USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 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 : amide:sc= 0.367 K(o=-0.73,f=-1.7) USER MOD Set 1.2: A 91 ASN : amide:sc= -1.1 K(o=-0.73,f=-1.4) USER MOD Set 2.1: A 34 SER OG : rot 91:sc= 0.938 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.63! C(o=-2.7!,f=-9.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 25 SER OG : rot 30:sc= 0.922 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 1.86 (180deg=1.2) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= -0.0461 (180deg=-0.0834) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.355 F(o=-1.6,f=-0.35) USER MOD Single : A 66 TYR OH : rot 130:sc= 0.107 USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= 0.168 (180deg=-0.746) USER MOD Single : A 73 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.1!) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -1.47 F(o=-3.6,f=-1.5) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0839 F(o=-0.61,f=-0.084) USER MOD Single : A 95 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.709 -22.909 -13.343 1.00 12.42 N ATOM 234 CA ALA A 17 29.768 -22.742 -14.790 1.00 42.35 C ATOM 235 C ALA A 17 29.779 -21.266 -15.173 1.00 62.44 C ATOM 236 O ALA A 17 29.195 -20.432 -14.480 1.00 42.53 O ATOM 237 CB ALA A 17 28.598 -23.452 -15.452 1.00 33.33 C ATOM 0 HA ALA A 17 30.697 -23.189 -15.144 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.655 -23.318 -16.532 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.636 -24.515 -15.215 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.662 -23.032 -15.084 1.00 33.33 H new ATOM 243 N ARG A 18 30.447 -20.950 -16.278 1.00 70.43 N ATOM 244 CA ARG A 18 30.533 -19.573 -16.750 1.00 32.44 C ATOM 245 C ARG A 18 29.236 -19.149 -17.431 1.00 34.41 C ATOM 246 O ARG A 18 28.435 -19.976 -17.866 1.00 12.32 O ATOM 247 CB ARG A 18 31.706 -19.418 -17.721 1.00 12.31 C ATOM 248 CG ARG A 18 33.015 -19.052 -17.041 1.00 64.34 C ATOM 249 CD ARG A 18 34.142 -18.893 -18.050 1.00 1.20 C ATOM 250 NE ARG A 18 35.070 -17.832 -17.671 1.00 31.54 N ATOM 251 CZ ARG A 18 35.914 -17.256 -18.521 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.945 -17.636 -19.791 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 36.729 -16.297 -18.100 1.00 25.53 N ATOM 0 H ARG A 18 30.936 -21.628 -16.862 1.00 70.43 H new ATOM 0 HA ARG A 18 30.696 -18.928 -15.886 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.839 -20.351 -18.268 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.460 -18.650 -18.455 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.890 -18.123 -16.484 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.279 -19.824 -16.318 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.684 -19.834 -18.139 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.722 -18.673 -19.031 1.00 1.20 H new ATOM 0 HE ARG A 18 35.071 -17.515 -16.701 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.320 -18.372 -20.118 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.594 -17.192 -20.441 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.708 -16.002 -17.124 1.00 25.53 H new ATOM 0 HH22 ARG A 18 37.377 -15.855 -18.753 1.00 25.53 H new ATOM 267 N PRO A 19 29.022 -17.828 -17.525 1.00 3.15 N ATOM 268 CA PRO A 19 27.823 -17.264 -18.152 1.00 23.40 C ATOM 269 C PRO A 19 27.804 -17.474 -19.662 1.00 70.32 C ATOM 270 O PRO A 19 28.825 -17.804 -20.267 1.00 5.33 O ATOM 271 CB PRO A 19 27.917 -15.773 -17.821 1.00 44.10 C ATOM 272 CG PRO A 19 29.373 -15.521 -17.621 1.00 71.22 C ATOM 273 CD PRO A 19 29.934 -16.784 -17.029 1.00 71.44 C ATOM 0 HA PRO A 19 26.912 -17.739 -17.788 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.517 -15.162 -18.630 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.346 -15.529 -16.925 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.861 -15.282 -18.566 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.535 -14.673 -16.956 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.960 -16.959 -17.354 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.947 -16.746 -15.940 1.00 71.44 H new ATOM 281 N THR A 20 26.637 -17.280 -20.268 1.00 62.41 N ATOM 282 CA THR A 20 26.485 -17.450 -21.707 1.00 11.43 C ATOM 283 C THR A 20 26.587 -16.112 -22.432 1.00 21.11 C ATOM 284 O THR A 20 26.333 -15.058 -21.849 1.00 33.42 O ATOM 285 CB THR A 20 25.137 -18.108 -22.057 1.00 72.41 C ATOM 286 OG1 THR A 20 25.150 -18.560 -23.416 1.00 51.10 O ATOM 287 CG2 THR A 20 23.989 -17.132 -21.853 1.00 52.22 C ATOM 0 H THR A 20 25.783 -17.005 -19.784 1.00 62.41 H new ATOM 0 HA THR A 20 27.295 -18.102 -22.035 1.00 11.43 H new ATOM 0 HB THR A 20 24.991 -18.960 -21.393 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.290 -18.979 -23.630 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.048 -17.619 -22.107 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.963 -16.813 -20.811 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.132 -16.263 -22.495 1.00 52.22 H new ATOM 295 N VAL A 21 26.960 -16.163 -23.707 1.00 64.42 N ATOM 296 CA VAL A 21 27.095 -14.954 -24.512 1.00 34.44 C ATOM 297 C VAL A 21 25.944 -14.824 -25.504 1.00 4.33 C ATOM 298 O VAL A 21 25.947 -15.459 -26.559 1.00 53.11 O ATOM 299 CB VAL A 21 28.427 -14.939 -25.284 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.564 -13.656 -26.088 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.598 -15.106 -24.327 1.00 42.33 C ATOM 0 H VAL A 21 27.174 -17.027 -24.204 1.00 64.42 H new ATOM 0 HA VAL A 21 27.074 -14.110 -23.822 1.00 34.44 H new ATOM 0 HB VAL A 21 28.433 -15.778 -25.980 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.512 -13.664 -26.627 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.742 -13.583 -26.800 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.537 -12.800 -25.414 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.532 -15.093 -24.889 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.598 -14.289 -23.605 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.505 -16.056 -23.800 1.00 42.33 H new ATOM 311 N ILE A 22 24.963 -13.999 -25.158 1.00 22.23 N ATOM 312 CA ILE A 22 23.806 -13.784 -26.019 1.00 2.23 C ATOM 313 C ILE A 22 23.537 -12.296 -26.217 1.00 11.25 C ATOM 314 O ILE A 22 23.634 -11.506 -25.277 1.00 71.43 O ATOM 315 CB ILE A 22 22.543 -14.449 -25.441 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.460 -15.910 -25.888 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.299 -13.687 -25.870 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.986 -16.888 -24.860 1.00 75.24 C ATOM 0 H ILE A 22 24.945 -13.468 -24.287 1.00 22.23 H new ATOM 0 HA ILE A 22 24.040 -14.240 -26.981 1.00 2.23 H new ATOM 0 HB ILE A 22 22.603 -14.424 -24.353 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.422 -16.154 -26.112 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.023 -16.031 -26.814 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.415 -14.170 -25.453 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.357 -12.661 -25.507 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.232 -13.683 -26.958 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.896 -17.904 -25.245 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.034 -16.670 -24.653 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.408 -16.796 -23.941 1.00 75.24 H new ATOM 330 N ARG A 23 23.198 -11.920 -27.446 1.00 22.13 N ATOM 331 CA ARG A 23 22.914 -10.527 -27.768 1.00 2.21 C ATOM 332 C ARG A 23 21.918 -10.428 -28.920 1.00 24.52 C ATOM 333 O ARG A 23 22.260 -10.686 -30.074 1.00 2.42 O ATOM 334 CB ARG A 23 24.205 -9.793 -28.132 1.00 42.34 C ATOM 335 CG ARG A 23 25.014 -10.484 -29.217 1.00 24.01 C ATOM 336 CD ARG A 23 25.377 -9.524 -30.340 1.00 73.43 C ATOM 337 NE ARG A 23 25.736 -10.229 -31.568 1.00 13.23 N ATOM 338 CZ ARG A 23 26.423 -9.673 -32.559 1.00 71.22 C ATOM 339 NH1 ARG A 23 26.824 -8.412 -32.468 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 26.710 -10.379 -33.646 1.00 52.22 N ATOM 0 H ARG A 23 23.113 -12.561 -28.235 1.00 22.13 H new ATOM 0 HA ARG A 23 22.473 -10.059 -26.888 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.958 -8.784 -28.462 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.821 -9.695 -27.238 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.924 -10.900 -28.784 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.443 -11.319 -29.622 1.00 24.01 H new ATOM 0 HD2 ARG A 23 24.535 -8.860 -30.536 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.211 -8.897 -30.025 1.00 73.43 H new ATOM 0 HE ARG A 23 25.443 -11.201 -31.670 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.605 -7.866 -31.635 1.00 41.22 H new ATOM 0 HH12 ARG A 23 27.352 -7.988 -33.231 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.403 -11.349 -33.720 1.00 52.22 H new ATOM 0 HH22 ARG A 23 27.238 -9.952 -34.407 1.00 52.22 H new ATOM 354 N TRP A 24 20.685 -10.052 -28.598 1.00 71.11 N ATOM 355 CA TRP A 24 19.639 -9.920 -29.606 1.00 14.11 C ATOM 356 C TRP A 24 19.218 -8.463 -29.764 1.00 74.11 C ATOM 357 O TRP A 24 18.968 -7.769 -28.778 1.00 40.02 O ATOM 358 CB TRP A 24 18.429 -10.776 -29.231 1.00 23.53 C ATOM 359 CG TRP A 24 17.245 -10.555 -30.122 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.210 -9.689 -29.912 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.973 -11.213 -31.364 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.312 -9.768 -30.949 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.757 -10.695 -31.853 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.639 -12.187 -32.113 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.196 -11.121 -33.054 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.080 -12.609 -33.304 