USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 65 GLN :FLIP amide:sc= 0.503 F(o=-0.56,f=-0.046) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= -0.549 F(o=-0.56,f=-0.046) USER MOD Set 2.1: A 34 SER OG : rot 93:sc= 0.516 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.61! C(o=-3.1!,f=-9.9!) USER MOD Single : A 20 THR OG1 : rot 164:sc= -1.07 USER MOD Single : A 25 SER OG : rot 34:sc= 1.06 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.164 USER MOD Single : A 39 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.2!) USER MOD Single : A 41 SER OG : rot -51:sc= 0.00419 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 1.61 (180deg=1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.6) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.519 F(o=-1.6,f=-0.52) USER MOD Single : A 66 TYR OH : rot 133:sc= 0.508 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0.616 (180deg=0.268) USER MOD Single : A 73 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.1) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.22 F(o=-3.1!,f=-1.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.2 F(o=-0.89,f=-0.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.355 -22.941 -13.217 1.00 12.42 N ATOM 234 CA ALA A 17 29.536 -22.792 -14.656 1.00 42.35 C ATOM 235 C ALA A 17 29.601 -21.320 -15.051 1.00 62.44 C ATOM 236 O ALA A 17 29.030 -20.462 -14.379 1.00 42.53 O ATOM 237 CB ALA A 17 28.412 -23.493 -15.404 1.00 33.33 C ATOM 0 HA ALA A 17 30.484 -23.256 -14.929 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.560 -23.374 -16.477 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.414 -24.554 -15.153 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.456 -23.054 -15.118 1.00 33.33 H new ATOM 243 N ARG A 18 30.299 -21.037 -16.145 1.00 70.43 N ATOM 244 CA ARG A 18 30.440 -19.668 -16.629 1.00 32.44 C ATOM 245 C ARG A 18 29.171 -19.211 -17.342 1.00 34.41 C ATOM 246 O ARG A 18 28.364 -20.017 -17.804 1.00 12.32 O ATOM 247 CB ARG A 18 31.637 -19.560 -17.574 1.00 12.31 C ATOM 248 CG ARG A 18 32.831 -18.842 -16.966 1.00 64.34 C ATOM 249 CD ARG A 18 33.796 -18.358 -18.037 1.00 1.20 C ATOM 250 NE ARG A 18 33.991 -16.912 -17.985 1.00 31.54 N ATOM 251 CZ ARG A 18 34.625 -16.290 -16.997 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.123 -16.987 -15.983 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 34.762 -14.972 -17.020 1.00 25.53 N ATOM 0 H ARG A 18 30.776 -21.737 -16.714 1.00 70.43 H new ATOM 0 HA ARG A 18 30.606 -19.019 -15.769 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.942 -20.562 -17.876 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.329 -19.034 -18.478 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.485 -17.993 -16.377 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.351 -19.513 -16.283 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.756 -18.858 -17.912 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.417 -18.637 -19.020 1.00 1.20 H new ATOM 0 HE ARG A 18 33.620 -16.348 -18.750 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.019 -18.001 -15.962 1.00 5.14 H new ATOM 0 HH12 ARG A 18 35.610 -16.508 -15.225 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.380 -14.433 -17.797 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.249 -14.497 -16.260 1.00 25.53 H new ATOM 267 N PRO A 19 28.988 -17.885 -17.433 1.00 3.15 N ATOM 268 CA PRO A 19 27.820 -17.290 -18.089 1.00 23.40 C ATOM 269 C PRO A 19 27.838 -17.490 -19.601 1.00 70.32 C ATOM 270 O PRO A 19 28.855 -17.887 -20.173 1.00 5.33 O ATOM 271 CB PRO A 19 27.939 -15.803 -17.745 1.00 44.10 C ATOM 272 CG PRO A 19 29.393 -15.585 -17.503 1.00 71.22 C ATOM 273 CD PRO A 19 29.910 -16.865 -16.904 1.00 71.44 C ATOM 0 HA PRO A 19 26.889 -17.746 -17.754 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.575 -15.178 -18.560 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.349 -15.552 -16.863 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.913 -15.351 -18.432 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.555 -14.745 -16.828 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.940 -17.061 -17.202 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.894 -16.834 -15.815 1.00 71.44 H new ATOM 281 N THR A 20 26.709 -17.213 -20.244 1.00 62.41 N ATOM 282 CA THR A 20 26.595 -17.363 -21.688 1.00 11.43 C ATOM 283 C THR A 20 26.632 -16.009 -22.387 1.00 21.11 C ATOM 284 O THR A 20 26.313 -14.982 -21.789 1.00 33.42 O ATOM 285 CB THR A 20 25.295 -18.093 -22.076 1.00 72.41 C ATOM 286 OG1 THR A 20 25.370 -18.538 -23.436 1.00 51.10 O ATOM 287 CG2 THR A 20 24.090 -17.183 -21.901 1.00 52.22 C ATOM 0 H THR A 20 25.859 -16.883 -19.786 1.00 62.41 H new ATOM 0 HA THR A 20 27.448 -17.959 -22.012 1.00 11.43 H new ATOM 0 HB THR A 20 25.178 -18.954 -21.418 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.675 -19.209 -23.600 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.184 -17.721 -22.181 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.019 -16.870 -20.859 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.202 -16.305 -22.537 1.00 52.22 H new ATOM 295 N VAL A 21 27.024 -16.014 -23.658 1.00 64.42 N ATOM 296 CA VAL A 21 27.100 -14.785 -24.438 1.00 34.44 C ATOM 297 C VAL A 21 25.946 -14.691 -25.429 1.00 4.33 C ATOM 298 O VAL A 21 25.981 -15.302 -26.498 1.00 53.11 O ATOM 299 CB VAL A 21 28.431 -14.691 -25.207 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.523 -13.372 -25.958 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.608 -14.855 -24.256 1.00 42.33 C ATOM 0 H VAL A 21 27.293 -16.855 -24.168 1.00 64.42 H new ATOM 0 HA VAL A 21 27.037 -13.957 -23.732 1.00 34.44 H new ATOM 0 HB VAL A 21 28.466 -15.500 -25.937 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.470 -13.324 -26.495 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.699 -13.299 -26.668 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.465 -12.545 -25.250 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.541 -14.786 -24.816 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.579 -14.069 -23.502 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.549 -15.828 -23.768 1.00 42.33 H new ATOM 311 N ILE A 22 24.925 -13.922 -25.068 1.00 22.23 N ATOM 312 CA ILE A 22 23.760 -13.746 -25.928 1.00 2.23 C ATOM 313 C ILE A 22 23.421 -12.269 -26.099 1.00 11.25 C ATOM 314 O ILE A 22 23.481 -11.494 -25.146 1.00 71.43 O ATOM 315 CB ILE A 22 22.530 -14.482 -25.365 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.490 -15.922 -25.879 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.253 -13.744 -25.741 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.010 -16.934 -24.883 1.00 75.24 C ATOM 0 H ILE A 22 24.880 -13.411 -24.187 1.00 22.23 H new ATOM 0 HA ILE A 22 24.016 -14.172 -26.898 1.00 2.23 H new ATOM 0 HB ILE A 22 22.606 -14.506 -24.278 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.463 -16.177 -26.141 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.079 -15.989 -26.794 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.392 -14.276 -25.336 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.282 -12.735 -25.330 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.169 -13.692 -26.827 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.952 -17.933 -25.315 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.047 -16.704 -24.639 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.406 -16.895 -23.976 1.00 75.24 H new ATOM 330 N ARG A 23 23.063 -11.888 -27.321 1.00 22.13 N ATOM 331 CA ARG A 23 22.713 -10.504 -27.617 1.00 2.21 C ATOM 332 C ARG A 23 21.722 -10.430 -28.776 1.00 24.52 C ATOM 333 O ARG A 23 21.997 -10.916 -29.873 1.00 2.42 O ATOM 334 CB ARG A 23 23.970 -9.699 -27.955 1.00 42.34 C ATOM 335 CG ARG A 23 24.623 -9.053 -26.745 1.00 24.01 C ATOM 336 CD ARG A 23 25.936 -8.380 -27.113 1.00 73.43 C ATOM 337 NE ARG A 23 26.294 -7.326 -26.169 1.00 13.23 N ATOM 338 CZ ARG A 23 25.793 -6.096 -26.215 1.00 71.22 C ATOM 339 NH1 ARG A 23 24.917 -5.769 -27.154 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 26.169 -5.191 -25.320 1.00 52.22 N ATOM 0 H ARG A 23 23.008 -12.518 -28.121 1.00 22.13 H new ATOM 0 HA ARG A 23 22.243 -10.077 -26.731 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.692 -10.356 -28.440 1.00 42.34 H new ATOM 0 HB3 ARG A 23 23.711 -8.923 -28.675 1.00 42.34 H new ATOM 0 HG2 ARG A 23 23.944 -8.317 -26.313 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.802 -9.809 -25.980 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.730 -9.126 -27.142 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.859 -7.958 -28.115 1.00 73.43 H new ATOM 0 HE ARG A 23 26.966 -7.546 -25.433 1.00 13.23 H new ATOM 0 HH11 ARG A 23 24.626 -6.462 -27.843 1.00 41.22 H new ATOM 0 HH12 ARG A 23 24.534 -4.824 -27.187 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.843 -5.439 -24.596 1.00 52.22 H new ATOM 0 HH22 ARG A 23 25.784 -4.247 -25.356 1.00 52.22 H new ATOM 354 N TRP A 24 20.569 -9.821 -28.522 1.00 71.11 N ATOM 355 CA TRP A 24 19.537 -9.684 -29.544 1.00 14.11 C ATOM 356 C TRP A 24 19.079 -8.235 -29.663 1.00 74.11 C ATOM 357 O TRP A 24 18.806 -7.575 -28.660 1.00 40.02 O ATOM 358 CB TRP A 24 18.344 -10.584 -29.216 1.00 23.53 C ATOM 359 CG TRP A 24 17.171 -10.368 -30.123 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.125 -9.514 -29.920 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.923 -11.019 -31.374 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.242 -9.595 -30.970 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.710 -10.510 -31.875 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.610 -11.980 -32.121 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.169 -10.931 -33.087 