -13.607 -38.989 10.416 1.00 0.00 N ATOM 705 CA PRO A 43 -12.646 -39.923 11.014 1.00 0.00 C ATOM 706 C PRO A 43 -11.311 -39.245 11.324 1.00 0.00 C ATOM 707 O PRO A 43 -11.013 -38.161 10.808 1.00 0.00 O ATOM 708 CB PRO A 43 -12.477 -41.001 9.935 1.00 0.00 C ATOM 709 CG PRO A 43 -12.774 -40.297 8.654 1.00 0.00 C ATOM 710 CD PRO A 43 -13.836 -39.278 8.983 1.00 0.00 C ATOM 0 HA PRO A 43 -12.991 -40.320 11.969 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.467 -41.411 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.160 -41.835 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.881 -39.816 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.125 -40.997 7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.735 -38.381 8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.837 -39.671 8.808 1.00 0.00 H new ATOM 718 N PHE A 44 -10.516 -39.890 12.171 1.00 0.00 N ATOM 719 CA PHE A 44 -9.212 -39.369 12.569 1.00 0.00 C ATOM 720 C PHE A 44 -8.347 -40.496 13.121 1.00 0.00 C ATOM 721 O PHE A 44 -8.864 -41.497 13.624 1.00 0.00 O ATOM 722 CB PHE A 44 -9.371 -38.258 13.621 1.00 0.00 C ATOM 723 CG PHE A 44 -10.040 -38.712 14.900 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.425 -38.696 15.022 1.00 0.00 C ATOM 725 CD2 PHE A 44 -9.284 -39.157 15.978 1.00 0.00 C ATOM 726 CE1 PHE A 44 -12.036 -39.113 16.188 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.893 -39.574 17.145 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.270 -39.552 17.250 1.00 0.00 C ATOM 0 H PHE A 44 -10.755 -40.784 12.599 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.725 -38.944 11.691 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.387 -37.856 13.861 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.952 -37.443 13.189 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.030 -38.354 14.195 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.207 -39.177 15.902 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.113 -39.096 16.269 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.293 -39.917 17.975 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.748 -39.878 18.162 1.00 0.00 H new ATOM 738 N LYS A 45 -7.037 -40.332 13.012 1.00 0.00 N ATOM 739 CA LYS A 45 -6.085 -41.296 13.544 1.00 0.00 C ATOM 740 C LYS A 45 -5.555 -40.809 14.891 1.00 0.00 C ATOM 741 O LYS A 45 -5.024 -39.699 14.987 1.00 0.00 O ATOM 742 CB LYS A 45 -4.913 -41.486 12.568 1.00 0.00 C ATOM 743 CG LYS A 45 -3.915 -42.557 13.008 1.00 0.00 C ATOM 744 CD LYS A 45 -2.601 -42.474 12.231 1.00 0.00 C ATOM 745 CE LYS A 45 -1.859 -41.171 12.519 1.00 0.00 C ATOM 746 NZ LYS A 45 -0.521 -41.132 11.875 1.00 0.00 N ATOM 0 H LYS A 45 -6.605 -39.530 12.554 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.593 -42.252 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.308 -41.751 11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.388 -40.537 12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.713 -42.447 14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.357 -43.543 12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.967 -43.320 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.804 -42.549 11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.455 -40.330 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.745 -41.050 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.197 -40.874 12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.298 -42.068 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.524 -40.426 11.111 1.00 0.00 H new ATOM 760 N LEU A 46 -5.714 -41.630 15.922 1.00 0.00 N ATOM 761 CA LEU A 46 -5.182 -41.326 17.246 1.00 0.00 C ATOM 762 C LEU A 46 -4.005 -42.259 17.525 1.00 0.00 C ATOM 763 O LEU A 46 -4.162 -43.479 17.536 1.00 0.00 O ATOM 764 CB LEU A 46 -6.292 -41.486 18.311 1.00 0.00 C ATOM 765 CG LEU A 46 -6.025 -40.850 19.696 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.931 -41.593 20.463 1.00 0.00 C ATOM 767 CD2 LEU A 46 -5.672 -39.369 19.550 1.00 0.00 C ATOM 0 H LEU A 46 -6.211 -42.519 15.866 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.833 -40.294 17.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.211 -41.057 17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.474 -42.551 18.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.944 -40.935 20.276 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.775 -41.114 21.430 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.233 -42.629 20.616 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.004 -41.566 19.891 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.488 -38.940 20.535 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.777 -39.267 18.937 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.500 -38.843 19.074 1.00 0.00 H new ATOM 779 N GLU A 47 -2.828 -41.682 17.734 1.00 0.00 N ATOM 780 CA GLU A 47 -1.607 -42.455 17.945 1.00 0.00 C ATOM 781 C GLU A 47 -0.878 -42.006 19.209 1.00 0.00 C ATOM 782 O GLU A 47 -1.038 -40.872 19.662 1.00 0.00 O ATOM 783 CB GLU A 47 -0.676 -42.318 16.734 1.00 0.00 C ATOM 784 CG GLU A 47 -1.163 -43.045 15.487 1.00 0.00 C ATOM 785 CD GLU A 47 -1.193 -44.555 15.659 1.00 0.00 C ATOM 786 OE1 GLU A 47 -0.118 -45.151 15.881 1.00 0.00 O ATOM 787 OE2 GLU A 47 -2.282 -45.157 15.548 1.00 0.00 O ATOM 0 H GLU A 47 -2.691 -40.672 17.762 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.892 -43.500 18.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.555 -41.260 16.