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.869 -12.076 -33.766 1.00 42.54 C ATOM 0 H TRP A 24 20.385 -9.833 -27.648 1.00 71.11 H new ATOM 0 HA TRP A 24 20.040 -10.269 -30.558 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.712 -11.828 -29.269 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.145 -10.559 -28.201 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.112 -9.038 -29.056 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.453 -9.224 -31.032 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.574 -12.602 -31.767 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.262 -10.712 -33.411 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.585 -13.363 -33.889 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.459 -12.426 -34.702 1.00 42.54 H new ATOM 378 N SER A 25 19.139 -8.006 -31.009 1.00 14.13 N ATOM 379 CA SER A 25 18.751 -6.630 -31.296 1.00 42.24 C ATOM 380 C SER A 25 17.661 -6.584 -32.363 1.00 64.44 C ATOM 381 O SER A 25 17.916 -6.849 -33.537 1.00 51.21 O ATOM 382 CB SER A 25 19.965 -5.820 -31.755 1.00 73.05 C ATOM 383 OG SER A 25 20.491 -6.333 -32.966 1.00 65.11 O ATOM 0 H SER A 25 19.339 -8.569 -31.836 1.00 14.13 H new ATOM 0 HA SER A 25 18.357 -6.191 -30.379 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.680 -4.777 -31.892 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.734 -5.842 -30.983 1.00 73.05 H new ATOM 0 HG SER A 25 19.769 -6.738 -33.490 1.00 65.11 H new ATOM 389 N GLU A 26 16.446 -6.244 -31.944 1.00 53.54 N ATOM 390 CA GLU A 26 15.317 -6.164 -32.864 1.00 53.15 C ATOM 391 C GLU A 26 14.343 -5.070 -32.435 1.00 73.25 C ATOM 392 O GLU A 26 14.200 -4.052 -33.109 1.00 53.42 O ATOM 393 CB GLU A 26 14.592 -7.510 -32.935 1.00 25.03 C ATOM 394 CG GLU A 26 13.664 -7.639 -34.131 1.00 61.21 C ATOM 395 CD GLU A 26 14.415 -7.684 -35.449 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.520 -8.264 -35.483 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 13.895 -7.140 -36.445 1.00 31.44 O ATOM 0 H GLU A 26 16.218 -6.020 -30.975 1.00 53.54 H new ATOM 0 HA GLU A 26 15.703 -5.915 -33.853 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.331 -8.310 -32.972 1.00 25.03 H new ATOM 0 HB3 GLU A 26 14.015 -7.651 -32.021 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.066 -8.544 -34.026 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.970 -6.798 -34.141 1.00 61.21 H new ATOM 404 N GLY A 27 13.673 -5.292 -31.307 1.00 44.43 N ATOM 405 CA GLY A 27 12.720 -4.317 -30.808 1.00 31.34 C ATOM 406 C GLY A 27 11.348 -4.917 -30.574 1.00 63.32 C ATOM 407 O GLY A 27 10.331 -4.298 -30.886 1.00 61.55 O ATOM 0 H GLY A 27 13.773 -6.128 -30.731 1.00 44.43 H new ATOM 0 HA2 GLY A 27 13.092 -3.894 -29.875 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.638 -3.496 -31.520 1.00 31.34 H new ATOM 411 N GLY A 28 11.318 -6.127 -30.023 1.00 21.34 N ATOM 412 CA GLY A 28 10.055 -6.790 -29.759 1.00 62.33 C ATOM 413 C GLY A 28 9.474 -6.416 -28.411 1.00 50.05 C ATOM 414 O GLY A 28 9.876 -5.420 -27.807 1.00 23.31 O ATOM 0 H GLY A 28 12.146 -6.659 -29.755 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.342 -6.532 -30.542 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.199 -7.870 -29.802 1.00 62.33 H new ATOM 418 N LYS A 29 8.524 -7.214 -27.935 1.00 15.42 N ATOM 419 CA LYS A 29 7.885 -6.961 -26.648 1.00 45.44 C ATOM 420 C LYS A 29 8.503 -7.828 -25.555 1.00 12.10 C ATOM 421 O LYS A 29 8.660 -7.387 -24.417 1.00 63.53 O ATOM 422 CB LYS A 29 6.381 -7.231 -26.740 1.00 41.32 C ATOM 423 CG LYS A 29 5.656 -6.311 -27.705 1.00 72.44 C ATOM 424 CD LYS A 29 4.236 -6.028 -27.245 1.00 52.45 C ATOM 425 CE LYS A 29 4.192 -4.885 -26.241 1.00 71.52 C ATOM 426 NZ LYS A 29 2.850 -4.243 -26.189 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.179 -8.042 -28.421 1.00 15.42 H new ATOM 0 HA LYS A 29 8.044 -5.914 -26.390 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.224 -8.264 -27.049 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.940 -7.124 -25.749 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.204 -5.373 -27.796 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.635 -6.765 -28.696 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.616 -5.781 -28.107 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.813 -6.926 -26.795 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.453 -5.261 -25.252 1.00 71.52 H new ATOM 0 HE3 LYS A 29 4.941 -4.139 -26.507 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.862 -3.470 -25.494 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 2.611 -3.862 -27.127 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 2.138 -4.948 -25.910 1.00 53.32 H new ATOM 440 N GLU A 30 8.850 -9.061 -25.910 1.00 44.21 N ATOM 441 CA GLU A 30 9.451 -9.988 -24.958 1.00 11.54 C ATOM 442 C GLU A 30 10.370 -10.978 -25.668 1.00 2.32 C ATOM 443 O GLU A 30 10.007 -11.553 -26.694 1.00 51.51 O ATOM 444 CB GLU A 30 8.363 -10.744 -24.193 1.00 14.34 C ATOM 445 CG GLU A 30 7.636 -11.781 -25.033 1.00 21.41 C ATOM 446 CD GLU A 30 6.454 -12.394 -24.310 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.724 -11.646 -23.624 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 6.257 -13.621 -24.429 1.00 2.20 O ATOM 0 H GLU A 30 8.726 -9.441 -26.848 1.00 44.21 H new ATOM 0 HA GLU A 30 10.046 -9.409 -24.252 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.813 -11.237 -23.331 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.637 -10.028 -23.807 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.291 -11.317 -25.957 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.334 -12.570 -25.314 1.00 21.41 H new ATOM 455 N VAL A 31 11.563 -11.170 -25.115 1.00 1.21 N ATOM 456 CA VAL A 31 12.535 -12.090 -25.694 1.00 20.01 C ATOM 457 C VAL A 31 12.903 -13.193 -24.708 1.00 24.24 C ATOM 458 O VAL A 31 13.091 -12.940 -23.517 1.00 60.13 O ATOM 459 CB VAL A 31 13.817 -11.353 -26.124 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.778 -12.311 -26.812 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.479 -10.182 -27.033 1.00 53.33 C ATOM 0 H VAL A 31 11.880 -10.701 -24.267 1.00 1.21 H new ATOM 0 HA VAL A 31 12.067 -12.534 -26.573 1.00 20.01 H new ATOM 0 HB VAL A 31 14.307 -10.962 -25.232 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.678 -11.773 -27.109 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.045 -13.114 -26.125 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.300 -12.734 -27.696 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.397 -9.673 -27.327 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.966 -10.548 -27.922 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.831 -9.484 -26.502 1.00 53.33 H new ATOM 471 N PHE A 32 13.005 -14.419 -25.212 1.00 63.42 N ATOM 472 CA PHE A 32 13.349 -15.562 -24.374 1.00 64.12 C ATOM 473 C PHE A 32 14.334 -16.483 -25.090 1.00 21.54 C ATOM 474 O PHE A 32 14.344 -16.561 -26.320 1.00 42.43 O ATOM 475 CB PHE A 32 12.089 -16.342 -23.995 1.00 75.51 C ATOM 476 CG PHE A 32 11.182 -15.597 -23.058 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.387 -15.645 -21.690 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.124 -14.846 -23.548 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.554 -14.960 -20.825 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.288 -14.159 -22.688 1.00 3.23 C ATOM 481 CZ PHE A 32 9.503 -14.217 -21.325 1.00 24.12 C ATOM 0 H PHE A 32 12.855 -14.646 -26.195 1.00 63.42 H new ATOM 0 HA PHE A 32 13.822 -15.186 -23.467 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.537 -16.589 -24.902 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.380 -17.285 -23.533 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.208 -16.225 -21.294 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.951 -14.797 -24.613 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.725 -15.006 -19.760 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.467 -13.577 -23.082 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.850 -13.682 -20.651 1.00 24.12 H new ATOM 491 N ILE A 33 15.160 -17.174 -24.313 1.00 13.35 N ATOM 492 CA ILE A 33 16.147 -18.089 -24.872 1.00 22.33 C ATOM 493 C ILE A 33 15.983 -19.493 -24.300 1.00 62.43 C ATOM 494 O ILE A 33 15.672 -19.662 -23.121 1.00 63.03 O ATOM 495 CB ILE A 33 17.583 -17.602 -24.600 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.593 -18.497 -25.320 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.860 -17.579 -23.105 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.034 -18.157 -25.006 1.00 22.31 C ATOM 0 H ILE A 33 15.166 -17.118 -23.295 1.00 13.35 H new ATOM 0 HA ILE A 33 15.977 -18.116 -25.948 1.00 22.33 H new ATOM 0 HB ILE A 33 17.686 -16.587 -24.985 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.405 -19.535 -25.047 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.435 -18.417 -26.396 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.878 -17.233 -22.929 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.158 -16.905 -22.615 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.743 -18.583 -22.698 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.694 -18.832 -25.551 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.239 -17.129 -25.305 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.208 -18.265 -23.935 1.00 22.31 H new ATOM 510 N SER A 34 16.193 -20.498 -25.144 1.00 25.03 N ATOM 511 CA SER A 34 16.065 -21.889 -24.724 1.00 60.30 C ATOM 512 C SER A 34 16.991 -22.789 -25.536 1.00 10.42 C ATOM 513 O SER A 34 17.135 -22.620 -26.746 1.00 43.22 O ATOM 514 CB SER A 34 14.617 -22.359 -24.875 1.00 31.12 C ATOM 515 OG SER A 34 14.396 -23.566 -24.167 1.00 65.53 O ATOM 0 H SER A 34 16.453 -20.375 -26.123 1.00 25.03 H new ATOM 0 HA SER A 34 16.352 -21.953 -23.675 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.941 -21.588 -24.506 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.387 -22.506 -25.930 1.00 31.12 H new ATOM 0 HG SER A 34 14.095 -23.361 -23.257 1.00 65.53 H new ATOM 521 N GLY A 35 17.618 -23.747 -24.860 1.00 50.42 N ATOM 522 CA GLY A 35 18.523 -24.661 -25.534 1.00 51.10 C ATOM 523 C GLY A 35 18.566 -26.025 -24.875 1.00 32.54 C ATOM 524 O GLY A 35 17.697 -26.361 -24.072 1.00 42.30 O ATOM 0 H GLY A 35 17.516 -23.907 -23.858 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.214 -24.773 -26.573 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.526 -24.234 -25.543 1.00 51.10 H new ATOM 528 N SER A 36 19.580 -26.814 -25.218 1.00 50.42 N ATOM 529 CA SER A 36 19.728 -28.152 -24.659 1.00 60.21 C ATOM 530 C SER A 36 20.186 -28.085 -23.205 1.00 34.32 C ATOM 531 O SER A 36 20.067 -29.057 -22.458 1.00 45.21 O ATOM 532 CB SER A 36 20.730 -28.963 -25.483 1.00 64.21 C ATOM 533 OG SER A 36 22.061 -28.557 -25.213 1.00 43.11 O ATOM 0 H SER A 36 20.310 -26.550 -25.880 1.00 50.42 H new ATOM 0 HA SER A 36 18.756 -28.644 -24.694 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.617 -30.023 -25.257 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.517 -28.839 -26.545 1.00 64.21 H new ATOM 0 HG SER A 36 22.682 -29.092 -25.751 1.00 43.11 H new ATOM 539 N PHE A 37 20.710 -26.930 -22.808 1.00 5.12 N ATOM 540 CA PHE A 37 21.187 -26.734 -21.444 1.00 1.32 C ATOM 541 C PHE A 37 20.046 -26.885 -20.442 1.00 52.10 C ATOM 542 O PHE A 37 20.274 -27.075 -19.248 1.00 24.42 O ATOM 543 CB PHE A 37 21.830 -25.354 -21.299 1.00 52.43 C ATOM 544 CG PHE A 37 20.924 -24.225 -21.702 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.981 -23.726 -20.818 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.015 -23.665 -22.966 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.146 -22.687 -21.187 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.184 -22.626 -23.339 1.00 24.25 C ATOM 549 CZ PHE A 37 19.248 -22.137 -22.449 1.00 63.21 C ATOM 0 H PHE A 37 20.815 -26.115 -23.412 1.00 5.12 H new ATOM 0 HA PHE A 37 21.935 -27.499 -21.234 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.136 -25.212 -20.263 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.735 -25.318 -21.906 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.897 -24.153 -19.830 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.743 -24.045 -23.667 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.415 -22.307 -20.489 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.266 -22.196 -24.326 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.597 -21.326 -22.740 1.00 63.21 H new ATOM 559 N ASN A 38 18.816 -26.795 -20.938 1.00 73.11 N ATOM 560 CA ASN A 38 17.638 -26.920 -20.087 1.00 10.42 C ATOM 561 C ASN A 38 16.663 -27.947 -20.655 1.00 21.43 C ATOM 562 O ASN A 38 15.514 -28.033 -20.222 1.00 31.21 O ATOM 563 CB ASN A 38 16.942 -25.566 -19.943 1.00 72.03 C ATOM 564 CG ASN A 38 16.009 -25.267 -21.102 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.827 -25.609 -21.066 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.539 -24.627 -22.137 1.00 44.21 N ATOM 0 H ASN A 38 18.609 -26.636 -21.924 1.00 73.11 H new ATOM 0 HA ASN A 38 17.965 -27.260 -19.104 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.376 -25.549 -19.011 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.694 -24.780 -19.874 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.961 -24.399 -22.946 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.524 -24.363 -22.123 1.00 44.21 H new ATOM 573 N ASN A 39 17.130 -28.725 -21.627 1.00 32.24 N ATOM 574 CA ASN A 39 16.299 -29.746 -22.254 1.00 20.50 C ATOM 575 C ASN A 39 15.113 -29.116 -22.975 1.00 23.03 C ATOM 576 O ASN A 39 14.105 -29.775 -23.229 1.00 14.24 O ATOM 577 CB ASN A 39 15.802 -30.743 -21.205 1.00 75.11 C ATOM 578 CG ASN A 39 15.522 -32.112 -21.796 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.782 -32.357 -22.974 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.987 -33.010 -20.977 1.00 64.12 N ATOM 0 H ASN A 39 18.079 -28.668 -21.997 1.00 32.24 H new ATOM 0 HA ASN A 39 16.908 -30.274 -22.988 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.547 -30.837 -20.415 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.894 -30.357 -20.742 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.775 -33.948 -21.317 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.789 -32.762 -20.008 1.00 64.12 H new ATOM 587 N TRP A 40 15.240 -27.834 -23.304 1.00 1.42 N ATOM 588 CA TRP A 40 14.179 -27.115 -23.997 1.00 70.44 C ATOM 589 C TRP A 40 12.846 -27.282 -23.275 1.00 14.41 C ATOM 590 O TRP A 40 11.790 -27.342 -23.906 1.00 75.11 O ATOM 591 CB TRP A 40 14.056 -27.608 -25.439 1.00 13.40 C ATOM 592 CG TRP A 40 15.361 -27.617 -26.176 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.378 -28.516 -26.031 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.789 -26.681 -27.172 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.413 -28.197 -26.876 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.077 -27.075 -27.588 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.210 -25.551 -27.754 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.792 -26.377 -28.557 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.922 -24.859 -28.716 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.200 -25.274 -29.110 1.00 62.54 C ATOM 0 H TRP A 40 16.067 -27.273 -23.101 1.00 1.42 H new ATOM 0 HA TRP A 40 14.438 -26.056 -24.004 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.641 -28.616 -25.437 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.349 -26.973 -25.974 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.370 -29.355 -25.351 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.290 -28.712 -26.960 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.224 -25.224 -27.458 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.778 -26.694 -28.861 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.485 -23.983 -29.172 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.729 -24.712 -29.866 1.00 62.54 H new ATOM 611 N SER A 41 12.901 -27.355 -21.949 1.00 25.55 N ATOM 612 CA SER A 41 11.698 -27.519 -21.142 1.00 24.31 C ATOM 613 C SER A 41 11.402 -26.252 -20.344 1.00 73.12 C ATOM 614 O SER A 41 10.589 -26.262 -19.419 1.00 72.53 O ATOM 615 CB SER A 41 11.853 -28.709 -20.192 1.00 23.43 C ATOM 616 OG SER A 41 10.597 -29.298 -19.903 1.00 55.35 O ATOM 0 H SER A 41 13.766 -27.303 -21.411 1.00 25.55 H new ATOM 0 HA SER A 41 10.862 -27.707 -21.815 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.512 -29.452 -20.640 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.326 -28.380 -19.266 1.00 23.43 H new ATOM 0 HG SER A 41 10.723 -30.057 -19.296 1.00 55.35 H new ATOM 622 N THR A 42 12.068 -25.162 -20.709 1.00 74.23 N ATOM 623 CA THR A 42 11.880 -23.886 -20.029 1.00 14.13 C ATOM 624 C THR A 42 12.485 -22.741 -20.829 1.00 20.24 C ATOM 625 O THR A 42 13.506 -22.908 -21.498 1.00 53.41 O ATOM 626 CB THR A 42 12.507 -23.903 -18.622 1.00 54.43 C ATOM 627 OG1 THR A 42 12.269 -22.652 -17.965 1.00 52.32 O ATOM 628 CG2 THR A 42 14.004 -24.164 -18.700 1.00 23.45 C ATOM 0 H THR A 42 12.744 -25.137 -21.473 1.00 74.23 H new ATOM 0 HA THR A 42 10.805 -23.732 -19.938 1.00 14.13 H new ATOM 0 HB THR A 42 12.043 -24.707 -18.051 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.669 -22.671 -17.071 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.425 -24.171 -17.695 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.181 -25.129 -19.175 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.480 -23.379 -19.287 1.00 23.45 H new ATOM 636 N LYS A 43 11.852 -21.575 -20.759 1.00 1.11 N ATOM 637 CA LYS A 43 12.328 -20.399 -21.476 1.00 64.11 C ATOM 638 C LYS A 43 13.020 -19.426 -20.525 1.00 3.12 C ATOM 639 O LYS A 43 12.410 -18.932 -19.576 1.00 72.24 O ATOM 640 CB LYS A 43 11.165 -19.699 -22.181 1.00 65.14 C ATOM 641 CG LYS A 43 10.808 -20.315 -23.522 1.00 42.20 C ATOM 642 CD LYS A 43 10.287 -19.271 -24.496 1.00 2.13 C ATOM 643 CE LYS A 43 9.227 -19.849 -25.420 1.00 63.12 C ATOM 644 NZ LYS A 43 7.961 -19.070 -25.369 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.006 -21.419 -20.211 1.00 1.11 H new ATOM 0 HA LYS A 43 13.051 -20.728 -22.222 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.289 -19.726 -21.533 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.419 -18.649 -22.329 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.687 -20.802 -23.945 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.053 -21.088 -23.379 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.868 -18.431 -23.941 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.114 -18.881 -25.089 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.605 -19.861 -26.442 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.028 -20.884 -25.141 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.178 -19.656 -25.724 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.765 -18.790 -24.387 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.053 -18.219 -25.960 1.00 4.54 H new ATOM 658 N ILE A 44 14.293 -19.153 -20.789 1.00 22.14 N ATOM 659 CA ILE A 44 15.065 -18.236 -19.959 1.00 54.22 C ATOM 660 C ILE A 44 14.816 -16.788 -20.362 1.00 22.01 C ATOM 661 O ILE A 44 14.853 -16.429 -21.539 1.00 31.33 O ATOM 662 CB ILE A 44 16.574 -18.531 -20.049 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.944 -19.698 -19.132 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.378 -17.291 -19.688 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.351 -21.020 -19.567 1.00 62.32 C ATOM 0 H ILE A 44 14.812 -19.553 -21.571 1.00 22.14 H new