USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 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= 1.19 F(o=-0.84,f=1.4) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= 0.197 F(o=-0.96,f=1.4) USER MOD Set 2.1: A 34 SER OG : rot 96:sc= 0.706 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.52! C(o=-2.8!,f=-9.1!) USER MOD Single : A 20 THR OG1 : rot 151:sc= -1.69 USER MOD Single : A 25 SER OG : rot 180:sc= -0.176 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 39 ASN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 41 SER OG : rot -43:sc= 0.361 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.908) 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= -0.0376 X(o=-0.038,f=-0.013) USER MOD Single : A 51 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.93) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.288 F(o=-0.86,f=-0.29) USER MOD Single : A 66 TYR OH : rot -154:sc= -0.0185 USER MOD Single : A 67 LYS NZ :NH3+ 133:sc= -0.0591 (180deg=-0.721) USER MOD Single : A 73 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.1!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.99 F(o=-3.2,f=-2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.329 F(o=-1,f=-0.33) USER MOD Single : A 95 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 30.113 -22.479 -13.548 1.00 12.42 N ATOM 234 CA ALA A 17 30.117 -22.395 -15.003 1.00 42.35 C ATOM 235 C ALA A 17 30.091 -20.943 -15.469 1.00 62.44 C ATOM 236 O ALA A 17 29.481 -20.086 -14.828 1.00 42.53 O ATOM 237 CB ALA A 17 28.934 -23.157 -15.579 1.00 33.33 C ATOM 0 HA ALA A 17 31.039 -22.849 -15.366 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.950 -23.086 -16.667 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.997 -24.204 -15.283 1.00 33.33 H new ATOM 0 HB3 ALA A 17 28.006 -22.728 -15.201 1.00 33.33 H new ATOM 243 N ARG A 18 30.756 -20.673 -16.587 1.00 70.43 N ATOM 244 CA ARG A 18 30.811 -19.324 -17.137 1.00 32.44 C ATOM 245 C ARG A 18 29.474 -18.937 -17.763 1.00 34.41 C ATOM 246 O ARG A 18 28.700 -19.786 -18.206 1.00 12.32 O ATOM 247 CB ARG A 18 31.924 -19.220 -18.181 1.00 12.31 C ATOM 248 CG ARG A 18 31.664 -20.043 -19.432 1.00 64.34 C ATOM 249 CD ARG A 18 31.895 -19.228 -20.694 1.00 1.20 C ATOM 250 NE ARG A 18 33.292 -19.257 -21.118 1.00 31.54 N ATOM 251 CZ ARG A 18 33.830 -18.363 -21.939 1.00 74.52 C ATOM 252 NH1 ARG A 18 33.092 -17.373 -22.421 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.110 -18.458 -22.278 1.00 25.53 N ATOM 0 H ARG A 18 31.265 -21.371 -17.130 1.00 70.43 H new ATOM 0 HA ARG A 18 31.024 -18.635 -16.320 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.049 -18.175 -18.463 1.00 12.31 H new ATOM 0 HB3 ARG A 18 32.863 -19.544 -17.732 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.317 -20.916 -19.437 1.00 64.34 H new ATOM 0 HG3 ARG A 18 30.639 -20.412 -19.419 1.00 64.34 H new ATOM 0 HD2 ARG A 18 31.265 -19.615 -21.495 1.00 1.20 H new ATOM 0 HD3 ARG A 18 31.591 -18.196 -20.519 1.00 1.20 H new ATOM 0 HE ARG A 18 33.888 -20.006 -20.764 1.00 31.54 H new ATOM 0 HH11 ARG A 18 32.109 -17.297 -22.161 1.00 5.14 H new ATOM 0 HH12 ARG A 18 33.508 -16.687 -23.052 1.00 5.14 H new ATOM 0 HH21 ARG A 18 35.681 -19.218 -21.908 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.523 -17.771 -22.909 1.00 25.53 H new ATOM 267 N PRO A 19 29.195 -17.626 -17.799 1.00 3.15 N ATOM 268 CA PRO A 19 27.952 -17.098 -18.368 1.00 23.40 C ATOM 269 C PRO A 19 27.896 -17.251 -19.884 1.00 70.32 C ATOM 270 O PRO A 19 28.928 -17.377 -20.544 1.00 5.33 O ATOM 271 CB PRO A 19 27.986 -15.617 -17.982 1.00 44.10 C ATOM 272 CG PRO A 19 29.432 -15.303 -17.814 1.00 71.22 C ATOM 273 CD PRO A 19 30.071 -16.559 -17.289 1.00 71.44 C ATOM 0 HA PRO A 19 27.076 -17.630 -17.996 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.533 -14.996 -18.755 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.432 -15.435 -17.061 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.879 -15.005 -18.762 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.573 -14.474 -17.120 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.093 -16.671 -17.650 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.116 -16.562 -16.200 1.00 71.44 H new ATOM 281 N THR A 20 26.685 -17.239 -20.432 1.00 62.41 N ATOM 282 CA THR A 20 26.495 -17.378 -21.870 1.00 11.43 C ATOM 283 C THR A 20 26.588 -16.027 -22.570 1.00 21.11 C ATOM 284 O THR A 20 26.364 -14.982 -21.958 1.00 33.42 O ATOM 285 CB THR A 20 25.134 -18.020 -22.198 1.00 72.41 C ATOM 286 OG1 THR A 20 25.091 -18.400 -23.578 1.00 51.10 O ATOM 287 CG2 THR A 20 23.995 -17.059 -21.896 1.00 52.22 C ATOM 0 H THR A 20 25.821 -17.134 -19.901 1.00 62.41 H new ATOM 0 HA THR A 20 27.292 -18.028 -22.232 1.00 11.43 H new ATOM 0 HB THR A 20 25.016 -18.906 -21.574 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.496 -19.171 -23.687 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.044 -17.535 -22.136 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.012 -16.795 -20.839 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.111 -16.157 -22.497 1.00 52.22 H new ATOM 295 N VAL A 21 26.921 -16.054 -23.856 1.00 64.42 N ATOM 296 CA VAL A 21 27.042 -14.830 -24.641 1.00 34.44 C ATOM 297 C VAL A 21 25.876 -14.682 -25.612 1.00 4.33 C ATOM 298 O VAL A 21 25.862 -15.295 -26.680 1.00 53.11 O ATOM 299 CB VAL A 21 28.362 -14.801 -25.434 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.527 -13.466 -26.146 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.543 -15.071 -24.512 1.00 42.33 C ATOM 0 H VAL A 21 27.112 -16.910 -24.377 1.00 64.42 H new ATOM 0 HA VAL A 21 27.031 -13.999 -23.936 1.00 34.44 H new ATOM 0 HB VAL A 21 28.331 -15.588 -26.188 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.465 -13.463 -26.701 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.696 -13.317 -26.836 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.538 -12.661 -25.411 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.468 -15.047 -25.089 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.580 -14.308 -23.735 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.428 -16.052 -24.051 1.00 42.33 H new ATOM 311 N ILE A 22 24.899 -13.865 -25.234 1.00 22.23 N ATOM 312 CA ILE A 22 23.729 -13.635 -26.072 1.00 2.23 C ATOM 313 C ILE A 22 23.459 -12.143 -26.243 1.00 11.25 C ATOM 314 O ILE A 22 23.569 -11.370 -25.292 1.00 71.43 O ATOM 315 CB ILE A 22 22.475 -14.308 -25.485 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.405 -15.774 -25.920 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.222 -13.562 -25.918 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.945 -16.737 -24.885 1.00 75.24 C ATOM 0 H ILE A 22 24.894 -13.351 -24.353 1.00 22.23 H new ATOM 0 HA ILE A 22 23.946 -14.076 -27.045 1.00 2.23 H new ATOM 0 HB ILE A 22 22.538 -14.274 -24.397 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.368 -16.031 -26.138 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.966 -15.897 -26.847 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.344 -14.050 -25.495 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.271 -12.532 -25.564 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.152 -13.569 -27.006 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.864 -17.757 -25.260 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.991 -16.506 -24.684 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.369 -16.642 -23.964 1.00 75.24 H new ATOM 330 N ARG A 23 23.104 -11.747 -27.461 1.00 22.13 N ATOM 331 CA ARG A 23 22.817 -10.349 -27.755 1.00 2.21 C ATOM 332 C ARG A 23 21.815 -10.229 -28.900 1.00 24.52 C ATOM 333 O ARG A 23 22.152 -10.462 -30.060 1.00 2.42 O ATOM 334 CB ARG A 23 24.106 -9.606 -28.112 1.00 42.34 C ATOM 335 CG ARG A 23 24.918 -10.284 -29.205 1.00 24.01 C ATOM 336 CD ARG A 23 26.334 -9.736 -29.268 1.00 73.43 C ATOM 337 NE ARG A 23 26.941 -9.939 -30.580 1.00 13.23 N ATOM 338 CZ ARG A 23 28.246 -9.838 -30.811 1.00 71.22 C ATOM 339 NH1 ARG A 23 29.076 -9.539 -29.821 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 28.723 -10.036 -32.033 1.00 52.22 N ATOM 0 H ARG A 23 23.008 -12.375 -28.259 1.00 22.13 H new ATOM 0 HA ARG A 23 22.380 -9.898 -26.864 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.856 -8.594 -28.432 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.722 -9.514 -27.217 1.00 42.34 H new ATOM 0 HG2 ARG A 23 24.950 -11.358 -29.023 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.427 -10.139 -30.167 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.321 -8.671 -29.035 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.945 -10.221 -28.507 1.00 73.43 H new ATOM 0 HE ARG A 23 26.330 -10.171 -31.363 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.713 -9.386 -28.880 1.00 41.22 H new ATOM 0 HH12 ARG A 23 30.077 -9.462 -30.000 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.088 -10.266 -32.797 1.00 52.22 H new ATOM 0 HH22 ARG A 23 29.725 -9.958 -32.208 1.00 52.22 H new ATOM 354 N TRP A 24 20.583 -9.865 -28.564 1.00 71.11 N ATOM 355 CA TRP A 24 19.531 -9.714 -29.563 1.00 14.11 C ATOM 356 C TRP A 24 18.976 -8.295 -29.560 1.00 74.11 C ATOM 357 O TRP A 24 18.580 -7.776 -28.518 1.00 40.02 O ATOM 358 CB TRP A 24 18.405 -10.716 -29.304 1.00 23.53 C ATOM 359 CG TRP A 24 17.209 -10.506 -30.181 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.184 -9.628 -29.973 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.912 -11.187 -31.405 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.268 -9.723 -30.993 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.692 -10.672 -31.885 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.560 -12.182 -32.143 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.109 -11.120 -33.067 