USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 675 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -29:sc= 1.05 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.0176 (180deg=-0.211) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00502 X(o=-0.005,f=-0.49) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0217 (180deg=-0.236) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 134:sc= -0.729 (180deg=-2.53!) USER MOD Single : A 55 MET CE :methyl 175:sc= 0 (180deg=-0.00365) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 68 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.71) USER MOD Single : A 78 SER OG : rot -148:sc= 0.0657 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -127:sc= -0.199 (180deg=-0.696) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -170:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= -0.294 (180deg=-0.459) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.16) USER MOD Single : A 107 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 15.127 -23.881 -20.454 1.00 3.51 N ATOM 257 CA ALA A 17 15.895 -22.754 -20.970 1.00 61.21 C ATOM 258 C ALA A 17 14.982 -21.718 -21.616 1.00 42.51 C ATOM 259 O ALA A 17 13.854 -22.024 -22.002 1.00 40.24 O ATOM 260 CB ALA A 17 16.936 -23.239 -21.968 1.00 43.53 C ATOM 0 HA ALA A 17 16.405 -22.278 -20.132 1.00 61.21 H new ATOM 0 HB1 ALA A 17 17.502 -22.388 -22.346 1.00 43.53 H new ATOM 0 HB2 ALA A 17 17.614 -23.937 -21.476 1.00 43.53 H new ATOM 0 HB3 ALA A 17 16.438 -23.741 -22.798 1.00 43.53 H new ATOM 266 N PHE A 18 15.477 -20.489 -21.730 1.00 32.41 N ATOM 267 CA PHE A 18 14.705 -19.407 -22.328 1.00 53.33 C ATOM 268 C PHE A 18 15.591 -18.527 -23.206 1.00 33.31 C ATOM 269 O PHE A 18 16.796 -18.416 -22.978 1.00 71.12 O ATOM 270 CB PHE A 18 14.045 -18.559 -21.238 1.00 63.14 C ATOM 271 CG PHE A 18 13.242 -19.364 -20.257 1.00 51.21 C ATOM 272 CD1 PHE A 18 13.754 -19.667 -19.006 1.00 62.30 C ATOM 273 CD2 PHE A 18 11.975 -19.817 -20.586 1.00 34.20 C ATOM 274 CE1 PHE A 18 13.017 -20.407 -18.100 1.00 64.34 C ATOM 275 CE2 PHE A 18 11.233 -20.557 -19.684 1.00 61.25 C ATOM 276 CZ PHE A 18 11.756 -20.854 -18.441 1.00 15.43 C ATOM 0 H PHE A 18 16.409 -20.219 -21.416 1.00 32.41 H new ATOM 0 HA PHE A 18 13.930 -19.850 -22.953 1.00 53.33 H new ATOM 0 HB2 PHE A 18 14.817 -18.009 -20.699 1.00 63.14 H new ATOM 0 HB3 PHE A 18 13.396 -17.820 -21.707 1.00 63.14 H new ATOM 0 HD1 PHE A 18 14.741 -19.321 -18.735 1.00 62.30 H new ATOM 0 HD2 PHE