ATOM 0 HA ILE A 44 14.735 -18.386 -18.931 1.00 54.22 H new ATOM 0 HB ILE A 44 16.814 -18.810 -21.075 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.029 -19.791 -19.095 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.609 -19.474 -18.119 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.443 -17.515 -19.756 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.132 -16.484 -20.378 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.136 -16.984 -18.670 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.655 -21.802 -18.871 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.264 -20.945 -19.577 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.707 -21.267 -20.567 1.00 62.32 H new ATOM 677 N PRO A 45 14.559 -15.931 -19.361 1.00 72.14 N ATOM 678 CA PRO A 45 14.300 -14.506 -19.587 1.00 74.30 C ATOM 679 C PRO A 45 15.549 -13.756 -20.038 1.00 3.41 C ATOM 680 O PRO A 45 16.642 -13.976 -19.514 1.00 31.12 O ATOM 681 CB PRO A 45 13.844 -14.007 -18.214 1.00 2.44 C ATOM 682 CG PRO A 45 14.459 -14.955 -17.242 1.00 44.21 C ATOM 683 CD PRO A 45 14.499 -16.289 -17.935 1.00 20.33 C ATOM 0 HA PRO A 45 13.569 -14.344 -20.379 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.176 -12.985 -18.034 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.757 -14.008 -18.134 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.461 -14.631 -16.961 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.873 -15.009 -16.325 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.367 -16.874 -17.631 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.616 -16.887 -17.708 1.00 20.33 H new ATOM 691 N LEU A 46 15.380 -12.868 -21.012 1.00 64.14 N ATOM 692 CA LEU A 46 16.493 -12.084 -21.534 1.00 65.52 C ATOM 693 C LEU A 46 16.553 -10.712 -20.869 1.00 32.13 C ATOM 694 O LEU A 46 15.689 -9.864 -21.094 1.00 65.14 O ATOM 695 CB LEU A 46 16.363 -11.922 -23.050 1.00 61.33 C ATOM 696 CG LEU A 46 17.407 -12.654 -23.895 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.000 -14.104 -24.108 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.600 -11.950 -25.230 1.00 72.32 C ATOM 0 H LEU A 46 14.483 -12.673 -21.456 1.00 64.14 H new ATOM 0 HA LEU A 46 17.417 -12.618 -21.309 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.374 -12.270 -23.349 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.413 -10.859 -23.287 1.00 61.33 H new ATOM 0 HG LEU A 46 18.356 -12.640 -23.359 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.755 -14.609 -24.711 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.913 -14.603 -23.143 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.040 -14.141 -24.623 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.346 -12.484 -25.818 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.655 -11.933 -25.772 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.938 -10.928 -25.057 1.00 72.32 H new ATOM 710 N ILE A 47 17.578 -10.502 -20.050 1.00 14.12 N ATOM 711 CA ILE A 47 17.751 -9.233 -19.355 1.00 74.30 C ATOM 712 C ILE A 47 17.677 -8.059 -20.326 1.00 14.44 C ATOM 713 O ILE A 47 18.590 -7.837 -21.120 1.00 31.41 O ATOM 714 CB ILE A 47 19.096 -9.180 -18.606 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.194 -10.336 -17.608 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.255 -7.845 -17.895 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.080 -10.346 -16.584 1.00 44.14 C ATOM 0 H ILE A 47 18.301 -11.194 -19.852 1.00 14.12 H new ATOM 0 HA ILE A 47 16.938 -9.156 -18.633 1.00 74.30 H new ATOM 0 HB ILE A 47 19.903 -9.281 -19.332 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.183 -11.279 -18.154 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.152 -10.279 -17.091 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.210 -7.824 -17.371 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.224 -7.037 -18.626 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.444 -7.716 -17.178 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.213 -11.192 -15.910 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.103 -9.419 -16.012 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.120 -10.435 -17.092 1.00 44.14 H new ATOM 729 N LYS A 48 16.582 -7.309 -20.255 1.00 15.21 N ATOM 730 CA LYS A 48 16.388 -6.155 -21.125 1.00 3.13 C ATOM 731 C LYS A 48 17.352 -5.030 -20.761 1.00 43.44 C ATOM 732 O LYS A 48 17.300 -4.488 -19.658 1.00 42.12 O ATOM 733 CB LYS A 48 14.945 -5.654 -21.030 1.00 15.03 C ATOM 734 CG LYS A 48 14.299 -5.398 -22.380 1.00 21.42 C ATOM 735 CD LYS A 48 12.811 -5.701 -22.353 1.00 24.00 C ATOM 736 CE LYS A 48 12.549 -7.191 -22.197 1.00 64.10 C ATOM 737 NZ LYS A 48 11.213 -7.578 -22.731 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.816 -7.480 -19.604 1.00 15.21 H new ATOM 0 HA LYS A 48 16.591 -6.467 -22.149 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.350 -6.387 -20.485 1.00 15.03 H new ATOM 0 HB3 LYS A 48 14.927 -4.733 -20.448 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.454 -4.358 -22.667 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.783 -6.014 -23.138 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.343 -5.160 -21.530 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.349 -5.344 -23.273 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.325 -7.753 -22.717 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.612 -7.462 -21.143 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.037 -8.583 -22.530 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 10.477 -7.000 -22.277 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 11.191 -7.421 -23.759 1.00 1.32 H new ATOM 751 N SER A 49 18.232 -4.684 -21.697 1.00 43.44 N ATOM 752 CA SER A 49 19.209 -3.626 -21.473 1.00 72.14 C ATOM 753 C SER A 49 18.824 -2.361 -22.233 1.00 60.13 C ATOM 754 O SER A 49 17.960 -2.389 -23.111 1.00 5.42 O ATOM 755 CB SER A 49 20.602 -4.090 -21.904 1.00 41.12 C ATOM 756 OG SER A 49 21.608 -3.495 -21.102 1.00 21.32 O ATOM 0 H SER A 49 18.287 -5.121 -22.617 1.00 43.44 H new ATOM 0 HA SER A 49 19.223 -3.398 -20.407 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.667 -5.175 -21.829 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.767 -3.833 -22.950 1.00 41.12 H new ATOM 0 HG SER A 49 22.489 -3.809 -21.396 1.00 21.32 H new ATOM 762 N HIS A 50 19.470 -1.252 -21.891 1.00 41.43 N ATOM 763 CA HIS A 50 19.196 0.025 -22.541 1.00 30.33 C ATOM 764 C HIS A 50 19.645 -0.002 -23.999 1.00 5.15 C ATOM 765 O HIS A 50 19.182 0.795 -24.816 1.00 32.14 O ATOM 766 CB HIS A 50 19.902 1.161 -21.799 1.00 41.03 C ATOM 767 CG HIS A 50 19.091 1.739 -20.680 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.335 2.985 -20.141 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.036 1.234 -19.999 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.464 3.221 -19.175 1.00 0.03 C ATOM 771 NE2 HIS A 50 17.664 2.175 -19.070 1.00 34.54 N ATOM 0 H HIS A 50 20.187 -1.211 -21.167 1.00 41.43 H new ATOM 0 HA HIS A 50 18.120 0.196 -22.513 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.846 0.792 -21.399 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.144 1.953 -22.508 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.573 0.271 -20.157 1.00 70.45 H new ATOM 0 HE1 HIS A 50 18.415 4.117 -18.574 1.00 0.03 H new ATOM 0 HE2 HIS A 50 16.895 2.081 -18.407 1.00 34.54 H new ATOM 779 N ASN A 51 20.549 -0.921 -24.320 1.00 15.24 N ATOM 780 CA ASN A 51 21.061 -1.049 -25.679 1.00 64.25 C ATOM 781 C ASN A 51 20.320 -2.148 -26.437 1.00 63.54 C ATOM 782 O ASN A 51 19.734 -1.900 -27.491 1.00 35.54 O ATOM 783 CB ASN A 51 22.560 -1.353 -25.656 1.00 63.32 C ATOM 784 CG ASN A 51 23.400 -0.105 -25.459 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.049 0.774 -24.672 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.514 -0.024 -26.175 1.00 71.10 N ATOM 0 H ASN A 51 20.942 -1.589 -23.657 1.00 15.24 H new ATOM 0 HA ASN A 51 20.897 -0.102 -26.193 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.772 -2.061 -24.855 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.845 -1.835 -26.591 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.120 0.792 -26.085 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.765 -0.778 -26.815 1.00 71.10 H new ATOM 793 N ASP A 52 20.351 -3.358 -25.893 1.00 2.33 N ATOM 794 CA ASP A 52 19.681 -4.494 -26.516 1.00 51.51 C ATOM 795 C ASP A 52 19.412 -5.595 -25.495 1.00 40.41 C ATOM 796 O ASP A 52 19.686 -5.432 -24.306 1.00 50.31 O ATOM 797 CB ASP A 52 20.526 -5.044 -27.666 1.00 20.42 C ATOM 798 CG ASP A 52 20.410 -4.204 -28.923 1.00 4.32 C ATOM 799 OD1 ASP A 52 19.268 -3.889 -29.323 1.00 62.31 O ATOM 800 OD2 ASP A 52 21.458 -3.863 -29.508 1.00 62.02 O1- ATOM 0 H ASP A 52 20.833 -3.579 -25.022 1.00 2.33 H new ATOM 0 HA ASP A 52 18.725 -4.148 -26.910 1.00 51.51 H new ATOM 0 HB2 ASP A 52 21.570 -5.088 -27.357 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.215 -6.066 -27.885 1.00 20.42 H new ATOM 805 N PHE A 53 18.875 -6.715 -25.966 1.00 23.22 N ATOM 806 CA PHE A 53 18.567 -7.841 -25.094 1.00 74.32 C ATOM 807 C PHE A 53 19.791 -8.734 -24.906 1.00 74.52 C ATOM 808 O PHE A 53 20.617 -8.871 -25.808 1.00 63.11 O ATOM 809 CB PHE A 53 17.410 -8.659 -25.671 1.00 20.02 C ATOM 810 CG PHE A 53 16.196 -7.835 -25.993 1.00 51.11 C ATOM 811 CD1 PHE A 53 16.118 -7.129 -27.183 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.133 -7.766 -25.107 1.00 71.15 C ATOM 813 CE1 PHE A 53 15.003 -6.369 -27.482 1.00 25.13 C ATOM 814 CE2 PHE A 53 14.015 -7.008 -25.401 1.00 34.33 C ATOM 815 CZ PHE A 53 13.950 -6.309 -26.591 1.00 23.43 C ATOM 0 H PHE A 53 18.644 -6.867 -26.948 1.00 23.22 H new ATOM 0 HA PHE A 53 18.274 -7.445 -24.122 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.748 -9.163 -26.576 