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.309 -42.700 17.002 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.163 -42.693 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.514 -42.792 14.648 1.00 0.00 H new ATOM 794 N PHE A 48 -0.087 -42.910 19.777 1.00 0.00 N ATOM 795 CA PHE A 48 0.805 -42.589 20.889 1.00 0.00 C ATOM 796 C PHE A 48 2.246 -42.847 20.460 1.00 0.00 C ATOM 797 O PHE A 48 2.612 -43.981 20.147 1.00 0.00 O ATOM 798 CB PHE A 48 0.451 -43.431 22.124 1.00 0.00 C ATOM 799 CG PHE A 48 1.393 -43.234 23.289 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.334 -42.083 24.061 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.339 -44.201 23.609 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.196 -41.900 25.125 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.202 -44.021 24.672 1.00 0.00 C ATOM 804 CZ PHE A 48 3.131 -42.869 25.431 1.00 0.00 C ATOM 0 H PHE A 48 -0.045 -43.885 19.481 1.00 0.00 H new ATOM 0 HA PHE A 48 0.689 -41.539 21.156 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.562 -43.184 22.442 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.449 -44.485 21.845 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.605 -41.321 23.827 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.400 -45.104 23.019 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.139 -40.999 25.718 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.932 -44.781 24.910 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.806 -42.726 26.262 1.00 0.00 H new ATOM 814 N LYS A 49 3.059 -41.797 20.429 1.00 0.00 N ATOM 815 CA LYS A 49 4.430 -41.908 19.936 1.00 0.00 C ATOM 816 C LYS A 49 5.387 -42.365 21.036 1.00 0.00 C ATOM 817 O LYS A 49 6.014 -43.423 20.923 1.00 0.00 O ATOM 818 CB LYS A 49 4.897 -40.570 19.342 1.00 0.00 C ATOM 819 CG LYS A 49 4.190 -40.191 18.040 1.00 0.00 C ATOM 820 CD LYS A 49 4.434 -41.225 16.940 1.00 0.00 C ATOM 821 CE LYS A 49 3.833 -40.796 15.605 1.00 0.00 C ATOM 822 NZ LYS A 49 4.053 -41.811 14.539 1.00 0.00 N ATOM 0 H LYS A 49 2.795 -40.861 20.738 1.00 0.00 H new ATOM 0 HA LYS A 49 4.439 -42.665 19.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.734 -39.781 20.076 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.971 -40.619 19.160 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.119 -40.099 18.221 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.542 -39.215 17.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.506 -41.381 16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.004 -42.181 17.240 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.763 -40.626 15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.273 -39.847 15.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.628 -41.478 13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.074 -41.955 14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.611 -42.710 14.819 1.00 0.00 H new ATOM 836 N ASN A 50 5.487 -41.577 22.102 1.00 0.00 N ATOM 837 CA ASN A 50 6.456 -41.839 23.166 1.00 0.00 C ATOM 838 C ASN A 50 6.147 -40.975 24.388 1.00 0.00 C ATOM 839 O ASN A 50 5.336 -40.053 24.309 1.00 0.00 O ATOM 840 CB ASN A 50 7.883 -41.563 22.649 1.00 0.00 C ATOM 841 CG ASN A 50 8.969 -41.908 23.658 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.413 -43.053 23.743 1.00 0.00 O ATOM 843 ND2 ASN A 50 9.418 -40.920 24.415 1.00 0.00 N ATOM 0 H ASN A 50 4.909 -40.750 22.254 1.00 0.00 H new ATOM 0 HA ASN A 50 6.388 -42.885 23.464 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.049 -42.137 21.738 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.967 -40.510 22.382 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.156 -41.095 25.097 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.026 -39.983 24.317 1.00 0.00 H new ATOM 850 N THR A 51 6.783 -41.284 25.512 1.00 0.00 N ATOM 851 CA THR A 51 6.597 -40.537 26.752 1.00 0.00 C ATOM 852 C THR A 51 7.957 -40.186 27.357 1.00 0.00 C ATOM 853 O THR A 51 8.930 -40.925 27.169 1.00 0.00 O ATOM 854 CB THR A 51 5.748 -41.336 27.776 1.00 0.00 C ATOM 855 OG1 THR A 51 5.475 -40.530 28.930 1.00 0.00 O ATOM 856 CG2 THR A 51 6.451 -42.623 28.205 1.00 0.00 C ATOM 0 H THR A 51 7.442 -42.059 25.590 1.00 0.00 H new ATOM 0 HA THR A 51 6.057 -39.620 26.515 1.00 0.00 H new ATOM 0 HB THR A 51 4.811 -41.605 27.288 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.506 -40.469 29.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.827 -43.157 28.922 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.621 -43.253 27.332 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.407 -42.378 28.667 1.00 0.00 H new ATOM 864 N SER A 52 8.037 -39.041 28.037 1.00 0.00 N ATOM 865 CA SER A 52 9.284 -38.593 28.653 1.00 0.00 C ATOM 866 C SER A 52 9.824 -39.648 29.627 1.00 0.00 C ATOM 867 O SER A 52 9.102 -40.562 30.031 1.00 0.00 O ATOM 868 CB SER A 52 9.077 -37.247 29.366 1.00 0.00 C ATOM 869 OG SER A 52 8.103 -37.335 30.395 1.00 0.00 O ATOM 0 H SER A 52 7.250 -38.407 28.174 1.00 0.00 H new ATOM 0 HA SER A 52 10.024 -38.455 27.865 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.024 -36.912 29.790 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.770 -36.495 28.639 1.00 0.00 H new ATOM 0 HG SER A 52 8.047 -36.478 30.867 1.00 0.00 H new ATOM 875 N LYS A 53 11.087 -39.506 30.017 1.00 0.00 N ATOM 876 CA LYS A 53 11.767 -40.518 30.830 1.00 0.00 C ATOM 877 C LYS A 53 11.143 -40.645 32.221 1.00 0.00 C ATOM 878 O LYS A 53 11.356 -41.641 32.917 1.00 0.00 O ATOM 879 CB LYS A 53 13.263 -40.189 30.942 1.00 0.00 C ATOM 880 CG LYS A 53 13.961 -40.080 29.589 1.00 0.00 C ATOM 881 CD LYS A 53 13.752 -41.335 28.745 1.00 0.00 C ATOM 882 CE LYS A 53 14.374 -41.204 27.361 1.00 0.00 C ATOM 883 NZ LYS A 53 14.090 -42.394 26.520 1.00 0.00 N ATOM 0 H LYS A 53 11.665 -38.698 29.784 1.00 0.00 H new ATOM 0 HA LYS A 53 11.648 -41.479 30.330 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.382 -39.249 31.481 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.754 -40.961 31.535 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.580 -39.212 29.051 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.028 -39.917 29.742 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.187 -42.193 29.258 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.684 -41.531 28.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.987 -40.311 26.871 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.452 -41.074 27.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.528 -42.271 25.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.481 -43.243 26.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.062 -42.503 26.409 1.00 0.00 H new ATOM 897 N ASN A 54 10.380 -39.635 32.622 1.00 0.00 N ATOM 898 CA ASN A 54 9.699 -39.641 33.920 1.00 0.00 C ATOM 899 C ASN A 54 8.222 -40.010 33.744 1.00 0.00 C ATOM 900 O ASN A 54 7.448 -39.985 34.700 1.00 0.00 O ATOM 901 CB ASN A 54 9.832 -38.258 34.585 1.00 0.00 C ATOM 902 CG ASN A 54 9.365 -38.238 36.035 1.00 0.00 C ATOM 903 OD1 ASN A 54 10.146 -38.497 36.953 1.00 0.00 O ATOM 904 ND2 ASN A 54 8.097 -37.926 36.255 1.00 0.00 N ATOM 0 H ASN A 54 10.214 -38.796 32.067 1.00 0.00 H new ATOM 0 HA ASN A 54 10.165 -40.388 34.562 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.874 -37.941 34.