A 18 11.562 -19.590 -21.558 1.00 34.20 H new ATOM 0 HE1 PHE A 18 13.427 -20.635 -17.127 1.00 64.34 H new ATOM 0 HE2 PHE A 18 10.245 -20.902 -19.951 1.00 61.25 H new ATOM 0 HZ PHE A 18 11.179 -21.435 -17.737 1.00 15.43 H new ATOM 286 N THR A 19 14.985 -17.904 -24.212 1.00 12.23 N ATOM 287 CA THR A 19 15.717 -17.037 -25.126 1.00 4.33 C ATOM 288 C THR A 19 14.778 -16.072 -25.841 1.00 31.44 C ATOM 289 O THR A 19 13.697 -16.459 -26.286 1.00 42.45 O ATOM 290 CB THR A 19 16.492 -17.855 -26.176 1.00 50.54 C ATOM 291 OG1 THR A 19 15.778 -19.057 -26.485 1.00 41.21 O ATOM 292 CG2 THR A 19 17.885 -18.201 -25.673 1.00 41.00 C ATOM 0 H THR A 19 13.988 -17.984 -24.414 1.00 12.23 H new ATOM 0 HA THR A 19 16.426 -16.469 -24.523 1.00 4.33 H new ATOM 0 HB THR A 19 16.589 -17.249 -27.077 1.00 50.54 H new ATOM 0 HG1 THR A 19 16.276 -19.571 -27.155 1.00 41.21 H new ATOM 0 HG21 THR A 19 18.413 -18.779 -26.432 1.00 41.00 H new ATOM 0 HG22 THR A 19 18.436 -17.283 -25.467 1.00 41.00 H new ATOM 0 HG23 THR A 19 17.806 -18.789 -24.759 1.00 41.00 H new ATOM 300 N PHE A 20 15.196 -14.816 -25.947 1.00 44.42 N ATOM 301 CA PHE A 20 14.391 -13.795 -26.608 1.00 22.11 C ATOM 302 C PHE A 20 14.284 -14.072 -28.105 1.00 15.24 C ATOM 303 O PHE A 20 15.282 -14.345 -28.771 1.00 63.32 O ATOM 304 CB PHE A 20 14.996 -12.409 -26.376 1.00 42.13 C ATOM 305 CG PHE A 20 14.761 -11.876 -24.992 1.00 11.30 C ATOM 306 CD1 PHE A 20 13.479 -11.804 -24.472 1.00 12.34 C ATOM 307 CD2 PHE A 20 15.822 -11.446 -24.211 1.00 71.13 C ATOM 308 CE1 PHE A 20 13.259 -11.314 -23.198 1.00 32.01 C ATOM 309 CE2 PHE A 20 15.608 -10.956 -22.937 1.00 1.11 C ATOM 310 CZ PHE A 20 14.325 -10.889 -22.430 1.00 51.40 C ATOM 0 H PHE A 20 16.088 -14.480 -25.584 1.00 44.42 H new ATOM 0 HA PHE A 20 13.390 -13.823 -26.179 1.00 22.11 H new ATOM 0 HB2 PHE A 20 16.069 -12.454 -26.562 1.00 42.13 H new ATOM 0 HB3 PHE A 20 14.576 -11.712 -27.101 1.00 42.13 H new ATOM 0 HD1 PHE A 20 12.642 -12.134 -25.069 1.00 12.34 H new ATOM 0 HD2 PHE A 20 16.827 -11.494 -24.603 1.00 71.13 H new ATOM 0 HE1 PHE A 20 12.255 -11.264 -22.804 1.00 32.01 H new ATOM 0 HE2 PHE A 20 16.444 -10.626 -22.338 1.00 1.11 H new ATOM 0 HZ PHE A 20 14.156 -10.505 -21.435 1.00 51.40 H new ATOM 320 N THR A 21 13.063 -14.000 -28.628 1.00 3.44 N ATOM 321 CA THR A 21 12.823 -14.242 -30.044 1.00 65.05 C ATOM 322 C THR A 21 12.219 -13.015 -30.718 1.00 31.24 C ATOM 323 O THR A 21 12.523 -12.714 -31.872 1.00 1.00 O ATOM 324 CB THR A 21 11.885 -15.445 -30.258 1.00 25.13 C ATOM 325 OG1 THR A 21 10.585 -15.151 -29.736 1.00 11.23 O ATOM 326 CG2 THR A 21 12.439 -16.690 -29.581 1.00 4.21 C ATOM 0 H THR A 21 12.225 -13.776 -28.091 1.00 3.44 H new ATOM 0 HA THR A 21 13.791 -14.461 -30.495 1.00 65.05 H new ATOM 0 HB THR A 21 11.812 -15.635 -31.329 1.00 25.13 H new ATOM 0 HG1 THR A 21 10.667 -14.521 -28.990 1.00 11.23 H new ATOM 0 HG21 THR A 21 11.760 -17.526 -29.746 1.00 4.21 H new ATOM 0 HG22 THR A 21 13.416 -16.928 -30.001 1.00 4.21 H new ATOM 0 HG23 THR A 21 12.538 -16.509 -28.511 1.00 4.21 H new ATOM 334 N LYS A 22 11.361 -12.309 -29.989 1.00 50.01 N ATOM 335 CA LYS A 22 10.715 -11.112 -30.514 1.00 3.42 C ATOM 336 C LYS A 22 11.118 -9.880 -29.710 1.00 14.45 C ATOM 337 O LYS A 22 10.654 -9.682 -28.586 1.00 23.11 O ATOM 338 CB LYS A 22 9.194 -11.275 -30.489 1.00 71.33 C ATOM 339 CG LYS A 22 8.464 -10.312 -31.409 1.00 74.44 C ATOM 340 CD LYS A 22 8.357 -10.863 -32.821 1.00 75.24 C ATOM 341 CE LYS A 22 7.211 -11.856 -32.947 1.00 25.51 C ATOM 342 NZ LYS A 22 5.884 -11.185 -32.875 1.00 3.04 N ATOM 0 H LYS A 22 11.097 -12.545 -29.033 1.00 50.01 H new ATOM 0 HA LYS A 22 11.042 -10.975 -31.545 1.00 3.42 H new ATOM 0 HB2 LYS A 22 8.942 -12.297 -30.772 1.00 71.33 H new ATOM 0 HB3 LYS A 22 8.838 -11.130 -29.469 1.00 71.33 H new ATOM 0 HG2 LYS A 22 7.466 -10.118 -31.016 1.00 74.44 H new ATOM 0 HG3 LYS A 22 8.990 -9.357 -31.429 1.00 74.44 H new ATOM 0 HD2 LYS A 22 8.207 -10.042 -33.523 1.00 75.24 H new ATOM 0 HD3 LYS A 22 9.293 -11.350 -33.095 1.00 75.24 H new ATOM 0 HE2 LYS A 22 7.296 -12.391 -33.893 1.00 25.51 H new ATOM 0 HE3 LYS A 22 7.286 -12.599 -32.153 1.00 25.51 H new ATOM 0 HZ1 LYS A 22 5.149 -11.830 -33.229 1.00 3.04 H new ATOM 0 HZ2 LYS A 22 5.676 -10.932 -31.888 1.00 3.04 H new ATOM 0 HZ3 LYS A 22 5.898 -10.324 -33.458 1.00 3.04 H new ATOM 356 N ILE A 23 11.980 -9.054 -30.292 1.00 64.13 N ATOM 357 CA ILE A 23 12.443 -7.841 -29.630 1.00 21.15 C ATOM 358 C ILE A 23 11.270 -6.965 -29.205 1.00 54.20 C ATOM 359 O ILE A 23 10.342 -6.711 -29.974 1.00 42.10 O ATOM 360 CB ILE A 23 13.377 -7.023 -30.541 1.00 11.12 C ATOM 361 CG1 ILE A 23 14.560 -7.880 -30.997 1.00 12.23 C ATOM 362 CG2 ILE A 23 13.866 -5.778 -29.817 1.00 0.44 C ATOM 363 CD1 ILE A 23 15.444 -8.343 -29.860 1.00 72.11 C ATOM 0 H ILE A 23 12.372 -9.203 -31.222 1.00 64.13 H new ATOM 0 HA ILE A 23 12.997 -8.156 -28.746 1.00 21.15 H new ATOM 0 HB ILE A 23 12.818 -6.711 -31.423 1.00 11.12 H new ATOM 0 HG12 ILE A 23 14.182 -8.752 -31.531 1.00 12.23 H new ATOM 0 HG13 ILE A 23 15.161 -7.309 -31.704 1.00 12.23 H new ATOM 0 HG21 ILE A 23 14.525 -5.210 -30.474 1.00 0.44 H new ATOM 0 HG22 ILE A 23 13.012 -5.161 -29.538 1.00 0.44 H new ATOM 0 HG23 ILE A 23 14.412 -6.070 -28.920 1.00 0.44 H new ATOM 0 HD11 ILE A 23 16.262 -8.945 -30.257 1.00 72.11 H new ATOM 0 HD12 ILE A 23 15.851 -7.476 -29.339 1.00 72.11 H new ATOM 0 HD13 ILE A 23 14.857 -8.942 -29.164 1.00 72.11 H new ATOM 375 N PRO A 24 11.309 -6.489 -27.952 1.00 5.14 N ATOM 376 CA PRO A 24 10.259 -5.630 -27.397 1.00 50.12 C ATOM 377 C PRO A 24 10.252 -4.242 -28.028 1.00 51.14 C ATOM 378 O PRO A 24 11.306 -3.677 -28.319 1.00 54.33 O ATOM 379 CB PRO A 24 10.621 -5.540 -25.913 1.00 32.44 C ATOM 380 CG PRO A 24 12.089 -5.786 -25.865 1.00 63.50 C ATOM 381 CD PRO A 24 12.384 -6.752 -26.979 1.00 74.33 C ATOM 0 HA PRO A 24 9.263 -6.032 -27.583 1.00 50.12 H new ATOM 0 HB2 PRO A 24 10.370 -4.562 -25.503 1.00 32.44 H new ATOM 0 HB3 PRO A 24 10.076 -6.280 -25.327 1.00 32.44 H new ATOM 0 HG2 PRO A 24 12.645 -4.858 -25.996 1.00 63.50 H new ATOM 0 HG3 PRO A 24 12.384 -6.200 -24.901 1.00 63.50 H new ATOM 0 HD2 PRO A 24 13.369 -6.578 -27.412 1.00 74.33 H new ATOM 0 HD3 PRO A 24 12.367 -7.785 -26.631 1.00 74.33 H new ATOM 389 N ALA A 25 9.057 -3.698 -28.237 1.00 45.21 N ATOM 390 CA ALA A 25 8.914 -2.375 -28.833 1.00 20.22 C ATOM 391 C ALA A 25 7.497 -1.843 -28.652 1.00 54.41 C ATOM 392 O ALA A 25 6.530 -2.462 -29.096 1.00 4.13 O ATOM 393 CB ALA A 25 9.279 -2.419 -30.309 1.00 42.12 C ATOM 0 H ALA A 25 8.175 -4.153 -28.003 1.00 45.21 H new ATOM 0 HA ALA A 25 9.597 -1.697 -28.322 1.00 20.22 H new ATOM 0 HB1 ALA A 25 9.168 -1.425 -30.741 1.00 42.12 H new ATOM 0 HB2 ALA A 25 10.312 -2.749 -30.419 1.00 42.12 H new ATOM 0 HB3 ALA A 25 8.619 -3.115 -30.826 1.00 42.12 H new ATOM 399 N GLU A 26 7.381 -0.691 -27.997 1.00 71.43 N ATOM 400 CA GLU A 26 6.080 -0.077 -27.758 1.00 23.14 C ATOM 401 C GLU A 26 5.484 0.458 -29.056 1.00 51.51 C ATOM 402 O GLU A 26 6.209 0.828 -29.980 1.00 51.24 O ATOM 403 CB GLU A 26 6.207 1.055 -26.736 1.00 52.34 C ATOM 404 CG GLU A 26 5.015 1.167 -25.800 1.00 62.33 C ATOM 405 CD GLU A 26 5.016 2.458 -25.006 1.00 1.22 C ATOM 406 OE1 GLU A 26 5.309 3.518 -25.598 1.00 52.12 O ATOM 407 OE2 GLU A 26 4.725 2.409 -23.793 1.00 13.53 O ATOM 0 H GLU A 26 8.171 -0.165 -27.623 1.00 71.43 H new ATOM 0 HA GLU A 26 5.412 -0.842 -27.361 1.00 23.14 H new ATOM 0 HB2 GLU A 26 7.109 0.900 -26.145 1.00 52.34 H new