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.979 -12.626 -33.316 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.765 -12.094 -33.770 1.00 42.54 C ATOM 0 H TRP A 24 20.288 -9.669 -27.608 1.00 71.11 H new ATOM 0 HA TRP A 24 19.965 -9.912 -30.543 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.785 -11.726 -29.456 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.098 -10.645 -28.260 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.105 -8.957 -29.130 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.411 -9.175 -31.073 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.498 -12.596 -31.803 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.172 -10.713 -33.417 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.469 -13.396 -33.893 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.339 -12.460 -34.692 1.00 42.54 H new ATOM 378 N SER A 25 18.950 -7.671 -30.735 1.00 14.13 N ATOM 379 CA SER A 25 18.446 -6.309 -30.866 1.00 42.24 C ATOM 380 C SER A 25 17.450 -6.207 -32.016 1.00 64.44 C ATOM 381 O SER A 25 17.833 -6.212 -33.185 1.00 51.21 O ATOM 382 CB SER A 25 19.604 -5.334 -31.090 1.00 73.05 C ATOM 383 OG SER A 25 20.809 -5.836 -30.539 1.00 65.11 O ATOM 0 H SER A 25 19.272 -8.087 -31.609 1.00 14.13 H new ATOM 0 HA SER A 25 17.933 -6.046 -29.941 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.734 -5.159 -32.158 1.00 73.05 H new ATOM 0 HB3 SER A 25 19.366 -4.372 -30.636 1.00 73.05 H new ATOM 0 HG SER A 25 21.533 -5.195 -30.697 1.00 65.11 H new ATOM 389 N GLU A 26 16.169 -6.114 -31.674 1.00 53.54 N ATOM 390 CA GLU A 26 15.116 -6.011 -32.678 1.00 53.15 C ATOM 391 C GLU A 26 14.091 -4.951 -32.286 1.00 73.25 C ATOM 392 O GLU A 26 13.971 -3.915 -32.941 1.00 53.42 O ATOM 393 CB GLU A 26 14.422 -7.363 -32.862 1.00 25.03 C ATOM 394 CG GLU A 26 13.592 -7.453 -34.131 1.00 61.21 C ATOM 395 CD GLU A 26 14.445 -7.580 -35.378 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.371 -8.418 -35.382 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.186 -6.841 -36.352 1.00 31.44 O ATOM 0 H GLU A 26 15.835 -6.108 -30.710 1.00 53.54 H new ATOM 0 HA GLU A 26 15.577 -5.715 -33.621 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.176 -8.150 -32.874 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.778 -7.551 -32.003 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.924 -8.311 -34.063 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.964 -6.566 -34.214 1.00 61.21 H new ATOM 404 N GLY A 27 13.353 -5.217 -31.212 1.00 44.43 N ATOM 405 CA GLY A 27 12.349 -4.277 -30.752 1.00 31.34 C ATOM 406 C GLY A 27 10.987 -4.921 -30.583 1.00 63.32 C ATOM 407 O GLY A 27 9.962 -4.316 -30.895 1.00 61.55 O ATOM 0 H GLY A 27 13.433 -6.066 -30.653 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.665 -3.848 -29.801 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.273 -3.454 -31.463 1.00 31.34 H new ATOM 411 N GLY A 28 10.975 -6.156 -30.089 1.00 21.34 N ATOM 412 CA GLY A 28 9.723 -6.862 -29.890 1.00 62.33 C ATOM 413 C GLY A 28 9.072 -6.527 -28.563 1.00 50.05 C ATOM 414 O GLY A 28 9.246 -5.427 -28.038 1.00 23.31 O ATOM 0 H GLY A 28 11.809 -6.679 -29.823 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.037 -6.614 -30.700 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.903 -7.936 -29.942 1.00 62.33 H new ATOM 418 N LYS A 29 8.318 -7.476 -28.018 1.00 15.42 N ATOM 419 CA LYS A 29 7.637 -7.276 -26.744 1.00 45.44 C ATOM 420 C LYS A 29 8.316 -8.074 -25.635 1.00 12.10 C ATOM 421 O LYS A 29 8.539 -7.561 -24.538 1.00 63.53 O ATOM 422 CB LYS A 29 6.168 -7.689 -26.857 1.00 41.32 C ATOM 423 CG LYS A 29 5.703 -8.597 -25.732 1.00 72.44 C ATOM 424 CD LYS A 29 4.187 -8.689 -25.681 1.00 52.45 C ATOM 425 CE LYS A 29 3.579 -7.488 -24.972 1.00 71.52 C ATOM 426 NZ LYS A 29 2.109 -7.636 -24.791 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.163 -8.392 -28.439 1.00 15.42 H new ATOM 0 HA LYS A 29 7.692 -6.217 -26.493 1.00 45.44 H new ATOM 0 HB2 LYS A 29 5.547 -6.793 -26.869 1.00 41.32 H new ATOM 0 HB3 LYS A 29 6.014 -8.197 -27.809 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.125 -9.593 -25.869 1.00 72.44 H new ATOM 0 HG3 LYS A 29 6.078 -8.220 -24.780 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.791 -8.753 -26.695 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.894 -9.604 -25.166 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.054 -7.362 -23.999 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.785 -6.585 -25.546 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 1.733 -6.797 -24.304 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.653 -7.731 -25.721 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.913 -8.484 -24.221 1.00 53.32 H new ATOM 440 N GLU A 30 8.642 -9.329 -25.928 1.00 44.21 N ATOM 441 CA GLU A 30 9.295 -10.195 -24.953 1.00 11.54 C ATOM 442 C GLU A 30 10.237 -11.177 -25.644 1.00 2.32 C ATOM 443 O GLU A 30 9.841 -11.891 -26.565 1.00 51.51 O ATOM 444 CB GLU A 30 8.252 -10.960 -24.138 1.00 14.34 C ATOM 445 CG GLU A 30 7.405 -11.909 -24.969 1.00 21.41 C ATOM 446 CD GLU A 30 6.118 -12.306 -24.272 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.658 -11.544 -23.395 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.571 -13.379 -24.605 1.00 2.20 O ATOM 0 H GLU A 30 8.465 -9.768 -26.831 1.00 44.21 H new ATOM 0 HA GLU A 30 9.880 -9.567 -24.281 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.758 -11.528 -23.357 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.598 -10.245 -23.639 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.167 -11.437 -25.922 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.984 -12.805 -25.193 1.00 21.41 H new ATOM 455 N VAL A 31 11.487 -11.206 -25.192 1.00 1.21 N ATOM 456 CA VAL A 31 12.486 -12.099 -25.766 1.00 20.01 C ATOM 457 C VAL A 31 12.907 -13.168 -24.763 1.00 24.24 C ATOM 458 O VAL A 31 13.176 -12.872 -23.599 1.00 60.13 O ATOM 459 CB VAL A 31 13.735 -11.324 -26.226 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.714 -12.254 -26.925 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.340 -10.171 -27.137 1.00 53.33 C ATOM 0 H VAL A 31 11.831 -10.621 -24.430 1.00 1.21 H new ATOM 0 HA VAL A 31 12.025 -12.576 -26.631 1.00 20.01 H new ATOM 0 HB VAL A 31 14.229 -10.911 -25.347 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.590 -11.688 -27.243 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.021 -13.042 -26.238 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.234 -12.699 -27.797 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.234 -9.634 -27.453 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.822 -10.561 -28.013 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.680 -9.491 -26.598 1.00 53.33 H new ATOM 471 N PHE A 32 12.962 -14.414 -25.224 1.00 63.42 N ATOM 472 CA PHE A 32 13.349 -15.529 -24.368 1.00 64.12 C ATOM 473 C PHE A 32 14.320 -16.458 -25.090 1.00 21.54 C ATOM 474 O PHE A 32 14.288 -16.575 -26.316 1.00 42.43 O ATOM 475 CB PHE A 32 12.112 -16.312 -23.924 1.00 75.51 C ATOM 476 CG PHE A 32 11.248 -15.566 -22.948 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.493 -15.642 -21.586 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.191 -14.788 -23.392 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.700 -14.956 -20.685 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.395 -14.099 -22.496 1.00 3.23 C ATOM 481 CZ PHE A 32 9.649 -14.185 -21.141 1.00 24.12 C ATOM 0 H PHE A 32 12.743 -14.676 -26.185 1.00 63.42 H new ATOM 0 HA PHE A 32 13.849 -15.122 -23.489 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.518 -16.566 -24.802 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.430 -17.251 -23.471 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.313 -16.244 -21.224 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.987 -14.719 -24.450 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.902 -15.023 -19.626 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.575 -13.494 -22.855 1.00 3.23 H new ATOM 0 HZ PHE A 32 9.026 -13.650 -20.439 1.00 24.12 H new ATOM 491 N ILE A 33 15.182 -17.115 -24.323 1.00 13.35 N ATOM 492 CA ILE A 33 16.163 -18.033 -24.889 1.00 22.33 C ATOM 493 C ILE A 33 16.011 -19.432 -24.299 1.00 62.43 C ATOM 494 O ILE A 33 15.736 -19.589 -23.110 1.00 63.03 O ATOM 495 CB ILE A 33 17.602 -17.541 -24.647 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.603 -18.454 -25.358 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.897 -17.481 -23.156 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.047 -18.115 -25.059 1.00 22.31 C ATOM 0 H ILE A 33 15.222 -17.029 -23.307 1.00 13.35 H new ATOM 0 HA ILE A 33 15.976 -18.070 -25.962 1.00 22.33 H new ATOM 0 HB ILE A 33 17.701 -16.536 -25.058 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.412 -19.487 -25.065 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.439 -18.392 -26.434 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.918 -17.132 -23.001 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.201 -16.794 -22.675 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.784 -18.475 -22.722 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.701 -18.802 -25.596 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.254 -17.093 -25.377 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.228 -18.205 -23.988 1.00 22.31 H new ATOM 510 N SER A 34 16.194 -20.445 -25.140 1.00 25.03 N ATOM 511 CA SER A 34 16.074 -21.832 -24.702 1.00 60.30 C ATOM 512 C SER A 34 17.010 -22.735 -25.501 1.00 10.42 C ATOM 513 O SER A 34 17.152 -22.582 -26.714 1.00 43.22 O ATOM 514 CB SER A 34 14.630 -22.314 -24.851 1.00 31.12 C ATOM 515 OG SER A 34 14.429 -23.538 -24.170 1.00 65.53 O ATOM 0 H SER A 34 16.426 -20.332 -26.127 1.00 25.03 H new ATOM 0 HA SER A 34 