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.254 -37.531 34.014 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.738 -37.894 37.209 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.480 -37.717 35.470 1.00 0.00 H new ATOM 911 N ALA A 55 7.846 -40.356 32.508 1.00 0.00 N ATOM 912 CA ALA A 55 6.456 -40.676 32.163 1.00 0.00 C ATOM 913 C ALA A 55 5.536 -39.498 32.489 1.00 0.00 C ATOM 914 O ALA A 55 4.337 -39.667 32.721 1.00 0.00 O ATOM 915 CB ALA A 55 6.002 -41.944 32.885 1.00 0.00 C ATOM 0 H ALA A 55 8.493 -40.422 31.722 1.00 0.00 H new ATOM 0 HA ALA A 55 6.399 -40.860 31.090 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.969 -42.165 32.617 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.640 -42.778 32.592 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.073 -41.794 33.962 1.00 0.00 H new ATOM 921 N LYS A 56 6.114 -38.300 32.477 1.00 0.00 N ATOM 922 CA LYS A 56 5.399 -37.081 32.844 1.00 0.00 C ATOM 923 C LYS A 56 4.688 -36.491 31.629 1.00 0.00 C ATOM 924 O LYS A 56 3.556 -36.015 31.725 1.00 0.00 O ATOM 925 CB LYS A 56 6.385 -36.056 33.423 1.00 0.00 C ATOM 926 CG LYS A 56 5.729 -34.777 33.941 1.00 0.00 C ATOM 927 CD LYS A 56 4.855 -35.039 35.167 1.00 0.00 C ATOM 928 CE LYS A 56 4.240 -33.752 35.708 1.00 0.00 C ATOM 929 NZ LYS A 56 3.472 -33.986 36.960 1.00 0.00 N ATOM 0 H LYS A 56 7.087 -38.147 32.214 1.00 0.00 H new ATOM 0 HA LYS A 56 4.651 -37.327 33.597 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.939 -36.522 34.238 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.111 -35.792 32.654 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.501 -34.050 34.194 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.122 -34.335 33.151 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.062 -35.739 34.905 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.453 -35.512 35.946 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.029 -33.024 35.897 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.582 -33.320 34.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.071 -33.087 37.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.703 -34.661 36.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.105 -34.375 37.688 1.00 0.00 H new ATOM 943 N PHE A 57 5.365 -36.529 30.487 1.00 0.00 N ATOM 944 CA PHE A 57 4.841 -35.954 29.255 1.00 0.00 C ATOM 945 C PHE A 57 4.570 -37.058 28.243 1.00 0.00 C ATOM 946 O PHE A 57 5.466 -37.831 27.903 1.00 0.00 O ATOM 947 CB PHE A 57 5.836 -34.938 28.677 1.00 0.00 C ATOM 948 CG PHE A 57 6.206 -33.841 29.644 1.00 0.00 C ATOM 949 CD1 PHE A 57 5.267 -32.898 30.034 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.489 -33.758 30.169 1.00 0.00 C ATOM 951 CE1 PHE A 57 5.599 -31.896 30.925 1.00 0.00 C ATOM 952 CE2 PHE A 57 7.825 -32.758 31.061 1.00 0.00 C ATOM 953 CZ PHE A 57 6.879 -31.826 31.440 1.00 0.00 C ATOM 0 H PHE A 57 6.286 -36.956 30.390 1.00 0.00 H new ATOM 0 HA PHE A 57 3.907 -35.438 29.476 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.741 -35.462 28.371 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.407 -34.491 27.780 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.264 -32.948 29.636 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.233 -34.484 29.876 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.858 -31.167 31.219 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.827 -32.705 31.462 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.139 -31.044 32.138 1.00 0.00 H new ATOM 963 N TYR A 58 3.329 -37.142 27.785 1.00 0.00 N ATOM 964 CA TYR A 58 2.925 -38.148 26.812 1.00 0.00 C ATOM 965 C TYR A 58 2.755 -37.502 25.442 1.00 0.00 C ATOM 966 O TYR A 58 1.925 -36.604 25.268 1.00 0.00 O ATOM 967 CB TYR A 58 1.613 -38.811 27.249 1.00 0.00 C ATOM 968 CG TYR A 58 1.632 -39.322 28.679 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.246 -40.527 29.011 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.032 -38.593 29.697 1.00 0.00 C ATOM 971 CE1 TYR A 58 2.256 -40.984 30.318 1.00 0.00 C ATOM 972 CE2 TYR A 58 1.040 -39.043 30.999 1.00 0.00 C ATOM 973 CZ TYR A 58 1.651 -40.236 31.307 1.00 0.00 C ATOM 974 OH TYR A 58 1.650 -40.685 32.609 1.00 0.00 O ATOM 0 H TYR A 58 2.576 -36.518 28.076 1.00 0.00 H new ATOM 0 HA TYR A 58 3.699 -38.913 26.751 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.800 -38.093 27.140 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.396 -39.643 26.579 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.721 -41.113 28.238 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.550 -37.655 29.464 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.735 -41.921 30.562 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.568 -38.460 31.776 1.00 0.00 H new ATOM 0 HH TYR A 58 2.516 -40.488 33.023 1.00 0.00 H new ATOM 984 N SER A 59 3.550 -37.951 24.481 1.00 0.00 N ATOM 985 CA SER A 59 3.492 -37.425 23.127 1.00 0.00 C ATOM 986 C SER A 59 2.443 -38.178 22.310 1.00 0.00 C ATOM 987 O SER A 59 2.610 -39.365 22.002 1.00 0.00 O ATOM 988 CB SER A 59 4.870 -37.541 22.465 1.00 0.00 C ATOM 989 OG SER A 59 5.851 -36.824 23.200 1.00 0.00 O ATOM 0 H SER A 59 4.247 -38.683 24.617 1.00 0.00 H new ATOM 0 HA SER A 59 3.207 -36.374 23.