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.134 -9.436 -24.958 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.938 -7.173 -27.885 1.00 41.23 H new ATOM 0 HD2 PHE A 53 15.178 -8.311 -24.176 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.955 -5.822 -28.412 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.193 -6.962 -24.701 1.00 34.33 H new ATOM 0 HZ PHE A 53 13.077 -5.717 -26.824 1.00 23.43 H new ATOM 825 N VAL A 54 19.899 -9.339 -23.728 1.00 60.01 N ATOM 826 CA VAL A 54 21.020 -10.219 -23.420 1.00 21.43 C ATOM 827 C VAL A 54 20.610 -11.309 -22.436 1.00 43.31 C ATOM 828 O VAL A 54 19.824 -11.068 -21.520 1.00 73.14 O ATOM 829 CB VAL A 54 22.207 -9.431 -22.832 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.349 -10.372 -22.480 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.669 -8.359 -23.807 1.00 4.03 C ATOM 0 H VAL A 54 19.224 -9.236 -22.971 1.00 60.01 H new ATOM 0 HA VAL A 54 21.328 -10.679 -24.359 1.00 21.43 H new ATOM 0 HB VAL A 54 21.878 -8.939 -21.917 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.179 -9.799 -22.066 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.007 -11.099 -21.743 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.681 -10.894 -23.378 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.508 -7.812 -23.376 1.00 4.03 H new ATOM 0 HG22 VAL A 54 22.982 -8.827 -24.740 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.849 -7.669 -24.004 1.00 4.03 H new ATOM 841 N ALA A 55 21.148 -12.508 -22.633 1.00 4.51 N ATOM 842 CA ALA A 55 20.840 -13.635 -21.760 1.00 54.01 C ATOM 843 C ALA A 55 22.070 -14.071 -20.972 1.00 32.03 C ATOM 844 O ALA A 55 23.194 -13.999 -21.469 1.00 42.01 O ATOM 845 CB ALA A 55 20.292 -14.798 -22.575 1.00 40.42 C ATOM 0 H ALA A 55 21.799 -12.724 -23.388 1.00 4.51 H new ATOM 0 HA ALA A 55 20.080 -13.315 -21.047 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.066 -15.633 -21.911 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.382 -14.486 -23.088 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.035 -15.109 -23.310 1.00 40.42 H new ATOM 851 N ILE A 56 21.849 -14.523 -19.742 1.00 34.40 N ATOM 852 CA ILE A 56 22.940 -14.972 -18.886 1.00 21.40 C ATOM 853 C ILE A 56 22.560 -16.240 -18.129 1.00 72.24 C ATOM 854 O ILE A 56 21.588 -16.257 -17.373 1.00 72.43 O ATOM 855 CB ILE A 56 23.344 -13.885 -17.873 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.697 -12.585 -18.600 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.516 -14.359 -17.026 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.912 -12.702 -19.492 1.00 74.44 C ATOM 0 H ILE A 56 20.924 -14.588 -19.316 1.00 34.40 H new ATOM 0 HA ILE A 56 23.787 -15.182 -19.539 1.00 21.40 H new ATOM 0 HB ILE A 56 22.498 -13.692 -17.213 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.844 -12.271 -19.201 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.872 -11.802 -17.862 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.790 -13.580 -16.315 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.232 -15.261 -16.484 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.367 -14.576 -17.671 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.103 -11.743 -19.975 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.777 -12.985 -18.893 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.733 -13.462 -20.253 1.00 74.44 H new ATOM 870 N LEU A 57 23.334 -17.300 -18.337 1.00 23.15 N ATOM 871 CA LEU A 57 23.079 -18.573 -17.672 1.00 22.42 C ATOM 872 C LEU A 57 24.367 -19.381 -17.533 1.00 52.54 C ATOM 873 O LEU A 57 25.146 -19.492 -18.479 1.00 60.35 O ATOM 874 CB LEU A 57 22.040 -19.380 -18.453 1.00 74.01 C ATOM 875 CG LEU A 57 22.017 -19.159 -19.966 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.533 -20.411 -20.681 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.138 -17.969 -20.318 1.00 20.50 C ATOM 0 H LEU A 57 24.142 -17.303 -18.960 1.00 23.15 H new ATOM 0 HA LEU A 57 22.692 -18.363 -16.675 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.214 -20.439 -18.263 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.053 -19.144 -18.056 1.00 74.01 H new ATOM 0 HG LEU A 57 23.033 -18.945 -20.298 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.523 -20.235 -21.757 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.203 -21.241 -20.455 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.526 -20.656 -20.344 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.134 -17.827 -21.399 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.121 -18.153 -19.972 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.529 -17.073 -19.836 1.00 20.50 H new ATOM 889 N ASP A 58 24.580 -19.945 -16.349 1.00 34.22 N ATOM 890 CA ASP A 58 25.769 -20.744 -16.087 1.00 0.11 C ATOM 891 C ASP A 58 25.689 -22.090 -16.801 1.00 63.43 C ATOM 892 O ASP A 58 24.944 -22.980 -16.390 1.00 41.24 O ATOM 893 CB ASP A 58 25.943 -20.962 -14.582 1.00 24.31 C ATOM 894 CG ASP A 58 25.820 -19.674 -13.793 1.00 42.33 C ATOM 895 OD1 ASP A 58 26.114 -18.600 -14.360 1.00 2.41 O ATOM 896 OD2 ASP A 58 25.430 -19.738 -12.608 1.00 22.34 O1- ATOM 0 H ASP A 58 23.944 -19.863 -15.556 1.00 34.22 H new ATOM 0 HA ASP A 58 26.632 -20.200 -16.470 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.194 -21.672 -14.232 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.919 -21.409 -14.393 1.00 24.31 H new ATOM 901 N LEU A 59 26.459 -22.230 -17.875 1.00 33.22 N ATOM 902 CA LEU A 59 26.474 -23.467 -18.649 1.00 60.20 C ATOM 903 C LEU A 59 27.830 -24.158 -18.543 1.00 1.03 C ATOM 904 O LEU A 59 28.864 -23.524 -18.335 1.00 70.11 O ATOM 905 CB LEU A 59 26.150 -23.178 -20.115 1.00 32.04 C ATOM 906 CG LEU A 59 24.942 -22.275 -20.370 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.919 -21.809 -21.817 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.651 -23.003 -20.021 1.00 1.32 C ATOM 0 H LEU A 59 27.081 -21.503 -18.229 1.00 33.22 H new ATOM 0 HA LEU A 59 25.714 -24.133 -18.240 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.025 -22.720 -20.576 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.982 -24.128 -20.623 1.00 32.04 H new ATOM 0 HG LEU A 59 25.026 -21.397 -19.730 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.053 -21.168 -21.979 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.829 -21.250 -22.034 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.858 -22.674 -22.477 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.801 -22.347 -20.208 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.560 -23.898 -20.636 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.666 -23.286 -18.968 1.00 1.32 H new ATOM 920 N PRO A 60 27.827 -25.492 -18.693 1.00 53.42 N ATOM 921 CA PRO A 60 29.049 -26.298 -18.622 1.00 72.32 C ATOM 922 C PRO A 60 29.967 -26.067 -19.817 1.00 43.23 C ATOM 923 O PRO A 60 29.503 -25.804 -20.926 1.00 43.11 O ATOM 924 CB PRO A 60 28.525 -27.736 -18.620 1.00 45.22 C ATOM 925 CG PRO A 60 27.202 -27.658 -19.302 1.00 34.34 C ATOM 926 CD PRO A 60 26.632 -26.313 -18.945 1.00 31.23 C ATOM 0 HA PRO A 60 29.652 -26.048 -17.749 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.204 -28.405 -19.148 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.425 -28.120 -17.605 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.313 -27.761 -20.381 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.544 -28.461 -18.971 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.028 -25.905 -19.755 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.990 -26.369 -18.066 1.00 31.23 H new ATOM 934 N GLU A 61 31.272 -26.168 -19.583 1.00 34.34 N ATOM 935 CA GLU A 61 32.254 -25.969 -20.643 1.00 51.40 C ATOM 936 C GLU A 61 32.067 -26.993 -21.758 1.00 71.00 C ATOM 937 O GLU A 61 32.335 -28.181 -21.578 1.00 52.22 O ATOM 938 CB GLU A 61 33.673 -26.068 -20.077 1.00 14.52 C ATOM 939 CG GLU A 61 34.756 -26.050 -21.143 1.00 12.24 C ATOM 940 CD GLU A 61 35.211 -27.443 -21.538 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.253 -28.325 -20.655 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.524 -27.649 -22.729 1.00 62.21 O ATOM 0 H GLU A 61 31.673 -26.386 -18.671 1.00 34.34 H new ATOM 0 HA GLU A 61 32.104 -24.973 -21.060 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.839 -25.240 -19.388 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.761 -26.987 -19.497 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.383 -25.530 -22.025 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.612 -25.483 -20.777 1.00 12.24 H new ATOM 949 N GLY A 62 31.604 -26.523 -22.913 1.00 75.14 N ATOM 950 CA GLY A 62 31.387 -27.411 -24.040 1.00 3.44 C ATOM 951 C GLY A 62 30.651 -26.733 -25.179 1.00 3.40 C ATOM 952 O GLY A 62 30.942 -25.585 -25.517 1.00 30.13 O ATOM 0 H GLY A 62 31.376 -25.544 -23.088 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.348 -27.778 -24.400 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.818 -28.280 -23.710 1.00 3.44 H new ATOM 956 N GLU A 63 29.698 -27.443 -25.773 1.00 44.04 N ATOM 957 CA GLU A 63 28.921 -26.902 -26.881 1.00 31.31 C ATOM 958 C GLU A 63 27.438 -27.221 -26.714 1.00 34.40 C ATOM 959 O GLU A 63 27.102 -28.337 -26.322 1.00 55.14 O ATOM 960 CB GLU A 63 29.427 -27.466 -28.211 1.00 71.45 C ATOM 961 CG GLU A 63 28.668 -26.948 -29.421 1.00 41.01 C ATOM 962 CD GLU A 63 27.548 -27.876 -29.848 1.00 64.35 C ATOM 963 OE1 GLU A 63 27.847 -28.922 -30.460 1.00 13.32 O ATOM 964 OE2 GLU A 63 26.373 -27.556 -29.571 1.00 63.41 O1- ATOM 0 H GLU A 63 29.445 -28.394 -25.505 1.00 44.04 H new ATOM 0 HA GLU A 63 29.044 -25.819 -26.882 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.483 -27.219 -28.322 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.355 -28.553 -28.186 1.00 71.45 H new ATOM 