ATOM 0 HB3 GLU A 26 6.332 1.999 -27.266 1.00 52.34 H new ATOM 0 HG2 GLU A 26 4.095 1.103 -26.381 1.00 62.33 H new ATOM 0 HG3 GLU A 26 5.018 0.322 -25.112 1.00 62.33 H new ATOM 414 N THR A 27 4.156 0.497 -29.119 1.00 65.02 N ATOM 415 CA THR A 27 3.461 0.985 -30.304 1.00 5.14 C ATOM 416 C THR A 27 2.581 2.183 -29.969 1.00 54.43 C ATOM 417 O THR A 27 2.633 2.715 -28.859 1.00 73.03 O ATOM 418 CB THR A 27 2.591 -0.116 -30.938 1.00 63.21 C ATOM 419 OG1 THR A 27 1.480 -0.414 -30.086 1.00 32.21 O ATOM 420 CG2 THR A 27 3.406 -1.378 -31.178 1.00 33.52 C ATOM 0 H THR A 27 3.541 0.196 -28.363 1.00 65.02 H new ATOM 0 HA THR A 27 4.227 1.288 -31.018 1.00 5.14 H new ATOM 0 HB THR A 27 2.224 0.249 -31.898 1.00 63.21 H new ATOM 0 HG1 THR A 27 0.931 -1.114 -30.497 1.00 32.21 H new ATOM 0 HG21 THR A 27 2.771 -2.142 -31.626 1.00 33.52 H new ATOM 0 HG22 THR A 27 4.234 -1.154 -31.851 1.00 33.52 H new ATOM 0 HG23 THR A 27 3.798 -1.744 -30.229 1.00 33.52 H new ATOM 428 N LEU A 28 1.771 2.605 -30.935 1.00 64.50 N ATOM 429 CA LEU A 28 0.877 3.741 -30.743 1.00 20.24 C ATOM 430 C LEU A 28 0.005 3.544 -29.507 1.00 2.35 C ATOM 431 O LEU A 28 -0.329 4.504 -28.811 1.00 34.11 O ATOM 432 CB LEU A 28 -0.005 3.936 -31.977 1.00 60.41 C ATOM 433 CG LEU A 28 0.730 4.198 -33.292 1.00 53.32 C ATOM 434 CD1 LEU A 28 -0.230 4.101 -34.468 1.00 42.42 C ATOM 435 CD2 LEU A 28 1.404 5.562 -33.263 1.00 3.00 C ATOM 0 H LEU A 28 1.716 2.177 -31.859 1.00 64.50 H new ATOM 0 HA LEU A 28 1.488 4.632 -30.597 1.00 20.24 H new ATOM 0 HB2 LEU A 28 -0.624 3.047 -32.101 1.00 60.41 H new ATOM 0 HB3 LEU A 28 -0.680 4.771 -31.788 1.00 60.41 H new ATOM 0 HG LEU A 28 1.500 3.436 -33.414 1.00 53.32 H new ATOM 0 HD11 LEU A 28 0.310 4.290 -35.395 1.00 42.42 H new ATOM 0 HD12 LEU A 28 -0.667 3.103 -34.500 1.00 42.42 H new ATOM 0 HD13 LEU A 28 -1.023 4.840 -34.353 1.00 42.42 H new ATOM 0 HD21 LEU A 28 1.922 5.732 -34.207 1.00 3.00 H new ATOM 0 HD22 LEU A 28 0.651 6.337 -33.118 1.00 3.00 H new ATOM 0 HD23 LEU A 28 2.122 5.596 -32.444 1.00 3.00 H new ATOM 447 N HIS A 29 -0.358 2.294 -29.238 1.00 12.35 N ATOM 448 CA HIS A 29 -1.190 1.971 -28.084 1.00 0.43 C ATOM 449 C HIS A 29 -0.417 2.171 -26.784 1.00 1.44 C ATOM 450 O HIS A 29 -1.000 2.476 -25.744 1.00 23.22 O ATOM 451 CB HIS A 29 -1.690 0.530 -28.177 1.00 33.44 C ATOM 452 CG HIS A 29 -3.002 0.305 -27.489 1.00 1.30 C ATOM 453 ND1 HIS A 29 -4.141 -0.096 -28.154 1.00 13.31 N ATOM 454 CD2 HIS A 29 -3.351 0.426 -26.187 1.00 1.52 C ATOM 455 CE1 