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.157 -38.590 22.396 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.821 -37.157 21.446 1.00 0.00 H new ATOM 0 HG SER A 59 6.721 -36.915 22.759 1.00 0.00 H new ATOM 995 N PHE A 60 1.368 -37.481 21.960 1.00 0.00 N ATOM 996 CA PHE A 60 0.288 -38.059 21.171 1.00 0.00 C ATOM 997 C PHE A 60 0.353 -37.555 19.736 1.00 0.00 C ATOM 998 O PHE A 60 0.784 -36.428 19.471 1.00 0.00 O ATOM 999 CB PHE A 60 -1.081 -37.714 21.778 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.320 -38.319 23.138 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.660 -39.659 23.265 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.211 -37.548 24.288 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.885 -40.216 24.509 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.437 -38.103 25.534 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.773 -39.438 25.644 1.00 0.00 C ATOM 0 H PHE A 60 1.221 -36.504 22.214 1.00 0.00 H new ATOM 0 HA PHE A 60 0.410 -39.142 21.178 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.171 -36.630 21.853 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.864 -38.052 21.099 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.750 -40.273 22.381 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.947 -36.504 24.208 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.148 -41.260 24.594 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.351 -37.493 26.421 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.948 -39.873 26.617 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.077 -38.405 18.821 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.097 -38.102 17.399 1.00 0.00 C ATOM 1017 C ASN A 61 -1.534 -38.110 16.894 1.00 0.00 C ATOM 1018 O ASN A 61 -2.242 -39.106 17.029 1.00 0.00 O ATOM 1019 CB ASN A 61 0.770 -39.129 16.641 1.00 0.00 C ATOM 1020 CG ASN A 61 0.451 -39.269 15.151 1.00 0.00 C ATOM 1021 OD1 ASN A 61 0.649 -40.333 14.565 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -0.034 -38.215 14.525 1.00 0.00 N ATOM 0 H ASN A 61 -0.427 -39.336 19.046 1.00 0.00 H new ATOM 0 HA ASN A 61 0.318 -37.110 17.224 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.818 -38.847 16.748 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.652 -40.103 17.116 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.255 -38.269 13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.188 -37.345 15.035 1.00 0.00 H new ATOM 1029 N VAL A 62 -1.958 -36.986 16.330 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.292 -36.856 15.758 1.00 0.00 C ATOM 1031 C VAL A 62 -3.189 -36.558 14.268 1.00 0.00 C ATOM 1032 O VAL A 62 -2.362 -35.753 13.850 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.099 -35.729 16.453 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.487 -35.580 15.828 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.206 -35.992 17.953 1.00 0.00 C ATOM 0 H VAL A 62 -1.390 -36.142 16.256 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.816 -37.799 15.914 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.564 -34.791 16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.031 -34.783 16.335 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.386 -35.335 14.771 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.035 -36.516 15.932 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.776 -35.190 18.423 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.712 -36.943 18.120 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.207 -36.031 18.388 1.00 0.00 H new ATOM 1045 N SER A 63 -4.010 -37.222 13.469 1.00 0.00 N ATOM 1046 CA SER A 63 -4.057 -36.974 12.032 1.00 0.00 C ATOM 1047 C SER A 63 -5.507 -37.001 11.556 1.00 0.00 C ATOM 1048 O SER A 63 -6.200 -38.000 11.733 1.00 0.00 O ATOM 1049 CB SER A 63 -3.225 -38.027 11.290 1.00 0.00 C ATOM 1050 OG SER A 63 -1.917 -38.125 11.836 1.00 0.00 O ATOM 0 H SER A 63 -4.657 -37.941 13.792 1.00 0.00 H new ATOM 0 HA SER A 63 -3.635 -35.992 11.819 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.721 -38.996 11.351 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.163 -37.767 10.233 1.00 0.00 H new ATOM 0 HG SER A 63 -1.450 -37.271 11.722 1.00 0.00 H new ATOM 1056 N MET A 64 -5.970 -35.900 10.971 1.00 0.00 N ATOM 1057 CA MET A 64 -7.362 -35.792 10.533 1.00 0.00 C ATOM 1058 C MET A 64 -7.456 -35.037 9.212 1.00 0.00 C ATOM 1059 O MET A 64 -6.568 -34.251 8.872 1.00 0.00 O ATOM 1060 CB MET A 64 -8.209 -35.084 11.603 1.00 0.00 C ATOM 1061 CG MET A 64 -7.827 -33.625 11.829 1.00 0.00 C ATOM 1062 SD MET A 64 -8.801 -32.838 13.128 1.00 0.00 S ATOM 1063 CE MET A 64 -10.467 -33.069 12.510 1.00 0.00 C ATOM 0 H MET A 64 -5.405 -35.071 10.789 1.00 0.00 H new ATOM 0 HA MET A 64 -7.749 -36.800 10.386 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.258 -35.134 11.313 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.113 -35.624 12.545 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.770 -33.567 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.957 -33.072 10.899 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.175 -32.586 13.183 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.551 -32.628 11.517 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.690 -34.135 12.453 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.528 -35.289 8.469 1.00 0.00 N ATOM 1074 CA GLU A 65 -8.765 -34.610 7.199 1.00 0.00 C ATOM 1075 C GLU A 65 -9.255 -33.184 7.429 1.00 0.00 C ATOM 1076 O GLU A 65 -10.287 -32.970 8.063 1.00 0.00 O ATOM 1077 CB GLU A 65 -9.801 -35.374 6.365 1.00 0.00 C ATOM 1078 CG GLU A 65 -9.362 -36.775 5.966 1.00 0.00 C ATOM 1079 CD GLU A 65 -10.442 -37.531 5.210 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -10.516 -37.396 3.971 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -11.227 -38.257 5.857 1.00 0.00 O ATOM 0 H GLU A 65 -9.250 -35.962 8.726 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.819 -34.578 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.729 -35.443 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.020 -34.802 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.468 -36.709 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.089 -37.335 6.860 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.503 -32.217 6.927 1.00 0.00 N ATOM 1089 CA VAL A 66 -8.927 -30.822 6.942 1.00 0.00 C ATOM 1090 C VAL A 66 -9.290 -30.391 5.522 1.00 0.00 C ATOM 1091 O VAL A 66 -8.514 -30.599 4.586 1.00 0.00 O ATOM 1092 CB VAL A 66 -7.831 -29.891 7.529 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -7.649 -30.155 9.023 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -6.505 -30.072 6.791 1.00 0.00 C ATOM 0 H VAL A 66 -7.589 -32.373 6.501 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.800 -30.735 7.589 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.157 -28.860 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.877 -29.494 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.589 -29.967 9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.351 -31.192 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.755 -29.409 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.173 -31.106 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.640 -29.831 5.737 1.00 0.00 H new ATOM 1104 N SER A 67 -10.478 -29.820 5.358 1.00 0.00 N ATOM 1105 CA SER A 67 -10.973 -29.444 4.037 1.00 0.00 C ATOM 1106 C SER A 67 -10.508 -28.043 3.662 1.00 0.00 C ATOM 1107 O SER A 67 -10.521 -27.669 2.487 1.00 0.00 O ATOM 1108 CB SER A 67 -12.504 -29.535 3.992 1.00 0.00 C ATOM 1109 OG SER A 67 -12.999 -29.284 2.687 1.00 0.00 O ATOM 0 H SER A 67 -11.117 -29.607 6.124 1.00 0.00 H new ATOM 0 HA SER A 67 -10.563 -30.143 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.821 -30.525 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.933 -28.816 4.690 1.00 0.00 H new ATOM 0 HG SER A 67 -13.977 -29.351 2.690 1.00 0.00 H new ATOM 1115 N ASN A 68 -10.103 -27.270 4.660 1.00 0.00 N ATOM 1116 CA ASN A 68 -9.576 -25.931 4.425 1.00 0.00 C ATOM 1117 C ASN A 68 -8.583 -25.543 5.515 1.00 0.00 C ATOM 1118 O ASN A 68 -8.347 -26.300 6.459 1.00 0.00 O ATOM 1119 CB ASN A 68 -10.707 -24.897 4.358 1.00 0.00 C ATOM 1120 CG ASN A 68 -11.529 -24.856 5.630 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -11.188 -24.159 6.584 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -12.617 -25.599 5.646 1.00 0.00 N ATOM 0 H ASN A 68 -10.129 -27.547 5.641 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.060 -25.943 3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.283 -23.910 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.358 -25.129 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.214 -25.611 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.862 -26.162 4.832 1.00 0.00 H new ATOM 1129 N GLU A 69 -8.022 -24.348 5.380 1.00 0.00 N ATOM 1130 CA GLU A 69 -6.981 -23.871 6.285 1.00 0.00 C ATOM 1131 C GLU A 69 -7.586 -23.404 7.610 1.00 0.00 C ATOM 1132 O GLU A 69 -6.940 -23.481 8.660 1.00 0.00 O ATOM 1133 CB GLU A 69 -6.193 -22.726 5.628 1.00 0.00 C ATOM 1134 CG GLU A 69 -4.973 -22.276 6.428 1.00 0.00 C ATOM 1135 CD GLU A 69 -4.258 -21.092 5.794 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -3.487 -21.299 4.833 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -4.461 -19.950 6.262 1.00 0.00 O ATOM 0 H GLU A 69 -8.273 -23.685 4.646 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.300 -24.697 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.869 -23.043 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.858 -21.874 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.284 -22.009 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.276 -23.109 6.519 1.00 0.00 H new ATOM 1144 N SER A 70 -8.831 -22.935 7.560 1.00 0.00 N ATOM 1145 CA SER A 70 -9.507 -22.434 8.752 1.00 0.00 C ATOM 1146 C SER A 70 -9.668 -23.566 9.767 1.00 0.00 C ATOM 1147 O SER A 70 -9.346 -23.399 10.947 1.00 0.00 O ATOM 1148 CB SER A 70 -10.870 -21.821 8.390 1.00 0.00 C ATOM 1149 OG SER A 70 -11.423 -21.101 9.481 1.00 0.00 O ATOM 0 H SER A 70 -9.390 -22.892 6.708 1.00 0.00 H new ATOM 0 HA SER A 70 -8.900 -21.647 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.755 -21.155 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.557 -22.612 8.089 1.00 0.00 H new ATOM 0 HG SER A 70 -12.288 -20.722 9.218 1.00 0.00 H new ATOM 1155 N GLU A 71 -10.136 -24.725 9.293 1.00 0.00 N ATOM 1156 CA GLU A 71 -10.248 -25.914 10.139 1.00 0.00 C ATOM 1157 C GLU A 71 -8.889 -26.262 10.741 1.00 0.00 C ATOM 1158 O GLU A 71 -8.770 -26.497 11.943 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.780 -27.116 9.342 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.218 -26.965 8.860 1.00 0.00 C ATOM 1161 CD GLU A 71 -12.699 -28.181 8.079 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -12.279 -28.343 6.916 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -13.505 -28.978 8.618 1.00 0.00 O ATOM 0 H GLU A 71 -10.442 -24.863 8.330 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.954 -25.689 10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.135 -27.278 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.710 -28.009 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.871 -26.806 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.296 -26.078 8.231 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.865 -26.252 9.892 1.00 0.00 N ATOM 1171 CA ARG A 72 -6.504 -26.600 10.297 1.00 0.00 C ATOM 1172 C ARG A 72 -6.061 -25.748 11.493 1.00 0.00 C ATOM 1173 O ARG A 72 -5.337 -26.219 12.373 1.00 0.00 O ATOM 1174 CB ARG A 72 -5.558 -26.420 9.090 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.104 -26.857 9.311 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.277 -25.803 10.046 1.00 0.00 C ATOM 1177 NE ARG A 72 -1.854 -26.149 10.085 1.00 0.00 N ATOM 1178 CZ ARG A 72 -0.977 -25.636 10.949 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -1.380 -24.794 11.893 1.00 0.00 N ATOM 1180 NH2 ARG A 72 0.306 -25.969 10.873 1.00 0.00 N ATOM 0 H ARG A 72 -7.953 -26.003 8.907 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.470 -27.642 10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.963 -26.982 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.562 -25.369 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.091 -27.786 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.642 -27.068 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.402 -24.838 9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.651 -25.694 11.064 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.511 -26.828 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.365 -24.536 11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.705 -24.405 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.623 -26.618 10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.975 -25.576 11.535 1.00 0.00 H new ATOM 1194 N ASN A 73 -6.510 -24.495 11.527 1.00 0.00 N ATOM 1195 CA ASN A 73 -6.150 -23.579 12.611 1.00 0.00 C ATOM 1196 C ASN A 73 -7.059 -23.765 13.824 1.00 0.00 C ATOM 1197 O ASN A 73 -6.574 -23.890 14.950 1.00 