USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 34 SER OG : rot 98:sc= 1.4 USER MOD Set 1.2: A 38 ASN : amide:sc= -2.9! C(o=-1.5!,f=-8.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 25 SER OG : rot 42:sc= 0.467 USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0351) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 41 SER OG : rot -50:sc= 0.0449 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.893 (180deg=-0.913) 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 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.059 K(o=-0.059,f=-2.1!) USER MOD Single : A 64 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-0.83) USER MOD Single : A 65 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.18) USER MOD Single : A 66 TYR OH : rot 147:sc= -0.106 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.00764 (180deg=-0.864) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-1.7) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.77) USER MOD Single : A 92 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.19) USER MOD Single : A 95 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.339 -22.777 -13.174 1.00 12.42 N ATOM 234 CA ALA A 17 29.642 -22.662 -14.596 1.00 42.35 C ATOM 235 C ALA A 17 29.686 -21.202 -15.031 1.00 62.44 C ATOM 236 O ALA A 17 29.136 -20.327 -14.361 1.00 42.53 O ATOM 237 CB ALA A 17 28.617 -23.429 -15.417 1.00 33.33 C ATOM 0 HA ALA A 17 30.627 -23.095 -14.769 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.855 -23.335 -16.476 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.637 -24.481 -15.133 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.623 -23.022 -15.231 1.00 33.33 H new ATOM 243 N ARG A 18 30.344 -20.943 -16.157 1.00 70.43 N ATOM 244 CA ARG A 18 30.460 -19.587 -16.679 1.00 32.44 C ATOM 245 C ARG A 18 29.165 -19.153 -17.357 1.00 34.41 C ATOM 246 O ARG A 18 28.355 -19.973 -17.789 1.00 12.32 O ATOM 247 CB ARG A 18 31.622 -19.499 -17.672 1.00 12.31 C ATOM 248 CG ARG A 18 32.840 -18.776 -17.121 1.00 64.34 C ATOM 249 CD ARG A 18 33.746 -18.280 -18.238 1.00 1.20 C ATOM 250 NE ARG A 18 33.885 -16.827 -18.225 1.00 31.54 N ATOM 251 CZ ARG A 18 34.462 -16.134 -19.201 1.00 74.52 C ATOM 252 NH1 ARG A 18 34.950 -16.761 -20.264 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 34.551 -14.814 -19.117 1.00 25.53 N ATOM 0 H ARG A 18 30.804 -21.654 -16.725 1.00 70.43 H new ATOM 0 HA ARG A 18 30.654 -18.917 -15.841 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.912 -20.507 -17.969 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.282 -18.986 -18.572 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.518 -17.932 -16.510 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.399 -19.447 -16.469 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.729 -18.739 -18.138 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.343 -18.597 -19.200 1.00 1.20 H new ATOM 0 HE ARG A 18 33.519 -16.315 -17.422 1.00 31.54 H new ATOM 0 HH11 ARG A 18 34.882 -17.776 -20.333 1.00 5.14 H new ATOM 0 HH12 ARG A 18 35.393 -16.227 -21.012 1.00 5.14 H new ATOM 0 HH21 ARG A 18 34.176 -14.328 -18.302 1.00 25.53 H new ATOM 0 HH22 ARG A 18 34.994 -14.284 -19.867 1.00 25.53 H new ATOM 267 N PRO A 19 28.961 -17.830 -17.452 1.00 3.15 N ATOM 268 CA PRO A 19 27.766 -17.255 -18.076 1.00 23.40 C ATOM 269 C PRO A 19 27.741 -17.468 -19.586 1.00 70.32 C ATOM 270 O PRO A 19 28.756 -17.806 -20.193 1.00 5.33 O ATOM 271 CB PRO A 19 27.875 -15.765 -17.747 1.00 44.10 C ATOM 272 CG PRO A 19 29.332 -15.526 -17.551 1.00 71.22 C ATOM 273 CD PRO A 19 29.884 -16.794 -16.959 1.00 71.44 C ATOM 0 HA PRO A 19 26.851 -17.720 -17.709 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.478 -15.151 -18.556 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.309 -15.515 -16.850 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.820 -15.293 -18.497 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.503 -14.679 -16.887 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.907 -16.978 -17.287 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.900 -16.755 -15.870 1.00 71.44 H new ATOM 281 N THR A 20 26.573 -17.265 -20.188 1.00 62.41 N ATOM 282 CA THR A 20 26.415 -17.435 -21.627 1.00 11.43 C ATOM 283 C THR A 20 26.539 -16.101 -22.354 1.00 21.11 C ATOM 284 O THR A 20 26.314 -15.040 -21.771 1.00 33.42 O ATOM 285 CB THR A 20 25.055 -18.070 -21.973 1.00 72.41 C ATOM 286 OG1 THR A 20 25.062 -18.534 -23.327 1.00 51.10 O ATOM 287 CG2 THR A 20 23.925 -17.070 -21.779 1.00 52.22 C ATOM 0 H THR A 20 25.722 -16.983 -19.701 1.00 62.41 H new ATOM 0 HA THR A 20 27.212 -18.102 -21.956 1.00 11.43 H new ATOM 0 HB THR A 20 24.891 -18.913 -21.302 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.195 -18.938 -23.539 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.975 -17.542 -22.030 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.904 -16.742 -20.740 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.085 -16.209 -22.428 1.00 52.22 H new ATOM 295 N VAL A 21 26.900 -16.160 -23.632 1.00 64.42 N ATOM 296 CA VAL A 21 27.052 -14.957 -24.441 1.00 34.44 C ATOM 297 C VAL A 21 25.911 -14.819 -25.443 1.00 4.33 C ATOM 298 O VAL A 21 25.919 -15.454 -26.499 1.00 53.11 O ATOM 299 CB VAL A 21 28.391 -14.957 -25.201 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.546 -13.679 -26.013 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.553 -15.126 -24.233 1.00 42.33 C ATOM 0 H VAL A 21 27.093 -17.029 -24.130 1.00 64.42 H new ATOM 0 HA VAL A 21 27.032 -14.110 -23.755 1.00 34.44 H new ATOM 0 HB VAL A 21 28.396 -15.801 -25.891 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.498 -13.698 -26.543 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.731 -13.605 -26.733 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.519 -12.818 -25.345 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.492 -15.124 -24.787 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.553 -14.304 -23.517 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.448 -16.071 -23.700 1.00 42.33 H new ATOM 311 N ILE A 22 24.932 -13.986 -25.107 1.00 22.23 N ATOM 312 CA ILE A 22 23.785 -13.764 -25.979 1.00 2.23 C ATOM 313 C ILE A 22 23.525 -12.276 -26.177 1.00 11.25 C ATOM 314 O ILE A 22 23.623 -11.487 -25.236 1.00 71.43 O ATOM 315 CB ILE A 22 22.514 -14.426 -25.415 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.440 -15.892 -25.848 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.275 -13.671 -25.873 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.947 -16.857 -24.799 1.00 75.24 C ATOM 0 H ILE A 22 24.910 -13.454 -24.237 1.00 22.23 H new ATOM 0 HA ILE A 22 24.026 -14.218 -26.940 1.00 2.23 H new ATOM 0 HB ILE A 22 22.557 -14.390 -24.326 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.406 -16.140 -26.089 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.020 -16.023 -26.761 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.385 -14.151 -25.466 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.325 -12.641 -25.520 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.226 -13.679 -26.962 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.865 -17.877 -25.173 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.990 -16.635 -24.575 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.351 -16.754 -23.892 1.00 75.24 H new ATOM 330 N ARG A 23 23.190 -11.897 -27.405 1.00 22.13 N ATOM 331 CA ARG A 23 22.914 -10.502 -27.727 1.00 2.21 C ATOM 332 C ARG A 23 21.895 -10.395 -28.858 1.00 24.52 C ATOM 333 O ARG A 23 22.212 -10.660 -30.018 1.00 2.42 O ATOM 334 CB ARG A 23 24.205 -9.782 -28.119 1.00 42.34 C ATOM 335 CG ARG A 23 24.986 -10.487 -29.217 1.00 24.01 C ATOM 336 CD ARG A 23 26.410 -9.961 -29.313 1.00 73.43 C ATOM 337 NE ARG A 23 26.495 -8.759 -30.137 1.00 13.23 N ATOM 338 CZ ARG A 23 27.640 -8.183 -30.482 1.00 71.22 C ATOM 339 NH1 ARG A 23 28.793 -8.698 -30.077 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 27.636 -7.090 -31.234 1.00 52.22 N ATOM 0 H ARG A 23 23.103 -12.537 -28.195 1.00 22.13 H new ATOM 0 HA ARG A 23 22.496 -10.027 -26.840 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.962 -8.772 -28.449 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.839 -9.686 -27.238 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.005 -11.559 -29.020 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.480 -10.347 -30.172 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.784 -9.742 -28.313 1.00 73.43 H new ATOM 0 HD3 ARG A 23 27.054 -10.734 -29.732 1.00 73.43 H new ATOM 0 HE ARG A 23 25.626 -8.338 -30.466 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.801 -9.538 -29.499 1.00 41.22 H new ATOM 0 HH12 ARG A 23 29.672 -8.254 -30.343 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.752 -6.690 -31.548 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.517 -6.649 -31.498 1.00 52.22 H new ATOM 354 N TRP A 24 20.673 -10.008 -28.512 1.00 71.11 N ATOM 355 CA TRP A 24 19.609 -9.867 -29.498 1.00 14.11 C ATOM 356 C TRP A 24 19.119 -8.426 -29.569 1.00 74.11 C ATOM 357 O TRP A 24 18.776 -7.826 -28.549 1.00 40.02 O ATOM 358 CB TRP A 24 18.444 -10.799 -29.158 1.00 23.53 C ATOM 359 CG TRP A 24 17.254 -10.613 -30.050 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.263 -9.683 -29.911 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.930 -11.376 -31.218 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.342 -9.823 -30.921 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.729 -10.854 -31.736 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.539 -12.448 -31.875 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.126 -11.369 -32.881 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.940 -12.959 -33.011 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.744 -12.419 -33.505 1.00 42.54 C ATOM 0 H TRP A 24 20.395 -9.786 -27.556 1.00 71.11 H new ATOM 0 HA TRP A 24 20.013 -10.141 -30.473 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.783 -11.833 -29.227 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.144 -10.631 -28.124 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.211 -8.946 -29.123 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.506 -9.252 -31.044 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.461 -12.870 -31.502 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.204 -10.955 -33.263 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.401 -13.788 -33.527 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.301 -12.840 -34.396 1.00 42.54 H new ATOM 378 N SER A 25 19.087 -7.873 -30.778 1.00 14.13 N ATOM 379 CA SER A 25 18.642 -6.500 -30.980 1.00 42.24 C ATOM 380 C SER A 25 17.674 -6.410 -32.155 1.00 64.44 C ATOM 381 O SER A 25 18.084 -6.448 -33.314 1.00 51.21 O ATOM 382 CB SER A 25 19.843 -5.583 -31.221 1.00 73.05 C ATOM 383 OG SER A 25 20.655 -6.073 -32.275 1.00 65.11 O ATOM 0 H SER A 25 19.364 -8.356 -31.633 1.00 14.13 H new ATOM 0 HA SER A 25 18.122 -6.176 -30.079 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.495 -4.579 -31.462 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.434 -5.505 -30.308 1.00 73.05 H new ATOM 0 HG SER A 25 20.085 -6.395 -33.004 1.00 65.11 H new ATOM 389 N GLU A 26 16.387 -6.290 -31.845 1.00 53.54 N ATOM 390 CA GLU A 26 15.359 -6.195 -32.876 1.00 53.15 C ATOM 391 C GLU A 26 14.337 -5.117 -32.528 1.00 73.25 C ATOM 392 O GLU A 26 14.185 -4.134 -33.252 1.00 53.42 O ATOM 393 CB GLU A 26 14.655 -7.542 -33.051 1.00 25.03 C ATOM 394 CG GLU A 26 13.896 -7.667 -34.362 1.00 61.21 C ATOM 395 CD GLU A 26 14.809 -7.610 -35.571 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.988 -8.001 -35.445 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.342 -7.175 -36.645 1.00 31.44 O ATOM 0 H GLU A 26 16.031 -6.256 -30.890 1.00 53.54 H new ATOM 0 HA GLU A 26 15.845 -5.922 -33.813 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.396 -8.340 -32.992 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.961 -7.690 -32.224 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.346 -8.608 -34.371 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.160 -6.866 -34.429 1.00 61.21 H new ATOM 404 N GLY A 27 13.638 -5.309 -31.412 1.00 44.43 N ATOM 405 CA GLY A 27 12.639 -4.346 -30.988 1.00 31.34 C ATOM 406 C GLY A 27 11.288 -4.987 -30.734 1.00 63.32 C ATOM 407 O GLY A 27 10.249 -4.390 -31.011 1.00 61.55 O ATOM 0 H GLY A 27 13.746 -6.114 -30.795 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.979 -3.850 -30.079 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.534 -3.575 -31.752 1.00 31.34 H new ATOM 411 N GLY A 28 11.303 -6.206 -30.206 1.00 21.34 N ATOM 412 CA GLY A 28 10.064 -6.908 -29.926 1.00 62.33 C ATOM 413 C GLY A 28 9.474 -6.528 -28.583 1.00 50.05 C ATOM 414 O GLY A 28 9.867 -5.527 -27.984 1.00 23.31 O ATOM 0 H GLY A 28 12.151 -6.720 -29.967 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.341 -6.690 -30.712 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.246 -7.983 -29.949 1.00 62.33 H new ATOM 418 N LYS A 29 8.524 -7.328 -28.107 1.00 15.42 N ATOM 419 CA LYS A 29 7.877 -7.070 -26.827 1.00 45.44 C ATOM 420 C LYS A 29 8.442 -7.978 -25.740 1.00 12.10 C ATOM 421 O LYS A 29 8.550 -7.581 -24.580 1.00 63.53 O ATOM 422 CB LYS A 29 6.365 -7.277 -26.946 1.00 41.32 C ATOM 423 CG LYS A 29 5.702 -6.356 -27.954 1.00 72.44 C ATOM 424 CD LYS A 29 5.302 -5.033 -27.322 1.00 52.45 C ATOM 425 CE LYS A 29 4.076 -5.188 -26.435 1.00 71.52 C ATOM 426 NZ LYS A 29 2.828 -5.334 -27.234 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.186 -8.160 -28.590 1.00 15.42 H new ATOM 0 HA LYS A 29 8.075 -6.035 -26.550 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.170 -8.311 -27.228 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.908 -7.122 -25.969 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.384 -6.172 -28.784 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.820 -6.844 -28.369 1.00 72.44 H new ATOM 0 HD2 LYS A 29 6.132 -4.644 -26.732 1.00 52.45 H new ATOM 0 HD3 LYS A 29 5.097 -4.302 -28.104 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.200 -6.060 -25.793 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.989 -4.320 -25.781 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.003 -5.284 -26.602 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 2.774 -4.568 -27.936 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 2.834 -6.252 -27.723 1.00 53.32 H new ATOM 440 N GLU A 30 8.802 -9.199 -26.123 1.00 44.21 N ATOM 441 CA GLU A 30 9.356 -10.163 -25.179 1.00 11.54 C ATOM 442 C GLU A 30 10.316 -11.120 -25.879 1.00 2.32 C ATOM 443 O GLU A 30 9.998 -11.680 -26.929 1.00 51.51 O ATOM 444 CB GLU A 30 8.233 -10.953 -24.503 1.00 14.34 C ATOM 445 CG GLU A 30 7.439 -11.823 -25.463 1.00 21.41 C ATOM 446 CD GLU A 30 6.071 -12.190 -24.923 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.292 -11.268 -24.603 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.779 -13.401 -24.819 1.00 2.20 O ATOM 0 H GLU A 30 8.720 -9.544 -27.079 1.00 44.21 H new ATOM 0 HA GLU A 30 9.910 -9.611 -24.419 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.662 -11.584 -23.724 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.554 -10.256 -24.011 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.322 -11.298 -26.411 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.000 -12.734 -25.670 1.00 21.41 H new ATOM 455 N VAL A 31 11.495 -11.302 -25.292 1.00 1.21 N ATOM 456 CA VAL A 31 12.503 -12.191 -25.859 1.00 20.01 C ATOM 457 C VAL A 31 12.952 -13.232 -24.840 1.00 24.24 C ATOM 458 O VAL A 31 13.252 -12.904 -23.692 1.00 60.13 O ATOM 459 CB VAL A 31 13.732 -11.404 -26.350 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.717 -12.333 -27.044 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.307 -10.276 -27.277 1.00 53.33 C ATOM 0 H VAL A 31 11.776 -10.846 -24.424 1.00 1.21 H new ATOM 0 HA VAL A 31 12.041 -12.694 -26.708 1.00 20.01 H new ATOM 0 HB VAL A 31 14.230 -10.964 -25.486 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.579 -11.760 -27.385 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.045 -13.102 -26.345 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.233 -12.803 -27.900 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.188 -9.731 -27.614 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.785 -10.691 -28.139 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.642 -9.597 -26.743 1.00 53.33 H new ATOM 471 N PHE A 32 12.997 -14.490 -25.267 1.00 63.42 N ATOM 472 CA PHE A 32 13.411 -15.580 -24.392 1.00 64.12 C ATOM 473 C PHE A 32 14.402 -16.499 -25.099 1.00 21.54 C ATOM 474 O PHE A 32 14.451 -16.548 -26.329 1.00 42.43 O ATOM 475 CB PHE A 32 12.192 -16.382 -23.931 1.00 75.51 C ATOM 476 CG PHE A 32 11.225 -15.583 -23.104 1.00 43.43 C ATOM 477 CD1 PHE A 32 10.198 -14.875 -23.707 1.00 72.34 C ATOM 478 CD2 PHE A 32 11.345 -15.539 -21.725 1.00 62.05 C ATOM 479 CE1 PHE A 32 9.307 -14.140 -22.949 1.00 32.23 C ATOM 480 CE2 PHE A 32 10.456 -14.806 -20.962 1.00 3.23 C ATOM 481 CZ PHE A 32 9.437 -14.103 -21.574 1.00 24.12 C ATOM 0 H PHE A 32 12.752 -14.779 -26.214 1.00 63.42 H new ATOM 0 HA PHE A 32 13.903 -15.147 -23.521 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.673 -16.773 -24.806 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.530 -17.241 -23.351 1.00 75.51 H new ATOM 0 HD1 PHE A 32 10.093 -14.898 -24.782 1.00 72.34 H new ATOM 0 HD2 PHE A 32 12.142 -16.083 -21.241 1.00 62.05 H new ATOM 0 HE1 PHE A 32 8.509 -13.595 -23.431 1.00 32.23 H new ATOM 0 HE2 PHE A 32 10.558 -14.783 -19.887 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.744 -13.526 -20.980 1.00 24.12 H new ATOM 491 N ILE A 33 15.189 -17.227 -24.314 1.00 13.35 N ATOM 492 CA ILE A 33 16.179 -18.145 -24.864 1.00 22.33 C ATOM 493 C ILE A 33 16.028 -19.539 -24.265 1.00 62.43 C ATOM 494 O ILE A 33 15.742 -19.687 -23.076 1.00 63.03 O ATOM 495 CB ILE A 33 17.612 -17.643 -24.615 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.626 -18.584 -25.268 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.879 -17.522 -23.121 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.065 -18.227 -24.966 1.00 22.31 C ATOM 0 H ILE A 33 15.160 -17.199 -23.295 1.00 13.35 H new ATOM 0 HA ILE A 33 16.002 -18.193 -25.939 1.00 22.33 H new ATOM 0 HB ILE A 33 17.719 -16.656 -25.065 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.434 -19.602 -24.930 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.477 -18.573 -26.348 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.897 -17.166 -22.961 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.174 -16.816 -22.681 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.758 -18.497 -22.650 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.728 -18.937 -25.461 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.274 -17.221 -25.329 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.231 -18.266 -23.889 1.00 22.31 H new ATOM 510 N SER A 34 16.224 -20.558 -25.094 1.00 25.03 N ATOM 511 CA SER A 34 16.109 -21.942 -24.647 1.00 60.30 C ATOM 512 C SER A 34 17.028 -22.852 -25.455 1.00 10.42 C ATOM 513 O SER A 34 17.156 -22.704 -26.669 1.00 43.22 O ATOM 514 CB SER A 34 14.661 -22.420 -24.769 1.00 31.12 C ATOM 515 OG SER A 34 14.451 -23.605 -24.019 1.00 65.53 O ATOM 0 H SER A 34 16.463 -20.452 -26.080 1.00 25.03 H new ATOM 0 HA SER A 34 16.412 -21.987 -23.601 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.986 -21.639 -24.418 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.421 -22.601 -25.817 1.00 31.12 H new ATOM 0 HG SER A 34 14.061 -23.377 -23.149 1.00 65.53 H new ATOM 521 N GLY A 35 17.666 -23.798 -24.771 1.00 50.42 N ATOM 522 CA GLY A 35 18.564 -24.720 -25.440 1.00 51.10 C ATOM 523 C GLY A 35 18.616 -26.074 -24.762 1.00 32.54 C ATOM 524 O GLY A 35 17.748 -26.404 -23.953 1.00 42.30 O ATOM 0 H GLY A 35 17.576 -23.942 -23.765 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.245 -24.847 -26.474 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.566 -24.292 -25.466 1.00 51.10 H new ATOM 528 N SER A 36 19.633 -26.863 -25.094 1.00 50.42 N ATOM 529 CA SER A 36 19.791 -28.192 -24.516 1.00 60.21 C ATOM 530 C SER A 36 20.232 -28.102 -23.058 1.00 34.32 C ATOM 531 O SER A 36 20.217 -29.095 -22.330 1.00 45.21 O ATOM 532 CB SER A 36 20.809 -29.003 -25.319 1.00 64.21 C ATOM 533 OG SER A 36 22.135 -28.637 -24.979 1.00 43.11 O ATOM 0 H SER A 36 20.360 -26.604 -25.761 1.00 50.42 H new ATOM 0 HA SER A 36 18.825 -28.695 -24.555 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.662 -30.066 -25.130 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.646 -28.843 -26.385 1.00 64.21 H new ATOM 0 HG SER A 36 22.767 -29.171 -25.505 1.00 43.11 H new ATOM 539 N PHE A 37 20.624 -26.904 -22.639 1.00 5.12 N ATOM 540 CA PHE A 37 21.071 -26.682 -21.268 1.00 1.32 C ATOM 541 C PHE A 37 19.910 -26.821 -20.288 1.00 52.10 C ATOM 542 O PHE A 37 20.114 -26.951 -19.082 1.00 24.42 O ATOM 543 CB PHE A 37 21.703 -25.295 -21.134 1.00 52.43 C ATOM 544 CG PHE A 37 20.812 -24.182 -21.607 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.834 -23.659 -20.777 1.00 12.31 C ATOM 546 CD2 PHE A 37 20.955 -23.657 -22.881 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.013 -22.635 -21.211 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.137 -22.633 -23.320 1.00 64.25 C ATOM 549 CZ PHE A 37 19.165 -22.122 -22.483 1.00 63.21 C ATOM 0 H PHE A 37 20.641 -26.072 -23.228 1.00 5.12 H new ATOM 0 HA PHE A 37 21.818 -27.439 -21.029 1.00 1.32 H new ATOM 0 HB2 PHE A 37 21.963 -25.122 -20.090 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.633 -25.272 -21.702 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.712 -24.056 -19.780 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.715 -24.053 -23.539 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.253 -22.237 -20.555 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.258 -22.233 -24.316 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.524 -21.322 -22.823 1.00 63.21 H new ATOM 559 N ASN A 38 18.691 -26.793 -20.817 1.00 73.11 N ATOM 560 CA ASN A 38 17.496 -26.914 -19.990 1.00 10.42 C ATOM 561 C ASN A 38 16.527 -27.936 -20.579 1.00 21.43 C ATOM 562 O ASN A 38 15.371 -28.019 -20.168 1.00 31.21 O ATOM 563 CB ASN A 38 16.804 -25.557 -19.854 1.00 72.03 C ATOM 564 CG ASN A 38 15.911 -25.242 -21.040 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.712 -25.520 -21.019 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.494 -24.659 -22.081 1.00 44.21 N ATOM 0 H ASN A 38 18.505 -26.688 -21.814 1.00 73.11 H new ATOM 0 HA ASN A 38 17.802 -27.258 -19.002 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.209 -25.546 -18.941 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.558 -24.776 -19.753 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.944 -24.423 -22.907 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.491 -24.447 -22.054 1.00 44.21 H new ATOM 573 N ASN A 39 17.010 -28.710 -21.546 1.00 32.24 N ATOM 574 CA ASN A 39 16.187 -29.726 -22.192 1.00 20.50 C ATOM 575 C ASN A 39 15.016 -29.087 -22.933 1.00 23.03 C ATOM 576 O ASN A 39 14.007 -29.739 -23.200 1.00 14.24 O ATOM 577 CB ASN A 39 15.667 -30.725 -21.158 1.00 75.11 C ATOM 578 CG ASN A 39 15.473 -32.112 -21.740 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.869 -32.382 -22.874 1.00 63.34 O ATOM 580 ND2 ASN A 39 14.861 -32.999 -20.964 1.00 64.12 N ATOM 0 H ASN A 39 17.965 -28.653 -21.899 1.00 32.24 H new ATOM 0 HA ASN A 39 16.808 -30.254 -22.916 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.367 -30.779 -20.324 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.719 -30.367 -20.756 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.702 -33.948 -21.302 1.00 64.12 H new ATOM 0 HD22 ASN A 39 14.550 -32.731 -20.030 1.00 64.12 H new ATOM 587 N TRP A 40 15.159 -27.809 -23.263 1.00 1.42 N ATOM 588 CA TRP A 40 14.113 -27.082 -23.973 1.00 70.44 C ATOM 589 C TRP A 40 12.766 -27.245 -23.277 1.00 14.41 C ATOM 590 O TRP A 40 11.730 -27.369 -23.930 1.00 75.11 O ATOM 591 CB TRP A 40 14.016 -27.570 -25.420 1.00 13.40 C ATOM 592 CG TRP A 40 15.330 -27.558 -26.140 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.377 -28.413 -25.951 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.736 -26.642 -27.164 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.410 -28.086 -26.795 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.042 -27.004 -27.551 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.125 -25.555 -27.793 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.744 -26.314 -28.536 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.823 -24.872 -28.770 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.121 -25.253 -29.134 1.00 62.54 C ATOM 0 H TRP A 40 15.988 -27.255 -23.051 1.00 1.42 H new ATOM 0 HA TRP A 40 14.376 -26.024 -23.970 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.615 -28.583 -25.428 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.308 -26.942 -25.961 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.391 -29.227 -25.242 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.306 -28.570 -26.850 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.124 -25.254 -27.520 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.745 -26.606 -28.818 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.360 -24.029 -29.262 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.640 -24.698 -29.902 1.00 62.54 H new ATOM 611 N SER A 41 12.788 -27.245 -21.948 1.00 25.55 N ATOM 612 CA SER A 41 11.569 -27.397 -21.163 1.00 24.31 C ATOM 613 C SER A 41 11.248 -26.114 -20.403 1.00 73.12 C ATOM 614 O SER A 41 10.418 -26.108 -19.494 1.00 72.53 O ATOM 615 CB SER A 41 11.711 -28.563 -20.182 1.00 23.43 C ATOM 616 OG SER A 41 10.442 -29.067 -19.801 1.00 55.35 O ATOM 0 H SER A 41 13.637 -27.141 -21.392 1.00 25.55 H new ATOM 0 HA SER A 41 10.748 -27.607 -21.849 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.299 -29.358 -20.640 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.255 -28.234 -19.297 1.00 23.43 H new ATOM 0 HG SER A 41 9.869 -28.326 -19.512 1.00 55.35 H new ATOM 622 N THR A 42 11.914 -25.028 -20.782 1.00 74.23 N ATOM 623 CA THR A 42 11.702 -23.738 -20.136 1.00 14.13 C ATOM 624 C THR A 42 12.325 -22.608 -20.948 1.00 20.24 C ATOM 625 O THR A 42 13.348 -22.794 -21.608 1.00 53.41 O ATOM 626 CB THR A 42 12.292 -23.718 -18.714 1.00 54.43 C ATOM 627 OG1 THR A 42 12.037 -22.452 -18.095 1.00 52.32 O ATOM 628 CG2 THR A 42 13.791 -23.980 -18.745 1.00 23.45 C ATOM 0 H THR A 42 12.605 -25.016 -21.533 1.00 74.23 H new ATOM 0 HA THR A 42 10.624 -23.588 -20.076 1.00 14.13 H new ATOM 0 HB THR A 42 11.813 -24.508 -18.136 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.414 -22.448 -17.190 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.185 -23.961 -17.729 1.00 23.45 H new ATOM 0 HG22 THR A 42 13.980 -24.957 -19.189 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.283 -23.210 -19.339 1.00 23.45 H new ATOM 636 N LYS A 43 11.702 -21.436 -20.896 1.00 1.11 N ATOM 637 CA LYS A 43 12.196 -20.273 -21.626 1.00 64.11 C ATOM 638 C LYS A 43 12.895 -19.297 -20.684 1.00 3.12 C ATOM 639 O LYS A 43 12.279 -18.761 -19.763 1.00 72.24 O ATOM 640 CB LYS A 43 11.044 -19.569 -22.344 1.00 65.14 C ATOM 641 CG LYS A 43 11.157 -19.605 -23.858 1.00 42.20 C ATOM 642 CD LYS A 43 9.871 -19.150 -24.526 1.00 2.13 C ATOM 643 CE LYS A 43 8.994 -20.332 -24.911 1.00 63.12 C ATOM 644 NZ LYS A 43 8.910 -21.339 -23.817 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.854 -21.265 -20.356 1.00 1.11 H new ATOM 0 HA LYS A 43 12.919 -20.619 -22.365 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.104 -20.034 -22.047 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.003 -18.530 -22.016 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.980 -18.965 -24.177 1.00 42.20 H new ATOM 0 HG3 LYS A 43 11.397 -20.618 -24.181 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.322 -18.493 -23.851 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.109 -18.567 -25.416 1.00 2.13 H new ATOM 0 HE2 LYS A 43 7.993 -19.977 -25.156 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.393 -20.803 -25.809 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 8.238 -22.086 -24.084 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 9.848 -21.758 -23.658 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.585 -20.877 -22.944 1.00 4.54 H new ATOM 658 N ILE A 44 14.182 -19.071 -20.923 1.00 22.14 N ATOM 659 CA ILE A 44 14.963 -18.158 -20.097 1.00 54.22 C ATOM 660 C ILE A 44 14.751 -16.711 -20.529 1.00 22.01 C ATOM 661 O ILE A 44 14.812 -16.374 -21.711 1.00 31.33 O ATOM 662 CB ILE A 44 16.466 -18.486 -20.161 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.799 -19.643 -19.217 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.292 -17.256 -19.814 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.187 -20.961 -19.636 1.00 62.32 