0 HG2 GLU A 63 28.254 -25.966 -29.192 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.362 -26.816 -30.251 1.00 41.01 H new ATOM 971 N HIS A 64 26.594 -26.243 -27.009 1.00 11.42 N ATOM 972 CA HIS A 64 25.158 -26.431 -26.887 1.00 43.11 C ATOM 973 C HIS A 64 24.442 -25.648 -27.988 1.00 20.11 C ATOM 974 O HIS A 64 25.020 -24.798 -28.665 1.00 22.41 O ATOM 975 CB HIS A 64 24.679 -26.055 -25.484 1.00 0.52 C ATOM 976 CG HIS A 64 25.798 -25.801 -24.500 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.603 -24.715 -24.328 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.188 -26.732 -23.553 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.440 -24.967 -23.329 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.184 -26.218 -22.847 1.00 33.03 N flip ATOM 0 H HIS A 64 26.877 -25.318 -27.332 1.00 11.42 H new ATOM 0 HA HIS A 64 24.913 -27.484 -27.022 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.058 -25.162 -25.551 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.046 -26.856 -25.100 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.754 -27.711 -23.413 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.198 -24.293 -22.959 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.673 -26.676 -22.078 1.00 33.03 H new ATOM 988 N GLN A 65 23.160 -25.956 -28.153 1.00 1.42 N ATOM 989 CA GLN A 65 22.340 -25.297 -29.163 1.00 75.43 C ATOM 990 C GLN A 65 21.128 -24.623 -28.526 1.00 40.13 C ATOM 991 O GLN A 65 20.358 -25.260 -27.807 1.00 52.02 O ATOM 992 CB GLN A 65 21.881 -26.307 -30.216 1.00 73.02 C ATOM 993 CG GLN A 65 22.852 -26.458 -31.376 1.00 71.31 C ATOM 994 CD GLN A 65 23.092 -27.907 -31.751 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.461 -28.436 -32.668 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.007 -28.558 -31.044 1.00 53.03 N ATOM 0 H GLN A 65 22.667 -26.657 -27.601 1.00 1.42 H new ATOM 0 HA GLN A 65 22.948 -24.531 -29.645 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.742 -27.278 -29.740 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.910 -26.000 -30.603 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.464 -25.922 -32.242 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.802 -25.993 -31.113 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.506 -28.081 -30.293 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.211 -29.536 -31.251 1.00 53.03 H new ATOM 1005 N TYR A 66 20.966 -23.332 -28.794 1.00 4.15 N ATOM 1006 CA TYR A 66 19.851 -22.571 -28.245 1.00 72.34 C ATOM 1007 C TYR A 66 19.008 -21.960 -29.360 1.00 74.34 C ATOM 1008 O TYR A 66 19.310 -22.120 -30.543 1.00 1.32 O ATOM 1009 CB TYR A 66 20.365 -21.470 -27.318 1.00 10.24 C ATOM 1010 CG TYR A 66 21.167 -20.404 -28.028 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.484 -20.635 -28.406 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.609 -19.166 -28.322 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.222 -19.664 -29.056 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.338 -18.190 -28.972 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.644 -18.443 -29.337 1.00 22.23 C ATOM 1016 OH TYR A 66 23.374 -17.473 -29.983 1.00 12.33 O ATOM 0 H TYR A 66 21.594 -22.791 -29.389 1.00 4.15 H new ATOM 0 HA TYR A 66 19.224 -23.255 -27.673 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.517 -21.002 -26.819 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.983 -21.920 -26.541 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.939 -21.590 -28.188 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.587 -18.964 -28.037 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.245 -19.860 -29.342 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.888 -17.234 -29.193 1.00 2.40 H new ATOM 0 HH TYR A 66 22.860 -17.129 -30.743 1.00 12.33 H new ATOM 1026 N LYS A 67 17.947 -21.258 -28.975 1.00 53.20 N ATOM 1027 CA LYS A 67 17.059 -20.620 -29.938 1.00 62.12 C ATOM 1028 C LYS A 67 16.383 -19.397 -29.328 1.00 21.43 C ATOM 1029 O LYS A 67 16.037 -19.392 -28.146 1.00 63.05 O ATOM 1030 CB LYS A 67 16.001 -21.612 -30.424 1.00 52.15 C ATOM 1031 CG LYS A 67 15.128 -21.072 -31.543 1.00 4.31 C ATOM 1032 CD LYS A 67 15.838 -21.136 -32.885 1.00 75.43 C ATOM 1033 CE LYS A 67 15.010 -20.490 -33.985 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.853 -21.340 -34.380 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.682 -21.117 -28.000 1.00 53.20 H new ATOM 0 HA LYS A 67 17.660 -20.295 -30.788 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.497 -22.520 -30.768 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.367 -21.894 -29.584 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.202 -21.645 -31.592 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.852 -20.040 -31.325 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.803 -20.634 -32.812 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.039 -22.176 -33.142 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.648 -19.520 -33.645 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.641 -20.308 -34.855 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.104 -20.742 -34.784 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.160 -22.036 -35.089 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.485 -21.837 -33.543 1.00 33.33 H new ATOM 1048 N PHE A 68 16.194 -18.362 -30.141 1.00 0.13 N ATOM 1049 CA PHE A 68 15.557 -17.134 -29.680 1.00 34.41 C ATOM 1050 C PHE A 68 14.047 -17.190 -29.897 1.00 74.51 C ATOM 1051 O PHE A 68 13.567 -17.821 -30.839 1.00 43.04 O ATOM 1052 CB PHE A 68 16.144 -15.925 -30.410 1.00 21.54 C ATOM 1053 CG PHE A 68 17.504 -15.526 -29.911 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.755 -15.426 -28.553 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.530 -15.253 -30.801 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.005 -15.058 -28.091 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.782 -14.886 -30.346 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.020 -14.789 -28.989 1.00 60.24 C ATOM 0 H PHE A 68 16.473 -18.350 -31.122 1.00 0.13 H new ATOM 0 HA PHE A 68 15.749 -17.033 -28.612 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.208 -16.149 -31.475 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.464 -15.080 -30.302 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.966 -15.638 -27.847 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.349 -15.328 -31.863 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.188 -14.981 -27.029 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.573 -14.675 -31.050 1.00 21.32 H new ATOM 0 HZ PHE A 68 20.998 -14.503 -28.630 1.00 60.24 H new ATOM 1068 N PHE A 69 13.304 -16.525 -29.019 1.00 64.40 N ATOM 1069 CA PHE A 69 11.849 -16.499 -29.114 1.00 63.41 C ATOM 1070 C PHE A 69 11.319 -15.078 -28.952 1.00 34.32 C ATOM 1071 O PHE A 69 11.120 -14.601 -27.834 1.00 62.44 O ATOM 1072 CB PHE A 69 11.231 -17.409 -28.050 1.00 5.13 C ATOM 1073 CG PHE A 69 9.731 -17.468 -28.109 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.093 -18.335 -28.981 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.961 -16.657 -27.291 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.713 -18.390 -29.037 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.581 -16.709 -27.342 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.956 -17.578 -28.216 1.00 3.22 C ATOM 0 H PHE A 69 13.685 -15.997 -28.234 1.00 64.40 H new ATOM 0 HA PHE A 69 11.568 -16.863 -30.102 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.631 -18.416 -28.168 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.534 -17.059 -27.063 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.680 -18.975 -29.624 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.445 -15.977 -26.606 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.227 -19.068 -29.723 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.992 -16.071 -26.700 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.878 -17.622 -28.257 1.00 3.22 H new ATOM 1088 N VAL A 70 11.091 -14.405 -30.076 1.00 51.23 N ATOM 1089 CA VAL A 70 10.584 -13.038 -30.059 1.00 53.12 C ATOM 1090 C VAL A 70 9.300 -12.919 -30.873 1.00 13.23 C ATOM 1091 O VAL A 70 9.095 -13.654 -31.840 1.00 23.10 O ATOM 1092 CB VAL A 70 11.624 -12.047 -30.615 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.159 -10.613 -30.408 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.979 -12.277 -29.963 1.00 41.35 C ATOM 0 H VAL A 70 11.249 -14.784 -31.009 1.00 51.23 H new ATOM 0 HA VAL A 70 10.376 -12.790 -29.018 1.00 53.12 H new ATOM 0 HB VAL A 70 11.728 -12.218 -31.686 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.906 -9.927 -30.807 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.212 -10.459 -30.926 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.025 -10.424 -29.343 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.702 -11.569 -30.367 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.894 -12.134 -28.886 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.314 -13.294 -30.168 1.00 41.35 H new ATOM 1104 N ASP A 71 8.439 -11.990 -30.475 1.00 3.15 N ATOM 1105 CA ASP A 71 7.173 -11.773 -31.167 1.00 54.03 C ATOM 1106 C ASP A 71 6.295 -13.019 -31.097 1.00 20.14 C ATOM 1107 O ASP A 71 5.560 -13.326 -32.035 1.00 62.44 O ATOM 1108 CB ASP A 71 7.426 -11.393 -32.628 1.00 64.34 C ATOM 1109 CG ASP A 71 6.277 -10.606 -33.228 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.891 -9.576 -32.636 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 5.764 -11.019 -34.289 1.00 63.53 O ATOM 0 H ASP A 71 8.594 -11.374 -29.677 1.00 3.15 H new ATOM 0 HA ASP A 71 6.651 -10.955 -30.671 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.340 -10.803 -32.694 