0.00 O ATOM 1198 CB ASN A 73 -6.197 -22.116 12.139 1.00 0.00 C ATOM 1199 CG ASN A 73 -4.989 -21.732 11.300 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -3.958 -21.319 11.833 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -5.101 -21.857 9.988 1.00 0.00 N ATOM 0 H ASN A 73 -7.122 -24.090 10.819 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.129 -23.818 12.907 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.105 -21.955 11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.255 -21.460 13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.318 -21.608 9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.970 -22.202 9.581 1.00 0.00 H new ATOM 1208 N GLU A 74 -8.372 -23.799 13.594 1.00 0.00 N ATOM 1209 CA GLU A 74 -9.339 -23.856 14.690 1.00 0.00 C ATOM 1210 C GLU A 74 -9.125 -25.112 15.530 1.00 0.00 C ATOM 1211 O GLU A 74 -9.124 -25.055 16.759 1.00 0.00 O ATOM 1212 CB GLU A 74 -10.782 -23.799 14.159 1.00 0.00 C ATOM 1213 CG GLU A 74 -11.258 -25.065 13.465 1.00 0.00 C ATOM 1214 CD GLU A 74 -12.694 -24.956 12.980 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.613 -25.238 13.781 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -12.911 -24.581 11.811 1.00 0.00 O ATOM 0 H GLU A 74 -8.789 -23.788 12.663 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.180 -22.984 15.325 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.452 -23.584 14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.864 -22.966 13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.607 -25.278 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.173 -25.907 14.152 1.00 0.00 H new ATOM 1223 N ILE A 75 -8.911 -26.236 14.853 1.00 0.00 N ATOM 1224 CA ILE A 75 -8.670 -27.513 15.514 1.00 0.00 C ATOM 1225 C ILE A 75 -7.427 -27.423 16.391 1.00 0.00 C ATOM 1226 O ILE A 75 -7.425 -27.877 17.535 1.00 0.00 O ATOM 1227 CB ILE A 75 -8.508 -28.640 14.465 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -9.803 -28.773 13.646 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -8.145 -29.968 15.132 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -9.644 -29.544 12.357 1.00 0.00 C ATOM 0 H ILE A 75 -8.900 -26.287 13.834 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.527 -27.748 16.145 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.689 -28.379 13.794 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.559 -29.264 14.259 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.178 -27.776 13.416 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.038 -30.740 14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.205 -29.859 15.673 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.933 -30.253 15.829 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.603 -29.591 11.841 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.914 -29.043 11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.300 -30.555 12.578 1.00 0.00 H new ATOM 1242 N PHE A 76 -6.386 -26.797 15.853 1.00 0.00 N ATOM 1243 CA PHE A 76 -5.145 -26.586 16.588 1.00 0.00 C ATOM 1244 C PHE A 76 -5.401 -25.755 17.849 1.00 0.00 C ATOM 1245 O PHE A 76 -4.776 -25.973 18.890 1.00 0.00 O ATOM 1246 CB PHE A 76 -4.114 -25.894 15.684 1.00 0.00 C ATOM 1247 CG PHE A 76 -2.843 -25.501 16.393 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -1.965 -26.469 16.860 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -2.529 -24.164 16.599 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -0.803 -26.112 17.515 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -1.369 -23.802 17.254 1.00 0.00 C ATOM 1252 CZ PHE A 76 -0.504 -24.777 17.713 1.00 0.00 C ATOM 0 H PHE A 76 -6.378 -26.425 14.903 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.749 -27.554 16.896 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.866 -26.560 14.857 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.567 -25.002 15.250 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.193 -27.514 16.709 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.201 -23.398 16.242 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.128 -26.876 17.872 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.138 -22.758 17.407 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.404 -24.496 18.226 1.00 0.00 H new ATOM 1262 N GLN A 77 -6.345 -24.821 17.754 1.00 0.00 N ATOM 1263 CA GLN A 77 -6.686 -23.957 18.879 1.00 0.00 C ATOM 1264 C GLN A 77 -7.445 -24.752 19.937 1.00 0.00 C ATOM 1265 O GLN A 77 -7.275 -24.534 21.137 1.00 0.00 O ATOM 1266 CB GLN A 77 -7.516 -22.756 18.404 1.00 0.00 C ATOM 1267 CG GLN A 77 -6.796 -21.885 17.377 1.00 0.00 C ATOM 1268 CD GLN A 77 -7.636 -20.713 16.897 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -8.386 -20.824 15.926 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -7.511 -19.579 17.568 1.00 0.00 N ATOM 0 H GLN A 77 -6.887 -24.644 16.908 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.765 -23.578 19.322 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.449 -23.118 17.972 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.781 -22.144 19.266 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.872 -21.507 17.814 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.516 -22.499 16.521 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.879 -19.526 18.367 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.046 -18.758 17.286 1.00 0.00 H new ATOM 1279 N LYS A 78 -8.263 -25.697 19.483 1.00 0.00 N ATOM 1280 CA LYS A 78 -9.010 -26.566 20.388 1.00 0.00 C ATOM 1281 C LYS A 78 -8.043 -27.486 21.134 1.00 0.00 C ATOM 1282 O LYS A 78 -8.250 -27.819 22.303 1.00 0.00 O ATOM 1283 CB LYS A 78 -10.048 -27.394 19.615 1.00 0.00 C ATOM 1284 CG LYS A 78 -10.919 -26.563 18.677 1.00 0.00 C ATOM 1285 CD LYS A 78 -12.129 -27.340 18.167 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.023 -26.463 17.299 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.162 -27.221 16.721 1.00 0.00 N ATOM 0 H LYS A 78 -8.426 -25.881 18.493 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.542 -25.946 21.110 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.531 -28.158 19.035 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.689 -27.913 20.327 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.259 -25.668 19.198 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.320 -26.230 17.829 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.794 -28.203 17.592 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.701 -27.723 19.