C ATOM 0 H ILE A 44 14.706 -19.507 -21.682 1.00 22.14 H new ATOM 0 HA ILE A 44 14.616 -18.284 -19.071 1.00 54.22 H new ATOM 0 HB ILE A 44 16.713 -18.790 -21.178 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.882 -19.756 -19.162 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.453 -19.394 -18.214 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.352 -17.504 -19.864 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.072 -16.458 -20.523 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.044 -16.924 -18.806 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.465 -21.735 -18.921 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.102 -20.866 -19.664 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.553 -21.233 -20.626 1.00 62.32 H new ATOM 677 N PRO A 45 14.497 -15.832 -19.548 1.00 72.14 N ATOM 678 CA PRO A 45 14.274 -14.406 -19.800 1.00 74.30 C ATOM 679 C PRO A 45 15.545 -13.690 -20.246 1.00 3.41 C ATOM 680 O PRO A 45 16.628 -13.939 -19.716 1.00 31.12 O ATOM 681 CB PRO A 45 13.809 -13.873 -18.443 1.00 2.44 C ATOM 682 CG PRO A 45 14.389 -14.817 -17.447 1.00 44.21 C ATOM 683 CD PRO A 45 14.410 -16.163 -18.115 1.00 20.33 C ATOM 0 HA PRO A 45 13.558 -14.242 -20.605 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.161 -12.855 -18.276 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.721 -13.849 -18.379 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.394 -14.510 -17.157 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.789 -14.842 -16.538 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.261 -16.760 -17.788 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.512 -16.738 -17.889 1.00 20.33 H new ATOM 691 N LEU A 46 15.404 -12.799 -21.222 1.00 64.14 N ATOM 692 CA LEU A 46 16.542 -12.046 -21.739 1.00 65.52 C ATOM 693 C LEU A 46 16.618 -10.665 -21.096 1.00 32.13 C ATOM 694 O LEU A 46 15.822 -9.779 -21.410 1.00 65.14 O ATOM 695 CB LEU A 46 16.440 -11.909 -23.259 1.00 61.33 C ATOM 696 CG LEU A 46 17.473 -12.687 -24.074 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.109 -14.162 -24.129 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.587 -12.110 -25.478 1.00 72.32 C ATOM 0 H LEU A 46 14.514 -12.581 -21.671 1.00 64.14 H new ATOM 0 HA LEU A 46 17.452 -12.593 -21.490 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.446 -12.232 -23.567 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.525 -10.853 -23.515 1.00 61.33 H new ATOM 0 HG LEU A 46 18.442 -12.592 -23.584 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.856 -14.700 -24.713 1.00 34.30 H new ATOM 0 HD12 LEU A 46 17.079 -14.567 -23.118 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.131 -14.278 -24.596 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.327 -12.675 -26.045 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.620 -12.174 -25.977 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.896 -11.066 -25.418 1.00 72.32 H new ATOM 710 N ILE A 47 17.581 -10.488 -20.198 1.00 14.12 N ATOM 711 CA ILE A 47 17.763 -9.214 -19.514 1.00 74.30 C ATOM 712 C ILE A 47 17.835 -8.061 -20.510 1.00 14.44 C ATOM 713 O ILE A 47 18.840 -7.883 -21.199 1.00 31.41 O ATOM 714 CB ILE A 47 19.040 -9.215 -18.653 1.00 0.44 C ATOM 715 CG1 ILE A 47 18.997 -10.358 -17.637 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.203 -7.877 -17.945 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.805 -10.296 -16.707 1.00 44.14 C ATOM 0 H ILE A 47 18.247 -11.211 -19.927 1.00 14.12 H new ATOM 0 HA ILE A 47 16.898 -9.077 -18.865 1.00 74.30 H new ATOM 0 HB ILE A 47 19.899 -9.367 -19.306 1.00 0.44 H new ATOM 0 HG12 ILE A 47 18.982 -11.308 -18.171 1.00 30.24 H new ATOM 0 HG13 ILE A 47 19.911 -10.341 -17.044 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.110 -7.893 -17.341 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.275 -7.080 -18.685 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.341 -7.698 -17.302 1.00 33.01 H new ATOM 0 HD11 ILE A 47 17.840 -11.137 -16.014 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.830 -9.362 -16.145 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.885 -10.344 -17.290 1.00 44.14 H new ATOM 729 N LYS A 48 16.764 -7.279 -20.579 1.00 15.21 N ATOM 730 CA LYS A 48 16.704 -6.140 -21.487 1.00 3.13 C ATOM 731 C LYS A 48 17.664 -5.040 -21.045 1.00 43.44 C ATOM 732 O LYS A 48 17.567 -4.532 -19.927 1.00 42.12 O ATOM 733 CB LYS A 48 15.278 -5.590 -21.556 1.00 15.03 C ATOM 734 CG LYS A 48 14.932 -4.960 -22.894 1.00 21.42 C ATOM 735 CD LYS A 48 13.431 -4.815 -23.071 1.00 24.00 C ATOM 736 CE LYS A 48 13.091 -3.978 -24.295 1.00 64.10 C ATOM 737 NZ LYS A 48 12.969 -2.532 -23.961 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.924 -7.413 -20.016 1.00 15.21 H new ATOM 0 HA LYS A 48 17.003 -6.482 -22.478 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.576 -6.398 -21.352 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.146 -4.847 -20.769 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.404 -3.980 -22.969 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.337 -5.571 -23.700 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.978 -5.802 -23.167 1.00 24.00 H new ATOM 0 HD3 LYS A 48 13.002 -4.352 -22.182 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.863 -4.112 -25.053 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.155 -4.331 -24.728 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.737 -1.995 -24.821 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 12.215 -2.401 -23.257 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.870 -2.188 -23.571 1.00 1.32 H new ATOM 751 N SER A 49 18.589 -4.678 -21.927 1.00 43.44 N ATOM 752 CA SER A 49 19.568 -3.639 -21.626 1.00 72.14 C ATOM 753 C SER A 49 19.311 -2.390 -22.463 1.00 60.13 C ATOM 754 O SER A 49 18.613 -2.442 -23.478 1.00 5.42 O ATOM 755 CB SER A 49 20.985 -4.156 -21.881 1.00 41.12 C ATOM 756 OG SER A 49 21.944 -3.379 -21.184 1.00 21.32 O ATOM 0 H SER A 49 18.682 -5.088 -22.856 1.00 43.44 H new ATOM 0 HA SER A 49 19.469 -3.375 -20.573 1.00 72.14 H new ATOM 0 HB2 SER A 49 21.058 -5.197 -21.567 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.198 -4.130 -22.950 1.00 41.12 H new ATOM 0 HG SER A 49 22.841 -3.730 -21.362 1.00 21.32 H new ATOM 762 N HIS A 50 19.878 -1.269 -22.033 1.00 41.43 N ATOM 763 CA HIS A 50 19.711 -0.006 -22.742 1.00 30.33 C ATOM 764 C HIS A 50 20.175 -0.131 -24.190 1.00 5.15 C ATOM 765 O HIS A 50 19.734 0.619 -25.060 1.00 32.14 O ATOM 766 CB HIS A 50 20.491 1.106 -22.039 1.00 41.03 C ATOM 767 CG HIS A 50 19.752 1.724 -20.893 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.061 2.913 -20.997 1.00 11.43 N ATOM 769 CD2 HIS A 50 19.597 1.310 -19.613 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.515 3.205 -19.829 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.824 2.248 -18.973 1.00 34.54 N ATOM 0 H HIS A 50 20.458 -1.209 -21.196 1.00 41.43 H new ATOM 0 HA HIS A 50 18.651 0.246 -22.738 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.436 0.702 -21.676 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.734 1.882 -22.764 1.00 41.03 H new ATOM 0 HD2 HIS A 50 20.005 0.410 -19.177 1.00 70.45 H new ATOM 0 HE1 HIS A 50 17.918 4.078 -19.612 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.536 2.211 -17.995 1.00 34.54 H new ATOM 779 N ASN A 51 21.067 -1.083 -24.441 1.00 15.24 N ATOM 780 CA ASN A 51 21.591 -1.305 -25.784 1.00 64.25 C ATOM 781 C ASN A 51 20.744 -2.328 -26.536 1.00 63.54 C ATOM 782 O ASN A 51 20.283 -2.069 -27.648 1.00 35.54 O ATOM 783 CB ASN A 51 23.043 -1.782 -25.714 1.00 63.32 C ATOM 784 CG ASN A 51 23.990 -0.688 -25.262 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.620 0.181 -24.472 1.00 43.11 O ATOM 786 ND2 ASN A 51 25.219 -0.724 -25.762 1.00 71.10 N ATOM 0 H ASN A 51 21.442 -1.713 -23.732 1.00 15.24 H new ATOM 0 HA ASN A 51 21.551 -0.359 -26.324 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.113 -2.626 -25.027 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.351 -2.143 -26.695 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.900 -0.013 -25.494 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.483 -1.463 -26.414 1.00 71.10 H new ATOM 793 N ASP A 52 20.542 -3.488 -25.921 1.00 2.33 N ATOM 794 CA ASP A 52 19.750 -4.549 -26.531 1.00 51.51 C ATOM 795 C ASP A 52 19.461 -5.659 -25.524 1.00 40.41 C ATOM 796 O ASP A 52 19.715 -5.509 -24.329 1.00 50.31 O ATOM 797 CB ASP A 52 20.476 -5.123 -27.748 1.00 20.42 C ATOM 798 CG ASP A 52 21.728 -5.887 -27.366 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.719 -5.241 -26.965 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 21.720 -7.132 -27.472 1.00 62.31 O ATOM 0 H ASP A 52 20.916 -3.717 -25.000 1.00 2.33 H new ATOM 0 HA ASP A 52 18.801 -4.120 -26.854 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.801 -5.785 -28.292 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.741 -4.312 -28.426 1.00 20.42 H new ATOM 805 N PHE A 53 18.930 -6.772 -26.017 1.00 23.22 N ATOM 806 CA PHE A 53 18.605 -7.907 -25.160 1.00 74.32 C ATOM 807 C PHE A 53 19.822 -8.807 -24.964 1.00 74.52 C ATOM 808 O PHE A 53 20.633 -8.982 -25.874 1.00 63.11 O ATOM 809 CB PHE A 53 17.452 -8.715 -25.762 1.00 20.02 C ATOM 810 CG PHE A 53 16.184 -7.925 -25.917 1.00 51.11 C ATOM 811 CD1 PHE A 53 16.008 -7.079 -27.000 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.169 -8.027 -24.980 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.842 -6.351 -27.146 1.00 34.33 C ATOM 814 CE2 PHE A 53 14.002 -7.302 -25.121 1.00 25.13 C ATOM 815 CZ PHE A 53 13.838 -6.462 -26.204 1.00 23.43 C ATOM 0 H PHE A 53 18.715 -6.913 -27.004 1.00 23.22 H new ATOM 0 HA