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.072 -12.398 -33.323 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.863 -11.874 -33.797 1.00 42.54 C ATOM 0 H TRP A 24 20.325 -9.415 -27.619 1.00 71.11 H new ATOM 0 HA TRP A 24 19.963 -9.990 -30.499 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.656 -11.626 -29.279 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.036 -10.406 -28.186 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.009 -8.870 -29.061 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.378 -9.060 -31.061 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.544 -12.388 -31.765 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.236 -10.529 -33.454 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.593 -13.142 -33.907 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.470 -12.221 -34.741 1.00 42.54 H new ATOM 378 N SER A 25 18.995 -7.744 -30.896 1.00 14.13 N ATOM 379 CA SER A 25 18.571 -6.372 -31.145 1.00 42.24 C ATOM 380 C SER A 25 17.564 -6.312 -32.289 1.00 64.44 C ATOM 381 O SER A 25 17.922 -6.490 -33.453 1.00 51.21 O ATOM 382 CB SER A 25 19.781 -5.494 -31.469 1.00 73.05 C ATOM 383 OG SER A 25 20.397 -5.902 -32.679 1.00 65.11 O ATOM 0 H SER A 25 19.215 -8.277 -31.738 1.00 14.13 H new ATOM 0 HA SER A 25 18.089 -5.997 -30.242 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.468 -4.453 -31.549 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.502 -5.548 -30.654 1.00 73.05 H new ATOM 0 HG SER A 25 19.713 -6.228 -33.301 1.00 65.11 H new ATOM 389 N GLU A 26 16.305 -6.063 -31.949 1.00 53.54 N ATOM 390 CA GLU A 26 15.245 -5.981 -32.948 1.00 53.15 C ATOM 391 C GLU A 26 14.206 -4.935 -32.555 1.00 73.25 C ATOM 392 O GLU A 26 14.014 -3.941 -33.255 1.00 53.42 O ATOM 393 CB GLU A 26 14.571 -7.345 -33.121 1.00 25.03 C ATOM 394 CG GLU A 26 13.803 -7.482 -34.425 1.00 61.21 C ATOM 395 CD GLU A 26 14.714 -7.531 -35.636 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.179 -8.635 -35.985 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.961 -6.463 -36.235 1.00 31.44 O ATOM 0 H GLU A 26 15.993 -5.914 -30.989 1.00 53.54 H new ATOM 0 HA GLU A 26 15.695 -5.683 -33.895 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.331 -8.125 -33.073 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.889 -7.512 -32.288 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.199 -8.388 -34.393 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.114 -6.643 -34.527 1.00 61.21 H new ATOM 404 N GLY A 27 13.537 -5.166 -31.430 1.00 44.43 N ATOM 405 CA GLY A 27 12.527 -4.236 -30.962 1.00 31.34 C ATOM 406 C GLY A 27 11.197 -4.913 -30.689 1.00 63.32 C ATOM 407 O GLY A 27 10.138 -4.345 -30.952 1.00 61.55 O ATOM 0 H GLY A 27 13.677 -5.982 -30.834 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.878 -3.751 -30.051 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.386 -3.452 -31.706 1.00 31.34 H new ATOM 411 N GLY A 28 11.254 -6.131 -30.159 1.00 21.34 N ATOM 412 CA GLY A 28 10.039 -6.866 -29.861 1.00 62.33 C ATOM 413 C GLY A 28 9.442 -6.481 -28.521 1.00 50.05 C ATOM 414 O GLY A 28 9.779 -5.438 -27.959 1.00 23.31 O ATOM 0 H GLY A 28 12.119 -6.621 -29.931 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.306 -6.685 -30.647 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.254 -7.935 -29.866 1.00 62.33 H new ATOM 418 N LYS A 29 8.551 -7.322 -28.008 1.00 15.42 N ATOM 419 CA LYS A 29 7.905 -7.064 -26.727 1.00 45.44 C ATOM 420 C LYS A 29 8.504 -7.938 -25.630 1.00 12.10 C ATOM 421 O LYS A 29 8.624 -7.512 -24.481 1.00 63.53 O ATOM 422 CB LYS A 29 6.399 -7.319 -26.831 1.00 41.32 C ATOM 423 CG LYS A 29 5.745 -6.624 -28.014 1.00 72.44 C ATOM 424 CD LYS A 29 5.740 -5.115 -27.840 1.00 52.45 C ATOM 425 CE LYS A 29 6.983 -4.480 -28.444 1.00 71.52 C ATOM 426 NZ LYS A 29 6.701 -3.127 -28.999 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.260 -8.189 -28.460 1.00 15.42 H new ATOM 0 HA LYS A 29 8.074 -6.019 -26.468 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.225 -8.392 -26.909 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.918 -6.984 -25.912 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.277 -6.884 -28.929 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.722 -6.982 -28.127 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.851 -4.696 -28.311 1.00 52.45 H new ATOM 0 HD3 LYS A 29 5.684 -4.870 -26.779 1.00 52.45 H new ATOM 0 HE2 LYS A 29 7.759 -4.406 -27.682 1.00 71.52 H new ATOM 0 HE3 LYS A 29 7.372 -5.123 -29.234 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 7.573 -2.728 -29.401 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 5.979 -3.201 -29.743 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 6.354 -2.506 -28.240 1.00 53.32 H new ATOM 440 N GLU A 30 8.879 -9.161 -25.992 1.00 44.21 N ATOM 441 CA GLU A 30 9.466 -10.094 -25.036 1.00 11.54 C ATOM 442 C GLU A 30 10.423 -11.057 -25.734 1.00 2.32 C ATOM 443 O GLU A 30 10.094 -11.634 -26.771 1.00 51.51 O ATOM 444 CB GLU A 30 8.368 -10.880 -24.317 1.00 14.34 C ATOM 445 CG GLU A 30 7.647 -11.874 -25.211 1.00 21.41 C ATOM 446 CD GLU A 30 6.159 -11.941 -24.926 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.770 -11.777 -23.750 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.382 -12.157 -25.880 1.00 2.20 O ATOM 0 H GLU A 30 8.787 -9.529 -26.939 1.00 44.21 H new ATOM 0 HA GLU A 30 10.029 -9.517 -24.302 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.807 -11.414 -23.474 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.641 -10.180 -23.906 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.801 -11.598 -26.254 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.084 -12.863 -25.075 1.00 21.41 H new ATOM 455 N VAL A 31 11.609 -11.224 -25.159 1.00 1.21 N ATOM 456 CA VAL A 31 12.614 -12.116 -25.724 1.00 20.01 C ATOM 457 C VAL A 31 12.995 -13.211 -24.734 1.00 24.24 C ATOM 458 O VAL A 31 13.215 -12.946 -23.552 1.00 60.13 O ATOM 459 CB VAL A 31 13.883 -11.345 -26.132 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.876 -12.274 -26.814 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.527 -10.175 -27.037 1.00 53.33 C ATOM 0 H VAL A 31 11.898 -10.753 -24.302 1.00 1.21 H new ATOM 0 HA VAL A 31 12.172 -12.569 -26.611 1.00 20.01 H new ATOM 0 HB VAL A 31 14.352 -10.949 -25.231 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.766 -11.712 -27.095 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.154 -13.075 -26.129 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.420 -12.702 -27.707 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.435 -9.641 -27.316 1.00 53.33 H new ATOM 0 HG22 VAL A 31 13.034 -10.547 -27.935 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.856 -9.498 -26.509 1.00 53.33 H new ATOM 471 N PHE A 32 13.070 -14.444 -25.225 1.00 63.42 N ATOM 472 CA PHE A 32 13.424 -15.582 -24.383 1.00 64.12 C ATOM 473 C PHE A 32 14.395 -16.511 -25.106 1.00 21.54 C ATOM 474 O PHE A 32 14.388 -16.600 -26.334 1.00 42.43 O ATOM 475 CB PHE A 32 12.167 -16.355 -23.978 1.00 75.51 C ATOM 476 CG PHE A 32 11.261 -15.585 -23.060 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.414 -15.669 -21.686 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.256 -14.779 -23.571 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.582 -14.962 -20.837 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.421 -14.070 -22.728 1.00 3.23 C ATOM 481 CZ PHE A 32 9.584 -14.163 -21.359 1.00 24.12 C ATOM 0 H PHE A 32 12.891 -14.681 -26.201 1.00 63.42 H new ATOM 0 HA PHE A 32 13.912 -15.201 -23.486 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.613 -16.629 -24.876 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.462 -17.284 -23.490 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.192 -16.294 -21.273 1.00 72.34 H new ATOM 0 HD2 PHE A 32 10.124 -14.704 -24.640 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.713 -15.035 -19.767 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.642 -13.444 -23.139 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.932 -13.612 -20.698 1.00 24.12 H new ATOM 491 N ILE A 33 15.229 -17.200 -24.334 1.00 13.35 N ATOM 492 CA ILE A 33 16.206 -18.122 -24.900 1.00 22.33 C ATOM 493 C ILE A 33 16.040 -19.523 -24.320 1.00 62.43 C ATOM 494 O ILE A 33 15.743 -19.685 -23.136 1.00 63.03 O ATOM 495 CB ILE A 33 17.647 -17.642 -24.646 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.646 -18.554 -25.362 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.937 -17.601 -23.153 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.090 -18.223 -25.060 1.00 22.31 C ATOM 0 H ILE A 33 15.248 -17.137 -23.316 1.00 13.35 H new ATOM 0 HA ILE A 33 16.026 -18.152 -25.975 1.00 22.33 H new ATOM 0 HB ILE A 33 17.753 -16.633 -25.045 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.451 -19.588 -25.076 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.483 -18.484 -26.437 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.959 -17.260 -22.990 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.244 -16.915 -22.666 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.816 -18.599 -22.731 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.741 -18.909 -25.601 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.302 -17.200 -25.372 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.269 -18.321 -23.989 1.00 22.31 H new ATOM 510 N SER A 34 16.233 -20.533 -25.162 1.00 25.03 N ATOM 511 CA SER A 34 16.102 -21.921 -24.733 1.00 60.30 C ATOM 512 C SER A 34 17.026 -22.828 -25.541 1.00 10.42 C ATOM 513 O SER A 34 17.168 -22.668 -26.752 1.00 43.22 O ATOM 514 CB SER A 34 14.654 -22.388 -24.881 1.00 31.12 C ATOM 515 OG SER A 34 14.457 -23.645 -24.257 1.00 65.53 O ATOM 0 H SER A 34 16.480 -20.417 -26.145 1.00 25.03 H