HIS A 29 -5.135 -0.210 -27.291 1.00 0.31 C ATOM 456 NE2 HIS A 29 -4.681 0.101 -26.090 1.00 15.11 N ATOM 0 H HIS A 29 -0.089 1.488 -29.803 1.00 12.35 H new ATOM 0 HA HIS A 29 -2.046 2.645 -28.084 1.00 0.43 H new ATOM 0 HB2 HIS A 29 -1.788 0.255 -29.227 1.00 33.44 H new ATOM 0 HB3 HIS A 29 -0.943 -0.134 -27.742 1.00 33.44 H new ATOM 0 HD2 HIS A 29 -2.703 0.723 -25.375 1.00 1.52 H new ATOM 0 HE1 HIS A 29 -6.146 -0.507 -27.527 1.00 0.31 H new ATOM 0 HE2 HIS A 29 -5.230 0.100 -25.230 1.00 15.11 H new ATOM 464 N GLY A 30 0.900 1.997 -26.851 1.00 14.15 N ATOM 465 CA GLY A 30 1.730 2.161 -25.672 1.00 24.10 C ATOM 466 C GLY A 30 1.925 0.862 -24.914 1.00 53.55 C ATOM 467 O GLY A 30 2.030 0.860 -23.687 1.00 71.34 O ATOM 0 H GLY A 30 1.406 1.746 -27.700 1.00 14.15 H new ATOM 0 HA2 GLY A 30 2.702 2.555 -25.968 1.00 24.10 H new ATOM 0 HA3 GLY A 30 1.275 2.899 -25.011 1.00 24.10 H new ATOM 471 N THR A 31 1.971 -0.247 -25.646 1.00 41.41 N ATOM 472 CA THR A 31 2.151 -1.558 -25.036 1.00 11.11 C ATOM 473 C THR A 31 3.287 -2.324 -25.704 1.00 0.01 C ATOM 474 O THR A 31 3.500 -2.211 -26.911 1.00 71.01 O ATOM 475 CB THR A 31 0.862 -2.398 -25.119 1.00 3.42 C ATOM 476 OG1 THR A 31 0.467 -2.555 -26.486 1.00 63.12 O ATOM 477 CG2 THR A 31 -0.263 -1.741 -24.333 1.00 62.21 C ATOM 0 H THR A 31 1.886 -0.263 -26.662 1.00 41.41 H new ATOM 0 HA THR A 31 2.398 -1.388 -23.988 1.00 11.11 H new ATOM 0 HB THR A 31 1.064 -3.377 -24.685 1.00 3.42 H new ATOM 0 HG1 THR A 31 -0.352 -3.091 -26.530 1.00 63.12 H new ATOM 0 HG21 THR A 31 -1.163 -2.352 -24.406 1.00 62.21 H new ATOM 0 HG22 THR A 31 0.029 -1.649 -23.287 1.00 62.21 H new ATOM 0 HG23 THR A 31 -0.463 -0.751 -24.742 1.00 62.21 H new ATOM 485 N VAL A 32 4.014 -3.105 -24.911 1.00 44.22 N ATOM 486 CA VAL A 32 5.129 -3.891 -25.426 1.00 42.34 C ATOM 487 C VAL A 32 4.897 -5.382 -25.210 1.00 11.23 C ATOM 488 O VAL A 32 4.389 -5.798 -24.168 1.00 30.02 O ATOM 489 CB VAL A 32 6.457 -3.487 -24.758 1.00 52.21 C ATOM 490 CG1 VAL A 32 6.466 -3.901 -23.295 1.00 20.44 C ATOM 491 CG2 VAL A 32 7.635 -4.098 -25.501 1.00 73.44 C ATOM 0 H VAL A 32 3.851 -3.210 -23.910 1.00 44.22 H new ATOM 0 HA VAL A 32 5.192 -3.687 -26.495 1.00 42.34 H new ATOM 0 HB VAL A 32 6.552 -2.402 -24.804 1.00 52.21 H new ATOM 0 HG11 VAL A 32 7.412 -3.607 -22.840 1.00 20.44 H new ATOM 0 HG12 VAL A 32 5.644 -3.411 -22.773 1.00 20.44 H new ATOM 0 HG13 VAL A 32 6.348 -4.982 -23.222 1.00 20.44 H new ATOM 0 HG21 VAL A 32 8.565 -3.802 -25.015 1.00 73.44 H new