16.358 -21.882 -23.651 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.949 -21.559 -24.458 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.392 -22.439 -25.907 1.00 31.12 H new ATOM 0 HG SER A 34 14.067 -23.360 -23.277 1.00 65.53 H new ATOM 521 N GLY A 35 17.644 -23.677 -24.811 1.00 50.42 N ATOM 522 CA GLY A 35 18.557 -24.592 -25.471 1.00 51.10 C ATOM 523 C GLY A 35 18.584 -25.958 -24.816 1.00 32.54 C ATOM 524 O GLY A 35 17.708 -26.288 -24.016 1.00 42.30 O ATOM 0 H GLY A 35 17.542 -23.823 -23.807 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.266 -24.699 -26.516 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.561 -24.168 -25.461 1.00 51.10 H new ATOM 528 N SER A 36 19.590 -26.758 -25.156 1.00 50.42 N ATOM 529 CA SER A 36 19.723 -28.099 -24.600 1.00 60.21 C ATOM 530 C SER A 36 20.169 -28.040 -23.141 1.00 34.32 C ATOM 531 O SER A 36 20.041 -29.016 -22.402 1.00 45.21 O ATOM 532 CB SER A 36 20.724 -28.916 -25.418 1.00 64.21 C ATOM 533 OG SER A 36 21.398 -29.860 -24.605 1.00 43.11 O ATOM 0 H SER A 36 20.325 -26.500 -25.814 1.00 50.42 H new ATOM 0 HA SER A 36 18.747 -28.583 -24.645 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.204 -29.432 -26.225 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.449 -28.248 -25.883 1.00 64.21 H new ATOM 0 HG SER A 36 22.031 -30.370 -25.152 1.00 43.11 H new ATOM 539 N PHE A 37 20.694 -26.888 -22.736 1.00 5.12 N ATOM 540 CA PHE A 37 21.161 -26.702 -21.367 1.00 1.32 C ATOM 541 C PHE A 37 20.009 -26.841 -20.376 1.00 52.10 C ATOM 542 O PHE A 37 20.225 -27.028 -19.179 1.00 24.42 O ATOM 543 CB PHE A 37 21.817 -25.327 -21.214 1.00 52.43 C ATOM 544 CG PHE A 37 20.947 -24.193 -21.673 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.976 -23.664 -20.838 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.100 -23.655 -22.941 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.175 -22.619 -21.257 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.303 -22.609 -23.365 1.00 24.25 C ATOM 549 CZ PHE A 37 19.338 -22.092 -22.523 1.00 63.21 C ATOM 0 H PHE A 37 20.807 -26.070 -23.335 1.00 5.12 H new ATOM 0 HA PHE A 37 21.898 -27.476 -21.151 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.079 -25.173 -20.167 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.748 -25.312 -21.781 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.844 -24.074 -19.847 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.850 -24.058 -23.605 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.423 -22.215 -20.596 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.435 -22.196 -24.354 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.712 -21.277 -22.854 1.00 63.21 H new ATOM 559 N ASN A 38 18.784 -26.747 -20.884 1.00 73.11 N ATOM 560 CA ASN A 38 17.598 -26.861 -20.045 1.00 10.42 C ATOM 561 C ASN A 38 16.616 -27.874 -20.626 1.00 21.43 C ATOM 562 O ASN A 38 15.463 -27.951 -20.200 1.00 31.21 O ATOM 563 CB ASN A 38 16.917 -25.499 -19.899 1.00 72.03 C ATOM 564 CG ASN A 38 15.998 -25.185 -21.064 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.806 -25.492 -21.029 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.549 -24.570 -22.104 1.00 44.21 N ATOM 0 H ASN A 38 18.588 -26.592 -21.873 1.00 73.11 H new ATOM 0 HA ASN A 38 17.912 -27.209 -19.061 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.344 -25.480 -18.972 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.677 -24.722 -19.820 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.980 -24.333 -22.917 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.541 -24.334 -22.090 1.00 44.21 H new ATOM 573 N ASN A 39 17.080 -28.649 -21.600 1.00 32.24 N ATOM 574 CA ASN A 39 16.243 -29.657 -22.240 1.00 20.50 C ATOM 575 C ASN A 39 15.066 -29.009 -22.962 1.00 23.03 C ATOM 576 O ASN A 39 14.052 -29.655 -23.222 1.00 14.24 O ATOM 577 CB ASN A 39 15.730 -30.658 -21.201 1.00 75.11 C ATOM 578 CG ASN A 39 15.469 -32.028 -21.798 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.732 -32.263 -22.978 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.949 -32.938 -20.984 1.00 64.12 N ATOM 0 H ASN A 39 18.032 -28.598 -21.964 1.00 32.24 H new ATOM 0 HA ASN A 39 16.851 -30.185 -22.975 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.460 -30.748 -20.396 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.811 -30.277 -20.756 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.751 -33.877 -21.329 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.747 -32.698 -20.013 1.00 64.12 H new ATOM 587 N TRP A 40 15.210 -27.728 -23.283 1.00 1.42 N ATOM 588 CA TRP A 40 14.159 -26.991 -23.977 1.00 70.44 C ATOM 589 C TRP A 40 12.822 -27.151 -23.262 1.00 14.41 C ATOM 590 O TRP A 40 11.770 -27.206 -23.900 1.00 75.11 O ATOM 591 CB TRP A 40 14.040 -27.474 -25.423 1.00 13.40 C ATOM 592 CG TRP A 40 15.349 -27.504 -26.150 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.348 -28.423 -26.000 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.803 -26.572 -27.138 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.396 -28.118 -26.835 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.086 -26.988 -27.545 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.250 -25.428 -27.720 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.822 -26.299 -28.506 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.981 -24.746 -28.672 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.255 -25.183 -29.059 1.00 62.54 C ATOM 0 H TRP A 40 16.043 -27.178 -23.074 1.00 1.42 H new ATOM 0 HA TRP A 40 14.427 -25.934 -23.976 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.606 -28.474 -25.430 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.350 -26.823 -25.960 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.319 -29.265 -25.325 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.264 -28.647 -26.913 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.268 -25.084 -27.430 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.805 -26.633 -28.804 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.564 -23.860 -29.127 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.800 -24.628 -29.808 1.00 62.54 H new ATOM 611 N SER A 41 12.868 -27.223 -21.935 1.00 25.55 N ATOM 612 CA SER A 41 11.659 -27.378 -21.135 1.00 24.31 C ATOM 613 C SER A 41 11.352 -26.101 -20.361 1.00 73.12 C ATOM 614 O SER A 41 10.527 -26.097 -19.447 1.00 72.53 O ATOM 615 CB SER A 41 11.812 -28.552 -20.165 1.00 23.43 C ATOM 616 OG SER A 41 10.562 -28.918 -19.607 1.00 55.35 O ATOM 0 H SER A 41 13.730 -27.176 -21.392 1.00 25.55 H new ATOM 0 HA SER A 41 10.828 -27.580 -21.811 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.245 -29.405 -20.687 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.505 -28.282 -19.368 1.00 23.43 H new ATOM 0 HG SER A 41 10.068 -28.111 -19.354 1.00 55.35 H new ATOM 622 N THR A 42 12.022 -25.015 -20.734 1.00 74.23 N ATOM 623 CA THR A 42 11.822 -23.730 -20.075 1.00 14.13 C ATOM 624 C THR A 42 12.437 -22.595 -20.887 1.00 20.24 C ATOM 625 O THR A 42 13.454 -22.776 -21.556 1.00 53.41 O ATOM 626 CB THR A 42 12.432 -23.723 -18.660 1.00 54.43 C ATOM 627 OG1 THR A 42 12.184 -22.464 -18.026 1.00 52.32 O ATOM 628 CG2 THR A 42 13.930 -23.983 -18.715 1.00 23.45 C ATOM 0 H THR A 42 12.708 -25.000 -21.489 1.00 74.23 H new ATOM 0 HA THR A 42 10.745 -23.578 -19.999 1.00 14.13 H new ATOM 0 HB THR A 42 11.962 -24.519 -18.082 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.573 -22.468 -17.127 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.338 -23.973 -17.704 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.114 -24.956 -19.171 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.412 -23.207 -19.309 1.00 23.45 H new ATOM 636 N LYS A 43 11.814 -21.423 -20.820 1.00 1.11 N ATOM 637 CA LYS A 43 12.301 -20.256 -21.548 1.00 64.11 C ATOM 638 C LYS A 43 12.997 -19.279 -20.606 1.00 3.12 C ATOM 639 O LYS A 43 12.383 -18.752 -19.678 1.00 72.24 O ATOM 640 CB LYS A 43 11.143 -19.554 -22.261 1.00 65.14 C ATOM 641 CG LYS A 43 11.115 -19.798 -23.760 1.00 42.20 C ATOM 642 CD LYS A 43 10.096 -18.909 -24.451 1.00 2.13 C ATOM 643 CE LYS A 43 9.036 -19.729 -25.170 1.00 63.12 C ATOM 644 NZ LYS A 43 7.673 -19.158 -24.986 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.972 -21.256 -20.270 1.00 1.11 H new ATOM 0 HA LYS A 43 13.024 -20.597 -22.289 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.202 -19.893 -21.828 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.210 -18.482 -22.077 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.104 -19.612 -24.178 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.878 -20.844 -23.955 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.619 -18.261 -23.716 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.603 -18.261 -25.166 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.271 -19.773 -26.234 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.054 -20.753 -24.797 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 6.961 -19.898 -25.150 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.577 -18.794 -24.016 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.527 -18.382 -25.663 1.00 4.54 H new ATOM 658 N ILE A 44 14.282 -19.043 -20.849 1.00 22.14 N ATOM 659 CA ILE A 44 15.059 -18.128 -20.024 1.00 54.22 C ATOM 660 C ILE A 44 14.819 -16.678 -20.434 1.00 22.01 C ATOM 661 O ILE A 44 14.856 -16.326 -21.612 1.00 31.33 O ATOM 662 CB ILE A 44 16.567 -18.431 -20.113 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.929 -19.604 -19.199 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.379 -17.197 -19.748 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.352 -20.926 -19.655 1.00 62.32 C ATOM 0 H ILE A 44 14.806 -19.473 -21.611 1.00 22.14 H new ATOM 