new ATOM 0 HA SER A 34 16.389 -21.980 -23.683 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.984 -21.650 -24.440 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.398 -22.459 -25.938 1.00 31.12 H new ATOM 0 HG SER A 34 14.153 -23.509 -23.335 1.00 65.53 H new ATOM 521 N GLY A 35 17.654 -23.782 -24.859 1.00 50.42 N ATOM 522 CA GLY A 35 18.556 -24.700 -25.527 1.00 51.10 C ATOM 523 C GLY A 35 18.584 -26.066 -24.870 1.00 32.54 C ATOM 524 O GLY A 35 17.709 -26.397 -24.071 1.00 42.30 O ATOM 0 H GLY A 35 17.553 -23.935 -23.856 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.254 -24.807 -26.569 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.562 -24.280 -25.528 1.00 51.10 H new ATOM 528 N SER A 36 19.593 -26.863 -25.208 1.00 50.42 N ATOM 529 CA SER A 36 19.729 -28.204 -24.650 1.00 60.21 C ATOM 530 C SER A 36 20.178 -28.142 -23.193 1.00 34.32 C ATOM 531 O SER A 36 20.049 -29.115 -22.450 1.00 45.21 O ATOM 532 CB SER A 36 20.729 -29.021 -25.469 1.00 64.21 C ATOM 533 OG SER A 36 22.040 -28.498 -25.342 1.00 43.11 O ATOM 0 H SER A 36 20.328 -26.603 -25.866 1.00 50.42 H new ATOM 0 HA SER A 36 18.754 -28.689 -24.692 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.714 -30.059 -25.136 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.433 -29.018 -26.518 1.00 64.21 H new ATOM 0 HG SER A 36 22.661 -29.039 -25.874 1.00 43.11 H new ATOM 539 N PHE A 37 20.704 -26.990 -22.791 1.00 5.12 N ATOM 540 CA PHE A 37 21.173 -26.800 -21.423 1.00 1.32 C ATOM 541 C PHE A 37 20.023 -26.939 -20.429 1.00 52.10 C ATOM 542 O PHE A 37 20.242 -27.127 -19.234 1.00 24.42 O ATOM 543 CB PHE A 37 21.829 -25.426 -21.273 1.00 52.43 C ATOM 544 CG PHE A 37 20.946 -24.290 -21.701 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.006 -23.760 -20.834 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.056 -23.752 -22.974 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.191 -22.714 -21.226 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.245 -22.706 -23.372 1.00 24.25 C ATOM 549 CZ PHE A 37 19.310 -22.187 -22.497 1.00 63.21 C ATOM 0 H PHE A 37 20.816 -26.174 -23.393 1.00 5.12 H new ATOM 0 HA PHE A 37 21.911 -27.573 -21.208 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.115 -25.281 -20.231 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.746 -25.404 -21.861 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.908 -24.169 -19.839 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.784 -24.155 -23.663 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.462 -22.310 -20.539 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.342 -22.295 -24.366 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.674 -21.371 -22.806 1.00 63.21 H new ATOM 559 N ASN A 38 18.798 -26.844 -20.935 1.00 73.11 N ATOM 560 CA ASN A 38 17.612 -26.957 -20.093 1.00 10.42 C ATOM 561 C ASN A 38 16.629 -27.970 -20.671 1.00 21.43 C ATOM 562 O ASN A 38 15.475 -28.039 -20.252 1.00 31.21 O ATOM 563 CB ASN A 38 16.933 -25.595 -19.947 1.00 72.03 C ATOM 564 CG ASN A 38 16.012 -25.280 -21.110 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.826 -25.608 -21.083 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.556 -24.641 -22.139 1.00 44.21 N ATOM 0 H ASN A 38 18.600 -26.689 -21.924 1.00 73.11 H new ATOM 0 HA ASN A 38 17.927 -27.305 -19.109 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.362 -25.575 -19.019 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.694 -24.819 -19.870 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.986 -24.402 -22.950 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.544 -24.389 -22.118 1.00 44.21 H new ATOM 573 N ASN A 39 17.095 -28.753 -21.639 1.00 32.24 N ATOM 574 CA ASN A 39 16.257 -29.762 -22.275 1.00 20.50 C ATOM 575 C ASN A 39 15.085 -29.113 -23.007 1.00 23.03 C ATOM 576 O ASN A 39 14.070 -29.759 -23.270 1.00 14.24 O ATOM 577 CB ASN A 39 15.735 -30.754 -21.233 1.00 75.11 C ATOM 578 CG ASN A 39 15.535 -32.143 -21.808 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.982 -32.440 -22.915 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.859 -33.003 -21.054 1.00 64.12 N ATOM 0 H ASN A 39 18.048 -28.708 -22.000 1.00 32.24 H new ATOM 0 HA ASN A 39 16.866 -30.298 -23.003 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.437 -30.806 -20.401 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.789 -30.390 -20.831 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.693 -33.953 -21.387 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.506 -32.714 -20.142 1.00 64.12 H new ATOM 587 N TRP A 40 15.234 -27.835 -23.331 1.00 1.42 N ATOM 588 CA TRP A 40 14.189 -27.098 -24.034 1.00 70.44 C ATOM 589 C TRP A 40 12.847 -27.247 -23.324 1.00 14.41 C ATOM 590 O TRP A 40 11.797 -27.288 -23.964 1.00 75.11 O ATOM 591 CB TRP A 40 14.072 -27.588 -25.478 1.00 13.40 C ATOM 592 CG TRP A 40 15.382 -27.607 -26.206 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.391 -28.514 -26.053 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.823 -26.675 -27.199 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.434 -28.202 -26.892 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.110 -27.078 -27.606 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.256 -25.540 -27.786 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.837 -26.386 -28.571 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.979 -24.853 -28.742 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.257 -25.278 -29.128 1.00 62.54 C ATOM 0 H TRP A 40 16.067 -27.287 -23.119 1.00 1.42 H new ATOM 0 HA TRP A 40 14.463 -26.043 -24.037 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.648 -28.592 -25.480 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.374 -26.947 -26.017 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.372 -29.353 -25.373 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.308 -28.723 -26.970 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.270 -25.206 -27.497 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.823 -26.711 -28.869 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.552 -23.973 -29.200 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.795 -24.720 -29.880 1.00 62.54 H new ATOM 611 N SER A 41 12.891 -27.326 -21.997 1.00 25.55 N ATOM 612 CA SER A 41 11.678 -27.474 -21.201 1.00 24.31 C ATOM 613 C SER A 41 11.389 -26.202 -20.410 1.00 73.12 C ATOM 614 O SER A 41 10.562 -26.198 -19.496 1.00 72.53 O ATOM 615 CB SER A 41 11.811 -28.662 -20.246 1.00 23.43 C ATOM 616 OG SER A 41 10.541 -29.199 -19.920 1.00 55.35 O ATOM 0 H SER A 41 13.752 -27.290 -21.452 1.00 25.55 H new ATOM 0 HA SER A 41 10.846 -27.655 -21.882 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.429 -29.434 -20.705 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.320 -28.346 -19.336 1.00 23.43 H new ATOM 0 HG SER A 41 9.946 -28.478 -19.626 1.00 55.35 H new ATOM 622 N THR A 42 12.075 -25.121 -20.769 1.00 74.23 N ATOM 623 CA THR A 42 11.895 -23.842 -20.093 1.00 14.13 C ATOM 624 C THR A 42 12.528 -22.706 -20.888 1.00 20.24 C ATOM 625 O THR A 42 13.553 -22.889 -21.544 1.00 53.41 O ATOM 626 CB THR A 42 12.503 -23.863 -18.678 1.00 54.43 C ATOM 627 OG1 THR A 42 12.267 -22.610 -18.025 1.00 52.32 O ATOM 628 CG2 THR A 42 13.997 -24.139 -18.735 1.00 23.45 C ATOM 0 H THR A 42 12.760 -25.106 -21.524 1.00 74.23 H new ATOM 0 HA THR A 42 10.821 -23.674 -20.016 1.00 14.13 H new ATOM 0 HB THR A 42 12.024 -24.662 -18.112 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.655 -22.632 -17.125 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.404 -24.149 -17.724 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.171 -25.107 -19.206 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.489 -23.359 -19.316 1.00 23.45 H new ATOM 636 N LYS A 43 11.910 -21.531 -20.827 1.00 1.11 N ATOM 637 CA LYS A 43 12.414 -20.363 -21.540 1.00 64.11 C ATOM 638 C LYS A 43 13.100 -19.394 -20.582 1.00 3.12 C ATOM 639 O LYS A 43 12.480 -18.892 -19.644 1.00 72.24 O ATOM 640 CB LYS A 43 11.271 -19.652 -22.268 1.00 65.14 C ATOM 641 CG LYS A 43 11.213 -19.958 -23.755 1.00 42.20 C ATOM 642 CD LYS A 43 10.304 -18.988 -24.489 1.00 2.13 C ATOM 643 CE LYS A 43 9.182 -19.716 -25.215 1.00 63.12 C ATOM 644 NZ LYS A 43 7.886 -18.993 -25.097 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.059 -21.362 -20.291 1.00 1.11 H new ATOM 0 HA LYS A 43 13.147 -20.704 -22.271 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.325 -19.939 -21.809 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.378 -18.576 -22.131 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.217 -19.908 -24.177 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.855 -20.977 -23.904 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.879 -18.278 -23.779 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.889 -18.411 -25.206 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.442 -19.826 -26.268 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.076 -20.721 -24.806 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.128 -19.569 -25.516 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.675 -18.820 -24.093 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.948 -18.084 -25.599 1.00 4.54 H new ATOM 658 N ILE A 44 14.380 -19.137 -20.824 1.00 22.14 N ATOM 659 CA ILE A 44 15.149 -18.227 -19.984 1.00 54.22 C ATOM 660 C ILE A 44 14.902 -16.775 -20.379 1.00 22.01 C ATOM 661 O ILE A 44 14.946 -16.409 -21.553 1.00 31.33 O ATOM 662 CB ILE A 44 16.658 -18.521 -20.069 1.00 4.25 C ATOM 663 CG1 ILE A 44 17.024 -19.690 -19.153 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.461 -17.282 -19.701 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.423 -21.010 -19.587 1.00 62.32 C ATOM 0 H ILE A 44 14.907 -19.546 -21.595 