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.588 -12.298 -33.213 1.00 64.34 H new ATOM 1116 N GLY A 72 6.378 -13.734 -29.978 1.00 2.30 N ATOM 1117 CA GLY A 72 5.587 -14.937 -29.807 1.00 30.24 C ATOM 1118 C GLY A 72 5.931 -16.007 -30.825 1.00 72.25 C ATOM 1119 O GLY A 72 5.069 -16.786 -31.230 1.00 21.11 O ATOM 0 H GLY A 72 6.979 -13.500 -29.188 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.744 -15.331 -28.803 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.529 -14.687 -29.890 1.00 30.24 H new ATOM 1123 N GLN A 73 7.193 -16.043 -31.239 1.00 45.23 N ATOM 1124 CA GLN A 73 7.648 -17.024 -32.217 1.00 20.11 C ATOM 1125 C GLN A 73 9.153 -17.243 -32.110 1.00 25.04 C ATOM 1126 O GLN A 73 9.893 -16.345 -31.708 1.00 32.35 O ATOM 1127 CB GLN A 73 7.286 -16.569 -33.633 1.00 33.33 C ATOM 1128 CG GLN A 73 8.031 -15.323 -34.080 1.00 51.12 C ATOM 1129 CD GLN A 73 7.869 -15.046 -35.562 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.693 -15.967 -36.361 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.928 -13.773 -35.937 1.00 32.52 N ATOM 0 H GLN A 73 7.918 -15.405 -30.913 1.00 45.23 H new ATOM 0 HA GLN A 73 7.147 -17.969 -32.007 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.498 -17.379 -34.331 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.214 -16.378 -33.682 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.670 -14.465 -33.512 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.090 -15.435 -33.849 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.075 -13.042 -35.241 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.826 -13.526 -36.921 1.00 32.52 H new ATOM 1140 N TRP A 74 9.599 -18.440 -32.472 1.00 23.22 N ATOM 1141 CA TRP A 74 11.017 -18.777 -32.416 1.00 12.20 C ATOM 1142 C TRP A 74 11.757 -18.224 -33.629 1.00 60.11 C ATOM 1143 O TRP A 74 11.495 -18.625 -34.763 1.00 24.22 O ATOM 1144 CB TRP A 74 11.200 -20.293 -32.338 1.00 50.12 C ATOM 1145 CG TRP A 74 10.705 -20.886 -31.054 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.502 -21.499 -30.845 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.399 -20.921 -29.802 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.407 -21.912 -29.537 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.557 -21.570 -28.877 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.649 -20.469 -29.373 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.928 -21.776 -27.551 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.016 -20.673 -28.056 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.158 -21.322 -27.158 1.00 52.42 C ATOM 0 H TRP A 74 8.999 -19.194 -32.808 1.00 23.22 H new ATOM 0 HA TRP A 74 11.437 -18.322 -31.519 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.674 -20.759 -33.171 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.257 -20.531 -32.456 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.739 -21.639 -31.596 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.609 -22.395 -29.125 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.317 -19.969 -30.058 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.269 -22.276 -26.857 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.980 -20.327 -27.713 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.474 -21.467 -26.135 1.00 52.42 H new ATOM 1164 N VAL A 75 12.681 -17.302 -33.385 1.00 42.22 N ATOM 1165 CA VAL A 75 13.459 -16.695 -34.459 1.00 53.15 C ATOM 1166 C VAL A 75 14.953 -16.921 -34.250 1.00 42.43 C ATOM 1167 O VAL A 75 15.378 -17.404 -33.200 1.00 15.11 O ATOM 1168 CB VAL A 75 13.190 -15.182 -34.562 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.718 -14.920 -34.841 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.634 -14.474 -33.291 1.00 33.52 C ATOM 0 H VAL A 75 12.910 -16.958 -32.452 1.00 42.22 H new ATOM 0 HA VAL A 75 13.147 -17.176 -35.386 1.00 53.15 H new ATOM 0 HB VAL A 75 13.770 -14.783 -35.394 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.546 -13.846 -34.911 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.436 -15.394 -35.781 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.115 -15.332 -34.032 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.436 -13.406 -33.382 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.083 -14.874 -32.440 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.701 -14.634 -33.139 1.00 33.52 H new ATOM 1180 N HIS A 76 15.745 -16.567 -35.257 1.00 54.12 N ATOM 1181 CA HIS A 76 17.193 -16.731 -35.184 1.00 10.02 C ATOM 1182 C HIS A 76 17.899 -15.707 -36.068 1.00 43.22 C ATOM 1183 O HIS A 76 17.305 -15.156 -36.995 1.00 33.44 O ATOM 1184 CB HIS A 76 17.589 -18.145 -35.604 1.00 62.13 C ATOM 1185 CG HIS A 76 17.433 -18.401 -37.072 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.157 -17.966 -38.129 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.429 -19.189 -37.595 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.586 -18.494 -39.260 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.546 -19.229 -38.911 1.00 14.42 N flip ATOM 0 H HIS A 76 15.409 -16.165 -36.132 1.00 54.12 H new ATOM 0 HA HIS A 76 17.502 -16.568 -34.151 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.627 -18.322 -35.321 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.982 -18.862 -35.052 1.00 62.13 H new ATOM 0 HD1 HIS A 76 18.975 -17.358 -38.092 1.00 33.14 H new ATOM 0 HD2 HIS A 76 15.667 -19.694 -37.020 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.931 -18.334 -40.271 1.00 52.22 H new ATOM 1197 N ASP A 77 19.172 -15.458 -35.776 1.00 61.11 N ATOM 1198 CA ASP A 77 19.959 -14.502 -36.544 1.00 41.41 C ATOM 1199 C ASP A 77 20.812 -15.215 -37.588 1.00 24.02 C ATOM 1200 O ASP A 77 21.465 -16.220 -37.310 1.00 23.04 O ATOM 1201 CB ASP A 77 20.852 -13.680 -35.613 1.00 44.44 C ATOM 1202 CG ASP A 77 21.367 -12.415 -36.272 1.00 1.12 C ATOM 1203 OD1 ASP A 77 20.553 -11.497 -36.510 1.00 34.33 O ATOM 1204 OD2 ASP A 77 22.583 -12.342 -36.548 1.00 10.11 O1- ATOM 0 H ASP A 77 19.680 -15.906 -35.013 1.00 61.11 H new ATOM 0 HA ASP A 77 19.270 -13.832 -37.059 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.292 -13.417 -34.716 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.697 -14.290 -35.293 1.00 44.44 H new ATOM 1209 N PRO A 78 20.807 -14.684 -38.820 1.00 15.43 N ATOM 1210 CA PRO A 78 21.573 -15.255 -39.931 1.00 4.43 C ATOM 1211 C PRO A 78 23.077 -15.070 -39.753 1.00 61.31 C ATOM 1212 O PRO A 78 23.875 -15.825 -40.309 1.00 23.50 O ATOM 1213 CB PRO A 78 21.078 -14.465 -41.147 1.00 61.03 C ATOM 1214 CG PRO A 78 20.599 -13.171 -40.587 1.00 70.11 C ATOM 1215 CD PRO A 78 20.051 -13.487 -39.224 1.00 31.15 C ATOM 0 HA PRO A 78 21.426 -16.332 -40.016 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.878 -14.311 -41.872 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.277 -14.994 -41.664 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.413 -12.449 -40.522 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.832 -12.731 -41.224 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.204 -12.662 -38.528 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.979 -13.681 -39.257 1.00 31.15 H new ATOM 1223 N SER A 79 23.457 -14.063 -38.974 1.00 34.01 N ATOM 1224 CA SER A 79 24.865 -13.777 -38.725 1.00 21.01 C ATOM 1225 C SER A 79 25.462 -14.794 -37.758 1.00 1.21 C ATOM 1226 O SER A 79 26.654 -15.094 -37.815 1.00 44.53 O ATOM 1227 CB SER A 79 25.029 -12.364 -38.163 1.00 32.35 C ATOM 1228 OG SER A 79 26.270 -11.802 -38.548 1.00 23.51 O ATOM 0 H SER A 79 22.809 -13.431 -38.504 1.00 34.01 H new ATOM 0 HA SER A 79 25.398 -13.846 -39.673 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.215 -11.732 -38.517 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.961 -12.392 -37.075 1.00 32.35 H new ATOM 0 HG SER A 79 26.349 -10.898 -38.177 1.00 23.51 H new ATOM 1234 N GLU A 80 24.624 -15.321 -36.870 1.00 41.40 N ATOM 1235 CA GLU A 80 25.070 -16.303 -35.888 1.00 72.34 C ATOM 1236 C GLU A 80 25.136 -17.697 -36.506 1.00 21.05 C ATOM 1237 O GLU A 80 24.527 -17.974 -37.540 1.00 74.53 O ATOM 1238 CB GLU A 80 24.131 -16.312 -34.681 1.00 2.30 C ATOM 1239 CG GLU A 80 24.520 -15.319 -33.599 1.00 10.13 C ATOM 1240 CD GLU A 80 23.467 -15.194 -32.516 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.465 -15.937 -32.572 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 23.644 -14.350 -31.611 1.00 15.10 O ATOM 0 H GLU A 80 23.634 -15.085 -36.811 1.00 41.40 H new ATOM 0 HA GLU A 80 26.070 -16.022 -35.558 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.118 -16.091 -35.018 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.113 -17.314 -34.253 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.463 -15.629 -33.149 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.688 -14.342 -34.051 1.00 10.13 H new ATOM 1249 N PRO A 81 25.893 -18.595 -35.859 1.00 13.13 N ATOM 1250 CA PRO A 81 26.058 -19.974 -36.326 1.00 34.44 C ATOM 1251 C PRO A 81 24.782 -20.794 -36.173 1.00 52.34 C ATOM 1252 O PRO A 81 24.624 -21.542 -35.207 1.00 32.21 O ATOM 1253 CB PRO A 81 27.160 -20.527 -35.420 1.00 71.33 C ATOM 1254 CG PRO A 81 27.080 -19.704 -34.180 1.00 70.53 C ATOM 1255 CD PRO A 81 26.647 -18.333 -34.622 1.00 61.31 C ATOM 0 HA PRO A 81 26.299 -20.018 -37.388 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.002 -21.584 -35.205 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.140 -20.440 -35.890 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.367 -20.130 -33.474 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.045 -19.665 -33.674 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.027 -17.845 -33.869 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.501 -17.681 -34.803 1.00 61.31 H new ATOM 1263 N VAL A 82 23.872 -20.650 -37.131 