PHE A 53 18.300 -7.520 -24.188 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.756 -9.095 -26.737 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.256 -9.581 -25.129 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.791 -6.987 -27.739 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.292 -8.681 -24.129 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.716 -5.696 -27.996 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.218 -7.392 -24.384 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.927 -5.893 -26.315 1.00 23.43 H new ATOM 825 N VAL A 54 19.944 -9.376 -23.769 1.00 60.01 N ATOM 826 CA VAL A 54 21.061 -10.257 -23.451 1.00 21.43 C ATOM 827 C VAL A 54 20.659 -11.304 -22.419 1.00 43.31 C ATOM 828 O VAL A 54 19.984 -10.996 -21.437 1.00 73.14 O ATOM 829 CB VAL A 54 22.268 -9.463 -22.918 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.405 -10.404 -22.549 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.726 -8.437 -23.943 1.00 4.03 C ATOM 0 H VAL A 54 19.282 -9.242 -23.005 1.00 60.01 H new ATOM 0 HA VAL A 54 21.344 -10.756 -24.378 1.00 21.43 H new ATOM 0 HB VAL A 54 21.961 -8.931 -22.018 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.249 -9.825 -22.174 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.068 -11.096 -21.777 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.713 -10.966 -23.431 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.580 -7.885 -23.549 1.00 4.03 H new ATOM 0 HG22 VAL A 54 23.016 -8.946 -24.863 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.912 -7.744 -24.153 1.00 4.03 H new ATOM 841 N ALA A 55 21.077 -12.545 -22.649 1.00 4.51 N ATOM 842 CA ALA A 55 20.764 -13.637 -21.737 1.00 54.01 C ATOM 843 C ALA A 55 21.997 -14.068 -20.950 1.00 32.03 C ATOM 844 O ALA A 55 23.120 -13.999 -21.451 1.00 42.01 O ATOM 845 CB ALA A 55 20.188 -14.817 -22.506 1.00 40.42 C ATOM 0 H ALA A 55 21.633 -12.818 -23.459 1.00 4.51 H new ATOM 0 HA ALA A 55 20.019 -13.281 -21.026 1.00 54.01 H new ATOM 0 HB1 ALA A 55 19.959 -15.626 -21.813 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.276 -14.508 -23.017 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.916 -15.163 -23.240 1.00 40.42 H new ATOM 851 N ILE A 56 21.780 -14.511 -19.717 1.00 34.40 N ATOM 852 CA ILE A 56 22.874 -14.953 -18.861 1.00 21.40 C ATOM 853 C ILE A 56 22.497 -16.217 -18.094 1.00 72.24 C ATOM 854 O ILE A 56 21.524 -16.231 -17.340 1.00 72.43 O ATOM 855 CB ILE A 56 23.282 -13.858 -17.857 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.594 -12.554 -18.592 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.480 -14.312 -17.037 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.794 -12.648 -19.507 1.00 74.44 C ATOM 0 H ILE A 56 20.857 -14.574 -19.288 1.00 34.40 H new ATOM 0 HA ILE A 56 23.719 -15.167 -19.515 1.00 21.40 H new ATOM 0 HB ILE A 56 22.449 -13.679 -17.177 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.723 -12.259 -19.178 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.767 -11.766 -17.859 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.757 -13.528 -16.332 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.223 -15.219 -16.489 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.320 -14.515 -17.702 1.00 41.55 H new ATOM 0 HD11 ILE A 56 24.956 -11.687 -19.995 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.676 -12.912 -18.924 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.616 -13.413 -20.263 1.00 74.44 H new ATOM 870 N LEU A 57 23.276 -17.275 -18.289 1.00 23.15 N ATOM 871 CA LEU A 57 23.026 -18.543 -17.615 1.00 22.42 C ATOM 872 C LEU A 57 24.316 -19.343 -17.461 1.00 52.54 C ATOM 873 O LEU A 57 25.111 -19.442 -18.395 1.00 60.35 O ATOM 874 CB LEU A 57 21.994 -19.363 -18.393 1.00 74.01 C ATOM 875 CG LEU A 57 21.953 -19.129 -19.904 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.476 -20.379 -20.626 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.055 -17.945 -20.235 1.00 20.50 C ATOM 0 H LEU A 57 24.086 -17.279 -18.909 1.00 23.15 H new ATOM 0 HA LEU A 57 22.634 -18.326 -16.621 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.190 -20.420 -18.214 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.006 -19.148 -17.985 1.00 74.01 H new ATOM 0 HG LEU A 57 22.963 -18.901 -20.244 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.454 -20.193 -21.700 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.157 -21.203 -20.415 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.475 -20.638 -20.282 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.037 -17.792 -21.314 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.044 -18.145 -19.880 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.440 -17.049 -19.748 1.00 20.50 H new ATOM 889 N ASP A 58 24.516 -19.911 -16.277 1.00 34.22 N ATOM 890 CA ASP A 58 25.708 -20.705 -16.001 1.00 0.11 C ATOM 891 C ASP A 58 25.642 -22.051 -16.716 1.00 63.43 C ATOM 892 O ASP A 58 24.888 -22.940 -16.318 1.00 41.24 O ATOM 893 CB ASP A 58 25.866 -20.920 -14.496 1.00 24.31 C ATOM 894 CG ASP A 58 24.543 -21.189 -13.806 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.631 -21.734 -14.463 1.00 2.41 O ATOM 896 OD2 ASP A 58 24.419 -20.855 -12.610 1.00 22.34 O1- ATOM 0 H ASP A 58 23.868 -19.837 -15.493 1.00 34.22 H new ATOM 0 HA ASP A 58 26.574 -20.158 -16.375 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.540 -21.758 -14.321 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.331 -20.039 -14.053 1.00 24.31 H new ATOM 901 N LEU A 59 26.434 -22.194 -17.772 1.00 33.22 N ATOM 902 CA LEU A 59 26.466 -23.431 -18.544 1.00 60.20 C ATOM 903 C LEU A 59 27.833 -24.100 -18.446 1.00 1.03 C ATOM 904 O LEU A 59 28.864 -23.443 -18.294 1.00 70.11 O ATOM 905 CB LEU A 59 26.127 -23.151 -20.009 1.00 32.04 C ATOM 906 CG LEU A 59 24.923 -22.243 -20.257 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.933 -21.720 -21.686 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.626 -22.985 -19.968 1.00 1.32 C ATOM 0 H LEU A 59 27.063 -21.468 -18.114 1.00 33.22 H new ATOM 0 HA LEU A 59 25.720 -24.108 -18.128 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.999 -22.702 -20.484 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.948 -24.103 -20.508 1.00 32.04 H new ATOM 0 HG LEU A 59 24.990 -21.391 -19.580 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.068 -21.075 -21.844 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.846 -21.151 -21.859 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.892 -22.559 -22.381 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.780 -22.323 -20.150 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.552 -23.856 -20.619 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.616 -23.309 -18.927 1.00 1.32 H new ATOM 920 N PRO A 60 27.846 -25.438 -18.534 1.00 53.42 N ATOM 921 CA PRO A 60 29.080 -26.225 -18.461 1.00 72.32 C ATOM 922 C PRO A 60 29.962 -26.037 -19.690 1.00 43.23 C ATOM 923 O PRO A 60 29.463 -25.891 -20.805 1.00 43.11 O ATOM 924 CB PRO A 60 28.577 -27.668 -18.380 1.00 45.22 C ATOM 925 CG PRO A 60 27.235 -27.638 -19.026 1.00 34.34 C ATOM 926 CD PRO A 60 26.655 -26.286 -18.715 1.00 31.23 C ATOM 0 HA PRO A 60 29.702 -25.928 -17.617 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.250 -28.352 -18.897 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.511 -28.007 -17.346 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.317 -27.789 -20.102 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.598 -28.434 -18.640 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.023 -25.924 -19.526 1.00 31.23 H new ATOM 0 HD3 PRO A 60 26.038 -26.310 -17.817 1.00 31.23 H new ATOM 934 N GLU A 61 31.275 -26.042 -19.479 1.00 34.34 N ATOM 935 CA GLU A 61 32.225 -25.871 -20.572 1.00 51.40 C ATOM 936 C GLU A 61 32.030 -26.947 -21.635 1.00 71.00 C ATOM 937 O GLU A 61 32.111 -28.141 -21.347 1.00 52.22 O ATOM 938 CB GLU A 61 33.659 -25.915 -20.041 1.00 14.52 C ATOM 939 CG GLU A 61 34.401 -24.597 -20.179 1.00 12.24 C ATOM 940 CD GLU A 61 34.536 -23.862 -18.859 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.205 -24.396 -17.949 1.00 62.21 O ATOM 942 OE2 GLU A 61 33.972 -22.754 -18.735 1.00 14.15 O1- ATOM 0 H GLU A 61 31.704 -26.163 -18.562 1.00 34.34 H new ATOM 0 HA GLU A 61 32.044 -24.898 -21.029 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.639 -26.203 -18.990 1.00 14.52 H new ATOM 0 HB3 GLU A 61 34.211 -26.690 -20.573 1.00 14.52 H new ATOM 0 HG2 GLU A 61 35.393 -24.784 -20.589 1.00 12.24 H new ATOM 0 HG3 GLU A 61 33.876 -23.962 -20.892 1.00 12.24 H new ATOM 949 N GLY A 62 31.772 -26.516 -22.866 1.00 75.14 N ATOM 950 CA GLY A 62 31.570 -27.455 -23.954 1.00 3.44 C ATOM 951 C GLY A 62 30.863 -26.827 -25.138 1.00 3.40 C ATOM 952 O GLY A 62 31.290 -25.789 -25.644 1.00 30.13 O ATOM 0 H GLY A 62 31.699 -25.533 -23.129 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.535 -27.846 -24.277 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.987 -28.303 -23.595 1.00 3.44 H new ATOM 956 N GLU A 63 29.780 -27.457 -25.582 1.00 44.04 N ATOM 957 CA GLU A 63 29.015 -26.952 -26.717 1.00 31.31 C ATOM 958 C GLU A 63 27.534 -27.292 -26.568 1.00 34.40 C ATOM 959 O GLU A 63 27.209 -28.418 -26.197 1.00 55.14 O ATOM 960 CB GLU A 63 29.555 -27.537 -28.024 1.00 71.45 C ATOM 961 CG GLU A 63 29.070 -26.804 -29.263 1.00 41.01 C ATOM 962 CD GLU A 63 29.307 -27.592 -30.537 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.485 -27.830 -30.877 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 28.314 -27.970 -31.193 1.00 13.32 O ATOM 0 H GLU A 63 29.413 -28.317 -25.174 1.00 44.04 H new ATOM 0 HA GLU A 63 29.121 -25.867 -26.742 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.644 -27.513 -28.001 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.261 -28.584 -28.093 1.00 71.45 H new ATOM 0 HG2 GLU A 63 28.005 -26.594 -29.163 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.579 -25.843 -29.335 1.00 41.01 H new ATOM 971 N HIS A 64 26.682 -26.321 -26.858 1.00 11.42 N ATOM 972 CA HIS A 64 25.247 -26.529 -26.752 1.00 43.11 C ATOM 973 C HIS A 64 24.530 -25.724 -27.838 1.00 20.11 C ATOM 974 O HIS A 64 25.107 -24.856 -28.493 1.00 22.41 O ATOM 975 CB HIS A 64 24.752 -26.196 -25.343 1.00 0.52 C ATOM 976 CG HIS A 64 25.859 -25.966 -24.341 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.198 -26.894 -23.373 1.00 23.24 N ATOM 978 CD2 HIS A 64 26.699 -24.904 -24.170 1.00 51.01 C ATOM 979 CE1 HIS A 64 27.198 -26.403 -22.656 1.00 5.41 C ATOM 980 NE2 HIS A 64 27.507 -25.170 -23.151 1.00 33.03 N ATOM 0 H HIS A 64 26.957 -25.388 -27.166 1.00 11.42 H new ATOM 0 HA HIS A 64 25.016 -27.581 -26.916 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.127 -25.304 -25.390 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.119 -27.010 -24.989 1.00 0.52 H new ATOM 0 HD1 HIS A 64 25.754 -27.802 -23.235 1.00 23.24 H new ATOM 0 HD2 HIS A 64 26.705 -24.001 -24.763 1.00 51.01 H new ATOM 0 HE1 HIS A 64 27.684 -26.893 -21.825 1.00 5.41 H new ATOM 988 N GLN A 65 23.250 -26.034 -28.013 1.00 1.42 N ATOM 989 CA GLN A 65 22.430 -25.356 -29.011 1.00 75.43 C ATOM 990 C GLN A 65 21.217 -24.698 -28.363 1.00 40.13 C ATOM 991 O GLN A 65 20.522 -25.312 -27.553 1.00 52.02 O ATOM 992 CB GLN A 65 21.975 -26.345 -30.085 1.00 73.02 C ATOM 993 CG GLN A 65 22.868 -26.360 -31.316 1.00 71.31 C ATOM 994 CD GLN A 65 23.783 -27.568 -31.359 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.511 -28.542 -32.060 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.876 -27.510 -30.606 1.00 53.03 N ATOM 0 H GLN A 65 22.758 -26.749 -27.478 1.00 1.42 H new ATOM 0 HA GLN A 65 23.037 -24.579 -29.476 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.945 -27.346 -29.656 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.957 -26.097 -30.387 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.246 -26.348 -32.211 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.471 -25.452 -31.334 1.00 71.31 H new ATOM 0 HE21 GLN A 65 25.062 -26.682 -30.040 1.00 53.03 H new ATOM 0 HE22 GLN A 65 25.529 -28.293 -30.594 1.00 53.03 H new ATOM 1005 N TYR A 66 20.967 -23.444 -28.724 1.00 4.15 N ATOM 1006 CA TYR A 66 19.838 -22.701 -28.176 1.00 72.34 C ATOM 1007 C TYR A 66 18.983 -22.108 -29.290 1.00 74.34 C ATOM 1008 O TYR A 66 19.242 -22.329 -30.473 1.00 1.32 O ATOM 1009 CB TYR A 66 20.335 -21.587 -27.252 1.00 10.24 C ATOM 1010 CG TYR A 66 21.171 -20.543 -27.956 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.486 -20.808 -28.323 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.649 -19.292 -28.255 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.254 -19.858 -28.966 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.409 -18.335 -28.900 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.711 -18.623 -29.254 1.00 22.23 C ATOM 1016 OH TYR A 66 23.471 -17.672 -29.894 1.00 12.33 O ATOM 0 H TYR A 66 21.531 -22.921 -29.394 1.00 4.15 H new ATOM 0 HA TYR A 66 19.224 -23.395 -27.602 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.476 -21.101 -26.789 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.923 -22.029 -26.448 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.914 -21.774 -28.101 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.631 -19.063 -27.979 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.274 -20.080 -29.242 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.986 -17.367 -29.126 1.00 2.40 H new ATOM 0 HH TYR A 66 22.895 -17.123 -30.465 1.00 12.33 H new ATOM 1026 N LYS A 67 17.960 -21.352 -28.904 1.00 53.20 N ATOM 1027 CA LYS A 67 17.065 -20.724 -29.869 1.00 62.12 C ATOM 1028 C LYS A 67 16.382 -19.504 -29.261 1.00 21.43 C ATOM 1029 O LYS A 67 16.025 -19.502 -28.082 1.00 63.05 O ATOM 1030 CB LYS A 67 16.013 -21.726 -30.347 1.00 52.15 C ATOM 1031 CG LYS A 67 15.080 -21.169 -31.408 1.00 4.31 C ATOM 1032 CD LYS A 67 15.727 -21.184 -32.783 1.00 75.43 C ATOM 1033 CE LYS A 67 14.823 -20.555 -33.832 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.693 -21.454 -34.199 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.730 -21.159 -27.929 1.00 53.20 H new ATOM 0 HA LYS A 67 17.660 -20.398 -30.722 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.517 -22.607 -30.745 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.422 -22.055 -29.492 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.162 -21.756 -31.431 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.800 -20.148 -31.148 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.674 -20.645 -32.747 1.00 75.43 H new ATOM 0 HD3 LYS A 67 15.956 -22.211 -33.067 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.429 -19.612 -33.454 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.407 -20.323 -34.723 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 12.919 -20.890 -34.604 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.017 -22.151 -34.899 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.353 -21.949 -33.350 1.00 33.33 H new ATOM 1048 N PHE A 68 16.199 -18.467 -30.074 1.00 0.13 N ATOM 1049 CA PHE A 68 15.556 -17.241 -29.616 1.00 34.41 C ATOM 1050 C PHE A 68 14.049 -17.299 -29.846 1.00 74.51 C ATOM 1051 O PHE A 68 13.576 -17.951 -30.777 1.00 43.04 O ATOM 1052 CB PHE A 68 16.148 -16.030 -30.339 1.00 21.54 C ATOM 1053 CG PHE A 68 17.509 -15.639 -29.838 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.764 -15.555 -28.479 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.533 -15.354 -30.728 1.00 24.44 C ATOM 1056 CE1 PHE A 68 19.015 -15.196 -28.015 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.787 -14.996 -30.269 1.00 64.40 C ATOM 1058 CZ PHE A 68 20.028 -14.915 -28.911 1.00 60.24 C ATOM 0 H PHE A 68 16.487 -18.452 -31.052 1.00 0.13 H new ATOM 0 HA PHE A 68 15.738 -17.142 -28.546 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.211 -16.248 -31.405 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.471 -15.183 -30.227 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.976 -15.773 -27.774 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.349 -15.412 -31.791 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.201 -15.135 -26.953 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.578 -14.780 -30.972 1.00 64.40 H new ATOM 0 HZ PHE A 68 21.006 -14.633 -28.551 1.00 60.24 H new ATOM 1068 N PHE A 69 13.300 -16.611 -28.990 1.00 64.40 N ATOM 1069 CA PHE A 69 11.845 -16.584 -29.099 1.00 63.41 C ATOM 1070 C PHE A 69 11.316 -15.159 -28.962 1.00 34.32 C ATOM 1071 O PHE A 69 11.135 -14.655 -27.854 1.00 62.44 O ATOM 1072 CB PHE A 69 11.216 -17.478 -28.027 1.00 5.13 C ATOM 1073 CG PHE A 69 9.715 -17.437 -28.020 1.00 23.30 C ATOM 1074 CD1 PHE A 69 8.982 -18.289 -28.830 1.00 42.11 C ATOM 1075 CD2 PHE A 69 9.038 -16.550 -27.200 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.600 -18.254 -28.825 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.656 -16.510 -27.190 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.936 -17.364 -28.003 1.00 3.22 C ATOM 0 H PHE A 69 13.676 -16.065 -28.214 1.00 64.40 H new ATOM 0 HA PHE A 69 11.572 -16.962 -30.084 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.543 -18.506 -28.184 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.585 -17.172 -27.048 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.496 -18.988 -29.473 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.596 -15.882 -26.561 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.040 -18.922 -29.463 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.140 -15.812 -26.547 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.856 -17.336 -27.996 1.00 3.22 H new ATOM 1088 N VAL A 70 11.072 -14.515 -30.099 1.00 51.23 N ATOM 1089 CA VAL A 70 10.563 -13.148 -30.108 1.00 53.12 C ATOM 1090 C VAL A 70 9.267 -13.049 -30.905 1.00 13.23 C ATOM 1091 O VAL A 70 9.036 -13.827 -31.831 1.00 23.10 O ATOM 1092 CB VAL A 70 11.594 -12.169 -30.701 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.149 -10.730 -30.487 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.967 -12.408 -30.091 1.00 41.35 C ATOM 0 H VAL A 70 11.218 -14.917 -31.025 1.00 51.23 H new ATOM 0 HA VAL A 70 10.369 -12.876 -29.070 1.00 53.12 H new ATOM 0 HB VAL A 70 11.663 -12.346 -31.774 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.890 -10.053 -30.912 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.188 -10.570 -30.976 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.050 -10.535 -29.419 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.683 -11.708 -30.521 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.917 -12.259 -29.012 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.286 -13.429 -30.302 1.00 41.35 H new ATOM 1104 N ASP A 71 8.427 -12.087 -30.541 1.00 3.15 N ATOM 1105 CA ASP A 71 7.155 -11.884 -31.223 1.00 54.03 C ATOM 1106 C ASP A 71 6.244 -13.096 -31.047 1.00 20.14 C ATOM 1107 O ASP A 71 5.532 -13.490 -31.969 1.00 62.44 O ATOM 1108 CB ASP A 71 7.386 -11.618 -32.712 1.00 64.34 C ATOM 1109 CG ASP A 71 8.607 -10.755 -32.962 1.00 14.24 C ATOM 1110 OD1 ASP A 71 8.522 -9.529 -32.742 1.00 63.53 O ATOM 1111 OD2 ASP A 71 9.648 -11.306 -33.378 1.00 51.33 O1- ATOM 0 H ASP A 71 8.604 -11.435 -29.777 1.00 3.15 H new ATOM 0 HA ASP A 71 6.668 -11.017 -30.778 1.00 54.03 H new ATOM 0 HB2 ASP A 71 7.503 -12.568 -33.234 1.00 64.34 H new ATOM 0 HB3 ASP A 71 6.507 -11.129 -33.132 1.00 64.34 H new ATOM 1116 N GLY A 72 6.274 -13.683 -29.854 1.00 2.30 N ATOM 1117 CA GLY A 72 5.448 -14.844 -29.578 1.00 30.24 C ATOM 1118 C GLY A 72 5.745 -16.001 -30.511 1.00 72.25 C ATOM 1119 O GLY A 72 4.858 -16.796 -30.825 1.00 21.11 O ATOM 0 H GLY A 72 6.855 -13.375 -29.074 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.606 -15.162 -28.548 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.397 -14.569 -29.669 1.00 30.24 H new ATOM 1123 N GLN A 73 6.993 -16.096 -30.956 1.00 45.23 N ATOM 1124 CA GLN A 73 7.403 -17.163 -31.861 1.00 20.11 C ATOM 1125 C GLN A 73 8.912 -17.381 -31.799 1.00 25.04 C ATOM 1126 O GLN A 73 9.657 -16.505 -31.361 1.00 32.35 O ATOM 1127 CB GLN A 73 6.981 -16.836 -33.294 1.00 33.33 C ATOM 1128 CG GLN A 73 7.696 -15.627 -33.877 1.00 51.12 C ATOM 1129 CD GLN A 73 7.436 -15.454 -35.361 1.00 31.44 C ATOM 1130 OE1 GLN A 73 6.522 -14.734 -35.762 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.240 -16.116 -36.184 1.00 32.52 N ATOM 0 H GLN A 73 7.738 -15.447 -30.705 1.00 45.23 H new ATOM 0 HA GLN A 73 6.909 -18.082 -31.545 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.173 -17.702 -33.927 1.00 33.33 H new ATOM 0 HB3 GLN A 73 5.906 -16.658 -33.316 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.374 -14.730 -33.349 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.768 -15.728 -33.709 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.985 -16.702 -35.807 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.113 -16.039 -37.193 1.00 32.52 H new ATOM 1140 N TRP A 74 9.353 -18.554 -32.239 1.00 23.22 N ATOM 1141 CA TRP A 74 10.773 -18.887 -32.233 1.00 12.20 C ATOM 1142 C TRP A 74 11.477 -18.291 -33.447 1.00 60.11 C ATOM 1143 O TRP A 74 11.166 -18.635 -34.587 1.00 24.22 O ATOM 1144 CB TRP A 74 10.962 -20.404 -32.211 1.00 50.12 C ATOM 1145 CG TRP A 74 10.543 -21.036 -30.919 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.366 -21.681 -30.665 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.298 -21.083 -29.704 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.344 -22.125 -29.365 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.518 -21.773 -28.754 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.558 -20.613 -29.325 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.957 -21.999 -27.452 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.993 -20.838 -28.032 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.195 -21.527 -27.110 1.00 52.42 C ATOM 0 H TRP A 74 8.748 -19.290 -32.604 1.00 23.22 H new ATOM 0 HA TRP A 74 11.217 -18.460 -31.334 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.389 -20.846 -33.026 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.011 -20.635 -32.397 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.570 -21.821 -31.381 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.577 -22.634 -28.926 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.181 -20.083 -30.030 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.343 -22.528 -26.738 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.964 -20.476 -27.728 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.564 -21.689 -26.108 1.00 52.42 H new ATOM 1164 N VAL A 75 12.426 -17.396 -33.195 1.00 42.22 N ATOM 1165 CA VAL A 75 13.176 -16.753 -34.269 1.00 53.15 C ATOM 1166 C VAL A 75 14.676 -16.953 -34.088 1.00 42.43 C ATOM 1167 O VAL A 75 15.128 -17.436 -33.049 1.00 15.11 O ATOM 1168 CB VAL A 75 12.874 -15.245 -34.338 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.388 -15.006 -34.557 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.354 -14.548 -33.075 1.00 33.52 C ATOM 0 H VAL A 75 12.694 -17.099 -32.257 1.00 42.22 H new ATOM 0 HA VAL A 75 12.861 -17.222 -35.201 1.00 53.15 H new ATOM 0 HB VAL A 75 13.413 -14.823 -35.186 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.195 -13.934 -34.603 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.079 -15.471 -35.493 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.824 -15.441 -33.732 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.133 -13.483 -33.141 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.845 -14.972 -32.210 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.430 -14.689 -32.968 1.00 33.52 H new ATOM 1180 N HIS A 76 15.444 -16.578 -35.106 1.00 54.12 N ATOM 1181 CA HIS A 76 16.895 -16.716 -35.059 1.00 10.02 C ATOM 1182 C HIS A 76 17.567 -15.695 -35.974 1.00 43.22 C ATOM 1183 O HIS A 76 16.953 -15.190 -36.913 1.00 33.44 O ATOM 1184 CB HIS A 76 17.309 -18.132 -35.464 1.00 62.13 C ATOM 1185 CG HIS A 76 17.138 -18.409 -36.926 1.00 63.23 C ATOM 1186 ND1 HIS A 76 16.131 -19.206 -37.429 1.00 33.14 N ATOM 1187 CD2 HIS A 76 17.854 -17.991 -37.996 1.00 1.42 C ATOM 1188 CE1 HIS A 76 16.235 -19.266 -38.744 1.00 52.22 C ATOM 1189 NE2 HIS A 76 17.273 -18.537 -39.114 1.00 14.42 N ATOM 0 H HIS A 76 15.086 -16.177 -35.973 1.00 54.12 H new ATOM 0 HA HIS A 76 17.220 -16.531 -34.035 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.353 -18.289 -35.192 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.720 -18.851 -34.895 1.00 62.13 H new ATOM 0 HD2 HIS A 76 18.721 -17.348 -37.974 1.00 1.42 H new ATOM 0 HE1 HIS A 76 15.582 -19.817 -39.405 1.00 52.22 H new ATOM 0 HE2 HIS A 76 17.591 -18.402 -40.074 1.00 14.42 H new ATOM 1197 N ASP A 77 18.831 -15.398 -35.692 1.00 61.11 N ATOM 1198 CA ASP A 77 19.586 -14.438 -36.488 1.00 41.41 C ATOM 1199 C ASP A 77 20.459 -15.152 -37.516 1.00 24.02 C ATOM 1200 O ASP A 77 21.151 -16.124 -37.209 1.00 23.04 O ATOM 1201 CB ASP A 77 20.454 -13.562 -35.584 1.00 44.44 C ATOM 1202 CG ASP A 77 20.609 -12.152 -36.118 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.411 -11.958 -37.056 1.00 34.33 O ATOM 1204 OD2 ASP A 77 19.928 -11.244 -35.600 1.00 10.11 O1- ATOM 0 H ASP A 77 19.354 -15.808 -34.918 1.00 61.11 H new ATOM 0 HA ASP A 77 18.875 -13.805 -37.018 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.012 -13.523 -34.588 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.439 -14.018 -35.479 1.00 44.44 H new ATOM 1209 N PRO A 78 20.427 -14.662 -38.764 1.00 15.43 N ATOM 1210 CA PRO A 78 21.209 -15.239 -39.861 1.00 4.43 C ATOM 1211 C PRO A 78 22.706 -14.993 -39.698 1.00 61.31 C ATOM 1212 O PRO A 78 23.528 -15.764 -40.191 1.00 23.50 O ATOM 1213 CB PRO A 78 20.679 -14.508 -41.097 1.00 61.03 C ATOM 1214 CG PRO A 78 20.154 -13.215 -40.576 1.00 70.11 C ATOM 1215 CD PRO A 78 19.625 -13.507 -39.200 1.00 31.15 C ATOM 0 HA PRO A 78 21.103 -16.323 -39.911 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.469 -14.348 -41.831 1.00 61.03 H new ATOM 0 HB3 PRO A 78 19.896 -15.083 -41.592 1.00 61.03 H new ATOM 0 HG2 PRO A 78 20.940 -12.461 -40.540 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.367 -12.825 -41.222 1.00 70.11 H new ATOM 0 HD2 PRO A 78 19.751 -12.655 -38.532 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.561 -13.741 -39.220 1.00 31.15 H new ATOM 1223 N SER A 79 23.051 -13.913 -39.004 1.00 34.01 N ATOM 1224 CA SER A 79 24.448 -13.564 -38.779 1.00 21.01 C ATOM 1225 C SER A 79 25.077 -14.483 -37.736 1.00 1.21 C ATOM 1226 O SER A 79 26.284 -14.720 -37.750 1.00 44.53 O ATOM 1227 CB SER A 79 24.567 -12.107 -38.329 1.00 32.35 C ATOM 1228 OG SER A 79 24.682 -11.237 -39.442 1.00 23.51 O ATOM 0 H SER A 79 22.382 -13.265 -38.588 1.00 34.01 H new ATOM 0 HA SER A 79 24.983 -13.691 -39.720 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.693 -11.833 -37.738 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.437 -11.993 -37.683 1.00 32.35 H new ATOM 0 HG SER A 79 24.755 -10.312 -39.128 1.00 23.51 H new ATOM 1234 N GLU A 80 24.248 -14.996 -36.832 1.00 41.40 N ATOM 1235 CA GLU A 80 24.722 -15.888 -35.781 1.00 72.34 C ATOM 1236 C GLU A 80 24.885 -17.312 -36.307 1.00 21.05 C ATOM 1237 O GLU A 80 24.323 -17.688 -37.336 1.00 74.53 O ATOM 1238 CB GLU A 80 23.754 -15.877 -34.597 1.00 2.30 C ATOM 1239 CG GLU A 80 24.047 -14.788 -33.579 1.00 10.13 C ATOM 1240 CD GLU A 80 24.826 -15.301 -32.384 1.00 3.42 C ATOM 1241 OE1 GLU A 80 26.072 -15.346 -32.463 1.00 15.10 O ATOM 1242 OE2 GLU A 80 24.191 -15.659 -31.370 1.00 21.22 O1- ATOM 0 H GLU A 80 23.246 -14.809 -36.807 1.00 41.40 H new ATOM 0 HA GLU A 80 25.696 -15.529 -35.448 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.738 -15.749 -34.971 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.791 -16.846 -34.100 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.611 -13.989 -34.060 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.108 -14.354 -33.236 1.00 10.13 H new ATOM 1249 N PRO A 81 25.672 -18.122 -35.586 1.00 13.13 N ATOM 1250 CA PRO A 81 25.928 -19.516 -35.959 1.00 34.44 C ATOM 1251 C PRO A 81 24.696 -20.398 -35.786 1.00 52.34 C ATOM 1252 O PRO A 81 24.506 -21.018 -34.740 1.00 32.21 O ATOM 1253 CB PRO A 81 27.033 -19.946 -34.992 1.00 71.33 C ATOM 1254 CG PRO A 81 26.871 -19.053 -33.809 1.00 70.53 C ATOM 1255 CD PRO A 81 26.374 -17.740 -34.348 1.00 61.31 C ATOM 0 HA PRO A 81 26.202 -19.612 -37.010 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.929 -20.995 -34.713 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.019 -19.832 -35.442 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.164 -19.475 -33.095 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.817 -18.926 -33.283 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.706 -17.244 -33.644 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.195 -17.051 -34.548 1.00 61.31 H new ATOM 1263 N VAL A 82 23.861 -20.449 -36.818 1.00 53.33 N ATOM 1264 CA VAL A 82 22.647 -21.256 -36.781 1.00 75.02 C ATOM 