1.00 22.14 H new ATOM 0 HA ILE A 44 14.814 -18.385 -18.959 1.00 54.22 H new ATOM 0 HB ILE A 44 16.902 -18.797 -21.095 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.109 -19.788 -19.119 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.692 -19.465 -18.140 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.526 -17.506 -19.766 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.218 -16.473 -20.390 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.215 -16.978 -18.683 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.725 -21.793 -18.892 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.336 -20.930 -19.594 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.775 -21.258 -20.588 1.00 62.32 H new ATOM 677 N PRO A 45 14.638 -15.926 -19.374 1.00 72.14 N ATOM 678 CA PRO A 45 14.383 -14.498 -19.591 1.00 74.30 C ATOM 679 C PRO A 45 15.633 -13.746 -20.030 1.00 3.41 C ATOM 680 O PRO A 45 16.717 -13.947 -19.480 1.00 31.12 O ATOM 681 CB PRO A 45 13.917 -14.009 -18.217 1.00 2.44 C ATOM 682 CG PRO A 45 14.526 -14.964 -17.249 1.00 44.21 C ATOM 683 CD PRO A 45 14.570 -16.293 -17.950 1.00 20.33 C ATOM 0 HA PRO A 45 13.658 -14.329 -20.387 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.248 -12.988 -18.027 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.829 -14.011 -18.144 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.526 -14.642 -16.960 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.934 -15.024 -16.336 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.436 -16.880 -17.645 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.686 -16.892 -17.731 1.00 20.33 H new ATOM 691 N LEU A 46 15.477 -12.876 -21.022 1.00 64.14 N ATOM 692 CA LEU A 46 16.595 -12.091 -21.535 1.00 65.52 C ATOM 693 C LEU A 46 16.663 -10.729 -20.850 1.00 32.13 C ATOM 694 O LEU A 46 15.823 -9.862 -21.088 1.00 65.14 O ATOM 695 CB LEU A 46 16.464 -11.908 -23.048 1.00 61.33 C ATOM 696 CG LEU A 46 17.455 -12.693 -23.908 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.977 -14.123 -24.103 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.655 -12.006 -25.251 1.00 72.32 C ATOM 0 H LEU A 46 14.587 -12.696 -21.487 1.00 64.14 H new ATOM 0 HA LEU A 46 17.516 -12.632 -21.320 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.454 -12.193 -23.342 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.576 -10.848 -23.277 1.00 61.33 H new ATOM 0 HG LEU A 46 18.414 -12.721 -23.391 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.695 -14.666 -24.717 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.887 -14.612 -23.133 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.006 -14.118 -24.599 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.363 -12.578 -25.850 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.701 -11.947 -25.775 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.044 -11.001 -25.091 1.00 72.32 H new ATOM 710 N ILE A 47 17.670 -10.550 -20.002 1.00 14.12 N ATOM 711 CA ILE A 47 17.850 -9.293 -19.286 1.00 74.30 C ATOM 712 C ILE A 47 17.824 -8.106 -20.243 1.00 14.44 C ATOM 713 O ILE A 47 18.788 -7.858 -20.969 1.00 31.41 O ATOM 714 CB ILE A 47 19.174 -9.277 -18.501 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.239 -10.468 -17.543 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.323 -7.968 -17.740 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.116 -10.490 -16.530 1.00 44.14 C ATOM 0 H ILE A 47 18.373 -11.259 -19.794 1.00 14.12 H new ATOM 0 HA ILE A 47 17.020 -9.208 -18.584 1.00 74.30 H new ATOM 0 HB ILE A 47 20.000 -9.359 -19.208 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.214 -11.391 -18.122 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.193 -10.448 -17.016 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.264 -7.972 -17.190 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.317 -7.135 -18.444 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.494 -7.857 -17.041 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.226 -11.361 -15.884 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.153 -9.583 -15.926 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.159 -10.541 -17.049 1.00 44.14 H new ATOM 729 N LYS A 48 16.716 -7.374 -20.239 1.00 15.21 N ATOM 730 CA LYS A 48 16.564 -6.209 -21.105 1.00 3.13 C ATOM 731 C LYS A 48 17.557 -5.116 -20.724 1.00 43.44 C ATOM 732 O LYS A 48 17.525 -4.598 -19.608 1.00 42.12 O ATOM 733 CB LYS A 48 15.135 -5.669 -21.021 1.00 15.03 C ATOM 734 CG LYS A 48 14.532 -5.333 -22.373 1.00 21.42 C ATOM 735 CD LYS A 48 13.013 -5.353 -22.327 1.00 24.00 C ATOM 736 CE LYS A 48 12.481 -6.763 -22.120 1.00 64.10 C ATOM 737 NZ LYS A 48 11.131 -6.940 -22.724 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.909 -7.566 -19.646 1.00 15.21 H new ATOM 0 HA LYS A 48 16.768 -6.519 -22.130 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.505 -6.407 -20.525 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.129 -4.775 -20.398 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.874 -4.348 -22.690 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.884 -6.048 -23.117 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.664 -4.709 -21.520 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.614 -4.945 -23.256 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.173 -7.481 -22.561 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.433 -6.980 -21.053 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 10.803 -7.914 -22.562 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 10.464 -6.273 -22.286 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 11.182 -6.758 -23.747 1.00 1.32 H new ATOM 751 N SER A 49 18.435 -4.768 -21.659 1.00 43.44 N ATOM 752 CA SER A 49 19.437 -3.737 -21.421 1.00 72.14 C ATOM 753 C SER A 49 19.024 -2.417 -22.065 1.00 60.13 C ATOM 754 O SER A 49 18.107 -2.374 -22.886 1.00 5.42 O ATOM 755 CB SER A 49 20.796 -4.181 -21.967 1.00 41.12 C ATOM 756 OG SER A 49 21.857 -3.580 -21.244 1.00 21.32 O ATOM 0 H SER A 49 18.472 -5.185 -22.589 1.00 43.44 H new ATOM 0 HA SER A 49 19.517 -3.586 -20.345 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.879 -5.266 -21.906 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.873 -3.914 -23.021 1.00 41.12 H new ATOM 0 HG SER A 49 22.714 -3.881 -21.611 1.00 21.32 H new ATOM 762 N HIS A 50 19.707 -1.341 -21.686 1.00 41.43 N ATOM 763 CA HIS A 50 19.412 -0.019 -22.228 1.00 30.33 C ATOM 764 C HIS A 50 19.751 0.048 -23.714 1.00 5.15 C ATOM 765 O HIS A 50 19.236 0.897 -24.440 1.00 32.14 O ATOM 766 CB HIS A 50 20.192 1.053 -21.465 1.00 41.03 C ATOM 767 CG HIS A 50 19.562 1.440 -20.164 1.00 40.43 C ATOM 768 ND1 HIS A 50 20.006 2.497 -19.398 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.513 0.907 -19.494 1.00 70.45 C ATOM 770 CE1 HIS A 50 19.260 2.597 -18.312 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.346 1.642 -18.347 1.00 34.54 N ATOM 0 H HIS A 50 20.468 -1.359 -21.007 1.00 41.43 H new ATOM 0 HA HIS A 50 18.344 0.165 -22.110 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.202 0.690 -21.276 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.284 1.939 -22.093 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.918 0.061 -19.804 1.00 70.45 H new ATOM 0 HE1 HIS A 50 19.377 3.333 -17.530 1.00 0.03 H new ATOM 0 HE2 HIS A 50 17.633 1.478 -17.637 1.00 34.54 H new ATOM 779 N ASN A 51 20.621 -0.853 -24.158 1.00 15.24 N ATOM 780 CA ASN A 51 21.030 -0.895 -25.557 1.00 64.25 C ATOM 781 C ASN A 51 20.226 -1.937 -26.328 1.00 63.54 C ATOM 782 O ASN A 51 19.559 -1.618 -27.313 1.00 35.54 O ATOM 783 CB ASN A 51 22.524 -1.206 -25.665 1.00 63.32 C ATOM 784 CG ASN A 51 23.146 -0.628 -26.922 1.00 44.03 C ATOM 785 OD1 ASN A 51 22.663 -0.860 -28.029 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.225 0.129 -26.753 1.00 71.10 N ATOM 0 H ASN A 51 21.056 -1.564 -23.570 1.00 15.24 H new ATOM 0 HA ASN A 51 20.837 0.084 -25.995 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.039 -0.807 -24.791 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.669 -2.286 -25.655 1.00 63.32 H new ATOM 0 HD21 ASN A 51 24.688 0.545 -27.561 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.590 0.294 -25.815 1.00 71.10 H new ATOM 793 N ASP A 52 20.292 -3.183 -25.873 1.00 2.33 N ATOM 794 CA ASP A 52 19.569 -4.273 -26.518 1.00 51.51 C ATOM 795 C ASP A 52 19.278 -5.394 -25.526 1.00 40.41 C ATOM 796 O ASP A 52 19.468 -5.235 -24.320 1.00 50.31 O ATOM 797 CB ASP A 52 20.373 -4.818 -27.700 1.00 20.42 C ATOM 798 CG ASP A 52 20.797 -3.727 -28.663 1.00 4.32 C ATOM 799 OD1 ASP A 52 19.929 -3.212 -29.398 1.00 62.31 O ATOM 800 OD2 ASP A 52 21.999 -3.386 -28.681 1.00 62.02 O1- ATOM 0 H ASP A 52 20.839 -3.464 -25.059 1.00 2.33 H new ATOM 0 HA ASP A 52 18.620 -3.880 -26.884 1.00 51.51 H new ATOM 0 HB2 ASP A 52 21.258 -5.334 -27.327 1.00 20.42 H new ATOM 0 HB3 ASP A 52 19.775 -5.557 -28.233 1.00 20.42 H new ATOM 805 N PHE A 53 18.814 -6.528 -26.041 1.00 23.22 N ATOM 806 CA PHE A 53 18.493 -7.675 -25.200 1.00 74.32 C ATOM 807 C PHE A 53 19.710 -8.581 -25.029 1.00 74.52 C ATOM 808 O PHE A 53 20.576 -8.647 -25.900 1.00 63.11 O ATOM 809 CB PHE A 53 17.334 -8.470 -25.805 1.00 20.02 C ATOM 810 CG PHE A 53 16.099 -7.647 -26.034 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.991 -6.831 -27.148 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.046 -7.690 -25.134 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.855 -6.073 -27.362 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.907 -6.934 -25.343 1.00 25.13 C ATOM 815 CZ PHE A 53 13.812 -6.124 -26.458 1.00 23.43 C ATOM 0 H PHE A 53 18.652 -6.677 -27.037 1.00 23.22 H new ATOM 0 HA PHE A 53 18.197 -7.303 -24.219 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.655 -8.901 -26.753 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.090 -9.301 -25.144 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.804 -6.786 -27.858 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.116 -8.321 -24.260 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.783 -5.442 -28.235 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.092 -6.977 -24.635 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.924 -5.532 -26.623 1.00 23.43 H new ATOM 825 N VAL A 54 19.769 -9.275 -23.897 1.00 60.01 N ATOM 826 CA VAL A 54 20.877 -10.177 -23.609 1.00 21.43 C ATOM 827 C VAL A 54 20.438 -11.316 -22.696 1.00 43.31 C ATOM 828 O VAL A 54 19.427 -11.214 -22.002 1.00 73.14 O ATOM 829 CB VAL A 54 22.052 -9.430 -22.951 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.712 -8.488 -23.947 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.578 -8.671 -21.721 1.00 4.03 C ATOM 0 H VAL A 54 19.061 -9.229 -23.164 1.00 60.01 H new ATOM 0 HA VAL A 54 21.206 -10.588 -24.564 1.00 21.43 H new ATOM 0 HB VAL A 54 22.794 -10.163 -22.635 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.540 -7.969 -23.464 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.088 -9.060 -24.795 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.982 -7.759 -24.297 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.421 -8.149 -21.268 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.816 -7.947 -22.011 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.156 -9.372 -21.001 1.00 4.03 H new ATOM 841 N ALA A 55 21.205 -12.401 -22.701 1.00 4.51 N ATOM 842 CA ALA A 55 20.896 -13.559 -21.871 1.00 54.01 C ATOM 843 C ALA A 55 22.122 -14.017 -21.089 1.00 32.03 C ATOM 844 O ALA A 55 23.243 -13.982 -21.600 1.00 42.01 O ATOM 845 CB ALA A 55 20.359 -14.695 -22.729 1.00 40.42 C ATOM 0 H ALA A 55 22.045 -12.502 -23.271 1.00 4.51 H new ATOM 0 HA ALA A 55 20.129 -13.267 -21.154 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.133 -15.553 -22.096 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.451 -14.369 -23.237 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.108 -14.977 -23.469 1.00 40.42 H new ATOM 851 N ILE A 56 21.903 -14.445 -19.851 1.00 34.40 N ATOM 852 CA ILE A 56 22.992 -14.909 -19.000 1.00 21.40 C ATOM 853 C ILE A 56 22.586 -16.155 -18.219 1.00 72.24 C ATOM 854 O ILE A 56 21.603 -16.143 -17.477 1.00 72.43 O ATOM 855 CB ILE A 56 23.437 -13.819 -18.009 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.882 -12.564 -18.763 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.560 -14.335 -17.121 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.068 -12.794 -19.673 1.00 74.44 C ATOM 0 H ILE A 56 20.982 -14.480 -19.415 1.00 34.40 H new ATOM 0 HA ILE A 56 23.826 -15.151 -19.659 1.00 21.40 H new ATOM 0 HB ILE A 56 22.589 -13.559 -17.375 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.047 -12.191 -19.356 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.133 -11.787 -18.042 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.863 -13.552 -16.426 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.211 -15.203 -16.561 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.411 -14.621 -17.739 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.328 -11.862 -20.175 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.918 -13.138 -19.083 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.814 -13.548 -20.418 1.00 74.44 H new ATOM 870 N LEU A 57 23.349 -17.229 -18.391 1.00 23.15 N ATOM 871 CA LEU A 57 23.071 -18.484 -17.701 1.00 22.42 C ATOM 872 C LEU A 57 24.347 -19.298 -17.516 1.00 52.54 C ATOM 873 O LEU A 57 25.167 -19.402 -18.429 1.00 60.35 O ATOM 874 CB LEU A 57 22.039 -19.300 -18.481 1.00 74.01 C ATOM 875 CG LEU A 57 22.056 -19.125 -20.000 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.579 -20.395 -20.688 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.194 -17.938 -20.410 1.00 20.50 C ATOM 0 H LEU A 57 24.165 -17.256 -19.002 1.00 23.15 H new ATOM 0 HA LEU A 57 22.668 -18.247 -16.716 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.193 -20.355 -18.255 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.046 -19.037 -18.116 1.00 74.01 H new ATOM 0 HG LEU A 57 23.082 -18.929 -20.313 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.598 -20.252 -21.768 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.236 -21.223 -20.420 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.561 -20.621 -20.369 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.218 -17.828 -21.494 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.167 -18.104 -20.085 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.579 -17.031 -19.945 1.00 20.50 H new ATOM 889 N ASP A 58 24.507 -19.878 -16.332 1.00 34.22 N ATOM 890 CA ASP A 58 25.682 -20.687 -16.029 1.00 0.11 C ATOM 891 C ASP A 58 25.608 -22.037 -16.735 1.00 63.43 C ATOM 892 O ASP A 58 24.896 -22.942 -16.297 1.00 41.24 O ATOM 893 CB ASP A 58 25.809 -20.894 -14.519 1.00 24.31 C ATOM 894 CG ASP A 58 24.553 -21.483 -13.907 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.526 -20.774 -13.864 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.597 -22.653 -13.471 1.00 2.41 O ATOM 0 H ASP A 58 23.838 -19.803 -15.566 1.00 34.22 H new ATOM 0 HA ASP A 58 26.562 -20.155 -16.390 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.652 -21.554 -14.315 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.029 -19.939 -14.042 1.00 24.31 H new ATOM 901 N LEU A 59 26.347 -22.166 -17.831 1.00 33.22 N ATOM 902 CA LEU A 59 26.366 -23.407 -18.600 1.00 60.20 C ATOM 903 C LEU A 59 27.721 -24.097 -18.488 1.00 1.03 C ATOM 904 O LEU A 59 28.753 -23.460 -18.279 1.00 70.11 O ATOM 905 CB LEU A 59 26.044 -23.124 -20.069 1.00 32.04 C ATOM 906 CG LEU A 59 24.882 -22.165 -20.329 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.919 -21.658 -21.763 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.552 -22.846 -20.037 1.00 1.32 C ATOM 0 H LEU A 59 26.941 -21.427 -18.208 1.00 33.22 H new ATOM 0 HA LEU A 59 25.606 -24.072 -18.189 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.937 -22.718 -20.544 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.824 -24.071 -20.561 1.00 32.04 H new ATOM 0 HG LEU A 59 24.985 -21.311 -19.660 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.085 -20.977 -21.930 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.857 -21.132 -21.939 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.842 -22.501 -22.449 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.736 -22.148 -20.228 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.441 -23.719 -20.681 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.525 -23.159 -18.993 1.00 1.32 H new ATOM 920 N PRO A 60 27.719 -25.431 -18.631 1.00 53.42 N ATOM 921 CA PRO A 60 28.941 -26.236 -18.552 1.00 72.32 C ATOM 922 C PRO A 60 29.862 -26.011 -19.746 1.00 43.23 C ATOM 923 O PRO A 60 29.399 -25.807 -20.868 1.00 43.11 O ATOM 924 CB PRO A 60 28.418 -27.675 -18.545 1.00 45.22 C ATOM 925 CG PRO A 60 27.097 -27.601 -19.229 1.00 34.34 C ATOM 926 CD PRO A 60 26.525 -26.255 -18.881 1.00 31.23 C ATOM 0 HA PRO A 60 29.541 -25.981 -17.678 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.098 -28.346 -19.069 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.317 -28.054 -17.528 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.210 -27.710 -20.308 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.439 -28.403 -18.894 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.922 -25.852 -19.695 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.881 -26.307 -18.003 1.00 31.23 H new ATOM 934 N GLU A 61 31.168 -26.049 -19.497 1.00 34.34 N ATOM 935 CA GLU A 61 32.153 -25.848 -20.554 1.00 51.40 C ATOM 936 C GLU A 61 32.015 -26.916 -21.636 1.00 71.00 C ATOM 937 O GLU A 61 32.393 -28.069 -21.436 1.00 52.22 O ATOM 938 CB GLU A 61 33.568 -25.875 -19.973 1.00 14.52 C ATOM 939 CG GLU A 61 34.659 -25.899 -21.030 1.00 12.24 C ATOM 940 CD GLU A 61 35.231 -27.288 -21.246 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.529 -27.970 -20.243 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.381 -27.691 -22.418 1.00 62.21 O ATOM 0 H GLU A 61 31.568 -26.217 -18.574 1.00 34.34 H new ATOM 0 HA GLU A 61 31.971 -24.873 -21.005 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.708 -25.000 -19.338 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.673 -26.752 -19.334 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.256 -25.525 -21.971 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.461 -25.222 -20.735 1.00 12.24 H new ATOM 949 N GLY A 62 31.471 -26.520 -22.782 1.00 75.14 N ATOM 950 CA GLY A 62 31.291 -27.454 -23.880 1.00 3.44 C ATOM 951 C GLY A 62 30.607 -26.820 -25.074 1.00 3.40 C ATOM 952 O GLY A 62 30.988 -25.735 -25.511 1.00 30.13 O ATOM 0 H GLY A 62 31.152 -25.570 -22.971 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.263 -27.842 -24.186 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.702 -28.304 -23.537 1.00 3.44 H new ATOM 956 N GLU A 63 29.596 -27.500 -25.605 1.00 44.04 N ATOM 957 CA GLU A 63 28.860 -26.997 -26.759 1.00 31.31 C ATOM 958 C GLU A 63 27.373 -27.320 -26.639 1.00 34.40 C ATOM 959 O GLU A 63 27.028 -28.438 -26.261 1.00 55.14 O ATOM 960 CB GLU A 63 29.421 -27.595 -28.051 1.00 71.45 C ATOM 961 CG GLU A 63 28.573 -27.300 -29.277 1.00 41.01 C ATOM 962 CD GLU A 63 29.152 -27.900 -30.543 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.255 -27.479 -30.949 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.501 -28.789 -31.130 1.00 63.41 O1- ATOM 0 H GLU A 63 29.268 -28.400 -25.255 1.00 44.04 H new ATOM 0 HA GLU A 63 28.978 -25.914 -26.788 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.427 -27.208 -28.214 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.510 -28.675 -27.933 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.567 -27.690 -29.121 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.481 -26.221 -29.400 1.00 41.01 H new ATOM 971 N HIS A 64 26.536 -26.345 -26.960 1.00 11.42 N ATOM 972 CA HIS A 64 25.098 -26.538 -26.884 1.00 43.11 C ATOM 973 C HIS A 64 24.409 -25.698 -27.963 1.00 20.11 C ATOM 974 O HIS A 64 25.005 -24.816 -28.580 1.00 22.41 O ATOM 975 CB HIS A 64 24.582 -26.233 -25.476 1.00 0.52 C ATOM 976 CG HIS A 64 25.672 -25.909 -24.481 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.423 -24.782 -24.318 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.089 -26.802 -23.510 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.254 -24.976 -23.301 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.049 -26.227 -22.798 1.00 33.03 N flip ATOM 0 H HIS A 64 26.826 -25.419 -27.273 1.00 11.42 H new ATOM 0 HA HIS A 64 24.858 -27.583 -27.078 1.00 43.11 H new ATOM 0 HB2 HIS A 64 23.889 -25.393 -25.528 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.016 -27.091 -25.113 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.699 -27.798 -23.358 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.974 -24.261 -22.932 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.546 -26.647 -22.013 1.00 33.03 H new ATOM 988 N GLN A 65 23.132 -25.997 -28.176 1.00 1.42 N ATOM 989 CA GLN A 65 22.338 -25.287 -29.171 1.00 75.43 C ATOM 990 C GLN A 65 21.148 -24.589 -28.522 1.00 40.13 C ATOM 991 O GLN A 65 20.372 -25.211 -27.795 1.00 52.02 O ATOM 992 CB GLN A 65 21.851 -26.255 -30.251 1.00 73.02 C ATOM 993 CG GLN A 65 22.788 -26.358 -31.444 1.00 71.31 C ATOM 994 CD GLN A 65 22.900 -27.773 -31.978 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.726 -28.586 -31.331 1.00 5.51 O flip ATOM 996 NE2 GLN A 65 22.250 -28.131 -32.960 1.00 53.03 N flip ATOM 0 H GLN A 65 22.625 -26.726 -27.673 1.00 1.42 H new ATOM 0 HA GLN A 65 22.972 -24.529 -29.631 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.727 -27.244 -29.811 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.869 -25.935 -30.598 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.433 -25.701 -32.238 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.777 -26.003 -31.156 1.00 71.31 H new ATOM 0 HE21 GLN A 65 21.627 -27.472 -33.427 1.00 53.03 H new ATOM 0 HE22 GLN A 65 22.335 -29.086 -33.307 1.00 53.03 H new ATOM 1005 N TYR A 66 21.008 -23.295 -28.789 1.00 4.15 N ATOM 1006 CA TYR A 66 19.914 -22.512 -28.229 1.00 72.34 C ATOM 1007 C TYR A 66 19.066 -21.892 -29.334 1.00 74.34 C ATOM 1008 O TYR A 66 19.394 -21.993 -30.516 1.00 1.32 O ATOM 1009 CB TYR A 66 20.459 -21.416 -27.313 1.00 10.24 C ATOM 1010 CG TYR A 66 21.243 -20.349 -28.045 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.576 -20.548 -28.383 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.649 -19.144 -28.400 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.295 -19.576 -29.051 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.360 -18.168 -29.070 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.683 -18.388 -29.394 1.00 22.23 C ATOM 1016 OH TYR A 66 23.396 -17.417 -30.061 1.00 12.33 O ATOM 0 H TYR A 66 21.640 -22.766 -29.391 1.00 4.15 H new ATOM 0 HA TYR A 66 19.283 -23.183 -27.646 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.628 -20.947 -26.787 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.099 -21.871 -26.557 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.058 -21.478 -28.119 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.614 -18.968 -28.148 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.331 -19.745 -29.304 1.00 2.40 H new ATOM 0 HE2 TYR A 66 20.883 -17.237 -29.339 1.00 71.43 H new ATOM 0 HH TYR A 66 22.868 -17.084 -30.817 1.00 12.33 H new ATOM 1026 N LYS A 67 17.972 -21.248 -28.941 1.00 53.20 N ATOM 1027 CA LYS A 67 17.075 -20.608 -29.896 1.00 62.12 C ATOM 1028 C LYS A 67 16.411 -19.381 -29.281 1.00 21.43 C ATOM 1029 O LYS A 67 16.082 -19.370 -28.095 1.00 63.05 O ATOM 1030 CB LYS A 67 16.006 -21.598 -30.366 1.00 52.15 C ATOM 1031 CG LYS A 67 15.111 -21.050 -31.464 1.00 4.31 C ATOM 1032 CD LYS A 67 15.802 -21.089 -32.818 1.00 75.43 C ATOM 1033 CE LYS A 67 14.931 -20.477 -33.904 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.843 -21.400 -34.329 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.685 -21.155 -27.967 1.00 53.20 H new ATOM 0 HA LYS A 67 17.667 -20.288 -30.753 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.494 -22.504 -30.725 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.389 -21.885 -29.515 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.190 -21.631 -31.508 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.830 -20.024 -31.227 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.748 -20.550 -32.761 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.039 -22.121 -33.078 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.496 -19.547 -33.539 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.549 -20.224 -34.765 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.139 -20.874 -34.885 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.243 -22.164 -34.910 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.386 -21.808 -33.489 1.00 33.33 H new ATOM 1048 N PHE A 68 16.216 -18.349 -30.096 1.00 0.13 N ATOM 1049 CA PHE A 68 15.590 -17.116 -29.631 1.00 34.41 C ATOM 1050 C PHE A 68 14.078 -17.166 -29.829 1.00 74.51 C ATOM 1051 O PHE A 68 13.584 -17.781 -30.774 1.00 43.04 O ATOM 1052 CB PHE A 68 16.174 -15.911 -30.373 1.00 21.54 C ATOM 1053 CG PHE A 68 17.540 -15.516 -29.891 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.807 -15.406 -28.536 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.557 -15.251 -30.794 1.00 24.44 C ATOM 1056 CE1 PHE A 68 19.063 -15.043 -28.089 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.815 -14.887 -30.354 1.00 64.40 C ATOM 1058 CZ PHE A 68 20.069 -14.782 -29.000 1.00 60.24 C ATOM 0 H PHE A 68 16.482 -18.342 -31.081 1.00 0.13 H new ATOM 0 HA PHE A 68 15.796 -17.012 -28.566 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.225 -16.140 -31.438 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.498 -15.063 -30.261 1.00 21.54 H new ATOM 0 HD1 PHE A 68 17.024 -15.606 -27.820 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.364 -15.330 -31.854 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.258 -14.963 -27.030 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.600 -14.685 -31.068 1.00 64.40 H new ATOM 0 HZ PHE A 68 21.052 -14.497 -28.654 1.00 60.24 H new ATOM 1068 N PHE A 69 13.348 -16.513 -28.930 1.00 64.40 N ATOM 1069 CA PHE A 69 11.891 -16.484 -29.004 1.00 63.41 C ATOM 1070 C PHE A 69 11.370 -15.056 -28.878 1.00 34.32 C ATOM 1071 O PHE A 69 11.190 -14.543 -27.773 1.00 62.44 O ATOM 1072 CB PHE A 69 11.286 -17.359 -27.905 1.00 5.13 C ATOM 1073 CG PHE A 69 9.785 -17.412 -27.939 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.128 -18.258 -28.818 1.00 42.11 C ATOM 1075 CD2 PHE A 69 9.031 -16.616 -27.092 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.748 -18.308 -28.852 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.650 -16.661 -27.121 1.00 13.20 C ATOM 1078 CZ PHE A 69 7.008 -17.510 -28.001 1.00 3.22 C ATOM 0 H PHE A 69 13.741 -15.997 -28.143 1.00 64.40 H new ATOM 0 HA PHE A 69 11.593 -16.877 -29.976 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.680 -18.371 -28.000 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.606 -16.982 -26.934 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.701 -18.885 -29.484 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.529 -15.952 -26.401 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.248 -18.970 -29.543 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.074 -16.034 -26.457 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.929 -17.550 -28.024 1.00 3.22 H new ATOM 1088 N VAL A 70 11.128 -14.417 -30.019 1.00 51.23 N ATOM 1089 CA VAL A 70 10.626 -13.048 -30.038 1.00 53.12 C ATOM 1090 C VAL A 70 9.327 -12.950 -30.827 1.00 13.23 C ATOM 1091 O VAL A 70 9.107 -13.703 -31.776 1.00 23.10 O ATOM 1092 CB VAL A 70 11.658 -12.081 -30.646 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.189 -10.641 -30.504 1.00 23.12 C ATOM 1094 CG2 VAL A 70 13.020 -12.274 -29.994 1.00 41.35 C ATOM 0 H VAL A 70 11.272 -14.826 -30.942 1.00 51.23 H new ATOM 0 HA VAL A 70 10.440 -12.765 -29.002 1.00 53.12 H new ATOM 0 HB VAL A 70 11.755 -12.303 -31.709 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.931 -9.972 -30.939 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.239 -10.515 -31.022 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.061 -10.403 -29.448 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.737 -11.582 -30.437 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.942 -12.081 -28.924 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.358 -13.298 -30.154 1.00 41.35 H new ATOM 1104 N ASP A 71 8.468 -12.018 -30.429 1.00 3.15 N ATOM 1105 CA ASP A 71 7.189 -11.819 -31.101 1.00 54.03 C ATOM 1106 C ASP A 71 6.329 -13.076 -31.014 1.00 20.14 C ATOM 1107 O ASP A 71 5.639 -13.436 -31.967 1.00 62.44 O ATOM 1108 CB ASP A 71 7.411 -11.439 -32.566 1.00 64.34 C ATOM 1109 CG ASP A 71 6.187 -10.799 -33.189 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.173 -10.639 -32.477 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 6.241 -10.459 -34.390 1.00 63.53 O ATOM 0 H ASP A 71 8.634 -11.388 -29.644 1.00 3.15 H new ATOM 0 HA ASP A 71 6.665 -11.006 -30.598 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.253 -10.750 -32.636 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.680 -12.330 -33.133 1.00 64.34 H new ATOM 1116 N GLY A 72 6.376 -13.741 -29.864 1.00 2.30 N ATOM 1117 CA GLY A 72 5.599 -14.952 -29.675 1.00 30.24 C ATOM 1118 C GLY A 72 5.961 -16.036 -30.671 1.00 72.25 C ATOM 1119 O GLY A 72 5.147 -16.911 -30.967 1.00 21.11 O ATOM 0 H GLY A 72 6.938 -13.463 -29.060 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.756 -15.326 -28.663 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.539 -14.718 -29.768 1.00 30.24 H new ATOM 1123 N GLN A 73 7.183 -15.977 -31.190 1.00 45.23 N ATOM 1124 CA GLN A 73 7.648 -16.959 -32.161 1.00 20.11 C ATOM 1125 C GLN A 73 9.156 -17.166 -32.044 1.00 25.04 C ATOM 1126 O GLN A 73 9.888 -16.258 -31.656 1.00 32.35 O ATOM 1127 CB GLN A 73 7.290 -16.516 -33.580 1.00 33.33 C ATOM 1128 CG GLN A 73 8.041 -15.275 -34.037 1.00 51.12 C ATOM 1129 CD GLN A 73 7.856 -14.994 -35.515 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.626 -15.907 -36.309 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.957 -13.725 -35.894 1.00 32.52 N ATOM 0 H GLN A 73 7.869 -15.259 -30.954 1.00 45.23 H new ATOM 0 HA GLN A 73 7.151 -17.906 -31.949 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.500 -17.333 -34.271 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.219 -16.322 -33.632 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.699 -14.415 -33.462 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.103 -15.398 -33.824 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.149 -13.000 -35.203 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.843 -13.476 -36.876 1.00 32.52 H new ATOM 1140 N TRP A 74 9.610 -18.367 -32.383 1.00 23.22 N ATOM 1141 CA TRP A 74 11.030 -18.694 -32.317 1.00 12.20 C ATOM 1142 C TRP A 74 11.771 -18.151 -33.535 1.00 60.11 C ATOM 1143 O TRP A 74 11.528 -18.579 -34.663 1.00 24.22 O ATOM 1144 CB TRP A 74 11.223 -20.208 -32.222 1.00 50.12 C ATOM 1145 CG TRP A 74 10.710 -20.792 -30.940 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.493 -21.379 -30.735 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.399 -20.843 -29.685 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.385 -21.792 -29.429 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.540 -21.475 -28.765 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.657 -20.418 -29.251 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.901 -21.690 -27.437 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.014 -20.633 -27.933 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.139 -21.264 -27.039 1.00 52.42 C ATOM 0 H TRP A 74 9.016 -19.130 -32.706 1.00 23.22 H new ATOM 0 HA TRP A 74 11.443 -18.225 -31.424 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.715 -20.685 -33.060 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.284 -20.439 -32.320 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.729 -21.500 -31.488 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.576 -22.259 -29.020 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.338 -19.930 -29.933 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.228 -22.176 -26.746 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.984 -20.309 -27.586 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.448 -21.417 -26.015 1.00 52.42 H new ATOM 1164 N VAL A 75 12.675 -17.205 -33.299 1.00 42.22 N ATOM 1165 CA VAL A 75 13.452 -16.605 -34.377 1.00 53.15 C ATOM 1166 C VAL A 75 14.943 -16.864 -34.189 1.00 42.43 C ATOM 1167 O VAL A 75 15.370 -17.377 -33.155 1.00 15.11 O ATOM 1168 CB VAL A 75 13.212 -15.086 -34.463 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.750 -14.792 -34.763 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.648 -14.405 -33.174 1.00 33.52 C ATOM 0 H VAL A 75 12.887 -16.838 -32.371 1.00 42.22 H new ATOM 0 HA VAL A 75 13.120 -17.071 -35.305 1.00 53.15 H new ATOM 0 HB VAL A 75 13.813 -14.686 -35.280 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.600 -13.714 -34.820 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.475 -15.247 -35.714 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.126 -15.204 -33.970 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.472 -13.332 -33.252 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.075 -14.807 -32.338 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.710 -14.587 -33.007 1.00 33.52 H new ATOM 1180 N HIS A 76 15.732 -16.503 -35.197 1.00 54.12 N ATOM 1181 CA HIS A 76 17.177 -16.694 -35.142 1.00 10.02 C ATOM 1182 C HIS A 76 17.891 -15.700 -36.053 1.00 43.22 C ATOM 1183 O HIS A 76 17.293 -15.151 -36.978 1.00 33.44 O ATOM 1184 CB HIS A 76 17.538 -18.124 -35.546 1.00 62.13 C ATOM 1185 CG HIS A 76 17.340 -18.403 -37.004 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.048 -18.002 -38.086 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.310 -19.180 -37.488 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.438 -18.540 -39.193 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.393 -19.246 -38.805 1.00 14.42 N flip ATOM 0 H HIS A 76 15.395 -16.077 -36.060 1.00 54.12 H new ATOM 0 HA HIS A 76 17.504 -16.520 -34.117 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.579 -18.314 -35.286 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.933 -18.820 -34.966 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.553 -19.660 -36.885 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.761 -18.407 -40.215 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.757 -19.756 -39.418 1.00 14.42 H new ATOM 1197 N ASP A 77 19.172 -15.473 -35.783 1.00 61.11 N ATOM 1198 CA ASP A 77 19.967 -14.545 -36.579 1.00 41.41 C ATOM 1199 C ASP A 77 20.777 -15.290 -37.635 1.00 24.02 C ATOM 1200 O ASP A 77 21.419 -16.305 -37.360 1.00 23.04 O ATOM 1201 CB ASP A 77 20.903 -13.739 -35.676 1.00 44.44 C ATOM 1202 CG ASP A 77 21.294 -12.409 -36.288 1.00 1.12 C ATOM 1203 OD1 ASP A 77 20.412 -11.536 -36.424 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 22.483 -12.241 -36.633 1.00 34.33 O ATOM 0 H ASP A 77 19.682 -15.918 -35.020 1.00 61.11 H new ATOM 0 HA ASP A 77 19.285 -13.862 -37.085 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.416 -13.565 -34.716 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.802 -14.322 -35.477 1.00 44.44 H new ATOM 1209 N PRO A 78 20.746 -14.780 -38.875 1.00 15.43 N ATOM 1210 CA PRO A 78 21.471 -15.382 -39.998 1.00 4.43 C ATOM 1211 C PRO A 78 22.981 -15.223 -39.864 1.00 61.31 C ATOM 1212 O PRO A 78 23.749 -16.032 -40.386 1.00 23.50 O ATOM 1213 CB PRO A 78 20.956 -14.603 -41.211 1.00 61.03 C ATOM 1214 CG PRO A 78 20.516 -13.290 -40.659 1.00 70.11 C ATOM 1215 CD PRO A 78 20.001 -13.574 -39.276 1.00 31.15 C ATOM 0 HA PRO A 78 21.303 -16.457 -40.063 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.737 -14.476 -41.961 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.131 -15.125 -41.696 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.344 -12.582 -40.629 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.739 -12.846 -41.281 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.190 -12.741 -38.598 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.925 -13.748 -39.276 1.00 31.15 H new ATOM 1223 N SER A 79 23.402 -14.175 -39.163 1.00 34.01 N ATOM 1224 CA SER A 79 24.822 -13.908 -38.963 1.00 21.01 C ATOM 1225 C SER A 79 25.418 -14.874 -37.945 1.00 1.21 C ATOM 1226 O SER A 79 26.613 -15.167 -37.978 1.00 44.53 O ATOM 1227 CB SER A 79 25.032 -12.466 -38.499 1.00 32.35 C ATOM 1228 OG SER A 79 26.361 -12.040 -38.739 1.00 23.51 O ATOM 0 H SER A 79 22.780 -13.497 -38.724 1.00 34.01 H new ATOM 0 HA SER A 79 25.331 -14.052 -39.916 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.337 -11.808 -39.020 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.808 -12.387 -37.435 1.00 32.35 H new ATOM 0 HG SER A 79 26.468 -11.115 -38.435 1.00 23.51 H new ATOM 1234 N GLU A 80 24.576 -15.366 -37.041 1.00 41.40 N ATOM 1235 CA GLU A 80 25.022 -16.299 -36.012 1.00 72.34 C ATOM 1236 C GLU A 80 25.109 -17.719 -36.565 1.00 21.05 C ATOM 1237 O GLU A 80 24.515 -18.049 -37.592 1.00 74.53 O ATOM 1238 CB GLU A 80 24.069 -16.265 -34.815 1.00 2.30 C ATOM 1239 CG GLU A 80 24.438 -15.223 -33.772 1.00 10.13 C ATOM 1240 CD GLU A 80 23.722 -15.438 -32.454 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.662 -16.100 -32.456 1.00 15.10 O ATOM 1242 OE2 GLU A 80 24.220 -14.946 -31.420 1.00 21.22 O1- ATOM 0 H GLU A 80 23.583 -15.135 -37.000 1.00 41.40 H new ATOM 0 HA GLU A 80 26.016 -15.993 -35.686 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.058 -16.068 -35.172 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.055 -17.248 -34.345 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.515 -15.248 -33.604 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.198 -14.231 -34.154 1.00 10.13 H new ATOM 1249 N PRO A 81 25.868 -18.578 -35.870 1.00 13.13 N ATOM 1250 CA PRO A 81 26.053 -19.975 -36.273 1.00 34.44 C ATOM 1251 C PRO A 81 24.783 -20.802 -36.096 1.00 52.34 C ATOM 1252 O PRO A 81 24.633 -21.524 -35.110 1.00 32.21 O ATOM 1253 CB PRO A 81 27.152 -20.473 -35.330 1.00 71.33 C ATOM 1254 CG PRO A 81 27.048 -19.596 -34.130 1.00 70.53 C ATOM 1255 CD PRO A 81 26.606 -18.252 -34.637 1.00 61.31 C ATOM 0 HA PRO A 81 26.306 -20.065 -37.329 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.004 -21.521 -35.068 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.136 -20.396 -35.793 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.331 -19.998 -33.414 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.006 -19.523 -33.616 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.973 -17.738 -33.914 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.455 -17.599 -34.838 1.00 61.31 H new ATOM 1263 N VAL A 82 23.873 -20.692 -37.058 1.00 53.33 N ATOM 