0 HA ILE A 44 14.727 -18.272 -18.996 1.00 54.22 H new ATOM 0 HB ILE A 44 16.806 -18.708 -21.140 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.014 -19.690 -19.144 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.575 -19.391 -18.190 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.442 -17.428 -19.816 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.139 -16.387 -20.436 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.138 -16.891 -18.730 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.649 -21.712 -18.960 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.264 -20.858 -19.683 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.726 -21.162 -20.651 1.00 62.32 H new ATOM 677 N PRO A 45 14.569 -15.816 -19.437 1.00 72.14 N ATOM 678 CA PRO A 45 14.320 -14.390 -19.668 1.00 74.30 C ATOM 679 C PRO A 45 15.573 -13.650 -20.126 1.00 3.41 C ATOM 680 O PRO A 45 16.663 -13.867 -19.596 1.00 31.12 O ATOM 681 CB PRO A 45 13.870 -13.881 -18.297 1.00 2.44 C ATOM 682 CG PRO A 45 14.480 -14.828 -17.322 1.00 44.21 C ATOM 683 CD PRO A 45 14.510 -16.166 -18.008 1.00 20.33 C ATOM 0 HA PRO A 45 13.588 -14.227 -20.459 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.210 -12.860 -18.123 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.783 -13.874 -18.215 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.485 -14.509 -17.044 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.895 -14.873 -16.404 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.375 -16.755 -17.703 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.624 -16.757 -17.775 1.00 20.33 H new ATOM 691 N LEU A 46 15.410 -12.774 -21.112 1.00 64.14 N ATOM 692 CA LEU A 46 16.528 -12.000 -21.640 1.00 65.52 C ATOM 693 C LEU A 46 16.597 -10.625 -20.985 1.00 32.13 C ATOM 694 O LEU A 46 15.764 -9.758 -21.250 1.00 65.14 O ATOM 695 CB LEU A 46 16.397 -11.849 -23.157 1.00 61.33 C ATOM 696 CG LEU A 46 17.346 -12.701 -24.001 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.802 -14.113 -24.153 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.566 -12.063 -25.365 1.00 72.32 C ATOM 0 H LEU A 46 14.515 -12.582 -21.562 1.00 64.14 H new ATOM 0 HA LEU A 46 17.449 -12.536 -21.412 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.373 -12.094 -23.439 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.557 -10.802 -23.413 1.00 61.33 H new ATOM 0 HG LEU A 46 18.307 -12.756 -23.489 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.490 -14.705 -24.756 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.697 -14.570 -23.169 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.829 -14.077 -24.643 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.244 -12.683 -25.952 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.612 -11.977 -25.885 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.000 -11.071 -25.237 1.00 72.32 H new ATOM 710 N ILE A 47 17.596 -10.432 -20.130 1.00 14.12 N ATOM 711 CA ILE A 47 17.774 -9.161 -19.439 1.00 74.30 C ATOM 712 C ILE A 47 17.775 -7.996 -20.423 1.00 14.44 C ATOM 713 O ILE A 47 18.736 -7.797 -21.168 1.00 31.41 O ATOM 714 CB ILE A 47 19.087 -9.138 -18.634 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.107 -10.281 -17.616 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.256 -7.796 -17.936 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.961 -10.229 -16.630 1.00 44.14 C ATOM 0 H ILE A 47 18.294 -11.139 -19.899 1.00 14.12 H new ATOM 0 HA ILE A 47 16.934 -9.054 -18.753 1.00 74.30 H new ATOM 0 HB ILE A 47 19.921 -9.275 -19.322 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.076 -11.232 -18.148 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.049 -10.253 -17.068 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.188 -7.795 -17.371 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.281 -7.000 -18.680 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.420 -7.631 -17.257 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.038 -11.068 -15.939 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.003 -9.294 -16.072 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.015 -10.288 -17.168 1.00 44.14 H new ATOM 729 N LYS A 48 16.691 -7.228 -20.422 1.00 15.21 N ATOM 730 CA LYS A 48 16.565 -6.079 -21.312 1.00 3.13 C ATOM 731 C LYS A 48 17.556 -4.983 -20.930 1.00 43.44 C ATOM 732 O LYS A 48 17.515 -4.456 -19.819 1.00 42.12 O ATOM 733 CB LYS A 48 15.138 -5.528 -21.269 1.00 15.03 C ATOM 734 CG LYS A 48 14.683 -4.913 -22.581 1.00 21.42 C ATOM 735 CD LYS A 48 13.168 -4.865 -22.679 1.00 24.00 C ATOM 736 CE LYS A 48 12.712 -4.038 -23.872 1.00 64.10 C ATOM 737 NZ LYS A 48 11.379 -4.473 -24.372 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.886 -7.380 -19.814 1.00 15.21 H new ATOM 0 HA LYS A 48 16.790 -6.411 -22.326 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.455 -6.333 -20.999 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.072 -4.776 -20.483 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.086 -3.904 -22.670 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.084 -5.491 -23.413 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.776 -5.878 -22.766 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.756 -4.442 -21.763 1.00 24.00 H new ATOM 0 HE2 LYS A 48 12.668 -2.986 -23.589 1.00 64.10 H new ATOM 0 HE3 LYS A 48 13.446 -4.122 -24.674 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.104 -3.885 -25.185 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.427 -5.469 -24.666 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 10.673 -4.369 -23.615 1.00 1.32 H new ATOM 751 N SER A 49 18.445 -4.646 -21.859 1.00 43.44 N ATOM 752 CA SER A 49 19.448 -3.615 -21.619 1.00 72.14 C ATOM 753 C SER A 49 19.173 -2.381 -22.472 1.00 60.13 C ATOM 754 O SER A 49 18.506 -2.461 -23.504 1.00 5.42 O ATOM 755 CB SER A 49 20.847 -4.155 -21.919 1.00 41.12 C ATOM 756 OG SER A 49 21.830 -3.471 -21.162 1.00 21.32 O ATOM 0 H SER A 49 18.491 -5.072 -22.785 1.00 43.44 H new ATOM 0 HA SER A 49 19.395 -3.328 -20.569 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.885 -5.221 -21.693 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.062 -4.047 -22.982 1.00 41.12 H new ATOM 0 HG SER A 49 22.716 -3.836 -21.370 1.00 21.32 H new ATOM 762 N HIS A 50 19.691 -1.238 -22.032 1.00 41.43 N ATOM 763 CA HIS A 50 19.503 0.015 -22.755 1.00 30.33 C ATOM 764 C HIS A 50 19.982 -0.112 -24.197 1.00 5.15 C ATOM 765 O HIS A 50 19.518 0.606 -25.081 1.00 32.14 O ATOM 766 CB HIS A 50 20.251 1.149 -22.055 1.00 41.03 C ATOM 767 CG HIS A 50 19.790 1.394 -20.651 1.00 40.43 C ATOM 768 ND1 HIS A 50 18.773 2.269 -20.333 1.00 11.43 N ATOM 769 CD2 HIS A 50 20.213 0.869 -19.477 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.592 2.274 -19.024 1.00 0.03 C ATOM 771 NE2 HIS A 50 19.453 1.433 -18.481 1.00 34.54 N ATOM 0 H HIS A 50 20.244 -1.154 -21.179 1.00 41.43 H new ATOM 0 HA HIS A 50 18.437 0.244 -22.764 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.316 0.918 -22.044 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.130 2.065 -22.634 1.00 41.03 H new ATOM 0 HD2 HIS A 50 21.001 0.142 -19.347 1.00 70.45 H new ATOM 0 HE1 HIS A 50 17.864 2.865 -18.489 1.00 0.03 H new ATOM 0 HE2 HIS A 50 19.540 1.234 -17.484 1.00 34.54 H new ATOM 779 N ASN A 51 20.914 -1.032 -24.427 1.00 15.24 N ATOM 780 CA ASN A 51 21.458 -1.252 -25.763 1.00 64.25 C ATOM 781 C ASN A 51 20.629 -2.283 -26.523 1.00 63.54 C ATOM 782 O ASN A 51 20.237 -2.055 -27.668 1.00 35.54 O ATOM 783 CB ASN A 51 22.913 -1.717 -25.672 1.00 63.32 C ATOM 784 CG ASN A 51 23.838 -0.625 -25.172 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.637 -0.073 -24.091 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.860 -0.309 -25.959 1.00 71.10 N ATOM 0 H ASN A 51 21.308 -1.637 -23.706 1.00 15.24 H new ATOM 0 HA ASN A 51 21.418 -0.308 -26.306 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.976 -2.577 -25.005 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.247 -2.051 -26.654 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.517 0.418 -25.675 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.988 -0.793 -26.848 1.00 71.10 H new ATOM 793 N ASP A 52 20.366 -3.415 -25.880 1.00 2.33 N ATOM 794 CA ASP A 52 19.582 -4.479 -26.496 1.00 51.51 C ATOM 795 C ASP A 52 19.310 -5.599 -25.497 1.00 40.41 C ATOM 796 O ASP A 52 19.603 -5.471 -24.308 1.00 50.31 O ATOM 797 CB ASP A 52 20.312 -5.036 -27.719 1.00 20.42 C ATOM 798 CG ASP A 52 21.651 -5.652 -27.365 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.674 -6.835 -26.969 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.677 -4.948 -27.483 1.00 62.31 O ATOM 0 H ASP A 52 20.684 -3.620 -24.933 1.00 2.33 H new ATOM 0 HA ASP A 52 18.628 -4.058 -26.813 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.686 -5.787 -28.201 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.464 -4.236 -28.443 1.00 20.42 H new ATOM 805 N PHE A 53 18.745 -6.699 -25.988 1.00 23.22 N ATOM 806 CA PHE A 53 18.431 -7.841 -25.138 1.00 74.32 C ATOM 807 C PHE A 53 19.640 -8.761 -24.993 1.00 74.52 C ATOM 808 O PHE A 53 20.464 -8.870 -25.901 1.00 63.11 O ATOM 809 CB PHE A 53 17.249 -8.622 -25.714 1.00 20.02 C ATOM 810 CG PHE A 53 16.002 -7.798 -25.865 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.835 -6.965 -26.960 1.00 71.15 C ATOM 812 CD2 PHE A 53 14.998 -7.854 -24.912 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.688 -6.206 -27.103 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.850 -7.097 -25.050 1.00 25.13 C ATOM 815 CZ PHE A 53 13.696 -6.271 -26.146 1.00 23.43 C ATOM 0 H PHE A 53 18.496 -6.822 -26.969 1.00 23.22 H new ATOM 0 HA PHE A 53 18.163 -7.464 -24.151 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.529 -9.024 -26.688 