1265 C VAL A 82 22.826 -22.554 -37.560 1.00 72.11 C ATOM 1266 O VAL A 82 23.747 -22.685 -38.368 1.00 30.20 O ATOM 1267 CB VAL A 82 21.443 -20.487 -37.357 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.167 -19.236 -36.537 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.685 -20.134 -38.817 1.00 55.33 C ATOM 0 H VAL A 82 24.003 -19.941 -37.691 1.00 53.33 H new ATOM 0 HA VAL A 82 22.453 -21.487 -35.734 1.00 75.02 H new ATOM 0 HB VAL A 82 20.564 -21.130 -37.303 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.313 -18.706 -36.959 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.947 -19.517 -35.507 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.043 -18.587 -36.557 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.824 -19.591 -39.208 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.575 -19.510 -38.898 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.829 -21.048 -39.393 1.00 55.33 H new ATOM 1279 N VAL A 83 21.941 -23.514 -37.312 1.00 45.51 N ATOM 1280 CA VAL A 83 22.000 -24.803 -37.992 1.00 23.24 C ATOM 1281 C VAL A 83 20.631 -25.474 -38.016 1.00 60.32 C ATOM 1282 O VAL A 83 19.875 -25.406 -37.046 1.00 51.55 O ATOM 1283 CB VAL A 83 23.011 -25.748 -37.316 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.610 -26.014 -35.872 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.125 -27.050 -38.094 1.00 63.11 C ATOM 0 H VAL A 83 21.174 -23.424 -36.645 1.00 45.51 H new ATOM 0 HA VAL A 83 22.324 -24.608 -39.014 1.00 23.24 H new ATOM 0 HB VAL A 83 23.988 -25.265 -37.314 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.336 -26.684 -35.410 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.584 -25.073 -35.322 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.623 -26.476 -35.848 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.844 -27.706 -37.602 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.152 -27.539 -38.129 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.462 -26.839 -39.109 1.00 63.11 H new ATOM 1377 N ILE A 90 15.408 -24.511 -37.475 1.00 10.10 N ATOM 1378 CA ILE A 90 16.658 -23.767 -37.372 1.00 62.35 C ATOM 1379 C ILE A 90 16.909 -23.310 -35.939 1.00 75.12 C ATOM 1380 O ILE A 90 16.021 -22.763 -35.286 1.00 35.51 O ATOM 1381 CB ILE A 90 16.658 -22.537 -38.298 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.258 -22.941 -39.719 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.027 -21.873 -38.296 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.256 -23.860 -40.389 1.00 52.12 C ATOM 0 HA ILE A 90 17.455 -24.444 -37.680 1.00 62.35 H new ATOM 0 HB ILE A 90 15.927 -21.820 -37.925 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.286 -23.434 -39.688 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.141 -22.042 -40.324 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.011 -21.005 -38.955 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.276 -21.555 -37.283 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.776 -22.582 -38.648 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.908 -24.105 -41.392 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.224 -23.362 -40.452 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.356 -24.775 -39.806 1.00 52.12 H new ATOM 1396 N ASN A 91 18.127 -23.537 -35.456 1.00 74.31 N ATOM 1397 CA ASN A 91 18.495 -23.148 -34.099 1.00 40.23 C ATOM 1398 C ASN A 91 19.898 -22.549 -34.068 1.00 12.32 C ATOM 1399 O ASN A 91 20.687 -22.743 -34.993 1.00 61.32 O ATOM 1400 CB ASN A 91 18.423 -24.355 -33.163 1.00 75.11 C ATOM 1401 CG ASN A 91 18.842 -25.643 -33.845 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.121 -26.176 -34.688 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.014 -26.150 -33.481 1.00 13.21 N ATOM 0 H ASN A 91 18.875 -23.988 -35.983 1.00 74.31 H new ATOM 0 HA ASN A 91 17.788 -22.391 -33.759 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.064 -24.180 -32.299 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.405 -24.460 -32.788 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.349 -27.015 -33.905 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.579 -25.674 -32.778 1.00 13.21 H new ATOM 1410 N ASN A 92 20.202 -21.823 -32.998 1.00 4.32 N ATOM 1411 CA ASN A 92 21.510 -21.197 -32.845 1.00 54.51 C ATOM 1412 C ASN A 92 22.550 -22.213 -32.382 1.00 33.33 C ATOM 1413 O ASN A 92 22.244 -23.391 -32.201 1.00 14.13 O ATOM 1414 CB ASN A 92 21.432 -20.039 -31.847 1.00 61.45 C ATOM 1415 CG ASN A 92 20.692 -18.840 -32.409 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.562 -18.552 -32.012 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.326 -18.136 -33.338 1.00 23.44 N ATOM 0 H ASN A 92 19.560 -21.653 -32.224 1.00 4.32 H new ATOM 0 HA ASN A 92 21.815 -20.810 -33.817 1.00 54.51 H new ATOM 0 HB2 ASN A 92 20.932 -20.378 -30.939 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.441 -19.739 -31.563 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.878 -17.319 -33.754 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.262 -18.411 -33.637 1.00 23.44 H new ATOM 1424 N LEU A 93 23.780 -21.748 -32.193 1.00 32.05 N ATOM 1425 CA LEU A 93 24.866 -22.615 -31.750 1.00 34.14 C ATOM 1426 C LEU A 93 25.807 -21.872 -30.809 1.00 2.14 C ATOM 1427 O LEU A 93 26.323 -20.805 -31.145 1.00 5.21 O ATOM 1428 CB LEU A 93 25.645 -23.146 -32.955 1.00 74.14 C ATOM 1429 CG LEU A 93 26.868 -24.007 -32.637 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.500 -25.121 -31.670 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.463 -24.580 -33.915 1.00 72.43 C ATOM 0 H LEU A 93 24.050 -20.775 -32.340 1.00 32.05 H new ATOM 0 HA LEU A 93 24.430 -23.454 -31.209 1.00 34.14 H new ATOM 0 HB2 LEU A 93 24.964 -23.731 -33.573 1.00 74.14 H new ATOM 0 HB3 LEU A 93 25.970 -22.296 -33.555 1.00 74.14 H new ATOM 0 HG LEU A 93 27.619 -23.376 -32.162 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.383 -25.723 -31.456 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.122 -24.689 -30.744 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.731 -25.751 -32.117 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.332 -25.190 -33.670 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.718 -25.196 -34.419 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.765 -23.765 -34.573 1.00 72.43 H new ATOM 1443 N ILE A 94 26.028 -22.442 -29.629 1.00 14.30 N ATOM 1444 CA ILE A 94 26.910 -21.835 -28.640 1.00 21.03 C ATOM 1445 C ILE A 94 27.995 -22.810 -28.199 1.00 2.32 C ATOM 1446 O ILE A 94 27.718 -23.974 -27.905 1.00 25.24 O ATOM 1447 CB ILE A 94 26.127 -21.361 -27.402 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.085 -20.805 -26.347 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.303 -22.504 -26.827 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.518 -19.636 -25.572 1.00 45.44 C ATOM 0 H ILE A 94 25.608 -23.324 -29.335 1.00 14.30 H new ATOM 0 HA ILE A 94 27.373 -20.972 -29.118 1.00 21.03 H new ATOM 0 HB ILE A 94 25.447 -20.564 -27.704 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.346 -21.601 -25.649 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.009 -20.493 -26.835 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.755 -22.153 -25.952 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.598 -22.858 -27.579 1.00 53.44 H new ATOM 0 HG23 ILE A 94 25.965 -23.320 -26.537 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.251 -19.293 -24.842 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.283 -18.823 -26.259 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.610 -19.948 -25.055 1.00 45.44 H new ATOM 1462 N HIS A 95 29.234 -22.329 -28.151 1.00 34.15 N ATOM 1463 CA HIS A 95 30.362 -23.158 -27.743 1.00 64.32 C ATOM 1464 C HIS A 95 31.106 -22.524 -26.571 1.00 64.02 C ATOM 1465 O HIS A 95 31.832 -21.545 -26.739 1.00 35.41 O ATOM 1466 CB HIS A 95 31.319 -23.368 -28.915 1.00 24.45 C ATOM 1467 CG HIS A 95 32.355 -24.420 -28.662 1.00 31.14 C ATOM 1468 ND1 HIS A 95 33.217 -24.383 -27.587 1.00 4.01 N ATOM 1469 CD2 HIS A 95 32.664 -25.543 -29.352 1.00 34.13 C ATOM 1470 CE1 HIS A 95 34.013 -25.437 -27.627 1.00 5.54 C ATOM 1471 NE2 HIS A 95 33.697 -26.157 -28.688 1.00 74.23 N ATOM 0 H HIS A 95 29.482 -21.369 -28.390 1.00 34.15 H new ATOM 0 HA HIS A 95 29.973 -24.125 -27.424 1.00 64.32 H new ATOM 0 HB2 HIS A 95 30.743 -23.642 -29.799 1.00 24.45 H new ATOM 0 HB3 HIS A 95 31.818 -22.425 -29.139 1.00 24.45 H new ATOM 0 HD2 HIS A 95 32.187 -25.891 -30.256 1.00 34.13 H new ATOM 0 HE1 HIS A 95 34.790 -25.670 -26.914 1.00 5.54 H new ATOM 0 HE2 HIS A 95 34.147 -27.028 -28.969 1.00 74.23 H new ATOM 1479 N VAL A 96 30.919 -23.090 -25.383 1.00 71.10 N ATOM 1480 CA VAL A 96 31.572 -22.580 -24.182 1.00 11.24 C ATOM 1481 C VAL A 96 32.961 -23.186 -24.014 1.00 23.32 C ATOM 1482 O VAL A 96 33.190 -24.347 -24.353 1.00 52.24 O ATOM 1483 CB VAL A 96 30.739 -22.876 -22.921 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.434 -22.331 -21.682 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.340 -22.293 -23.058 1.00 41.02 C ATOM 0 H VAL A 96 30.321 -23.901 -25.226 1.00 71.10 H new ATOM 0 HA VAL A 96 31.661 -21.500 -24.304 1.00 11.24 H new ATOM 0 HB VAL A 96 30.648 -23.957 -22.812 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.831 -22.549 -20.801 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.412 -22.800 -21.578 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.557 -21.252 -21.779 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.765 -22.511 -22.158 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.407 -21.213 -23.192 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.844 -22.736 -23.922 1.00 41.02 H new