1.00 53.33 N ATOM 1264 CA VAL A 82 22.610 -21.379 -37.103 1.00 75.02 C ATOM 1265 C VAL A 82 22.718 -22.698 -37.861 1.00 72.11 C ATOM 1266 O VAL A 82 23.598 -22.870 -38.705 1.00 30.20 O ATOM 1267 CB VAL A 82 21.466 -20.545 -37.710 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.259 -19.264 -36.915 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.751 -20.235 -39.172 1.00 55.33 C ATOM 0 H VAL A 82 23.986 -20.035 -37.937 1.00 53.33 H new ATOM 0 HA VAL A 82 22.387 -21.582 -36.056 1.00 75.02 H new ATOM 0 HB VAL A 82 20.547 -21.129 -37.659 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.447 -18.688 -37.358 1.00 54.42 H new ATOM 0 HG12 VAL A 82 21.007 -19.512 -35.884 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.175 -18.673 -36.932 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.933 -19.645 -39.585 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.680 -19.671 -39.250 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.844 -21.167 -39.730 1.00 55.33 H new ATOM 1279 N VAL A 83 21.820 -23.627 -37.554 1.00 45.51 N ATOM 1280 CA VAL A 83 21.813 -24.931 -38.207 1.00 23.24 C ATOM 1281 C VAL A 83 20.427 -25.564 -38.156 1.00 60.32 C ATOM 1282 O VAL A 83 19.701 -25.418 -37.172 1.00 51.55 O ATOM 1283 CB VAL A 83 22.828 -25.889 -37.557 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.478 -26.126 -36.095 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.884 -27.203 -38.321 1.00 63.11 C ATOM 0 H VAL A 83 21.087 -23.501 -36.856 1.00 45.51 H new ATOM 0 HA VAL A 83 22.095 -24.766 -39.247 1.00 23.24 H new ATOM 0 HB VAL A 83 23.815 -25.429 -37.599 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.206 -26.805 -35.652 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.494 -25.177 -35.559 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.483 -26.565 -36.026 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.606 -27.868 -37.848 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.900 -27.671 -38.312 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.186 -27.013 -39.351 1.00 63.11 H new ATOM 1377 N ILE A 90 15.333 -24.532 -37.553 1.00 10.10 N ATOM 1378 CA ILE A 90 16.619 -23.855 -37.452 1.00 62.35 C ATOM 1379 C ILE A 90 16.898 -23.415 -36.018 1.00 75.12 C ATOM 1380 O ILE A 90 16.010 -22.915 -35.328 1.00 35.51 O ATOM 1381 CB ILE A 90 16.683 -22.625 -38.376 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.293 -23.011 -39.804 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.075 -22.014 -38.349 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.261 -23.973 -40.455 1.00 52.12 C ATOM 0 HA ILE A 90 17.378 -24.573 -37.764 1.00 62.35 H new ATOM 0 HB ILE A 90 15.973 -21.881 -38.014 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.300 -23.460 -39.792 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.227 -22.108 -40.411 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.104 -21.146 -39.007 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.318 -21.707 -37.332 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.803 -22.751 -38.689 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.922 -24.203 -41.465 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.251 -23.519 -40.499 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.309 -24.892 -39.871 1.00 52.12 H new ATOM 1396 N ASN A 91 18.138 -23.602 -35.577 1.00 74.31 N ATOM 1397 CA ASN A 91 18.534 -23.223 -34.226 1.00 40.23 C ATOM 1398 C ASN A 91 19.946 -22.645 -34.215 1.00 12.32 C ATOM 1399 O ASN A 91 20.734 -22.889 -35.128 1.00 61.32 O ATOM 1400 CB ASN A 91 18.459 -24.433 -33.293 1.00 75.11 C ATOM 1401 CG ASN A 91 19.059 -25.681 -33.913 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.519 -26.230 -34.874 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.180 -26.134 -33.365 1.00 13.21 N ATOM 0 H ASN A 91 18.885 -24.014 -36.136 1.00 74.31 H new ATOM 0 HA ASN A 91 17.844 -22.456 -33.873 1.00 40.23 H new ATOM 0 HB2 ASN A 91 18.982 -24.205 -32.364 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.418 -24.624 -33.034 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.629 -26.970 -33.740 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.592 -25.646 -32.569 1.00 13.21 H new ATOM 1410 N ASN A 92 20.257 -21.877 -33.176 1.00 4.32 N ATOM 1411 CA ASN A 92 21.573 -21.263 -33.046 1.00 54.51 C ATOM 1412 C ASN A 92 22.592 -22.268 -32.517 1.00 33.33 C ATOM 1413 O ASN A 92 22.257 -23.420 -32.235 1.00 14.13 O ATOM 1414 CB ASN A 92 21.504 -20.051 -32.115 1.00 61.45 C ATOM 1415 CG ASN A 92 20.740 -18.894 -32.728 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.321 -18.276 -33.750 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.640 -18.560 -32.288 1.00 23.44 N flip ATOM 0 H ASN A 92 19.615 -21.665 -32.412 1.00 4.32 H new ATOM 0 HA ASN A 92 21.893 -20.935 -34.035 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.028 -20.342 -31.179 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.515 -19.726 -31.870 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.231 -19.064 -31.501 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.137 -17.780 -32.711 1.00 23.44 H new ATOM 1424 N LEU A 93 23.838 -21.826 -32.383 1.00 32.05 N ATOM 1425 CA LEU A 93 24.906 -22.685 -31.887 1.00 34.14 C ATOM 1426 C LEU A 93 25.826 -21.920 -30.942 1.00 2.14 C ATOM 1427 O LEU A 93 26.353 -20.863 -31.293 1.00 5.21 O ATOM 1428 CB LEU A 93 25.714 -23.254 -33.055 1.00 74.14 C ATOM 1429 CG LEU A 93 26.923 -24.112 -32.680 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.520 -25.202 -31.699 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.554 -24.719 -33.925 1.00 72.43 C ATOM 0 H LEU A 93 24.133 -20.877 -32.611 1.00 32.05 H new ATOM 0 HA LEU A 93 24.450 -23.507 -31.334 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.047 -23.853 -33.675 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.060 -22.423 -33.670 1.00 74.14 H new ATOM 0 HG LEU A 93 27.662 -23.473 -32.198 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.393 -25.803 -31.444 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.116 -24.747 -30.795 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.762 -25.839 -32.154 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.413 -25.326 -33.639 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.822 -25.344 -34.436 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.880 -23.922 -34.593 1.00 72.43 H new ATOM 1443 N ILE A 94 26.017 -22.460 -29.743 1.00 14.30 N ATOM 1444 CA ILE A 94 26.876 -21.828 -28.749 1.00 21.03 C ATOM 1445 C ILE A 94 27.971 -22.784 -28.282 1.00 2.32 C ATOM 1446 O ILE A 94 27.744 -23.986 -28.149 1.00 25.24 O ATOM 1447 CB ILE A 94 26.069 -21.355 -27.526 1.00 25.21 C ATOM 1448 CG1 ILE A 94 26.993 -20.686 -26.506 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.329 -22.524 -26.894 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.401 -19.445 -25.875 1.00 45.44 C ATOM 0 H ILE A 94 25.589 -23.333 -29.436 1.00 14.30 H new ATOM 0 HA ILE A 94 27.332 -20.963 -29.230 1.00 21.03 H new ATOM 0 HB ILE A 94 25.333 -20.622 -27.856 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.234 -21.403 -25.721 1.00 25.24 H new ATOM 0 HG13 ILE A 94 27.931 -20.423 -26.996 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.763 -22.173 -26.031 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.645 -22.959 -27.623 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.047 -23.279 -26.574 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.111 -19.025 -25.163 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.186 -18.710 -26.650 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.478 -19.705 -25.356 1.00 45.44 H new ATOM 1462 N HIS A 95 29.158 -22.239 -28.035 1.00 34.15 N ATOM 1463 CA HIS A 95 30.287 -23.042 -27.580 1.00 64.32 C ATOM 1464 C HIS A 95 30.992 -22.372 -26.404 1.00 64.02 C ATOM 1465 O HIS A 95 31.760 -21.429 -26.584 1.00 35.41 O ATOM 1466 CB HIS A 95 31.277 -23.262 -28.724 1.00 24.45 C ATOM 1467 CG HIS A 95 32.057 -24.535 -28.606 1.00 31.14 C ATOM 1468 ND1 HIS A 95 32.802 -24.861 -27.492 1.00 4.01 N ATOM 1469 CD2 HIS A 95 32.203 -25.567 -29.469 1.00 34.13 C ATOM 1470 CE1 HIS A 95 33.374 -26.036 -27.675 1.00 5.54 C ATOM 1471 NE2 HIS A 95 33.026 -26.487 -28.867 1.00 74.23 N ATOM 0 H HIS A 95 29.363 -21.246 -28.142 1.00 34.15 H new ATOM 0 HA HIS A 95 29.904 -24.008 -27.249 1.00 64.32 H new ATOM 0 HB2 HIS A 95 30.733 -23.265 -29.668 1.00 24.45 H new ATOM 0 HB3 HIS A 95 31.971 -22.422 -28.759 1.00 24.45 H new ATOM 0 HD2 HIS A 95 31.756 -25.651 -30.448 1.00 34.13 H new ATOM 0 HE1 HIS A 95 34.017 -26.543 -26.970 1.00 5.54 H new ATOM 0 HE2 HIS A 95 33.321 -27.375 -29.274 1.00 74.23 H new ATOM 1479 N VAL A 96 30.723 -22.868 -25.200 1.00 71.10 N ATOM 1480 CA VAL A 96 31.331 -22.318 -23.994 1.00 11.24 C ATOM 1481 C VAL A 96 32.657 -23.002 -23.685 1.00 23.32 C ATOM 1482 O VAL A 96 32.808 -24.208 -23.888 1.00 52.24 O ATOM 1483 CB VAL A 96 30.396 -22.462 -22.778 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.076 -21.949 -21.518 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.087 -21.727 -23.024 1.00 41.02 C ATOM 0 H VAL A 96 30.088 -23.649 -25.034 1.00 71.10 H new ATOM 0 HA VAL A 96 31.508 -21.259 -24.184 1.00 11.24 H new ATOM 0 HB VAL A 96 30.172 -23.519 -22.636 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.401 -22.059 -20.670 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.984 -22.523 -21.335 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.331 -20.897 -21.645 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.438 -21.839 -22.155 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.290 -20.669 -23.192 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.594 -22.146 -23.901 1.00 41.02 H new