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.036 -9.473 -25.067 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.610 -6.908 -27.710 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.114 -8.496 -24.052 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.569 -5.563 -27.963 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.074 -7.151 -24.301 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.801 -5.677 -26.254 1.00 23.43 H new ATOM 825 N VAL A 54 19.741 -9.419 -23.842 1.00 60.01 N ATOM 826 CA VAL A 54 20.848 -10.330 -23.578 1.00 21.43 C ATOM 827 C VAL A 54 20.425 -11.449 -22.633 1.00 43.31 C ATOM 828 O VAL A 54 19.372 -11.376 -22.000 1.00 73.14 O ATOM 829 CB VAL A 54 22.052 -9.587 -22.970 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.592 -8.555 -23.948 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.664 -8.932 -21.652 1.00 4.03 C ATOM 0 H VAL A 54 19.070 -9.338 -23.078 1.00 60.01 H new ATOM 0 HA VAL A 54 21.141 -10.759 -24.536 1.00 21.43 H new ATOM 0 HB VAL A 54 22.841 -10.312 -22.771 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.442 -8.040 -23.501 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.910 -9.053 -24.864 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.811 -7.831 -24.181 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.527 -8.411 -21.236 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.858 -8.219 -21.824 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.329 -9.696 -20.951 1.00 4.03 H new ATOM 841 N ALA A 55 21.254 -12.483 -22.540 1.00 4.51 N ATOM 842 CA ALA A 55 20.967 -13.617 -21.671 1.00 54.01 C ATOM 843 C ALA A 55 22.200 -14.017 -20.865 1.00 32.03 C ATOM 844 O ALA A 55 23.329 -13.905 -21.344 1.00 42.01 O ATOM 845 CB ALA A 55 20.465 -14.797 -22.490 1.00 40.42 C ATOM 0 H ALA A 55 22.130 -12.559 -23.056 1.00 4.51 H new ATOM 0 HA ALA A 55 20.188 -13.317 -20.970 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.255 -15.637 -21.827 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.554 -14.513 -23.016 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.226 -15.088 -23.214 1.00 40.42 H new ATOM 851 N ILE A 56 21.976 -14.480 -19.640 1.00 34.40 N ATOM 852 CA ILE A 56 23.068 -14.896 -18.770 1.00 21.40 C ATOM 853 C ILE A 56 22.719 -16.180 -18.025 1.00 72.24 C ATOM 854 O ILE A 56 21.811 -16.202 -17.194 1.00 72.43 O ATOM 855 CB ILE A 56 23.420 -13.801 -17.746 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.749 -12.489 -18.462 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.587 -14.244 -16.877 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.972 -12.575 -19.347 1.00 74.44 C ATOM 0 H ILE A 56 21.048 -14.576 -19.228 1.00 34.40 H new ATOM 0 HA ILE A 56 23.932 -15.074 -19.411 1.00 21.40 H new ATOM 0 HB ILE A 56 22.556 -13.635 -17.102 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.893 -12.190 -19.067 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.903 -11.707 -17.718 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.824 -13.459 -16.158 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.318 -15.156 -16.343 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.457 -14.435 -17.506 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.146 -11.610 -19.823 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.839 -12.844 -18.744 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.814 -13.334 -20.113 1.00 74.44 H new ATOM 870 N LEU A 57 23.448 -17.249 -18.326 1.00 23.15 N ATOM 871 CA LEU A 57 23.218 -18.538 -17.684 1.00 22.42 C ATOM 872 C LEU A 57 24.505 -19.354 -17.623 1.00 52.54 C ATOM 873 O LEU A 57 25.205 -19.503 -18.625 1.00 60.35 O ATOM 874 CB LEU A 57 22.139 -19.320 -18.437 1.00 74.01 C ATOM 875 CG LEU A 57 22.054 -19.066 -19.942 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.532 -20.299 -20.663 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.170 -17.863 -20.231 1.00 20.50 C ATOM 0 H LEU A 57 24.204 -17.248 -19.011 1.00 23.15 H new ATOM 0 HA LEU A 57 22.879 -18.353 -16.665 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.312 -20.384 -18.278 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.172 -19.084 -17.994 1.00 74.01 H new ATOM 0 HG LEU A 57 23.057 -18.852 -20.312 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.478 -20.099 -21.733 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.205 -21.138 -20.484 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.538 -20.545 -20.290 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.121 -17.697 -21.307 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.167 -18.048 -19.847 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.587 -16.980 -19.747 1.00 20.50 H new ATOM 889 N ASP A 58 24.809 -19.882 -16.442 1.00 34.22 N ATOM 890 CA ASP A 58 26.010 -20.686 -16.252 1.00 0.11 C ATOM 891 C ASP A 58 25.853 -22.059 -16.896 1.00 63.43 C ATOM 892 O ASP A 58 25.081 -22.894 -16.422 1.00 41.24 O ATOM 893 CB ASP A 58 26.315 -20.840 -14.761 1.00 24.31 C ATOM 894 CG ASP A 58 25.154 -21.440 -13.992 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.161 -20.719 -13.760 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 25.239 -22.629 -13.620 1.00 2.41 O ATOM 0 H ASP A 58 24.241 -19.768 -15.603 1.00 34.22 H new ATOM 0 HA ASP A 58 26.841 -20.172 -16.734 1.00 0.11 H new ATOM 0 HB2 ASP A 58 27.195 -21.471 -14.636 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.560 -19.865 -14.341 1.00 24.31 H new ATOM 901 N LEU A 59 26.588 -22.287 -17.978 1.00 33.22 N ATOM 902 CA LEU A 59 26.531 -23.560 -18.689 1.00 60.20 C ATOM 903 C LEU A 59 27.855 -24.306 -18.580 1.00 1.03 C ATOM 904 O LEU A 59 28.921 -23.709 -18.426 1.00 70.11 O ATOM 905 CB LEU A 59 26.183 -23.329 -20.162 1.00 32.04 C ATOM 906 CG LEU A 59 25.051 -22.338 -20.437 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.110 -21.847 -21.874 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.700 -22.976 -20.144 1.00 1.32 C ATOM 0 H LEU A 59 27.231 -21.607 -18.383 1.00 33.22 H new ATOM 0 HA LEU A 59 25.753 -24.169 -18.228 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.078 -22.979 -20.675 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.915 -24.288 -20.606 1.00 32.04 H new ATOM 0 HG LEU A 59 25.176 -21.480 -19.776 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.297 -21.143 -22.052 1.00 43.15 H new ATOM 0 HD12 LEU A 59 26.065 -21.351 -22.050 1.00 43.15 H new ATOM 0 HD13 LEU A 59 25.011 -22.694 -22.552 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.906 -22.256 -20.345 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.566 -23.851 -20.779 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.659 -23.278 -19.097 1.00 1.32 H new ATOM 920 N PRO A 60 27.791 -25.644 -18.662 1.00 53.42 N ATOM 921 CA PRO A 60 28.977 -26.500 -18.576 1.00 72.32 C ATOM 922 C PRO A 60 29.875 -26.371 -19.802 1.00 43.23 C ATOM 923 O PRO A 60 29.401 -26.086 -20.901 1.00 43.11 O ATOM 924 CB PRO A 60 28.390 -27.911 -18.490 1.00 45.22 C ATOM 925 CG PRO A 60 27.055 -27.808 -19.145 1.00 34.34 C ATOM 926 CD PRO A 60 26.554 -26.422 -18.845 1.00 31.23 C ATOM 0 HA PRO A 60 29.611 -26.235 -17.730 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.026 -28.636 -18.999 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.298 -28.239 -17.455 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.134 -27.971 -20.220 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.371 -28.563 -18.758 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.949 -26.028 -19.661 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.932 -26.404 -17.950 1.00 31.23 H new ATOM 934 N GLU A 61 31.173 -26.583 -19.604 1.00 34.34 N ATOM 935 CA GLU A 61 32.136 -26.489 -20.695 1.00 51.40 C ATOM 936 C GLU A 61 31.784 -27.463 -21.816 1.00 71.00 C ATOM 937 O GLU A 61 31.851 -28.679 -21.641 1.00 52.22 O ATOM 938 CB GLU A 61 33.549 -26.773 -20.182 1.00 14.52 C ATOM 939 CG GLU A 61 34.580 -26.921 -21.288 1.00 12.24 C ATOM 940 CD GLU A 61 34.723 -28.354 -21.765 1.00 4.13 C ATOM 941 OE1 GLU A 61 34.622 -29.270 -20.923 1.00 62.21 O ATOM 942 OE2 GLU A 61 34.936 -28.557 -22.978 1.00 14.15 O1- ATOM 0 H GLU A 61 31.581 -26.821 -18.700 1.00 34.34 H new ATOM 0 HA GLU A 61 32.099 -25.475 -21.093 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.855 -25.965 -19.518 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.534 -27.686 -19.587 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.298 -26.288 -22.130 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.545 -26.563 -20.930 1.00 12.24 H new ATOM 949 N GLY A 62 31.410 -26.918 -22.969 1.00 75.14 N ATOM 950 CA GLY A 62 31.053 -27.752 -24.102 1.00 3.44 C ATOM 951 C GLY A 62 30.315 -26.982 -25.179 1.00 3.40 C ATOM 952 O GLY A 62 30.377 -25.754 -25.226 1.00 30.13 O ATOM 0 H GLY A 62 31.348 -25.914 -23.139 1.00 75.14 H new ATOM 0 HA2 GLY A 62 31.957 -28.189 -24.527 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.430 -28.578 -23.759 1.00 3.44 H new ATOM 956 N GLU A 63 29.615 -27.705 -26.048 1.00 44.04 N ATOM 957 CA GLU A 63 28.864 -27.081 -27.130 1.00 31.31 C ATOM 958 C GLU A 63 27.369 -27.345 -26.978 1.00 34.40 C ATOM 959 O GLU A 63 26.968 -28.503 -26.874 1.00 55.14 O ATOM 960 CB GLU A 63 29.348 -27.603 -28.484 1.00 71.45 C ATOM 961 CG GLU A 63 28.537 -27.090 -29.661 1.00 41.01 C ATOM 962 CD GLU A 63 28.926 -27.749 -30.970 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.089 -27.585 -31.394 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.067 -28.428 -31.571 1.00 63.41 O1- ATOM 0 H GLU A 63 29.553 -28.723 -26.023 1.00 44.04 H new ATOM 0 HA GLU A 63 29.033 -26.005 -27.081 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.391 -27.319 -28.621 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.313 -28.692 -28.477 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.478 -27.265 -29.471 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.671 -26.012 -29.747 1.00 41.01 H new ATOM 971 N HIS A 64 26.585 -26.276 -26.966 1.00 11.42 N ATOM 972 CA HIS A 64 25.145 -26.405 -26.825 1.00 43.11 C ATOM 973 C HIS A 64 24.447 -25.605 -27.927 1.00 20.11 C ATOM 974 O HIS A 64 25.053 -24.789 -28.622 1.00 22.41 O ATOM 975 CB HIS A 64 24.697 -25.996 -25.421 1.00 0.52 C ATOM 976 CG HIS A 64 25.826 -25.884 -24.425 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.768 -24.913 -24.249 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.078 -26.850 -23.465 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.551 -25.265 -23.237 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.125 -26.466 -22.750 1.00 33.03 N flip ATOM 0 H HIS A 64 26.921 -25.317 -27.052 1.00 11.42 H new ATOM 0 HA HIS A 64 24.857 -27.449 -26.945 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.182 -25.037 -25.480 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.974 -26.725 -25.055 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.516 -27.762 -23.323 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.388 -24.695 -22.861 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.540 -26.978 -21.972 1.00 33.03 H new ATOM 988 N GLN A 65 23.151 -25.859 -28.071 1.00 1.42 N ATOM 989 CA GLN A 65 22.347 -25.177 -29.079 1.00 75.43 C ATOM 990 C GLN A 65 21.140 -24.496 -28.442 1.00 40.13 C ATOM 991 O GLN A 65 20.357 -25.130 -27.735 1.00 52.02 O ATOM 992 CB GLN A 65 21.882 -26.169 -30.147 1.00 73.02 C ATOM 993 CG GLN A 65 22.821 -26.262 -31.340 1.00 71.31 C ATOM 994 CD GLN A 65 22.882 -27.658 -31.927 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.744 -28.499 -31.366 1.00 5.51 O flip ATOM 996 NE2 GLN A 65 22.164 -27.978 -32.874 1.00 53.03 N flip ATOM 0 H GLN A 65 22.635 -26.531 -27.503 1.00 1.42 H new ATOM 0 HA GLN A 65 22.968 -24.413 -29.548 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.782 -27.156 -29.696 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.892 -25.877 -30.496 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.495 -25.562 -32.110 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.822 -25.956 -31.035 1.00 71.31 H new ATOM 0 HE21 GLN A 65 21.516 -27.300 -33.274 1.00 53.03 H new ATOM 0 HE22 GLN A 65 22.217 -28.921 -33.258 1.00 53.03 H new ATOM 1005 N TYR A 66 20.996 -23.200 -28.698 1.00 4.15 N ATOM 1006 CA TYR A 66 19.887 -22.431 -28.147 1.00 72.34 C ATOM 1007 C TYR A 66 19.012 -21.863 -29.261 1.00 74.34 C ATOM 1008 O TYR A 66 19.268 -22.087 -30.444 1.00 1.32 O ATOM 1009 CB TYR A 66 20.412 -21.296 -27.267 1.00 10.24 C ATOM 1010 CG TYR A 66 21.257 -20.291 -28.016 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.580 -20.569 -28.338 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.735 -19.062 -28.401 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.357 -19.654 -29.021 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.503 -18.142 -29.086 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.814 -18.442 -29.394 1.00 22.23 C ATOM 1016 OH TYR A 66 23.583 -17.527 -30.075 1.00 12.33 O ATOM 0 H TYR A 66 21.634 -22.661 -29.284 1.00 4.15 H new ATOM 0 HA TYR A 66 19.280 -23.102 -27.539 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.567 -20.780 -26.812 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.002 -21.720 -26.455 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.008 -21.517 -28.049 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.710 -18.822 -28.160 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.384 -19.886 -29.262 1.00 71.43 H new ATOM 0 HE2 TYR A 66 21.080 -17.193 -29.379 1.00 2.40 H new ATOM 0 HH TYR A 66 23.241 -16.624 -29.908 1.00 12.33 H new ATOM 1026 N LYS A 67 17.977 -21.126 -28.874 1.00 53.20 N ATOM 1027 CA LYS A 67 17.064 -20.522 -29.836 1.00 62.12 C ATOM 1028 C LYS A 67 16.371 -19.302 -29.238 1.00 21.43 C ATOM 1029 O LYS A 67 16.045 -19.280 -28.050 1.00 63.05 O ATOM 1030 CB LYS A 67 16.019 -21.544 -30.289 1.00 52.15 C ATOM 1031 CG LYS A 67 15.107 -21.035 -31.392 1.00 4.31 C ATOM 1032 CD LYS A 67 15.806 -21.045 -32.742 1.00 75.43 C ATOM 1033 CE LYS A 67 14.906 -20.497 -33.839 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.793 -21.433 -34.162 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.749 -20.932 -27.899 1.00 53.20 H new ATOM 0 HA LYS A 67 17.647 -20.200 -30.699 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.529 -22.442 -30.637 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.411 -21.834 -29.432 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.212 -21.655 -31.440 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.781 -20.022 -31.157 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.717 -20.449 -32.686 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.106 -22.063 -32.990 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.494 -19.538 -33.526 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.497 -20.313 -34.736 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 12.897 -20.906 -34.204 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 13.973 -21.882 -35.082 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.730 -22.165 -33.426 1.00 33.33 H new ATOM 1048 N PHE A 68 16.147 -18.288 -30.068 1.00 0.13 N ATOM 1049 CA PHE A 68 15.491 -17.065 -29.620 1.00 34.41 C ATOM 1050 C PHE A 68 13.980 -17.155 -29.816 1.00 74.51 C ATOM 1051 O PHE A 68 13.500 -17.816 -30.736 1.00 43.04 O ATOM 1052 CB PHE A 68 16.044 -15.858 -30.381 1.00 21.54 C ATOM 1053 CG PHE A 68 17.406 -15.429 -29.915 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.688 -15.318 -28.563 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.405 -15.136 -30.829 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.940 -14.924 -28.131 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.659 -14.743 -30.403 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.926 -14.634 -29.052 1.00 60.24 C ATOM 0 H PHE A 68 16.410 -18.289 -31.054 1.00 0.13 H new ATOM 0 HA PHE A 68 15.695 -16.941 -28.556 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.091 -16.099 -31.443 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.352 -15.023 -30.274 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.920 -15.542 -27.838 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.201 -15.216 -31.887 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.147 -14.843 -27.074 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.430 -14.521 -31.126 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.904 -14.322 -28.717 1.00 60.24 H new ATOM 1068 N PHE A 69 13.236 -16.485 -28.942 1.00 64.40 N ATOM 1069 CA PHE A 69 11.779 -16.489 -29.017 1.00 63.41 C ATOM 1070 C PHE A 69 11.223 -15.077 -28.869 1.00 34.32 C ATOM 1071 O PHE A 69 11.029 -14.586 -27.756 1.00 62.44 O ATOM 1072 CB PHE A 69 11.196 -17.395 -27.931 1.00 5.13 C ATOM 1073 CG PHE A 69 9.694 -17.445 -27.936 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.018 -18.273 -28.818 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.958 -16.665 -27.058 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.636 -18.320 -28.825 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.577 -16.708 -27.060 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.915 -17.538 -27.944 1.00 3.22 C ATOM 0 H PHE A 69 13.617 -15.933 -28.174 1.00 64.40 H new ATOM 0 HA PHE A 69 11.491 -16.873 -29.996 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.586 -18.404 -28.063 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.537 -17.046 -26.956 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.577 -18.888 -29.508 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.470 -16.016 -26.364 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.121 -18.968 -29.519 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.016 -16.094 -26.371 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.836 -17.575 -27.946 1.00 3.22 H new ATOM 1088 N VAL A 70 10.969 -14.426 -30.000 1.00 51.23 N ATOM 1089 CA VAL A 70 10.434 -13.069 -29.998 1.00 53.12 C ATOM 1090 C VAL A 70 9.152 -12.983 -30.818 1.00 13.23 C ATOM 1091 O VAL A 70 8.965 -13.729 -31.778 1.00 23.10 O ATOM 1092 CB VAL A 70 11.457 -12.062 -30.558 1.00 52.31 C ATOM 1093 CG1 VAL A 70 10.968 -10.636 -30.354 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.816 -12.267 -29.908 1.00 41.35 C ATOM 0 H VAL A 70 11.125 -14.816 -30.929 1.00 51.23 H new ATOM 0 HA VAL A 70 10.216 -12.816 -28.960 1.00 53.12 H new ATOM 0 HB VAL A 70 11.563 -12.235 -31.629 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.703 -9.938 -30.755 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.018 -10.500 -30.871 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.832 -10.447 -29.289 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.526 -11.547 -30.315 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.730 -12.122 -28.831 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.168 -13.279 -30.111 1.00 41.35 H new ATOM 1104 N ASP A 71 8.270 -12.067 -30.432 1.00 3.15 N ATOM 1105 CA ASP A 71 7.004 -11.881 -31.132 1.00 54.03 C ATOM 1106 C ASP A 71 6.141 -13.135 -31.035 1.00 20.14 C ATOM 1107 O ASP A 71 5.404 -13.466 -31.963 1.00 62.44 O ATOM 1108 CB ASP A 71 7.255 -11.532 -32.599 1.00 64.34 C ATOM 1109 CG ASP A 71 6.105 -10.759 -33.216 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.112 -11.396 -33.623 1.00 63.53 O ATOM 1111 OD2 ASP A 71 6.200 -9.516 -33.289 1.00 51.33 O1- ATOM 0 H ASP A 71 8.409 -11.442 -29.638 1.00 3.15 H new ATOM 0 HA ASP A 71 6.471 -11.057 -30.657 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.169 -10.943 -32.678 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.417 -12.449 -33.165 1.00 64.34 H new