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.405 -25.635 17.895 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.431 -26.029 16.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.950 -26.570 16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.863 -27.675 15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.472 -27.949 17.396 1.00 0.00 H new ATOM 1301 N ILE A 79 -6.970 -27.869 20.448 1.00 0.00 N ATOM 1302 CA ILE A 79 -5.933 -28.719 21.027 1.00 0.00 C ATOM 1303 C ILE A 79 -5.257 -28.032 22.220 1.00 0.00 C ATOM 1304 O ILE A 79 -4.794 -28.689 23.149 1.00 0.00 O ATOM 1305 CB ILE A 79 -4.869 -29.106 19.965 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.508 -29.951 18.847 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -3.700 -29.853 20.605 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.547 -30.344 17.742 1.00 0.00 C ATOM 0 H ILE A 79 -6.795 -27.601 19.480 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.418 -29.629 21.380 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.479 -28.188 19.526 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.930 -30.855 19.286 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.336 -29.392 18.412 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.970 -30.112 19.838 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.229 -29.217 21.355 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.066 -30.764 21.079 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.075 -30.937 16.995 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.144 -29.446 17.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.731 -30.932 18.162 1.00 0.00 H new ATOM 1320 N SER A 80 -5.201 -26.708 22.199 1.00 0.00 N ATOM 1321 CA SER A 80 -4.597 -25.964 23.301 1.00 0.00 C ATOM 1322 C SER A 80 -5.619 -25.678 24.407 1.00 0.00 C ATOM 1323 O SER A 80 -5.269 -25.156 25.467 1.00 0.00 O ATOM 1324 CB SER A 80 -3.969 -24.668 22.781 1.00 0.00 C ATOM 1325 OG SER A 80 -4.913 -23.873 22.082 1.00 0.00 O ATOM 0 H SER A 80 -5.562 -26.129 21.440 1.00 0.00 H new ATOM 0 HA SER A 80 -3.810 -26.579 23.738 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.562 -24.099 23.617 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.134 -24.907 22.122 1.00 0.00 H new ATOM 0 HG SER A 80 -5.795 -24.297 22.128 1.00 0.00 H new ATOM 1331 N GLN A 81 -6.879 -26.045 24.163 1.00 0.00 N ATOM 1332 CA GLN A 81 -7.953 -25.823 25.136 1.00 0.00 C ATOM 1333 C GLN A 81 -8.153 -27.050 26.025 1.00 0.00 C ATOM 1334 O GLN A 81 -9.053 -27.076 26.864 1.00 0.00 O ATOM 1335 CB GLN A 81 -9.267 -25.473 24.422 1.00 0.00 C ATOM 1336 CG GLN A 81 -9.205 -24.171 23.630 1.00 0.00 C ATOM 1337 CD GLN A 81 -10.552 -23.745 23.064 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -10.822 -22.551 22.917 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -11.402 -24.707 22.730 1.00 0.00 N ATOM 0 H GLN A 81 -7.181 -26.497 23.300 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.660 -24.984 25.767 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.531 -26.287 23.747 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.064 -25.401 25.162 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.823 -23.380 24.275 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.495 -24.286 22.811 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.145 -25.685 22.866 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.313 -24.469 22.337 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.311 -28.064 25.841 1.00 0.00 N ATOM 1349 CA LEU A 82 -7.401 -29.290 26.634 1.00 0.00 C ATOM 1350 C LEU A 82 -6.954 -29.031 28.071 1.00 0.00 C ATOM 1351 O LEU A 82 -7.483 -29.624 29.008 1.00 0.00 O ATOM 1352 CB LEU A 82 -6.528 -30.396 26.021 1.00 0.00 C ATOM 1353 CG LEU A 82 -6.640 -30.550 24.496 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -5.628 -31.564 23.975 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.056 -30.938 24.090 1.00 0.00 C ATOM 0 H LEU A 82 -6.560 -28.062 25.151 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.441 -29.615 26.634 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.487 -30.197 26.274 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.793 -31.345 26.486 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.413 -29.585 24.044 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.728 -31.655 22.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.620 -31.230 24.220 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.812 -32.533 24.439 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.109 -31.041 23.006 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.322 -31.886 24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.752 -30.165 24.415 1.00 0.00 H new ATOM 1367 N ASP A 83 -5.967 -28.139 28.215 1.00 0.00 N ATOM 1368 CA ASP A 83 -5.326 -27.827 29.505 1.00 0.00 C ATOM 1369 C ASP A 83 -4.334 -28.921 29.905 1.00 0.00 C ATOM 1370 O ASP A 83 -3.278 -28.633 30.478 1.00 0.00 O ATOM 1371 CB ASP A 83 -6.354 -27.601 30.627 1.00 0.00 C ATOM 1372 CG ASP A 83 -5.701 -27.189 31.939 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -5.359 -25.999 32.090 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -5.530 -28.048 32.829 1.00 0.00 O ATOM 0 H ASP A 83 -5.585 -27.606 27.434 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.781 -26.893 29.367 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.061 -26.831 30.319 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.927 -28.516 30.781 1.00 0.00 H new ATOM 1379 N LYS A 84 -4.673 -30.174 29.602 1.00 0.00 N ATOM 1380 CA LYS A 84 -3.765 -31.300 29.830 1.00 0.00 C ATOM 1381 C LYS A 84 -2.493 -31.142 28.999 1.00 0.00 C ATOM 1382 O LYS A 84 -1.438 -31.679 29.345 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.427 -32.642 29.464 1.00 0.00 C ATOM 1384 CG LYS A 84 -5.575 -33.072 30.378 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.885 -32.369 30.053 1.00 0.00 C ATOM 1386 CE LYS A 84 -8.031 -32.875 30.925 1.00 0.00 C ATOM 1387 NZ LYS A 84 -7.782 -32.641 32.373 1.00 0.00 N ATOM 0 H LYS A 84 -5.572 -30.436 29.197 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.519 -31.301 30.