1264 CA VAL A 82 22.616 -21.431 -37.009 1.00 75.02 C ATOM 1265 C VAL A 82 22.718 -22.737 -37.789 1.00 72.11 C ATOM 1266 O VAL A 82 23.554 -22.878 -38.681 1.00 30.20 O ATOM 1267 CB VAL A 82 21.453 -20.597 -37.576 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.288 -19.306 -36.787 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.676 -20.304 -39.052 1.00 55.33 C ATOM 0 H VAL A 82 23.982 -20.099 -37.881 1.00 53.33 H new ATOM 0 HA VAL A 82 22.417 -21.651 -35.960 1.00 75.02 H new ATOM 0 HB VAL A 82 20.534 -21.175 -37.479 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.461 -18.729 -37.202 1.00 54.42 H new ATOM 0 HG12 VAL A 82 21.078 -19.542 -35.744 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.206 -18.721 -36.850 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.844 -19.714 -39.436 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.604 -19.746 -39.176 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.740 -21.242 -39.604 1.00 55.33 H new ATOM 1279 N VAL A 83 21.858 -23.692 -37.445 1.00 45.51 N ATOM 1280 CA VAL A 83 21.848 -24.988 -38.114 1.00 23.24 C ATOM 1281 C VAL A 83 20.460 -25.616 -38.072 1.00 60.32 C ATOM 1282 O VAL A 83 19.733 -25.483 -37.087 1.00 51.55 O ATOM 1283 CB VAL A 83 22.859 -25.957 -37.473 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.560 -26.139 -35.992 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.844 -27.296 -38.196 1.00 63.11 C ATOM 0 H VAL A 83 21.160 -23.592 -36.708 1.00 45.51 H new ATOM 0 HA VAL A 83 22.132 -24.812 -39.151 1.00 23.24 H new ATOM 0 HB VAL A 83 23.857 -25.529 -37.568 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.285 -26.827 -35.556 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.625 -25.175 -35.487 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.556 -26.545 -35.871 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.564 -27.969 -37.730 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.847 -27.732 -38.134 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.110 -27.147 -39.242 1.00 63.11 H new ATOM 1377 N ILE A 90 15.328 -24.647 -37.471 1.00 10.10 N ATOM 1378 CA ILE A 90 16.582 -23.912 -37.373 1.00 62.35 C ATOM 1379 C ILE A 90 16.860 -23.487 -35.935 1.00 75.12 C ATOM 1380 O ILE A 90 15.956 -23.062 -35.218 1.00 35.51 O ATOM 1381 CB ILE A 90 16.574 -22.663 -38.274 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.141 -23.033 -39.694 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.948 -22.010 -38.288 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.110 -23.955 -40.400 1.00 52.12 C ATOM 0 HA ILE A 90 17.370 -24.586 -37.708 1.00 62.35 H new ATOM 0 HB ILE A 90 15.857 -21.948 -37.870 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.162 -23.510 -39.654 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.027 -22.121 -40.280 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.926 -21.129 -38.929 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.221 -21.715 -37.275 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.683 -22.718 -38.670 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.739 -24.175 -41.401 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.085 -23.472 -40.472 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.205 -24.883 -39.836 1.00 52.12 H new ATOM 1396 N ASN A 91 18.118 -23.602 -35.523 1.00 74.31 N ATOM 1397 CA ASN A 91 18.516 -23.228 -34.171 1.00 40.23 C ATOM 1398 C ASN A 91 19.932 -22.661 -34.157 1.00 12.32 C ATOM 1399 O ASN A 91 20.726 -22.922 -35.060 1.00 61.32 O ATOM 1400 CB ASN A 91 18.431 -24.438 -33.238 1.00 75.11 C ATOM 1401 CG ASN A 91 18.902 -25.717 -33.907 1.00 53.20 C ATOM 1402 OD1 ASN A 91 20.066 -26.206 -33.495 1.00 42.42 O flip ATOM 1403 ND2 ASN A 91 18.226 -26.257 -34.782 1.00 13.21 N flip ATOM 0 H ASN A 91 18.879 -23.951 -36.106 1.00 74.31 H new ATOM 0 HA ASN A 91 17.831 -22.457 -33.819 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.035 -24.252 -32.350 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.401 -24.564 -32.903 1.00 75.11 H new ATOM 0 HD21 ASN A 91 17.337 -25.845 -35.067 1.00 13.21 H new ATOM 0 HD22 ASN A 91 18.554 -27.116 -35.222 1.00 13.21 H new ATOM 1410 N ASN A 92 20.242 -21.881 -33.126 1.00 4.32 N ATOM 1411 CA ASN A 92 21.562 -21.275 -32.995 1.00 54.51 C ATOM 1412 C ASN A 92 22.570 -22.283 -32.451 1.00 33.33 C ATOM 1413 O ASN A 92 22.217 -23.414 -32.118 1.00 14.13 O ATOM 1414 CB ASN A 92 21.497 -20.054 -32.076 1.00 61.45 C ATOM 1415 CG ASN A 92 20.742 -18.898 -32.702 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.379 -18.219 -33.649 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.599 -18.620 -32.339 1.00 23.44 N flip ATOM 0 H ASN A 92 19.597 -21.654 -32.369 1.00 4.32 H new ATOM 0 HA ASN A 92 21.890 -20.958 -33.985 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.016 -20.333 -31.139 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.509 -19.733 -31.831 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.148 -19.170 -31.607 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.103 -17.840 -32.770 1.00 23.44 H new ATOM 1424 N LEU A 93 23.828 -21.864 -32.363 1.00 32.05 N ATOM 1425 CA LEU A 93 24.889 -22.729 -31.858 1.00 34.14 C ATOM 1426 C LEU A 93 25.832 -21.955 -30.943 1.00 2.14 C ATOM 1427 O LEU A 93 26.347 -20.899 -31.314 1.00 5.21 O ATOM 1428 CB LEU A 93 25.674 -23.337 -33.022 1.00 74.14 C ATOM 1429 CG LEU A 93 26.844 -24.244 -32.640 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.395 -25.303 -31.644 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.442 -24.894 -33.879 1.00 72.43 C ATOM 0 H LEU A 93 24.138 -20.931 -32.635 1.00 32.05 H new ATOM 0 HA LEU A 93 24.428 -23.530 -31.280 1.00 34.14 H new ATOM 0 HB2 LEU A 93 24.983 -23.910 -33.640 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.057 -22.525 -33.640 1.00 74.14 H new ATOM 0 HG LEU A 93 27.613 -23.633 -32.168 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.241 -25.939 -31.384 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.015 -24.819 -30.745 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.607 -25.911 -32.089 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.273 -25.536 -33.588 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.680 -25.492 -34.380 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.801 -24.121 -34.558 1.00 72.43 H new ATOM 1443 N ILE A 94 26.057 -22.489 -29.746 1.00 14.30 N ATOM 1444 CA ILE A 94 26.941 -21.849 -28.779 1.00 21.03 C ATOM 1445 C ILE A 94 28.027 -22.811 -28.308 1.00 2.32 C ATOM 1446 O ILE A 94 27.769 -23.995 -28.085 1.00 25.24 O ATOM 1447 CB ILE A 94 26.159 -21.336 -27.556 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.117 -20.723 -26.532 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.357 -22.466 -26.928 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.591 -19.457 -25.894 1.00 45.44 C ATOM 0 H ILE A 94 25.640 -23.362 -29.423 1.00 14.30 H new ATOM 0 HA ILE A 94 27.404 -21.002 -29.285 1.00 21.03 H new ATOM 0 HB ILE A 94 25.465 -20.563 -27.885 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.319 -21.456 -25.751 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.067 -20.506 -27.020 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.810 -22.088 -26.065 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.652 -22.862 -27.659 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.034 -23.259 -26.610 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.322 -19.079 -25.180 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.415 -18.707 -26.665 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.656 -19.672 -25.377 1.00 45.44 H new ATOM 1462 N HIS A 95 29.242 -22.295 -28.159 1.00 34.15 N ATOM 1463 CA HIS A 95 30.369 -23.107 -27.711 1.00 64.32 C ATOM 1464 C HIS A 95 31.061 -22.464 -26.514 1.00 64.02 C ATOM 1465 O HIS A 95 31.808 -21.496 -26.662 1.00 35.41 O ATOM 1466 CB HIS A 95 31.369 -23.300 -28.851 1.00 24.45 C ATOM 1467 CG HIS A 95 31.166 -22.354 -29.994 1.00 31.14 C ATOM 1468 ND1 HIS A 95 31.645 -21.061 -29.993 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.534 -22.519 -31.179 1.00 34.13 C ATOM 1470 CE1 HIS A 95 31.313 -20.471 -31.128 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.639 -21.335 -31.865 1.00 74.23 N ATOM 0 H HIS A 95 29.472 -21.318 -28.342 1.00 34.15 H new ATOM 0 HA HIS A 95 29.985 -24.080 -27.405 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.379 -23.175 -28.462 1.00 24.45 H new ATOM 0 HB3 HIS A 95 31.294 -24.323 -29.219 1.00 24.45 H new ATOM 0 HD2 HIS A 95 30.039 -23.416 -31.521 1.00 34.13 H new ATOM 0 HE1 HIS A 95 31.552 -19.455 -31.406 1.00 5.54 H new ATOM 0 HE2 HIS A 95 30.258 -21.152 -32.793 1.00 74.23 H new ATOM 1479 N VAL A 96 30.807 -23.006 -25.328 1.00 71.10 N ATOM 1480 CA VAL A 96 31.407 -22.486 -24.104 1.00 11.24 C ATOM 1481 C VAL A 96 32.748 -23.155 -23.822 1.00 23.32 C ATOM 1482 O VAL A 96 32.903 -24.362 -24.007 1.00 52.24 O ATOM 1483 CB VAL A 96 30.478 -22.690 -22.893 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.163 -22.238 -21.613 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.167 -21.947 -23.097 1.00 41.02 C ATOM 0 H VAL A 96 30.189 -23.806 -25.188 1.00 71.10 H new ATOM 0 HA VAL A 96 31.563 -21.418 -24.256 1.00 11.24 H new ATOM 0 HB VAL A 96 30.256 -23.753 -22.802 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.492 -22.390 -20.768 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.073 -22.819 -21.462 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.416 -21.181 -21.690 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.522 -22.102 -22.232 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.367 -20.882 -23.214 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.671 -22.324 -23.991 1.00 41.02 H new