ATOM 1116 N GLY A 72 6.238 -13.828 -29.904 1.00 2.30 N ATOM 1117 CA GLY A 72 5.461 -15.038 -29.707 1.00 30.24 C ATOM 1118 C GLY A 72 5.835 -16.133 -30.686 1.00 72.25 C ATOM 1119 O GLY A 72 5.021 -17.003 -30.994 1.00 21.11 O ATOM 0 H GLY A 72 6.840 -13.573 -29.121 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.608 -15.399 -28.689 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.401 -14.807 -29.813 1.00 30.24 H new ATOM 1123 N GLN A 73 7.070 -16.089 -31.178 1.00 45.23 N ATOM 1124 CA GLN A 73 7.548 -17.084 -32.129 1.00 20.11 C ATOM 1125 C GLN A 73 9.057 -17.272 -32.008 1.00 25.04 C ATOM 1126 O GLN A 73 9.778 -16.351 -31.623 1.00 32.35 O ATOM 1127 CB GLN A 73 7.187 -16.671 -33.557 1.00 33.33 C ATOM 1128 CG GLN A 73 7.916 -15.425 -34.033 1.00 51.12 C ATOM 1129 CD GLN A 73 7.759 -15.189 -35.522 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.588 -16.132 -36.297 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.815 -13.928 -35.931 1.00 32.52 N ATOM 0 H GLN A 73 7.756 -15.375 -30.933 1.00 45.23 H new ATOM 0 HA GLN A 73 7.062 -18.032 -31.899 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.414 -17.495 -34.233 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.112 -16.498 -33.616 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.539 -14.558 -33.490 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.975 -15.515 -33.793 1.00 51.12 H new ATOM 0 HE21 GLN A 73 7.958 -13.178 -35.254 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.715 -13.708 -36.922 1.00 32.52 H new ATOM 1140 N TRP A 74 9.528 -18.468 -32.339 1.00 23.22 N ATOM 1141 CA TRP A 74 10.952 -18.777 -32.267 1.00 12.20 C ATOM 1142 C TRP A 74 11.685 -18.255 -33.498 1.00 60.11 C ATOM 1143 O TRP A 74 11.461 -18.727 -34.613 1.00 24.22 O ATOM 1144 CB TRP A 74 11.162 -20.286 -32.135 1.00 50.12 C ATOM 1145 CG TRP A 74 10.634 -20.849 -30.850 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.405 -21.406 -30.643 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.321 -20.909 -29.596 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.285 -21.807 -29.334 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.448 -21.514 -28.671 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.589 -20.511 -29.163 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.803 -21.729 -27.342 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.941 -20.725 -27.843 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.051 -21.330 -26.945 1.00 52.42 C ATOM 0 H TRP A 74 8.945 -19.241 -32.660 1.00 23.22 H new ATOM 0 HA TRP A 74 11.361 -18.282 -31.386 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.674 -20.788 -32.971 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.227 -20.505 -32.209 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.640 -21.515 -31.397 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.464 -22.251 -28.923 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.282 -20.044 -29.848 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.118 -22.194 -26.649 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.918 -20.421 -27.498 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.356 -21.484 -25.920 1.00 52.42 H new ATOM 1164 N VAL A 75 12.562 -17.278 -33.289 1.00 42.22 N ATOM 1165 CA VAL A 75 13.329 -16.692 -34.383 1.00 53.15 C ATOM 1166 C VAL A 75 14.824 -16.921 -34.189 1.00 42.43 C ATOM 1167 O VAL A 75 15.259 -17.394 -33.139 1.00 15.11 O ATOM 1168 CB VAL A 75 13.063 -15.180 -34.508 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.596 -14.919 -34.808 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.494 -14.458 -33.240 1.00 33.52 C ATOM 0 H VAL A 75 12.759 -16.876 -32.373 1.00 42.22 H new ATOM 0 HA VAL A 75 13.005 -17.186 -35.299 1.00 53.15 H new ATOM 0 HB VAL A 75 13.653 -14.792 -35.338 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.427 -13.845 -34.893 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.324 -15.404 -35.746 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.983 -15.320 -34.001 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.299 -13.391 -33.345 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.933 -14.848 -32.391 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.559 -14.618 -33.075 1.00 33.52 H new ATOM 1180 N HIS A 76 15.606 -16.580 -35.208 1.00 54.12 N ATOM 1181 CA HIS A 76 17.054 -16.746 -35.149 1.00 10.02 C ATOM 1182 C HIS A 76 17.752 -15.753 -36.073 1.00 43.22 C ATOM 1183 O HIS A 76 17.154 -15.246 -37.022 1.00 33.44 O ATOM 1184 CB HIS A 76 17.440 -18.175 -35.532 1.00 62.13 C ATOM 1185 CG HIS A 76 17.261 -18.474 -36.989 1.00 63.23 C ATOM 1186 ND1 HIS A 76 17.978 -18.082 -38.067 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.241 -19.266 -37.474 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.385 -18.639 -39.174 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.340 -19.349 -38.789 1.00 14.42 N flip ATOM 0 H HIS A 76 15.262 -16.187 -36.084 1.00 54.12 H new ATOM 0 HA HIS A 76 17.376 -16.552 -34.126 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.481 -18.347 -35.260 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.839 -18.873 -34.950 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.481 -19.743 -36.873 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.719 -18.516 -40.194 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.716 -19.872 -39.403 1.00 14.42 H new ATOM 1197 N ASP A 77 19.021 -15.481 -35.790 1.00 61.11 N ATOM 1198 CA ASP A 77 19.801 -14.549 -36.596 1.00 41.41 C ATOM 1199 C ASP A 77 20.661 -15.296 -37.611 1.00 24.02 C ATOM 1200 O ASP A 77 21.334 -16.275 -37.289 1.00 23.04 O ATOM 1201 CB ASP A 77 20.687 -13.683 -35.698 1.00 44.44 C ATOM 1202 CG ASP A 77 21.054 -12.362 -36.347 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.895 -12.369 -37.270 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 20.500 -11.323 -35.931 1.00 34.33 O ATOM 0 H ASP A 77 19.531 -15.893 -35.009 1.00 61.11 H new ATOM 0 HA ASP A 77 19.107 -13.906 -37.138 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.169 -13.491 -34.758 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.598 -14.230 -35.455 1.00 44.44 H new ATOM 1209 N PRO A 78 20.640 -14.824 -38.867 1.00 15.43 N ATOM 1210 CA PRO A 78 21.410 -15.433 -39.954 1.00 4.43 C ATOM 1211 C PRO A 78 22.911 -15.214 -39.794 1.00 61.31 C ATOM 1212 O PRO A 78 23.719 -15.994 -40.298 1.00 23.50 O ATOM 1213 CB PRO A 78 20.895 -14.712 -41.201 1.00 61.03 C ATOM 1214 CG PRO A 78 20.396 -13.400 -40.701 1.00 70.11 C ATOM 1215 CD PRO A 78 19.860 -13.660 -39.320 1.00 31.15 C ATOM 0 HA PRO A 78 21.282 -16.515 -39.987 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.688 -14.580 -41.937 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.101 -15.279 -41.686 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.197 -12.662 -40.676 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.618 -13.004 -41.354 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.003 -12.801 -38.665 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.791 -13.874 -39.337 1.00 31.15 H new ATOM 1223 N SER A 79 23.277 -14.148 -39.089 1.00 34.01 N ATOM 1224 CA SER A 79 24.681 -13.825 -38.865 1.00 21.01 C ATOM 1225 C SER A 79 25.295 -14.760 -37.828 1.00 1.21 C ATOM 1226 O SER A 79 26.499 -15.017 -37.845 1.00 44.53 O ATOM 1227 CB SER A 79 24.825 -12.372 -38.408 1.00 32.35 C ATOM 1228 OG SER A 79 26.177 -11.952 -38.461 1.00 23.51 O ATOM 0 H SER A 79 22.621 -13.494 -38.663 1.00 34.01 H new ATOM 0 HA SER A 79 25.213 -13.957 -39.807 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.215 -11.727 -39.040 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.449 -12.269 -37.390 1.00 32.35 H new ATOM 0 HG SER A 79 26.242 -11.020 -38.166 1.00 23.51 H new ATOM 1234 N GLU A 80 24.459 -15.266 -36.927 1.00 41.40 N ATOM 1235 CA GLU A 80 24.920 -16.172 -35.882 1.00 72.34 C ATOM 1236 C GLU A 80 25.061 -17.594 -36.418 1.00 21.05 C ATOM 1237 O GLU A 80 24.491 -17.955 -37.448 1.00 74.53 O ATOM 1238 CB GLU A 80 23.951 -16.156 -34.698 1.00 2.30 C ATOM 1239 CG GLU A 80 24.292 -15.113 -33.647 1.00 10.13 C ATOM 1240 CD GLU A 80 23.713 -15.446 -32.285 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.578 -15.966 -32.235 1.00 15.10 O ATOM 1242 OE2 GLU A 80 24.393 -15.187 -31.271 1.00 21.22 O1- ATOM 0 H GLU A 80 23.460 -15.064 -36.900 1.00 41.40 H new ATOM 0 HA GLU A 80 25.899 -15.830 -35.546 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.942 -15.971 -35.067 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.944 -17.141 -34.231 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.375 -15.025 -33.566 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.917 -14.142 -33.969 1.00 10.13 H new ATOM 1249 N PRO A 81 25.840 -18.420 -35.705 1.00 13.13 N ATOM 1250 CA PRO A 81 26.075 -19.815 -36.089 1.00 34.44 C ATOM 1251 C PRO A 81 24.831 -20.681 -35.917 1.00 52.34 C ATOM 1252 O PRO A 81 24.690 -21.393 -34.923 1.00 32.21 O ATOM 1253 CB PRO A 81 27.178 -20.267 -35.128 1.00 71.33 C ATOM 1254 CG PRO A 81 27.031 -19.380 -33.939 1.00 70.53 C ATOM 1255 CD PRO A 81 26.551 -18.057 -34.467 1.00 61.31 C ATOM 0 HA PRO A 81 26.343 -19.908 -37.141 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.061 -21.316 -34.856 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.164 -20.163 -35.580 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.320 -19.797 -33.226 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.980 -19.270 -33.414 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.892 -17.557 -33.757 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.381 -17.378 -34.665 1.00 61.31 H new ATOM 1263 N VAL A 82 23.932 -20.615 -36.893 1.00 53.33 N ATOM 1264 CA VAL A 82 22.700 -21.395 -36.851 1.00 75.02 C ATOM 1265 C VAL A 