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.802 -32.577 28.442 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.664 -33.420 29.475 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.716 -34.150 30.294 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.305 -32.866 31.414 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.766 -31.295 30.196 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.131 -32.526 29.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.955 -32.377 30.632 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.174 -33.941 30.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.638 -32.875 32.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.996 -33.243 32.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.537 -31.642 32.526 1.00 0.00 H new ATOM 1401 N VAL A 85 -2.615 -30.415 27.892 1.00 0.00 N ATOM 1402 CA VAL A 85 -1.511 -30.231 26.959 1.00 0.00 C ATOM 1403 C VAL A 85 -0.498 -29.217 27.493 1.00 0.00 C ATOM 1404 O VAL A 85 -0.866 -28.133 27.957 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.025 -29.788 25.563 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -2.765 -28.453 25.640 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -0.876 -29.726 24.556 1.00 0.00 C ATOM 0 H VAL A 85 -3.476 -29.941 27.619 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.011 -31.194 26.854 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.737 -30.537 25.216 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.112 -28.171 24.646 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.620 -28.549 26.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.091 -27.685 26.020 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.260 -29.413 23.585 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.130 -29.009 24.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.418 -30.711 24.465 1.00 0.00 H new ATOM 1417 N VAL A 86 0.777 -29.588 27.445 1.00 0.00 N ATOM 1418 CA VAL A 86 1.858 -28.713 27.891 1.00 0.00 C ATOM 1419 C VAL A 86 2.575 -28.083 26.700 1.00 0.00 C ATOM 1420 O VAL A 86 3.254 -27.064 26.841 1.00 0.00 O ATOM 1421 CB VAL A 86 2.887 -29.480 28.758 1.00 0.00 C ATOM 1422 CG1 VAL A 86 2.220 -30.042 30.012 1.00 0.00 C ATOM 1423 CG2 VAL A 86 3.558 -30.592 27.952 1.00 0.00 C ATOM 0 H VAL A 86 1.090 -30.495 27.099 1.00 0.00 H new ATOM 0 HA VAL A 86 1.404 -27.928 28.496 1.00 0.00 H new ATOM 0 HB VAL A 86 3.661 -28.778 29.069 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.959 -30.577 30.608 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.803 -29.224 30.600 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.422 -30.726 29.724 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.276 -31.116 28.583 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.802 -31.295 27.602 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.075 -30.159 27.096 1.00 0.00 H new ATOM 1433 N GLN A 87 2.424 -28.695 25.530 1.00 0.00 N ATOM 1434 CA GLN A 87 3.051 -28.188 24.316 1.00 0.00 C ATOM 1435 C GLN A 87 2.300 -28.675 23.081 1.00 0.00 C ATOM 1436 O GLN A 87 2.180 -29.880 22.846 1.00 0.00 O ATOM 1437 CB GLN A 87 4.524 -28.623 24.247 1.00 0.00 C ATOM 1438 CG GLN A 87 5.294 -28.032 23.067 1.00 0.00 C ATOM 1439 CD GLN A 87 5.237 -26.512 23.031 1.00 0.00 C ATOM 1440 OE1 GLN A 87 6.043 -25.834 23.667 1.00 0.00 O ATOM 1441 NE2 GLN A 87 4.298 -25.968 22.270 1.00 0.00 N ATOM 0 H GLN A 87 1.873 -29.543 25.397 1.00 0.00 H new ATOM 0 HA GLN A 87 3.010 -27.099 24.341 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.021 -28.334 25.173 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.568 -29.710 24.188 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.335 -28.351 23.121 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.887 -28.429 22.137 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.648 -26.564 21.758 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.226 -24.953 22.197 1.00 0.00 H new ATOM 1450 N THR A 88 1.772 -27.729 22.316 1.00 0.00 N ATOM 1451 CA THR A 88 1.128 -28.025 21.046 1.00 0.00 C ATOM 1452 C THR A 88 2.110 -27.771 19.906 1.00 0.00 C ATOM 1453 O THR A 88 2.803 -26.751 19.899 1.00 0.00 O ATOM 1454 CB THR A 88 -0.130 -27.146 20.843 1.00 0.00 C ATOM 1455 OG1 THR A 88 0.223 -25.757 20.935 1.00 0.00 O ATOM 1456 CG2 THR A 88 -1.199 -27.467 21.880 1.00 0.00 C ATOM 0 H THR A 88 1.779 -26.738 22.558 1.00 0.00 H new ATOM 0 HA THR A 88 0.823 -29.071 21.052 1.00 0.00 H new ATOM 0 HB THR A 88 -0.533 -27.359 19.853 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.070 -25.323 20.070 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.070 -26.834 21.712 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.489 -28.514 21.792 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.804 -27.283 22.879 1.00 0.00 H new ATOM 1464 N LEU A 89 2.206 -28.707 18.972 1.00 0.00 N ATOM 1465 CA LEU A 89 3.046 -28.523 17.793 1.00 0.00 C ATOM 1466 C LEU A 89 2.168 -28.482 16.547 1.00 0.00 C ATOM 1467 O LEU A 89 1.658 -29.512 16.101 1.00 0.00 O ATOM 1468 CB LEU A 89 4.099 -29.640 17.670 1.00 0.00 C ATOM 1469 CG LEU A 89 5.149 -29.720 18.800 1.00 0.00 C ATOM 1470 CD1 LEU A 89 5.807 -28.363 19.031 1.00 0.00 C ATOM 1471 CD2 LEU A 89 4.537 -30.258 20.095 1.00 0.00 C ATOM 0 H LEU A 89 1.714 -29.600 19.006 1.00 0.00 H new ATOM 0 HA LEU A 89 3.581 -27.579 17.895 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.578 -30.596 17.619 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.624 -29.512 16.724 1.00 0.00 H new ATOM 0 HG LEU A 89 5.921 -30.422 18.483 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.542 -28.447 19.831 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.302 -28.038 18.116 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.047 -27.633 19.311 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.303 -30.301 20.869 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.732 -29.599 20.418 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.140 -31.258 19.922 1.00 0.00 H new