82 22.862 -22.719 -37.589 1.00 72.11 C ATOM 1266 O VAL A 82 23.753 -22.872 -38.425 1.00 30.20 O ATOM 1267 CB VAL A 82 21.522 -20.617 -37.467 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.275 -19.327 -36.700 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.783 -20.331 -38.937 1.00 55.33 C ATOM 0 H VAL A 82 24.033 -20.030 -37.722 1.00 53.33 H new ATOM 0 HA VAL A 82 22.486 -21.592 -35.801 1.00 75.02 H new ATOM 0 HB VAL A 82 20.625 -21.232 -37.394 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.439 -18.791 -37.150 1.00 54.42 H new ATOM 0 HG12 VAL A 82 21.040 -19.560 -35.662 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.169 -18.704 -36.738 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.940 -19.781 -39.356 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.691 -19.736 -39.036 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.905 -21.271 -39.474 1.00 55.33 H new ATOM 1279 N VAL A 83 21.993 -23.675 -37.275 1.00 45.51 N ATOM 1280 CA VAL A 83 22.039 -24.987 -37.911 1.00 23.24 C ATOM 1281 C VAL A 83 20.650 -25.614 -37.975 1.00 60.32 C ATOM 1282 O VAL A 83 19.870 -25.523 -37.027 1.00 51.55 O ATOM 1283 CB VAL A 83 22.986 -25.941 -37.160 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.497 -26.172 -35.739 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.116 -27.260 -37.908 1.00 63.11 C ATOM 0 H VAL A 83 21.250 -23.566 -36.585 1.00 45.51 H new ATOM 0 HA VAL A 83 22.415 -24.836 -38.923 1.00 23.24 H new ATOM 0 HB VAL A 83 23.972 -25.479 -37.108 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.179 -26.849 -35.225 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.460 -25.221 -35.208 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.500 -26.612 -35.764 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.789 -27.922 -37.363 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.135 -27.728 -37.993 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.517 -27.075 -38.905 1.00 63.11 H new ATOM 1377 N ILE A 90 15.549 -24.509 -37.423 1.00 10.10 N ATOM 1378 CA ILE A 90 16.804 -23.772 -37.336 1.00 62.35 C ATOM 1379 C ILE A 90 17.061 -23.287 -35.914 1.00 75.12 C ATOM 1380 O ILE A 90 16.217 -22.625 -35.311 1.00 35.51 O ATOM 1381 CB ILE A 90 16.813 -22.561 -38.289 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.399 -22.990 -39.698 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.189 -21.914 -38.310 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.378 -23.938 -40.354 1.00 52.12 C ATOM 0 HA ILE A 90 17.595 -24.462 -37.630 1.00 62.35 H new ATOM 0 HB ILE A 90 16.093 -21.827 -37.927 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.420 -23.467 -39.651 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.291 -22.103 -40.322 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.179 -21.060 -38.988 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.448 -21.578 -37.306 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.927 -22.640 -38.651 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.020 -24.199 -41.350 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.353 -23.457 -40.434 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.468 -24.842 -39.752 1.00 52.12 H new ATOM 1396 N ASN A 91 18.232 -23.621 -35.383 1.00 74.31 N ATOM 1397 CA ASN A 91 18.601 -23.218 -34.031 1.00 40.23 C ATOM 1398 C ASN A 91 20.008 -22.629 -34.003 1.00 12.32 C ATOM 1399 O ASN A 91 20.817 -22.887 -34.893 1.00 61.32 O ATOM 1400 CB ASN A 91 18.518 -24.413 -33.079 1.00 75.11 C ATOM 1401 CG ASN A 91 18.945 -25.709 -33.742 1.00 53.20 C ATOM 1402 OD1 ASN A 91 20.112 -26.214 -33.357 1.00 42.42 O flip ATOM 1403 ND2 ASN A 91 18.234 -26.251 -34.589 1.00 13.21 N flip ATOM 0 H ASN A 91 18.942 -24.170 -35.868 1.00 74.31 H new ATOM 0 HA ASN A 91 17.899 -22.451 -33.704 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.149 -24.227 -32.210 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.496 -24.514 -32.714 1.00 75.11 H new ATOM 0 HD21 ASN A 91 17.345 -25.828 -34.855 1.00 13.21 H new ATOM 0 HD22 ASN A 91 18.534 -27.123 -35.025 1.00 13.21 H new ATOM 1410 N ASN A 92 20.292 -21.836 -32.974 1.00 4.32 N ATOM 1411 CA ASN A 92 21.601 -21.211 -32.830 1.00 54.51 C ATOM 1412 C ASN A 92 22.617 -22.198 -32.263 1.00 33.33 C ATOM 1413 O ASN A 92 22.262 -23.306 -31.857 1.00 14.13 O ATOM 1414 CB ASN A 92 21.506 -19.983 -31.922 1.00 61.45 C ATOM 1415 CG ASN A 92 20.723 -18.851 -32.562 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.254 -18.306 -33.649 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.654 -18.473 -32.082 1.00 23.44 N flip ATOM 0 H ASN A 92 19.633 -21.612 -32.228 1.00 4.32 H new ATOM 0 HA ASN A 92 21.937 -20.899 -33.819 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.030 -20.265 -30.983 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.510 -19.635 -31.679 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.284 -18.922 -31.244 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.138 -17.711 -32.522 1.00 23.44 H new ATOM 1424 N LEU A 93 23.881 -21.790 -32.237 1.00 32.05 N ATOM 1425 CA LEU A 93 24.949 -22.637 -31.719 1.00 34.14 C ATOM 1426 C LEU A 93 25.868 -21.849 -30.792 1.00 2.14 C ATOM 1427 O LEU A 93 26.295 -20.741 -31.120 1.00 5.21 O ATOM 1428 CB LEU A 93 25.758 -23.234 -32.871 1.00 74.14 C ATOM 1429 CG LEU A 93 26.938 -24.122 -32.474 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.467 -25.281 -31.610 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.660 -24.635 -33.712 1.00 72.43 C ATOM 0 H LEU A 93 24.191 -20.877 -32.569 1.00 32.05 H new ATOM 0 HA LEU A 93 24.493 -23.445 -31.147 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.084 -23.819 -33.497 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.135 -22.416 -33.485 1.00 74.14 H new ATOM 0 HG LEU A 93 27.639 -23.524 -31.892 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.320 -25.902 -31.337 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.997 -24.893 -30.706 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.746 -25.880 -32.166 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.497 -25.265 -33.410 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.969 -25.217 -34.321 1.00 72.43 H new ATOM 0 HD23 LEU A 93 28.032 -23.791 -34.292 1.00 72.43 H new ATOM 1443 N ILE A 94 26.171 -22.428 -29.635 1.00 14.30 N ATOM 1444 CA ILE A 94 27.042 -21.781 -28.662 1.00 21.03 C ATOM 1445 C ILE A 94 28.133 -22.732 -28.182 1.00 2.32 C ATOM 1446 O ILE A 94 27.878 -23.912 -27.935 1.00 25.24 O ATOM 1447 CB ILE A 94 26.248 -21.273 -27.444 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.195 -20.664 -26.408 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.439 -22.406 -26.829 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.671 -19.386 -25.789 1.00 45.44 C ATOM 0 H ILE A 94 25.826 -23.344 -29.349 1.00 14.30 H new ATOM 0 HA ILE A 94 27.500 -20.931 -29.167 1.00 21.03 H new ATOM 0 HB ILE A 94 25.557 -20.498 -27.777 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.375 -21.394 -25.618 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.156 -20.462 -26.880 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.883 -22.031 -25.969 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.741 -22.798 -27.569 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.112 -23.201 -26.508 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.393 -19.010 -25.064 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.518 -18.640 -26.569 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.724 -19.586 -25.287 1.00 45.44 H new ATOM 1462 N HIS A 95 29.349 -22.212 -28.051 1.00 34.15 N ATOM 1463 CA HIS A 95 30.479 -23.016 -27.598 1.00 64.32 C ATOM 1464 C HIS A 95 31.101 -22.417 -26.340 1.00 64.02 C ATOM 1465 O HIS A 95 31.740 -21.367 -26.389 1.00 35.41 O ATOM 1466 CB HIS A 95 31.533 -23.120 -28.701 1.00 24.45 C ATOM 1467 CG HIS A 95 30.956 -23.396 -30.056 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.648 -22.401 -30.959 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.634 -24.563 -30.659 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.159 -22.944 -32.059 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.141 -24.255 -31.904 1.00 74.23 N ATOM 0 H HIS A 95 29.577 -21.238 -28.252 1.00 34.15 H new ATOM 0 HA HIS A 95 30.111 -24.015 -27.362 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.100 -22.190 -28.739 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.237 -23.912 -28.446 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.778 -21.402 -30.802 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.744 -25.552 -30.240 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.830 -22.407 -32.936 1.00 5.54 H new ATOM 1479 N VAL A 96 30.907 -23.094 -25.211 1.00 71.10 N ATOM 1480 CA VAL A 96 31.449 -22.630 -23.939 1.00 11.24 C ATOM 1481 C VAL A 96 32.761 -23.333 -23.611 1.00 23.32 C ATOM 1482 O VAL A 96 32.938 -24.514 -23.913 1.00 52.24 O ATOM 1483 CB VAL A 96 30.453 -22.862 -22.787 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.053 -22.412 -21.464 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.144 -22.137 -23.062 1.00 41.02 C ATOM 0 H VAL A 96 30.379 -23.965 -25.152 1.00 71.10 H new ATOM 0 HA VAL A 96 31.630 -21.560 -24.044 1.00 11.24 H new ATOM 0 HB VAL A 96 30.244 -23.930 -22.719 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.335 -22.584 -20.662 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.962 -22.980 -21.265 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.292 -21.350 -21.516 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.452 -22.311 -22.238 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.333 -21.068 -23.157 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.708 -22.512 -23.988 1.00 41.02 H new