ATOM 0 HG22 VAL A 32 7.549 -5.185 -25.489 1.00 73.44 H new ATOM 0 HG23 VAL A 32 7.637 -3.746 -26.533 1.00 73.44 H new ATOM 501 N THR A 33 5.273 -6.184 -26.201 1.00 54.01 N ATOM 502 CA THR A 33 5.107 -7.630 -26.119 1.00 2.40 C ATOM 503 C THR A 33 6.446 -8.345 -26.255 1.00 45.22 C ATOM 504 O THR A 33 7.307 -7.930 -27.032 1.00 71.41 O ATOM 505 CB THR A 33 4.148 -8.148 -27.207 1.00 62.11 C ATOM 506 OG1 THR A 33 4.796 -8.121 -28.484 1.00 55.21 O ATOM 507 CG2 THR A 33 2.881 -7.308 -27.257 1.00 43.51 C ATOM 0 H THR A 33 5.695 -5.857 -27.070 1.00 54.01 H new ATOM 0 HA THR A 33 4.682 -7.844 -25.139 1.00 2.40 H new ATOM 0 HB THR A 33 3.874 -9.174 -26.961 1.00 62.11 H new ATOM 0 HG1 THR A 33 4.180 -8.453 -29.170 1.00 55.21 H new ATOM 0 HG21 THR A 33 2.219 -7.693 -28.033 1.00 43.51 H new ATOM 0 HG22 THR A 33 2.375 -7.355 -26.293 1.00 43.51 H new ATOM 0 HG23 THR A 33 3.139 -6.273 -27.481 1.00 43.51 H new ATOM 515 N VAL A 34 6.617 -9.422 -25.495 1.00 72.24 N ATOM 516 CA VAL A 34 7.852 -10.196 -25.532 1.00 72.35 C ATOM 517 C VAL A 34 7.567 -11.674 -25.779 1.00 1.32 C ATOM 518 O VAL A 34 6.645 -12.243 -25.196 1.00 71.23 O ATOM 519 CB VAL A 34 8.646 -10.050 -24.221 1.00 12.51 C ATOM 520 CG1 VAL A 34 8.928 -8.584 -23.928 1.00 53.34 C ATOM 521 CG2 VAL A 34 7.894 -10.697 -23.068 1.00 14.31 C ATOM 0 H VAL A 34 5.915 -9.778 -24.846 1.00 72.24 H new ATOM 0 HA VAL A 34 8.448 -9.801 -26.355 1.00 72.35 H new ATOM 0 HB VAL A 34 9.601 -10.563 -24.336 1.00 12.51 H new ATOM 0 HG11 VAL A 34 9.490 -8.500 -22.998 1.00 53.34 H new ATOM 0 HG12 VAL A 34 9.511 -8.155 -24.744 1.00 53.34 H new ATOM 0 HG13 VAL A 34 7.986 -8.044 -23.832 1.00 53.34 H new ATOM 0 HG21 VAL A 34 8.470 -10.584 -22.149 1.00 14.31 H new ATOM 0 HG22 VAL A 34 6.924 -10.214 -22.950 1.00 14.31 H new ATOM 0 HG23 VAL A 34 7.749 -11.757 -23.277 1.00 14.31 H new ATOM 531 N GLU A 35 8.366 -12.288 -26.645 1.00 61.35 N ATOM 532 CA GLU A 35 8.200 -13.701 -26.968 1.00 12.41 C ATOM 533 C GLU A 35 9.529 -14.443 -26.862 1.00 51.03 C ATOM 534 O GLU A 35 10.544 -14.001 -27.400 1.00 4.45 O ATOM 535 CB GLU A 35 7.624 -13.861 -28.377 1.00 3.44 C ATOM 536 CG GLU A 35 6.824 -15.138 -28.566 1.00 21.43 C ATOM 537 CD GLU A 35 6.762 -15.579 -30.015 1.00 52.44 C ATOM 538 OE1 GLU A 35 5.797 -15.195 -30.710 1.00 44.02 O ATOM 539 OE2 GLU A 35 7.676 -16.306 -30.455 1.00 23.20 O ATOM 0 H GLU A 35 9.134 -11.830 -27.136 1.00 61.35 H new ATOM 0 HA GLU A 35 7.505 -14.133 -26.248 1.00 12.41 H new ATOM 0 HB2 GLU A 35 6.985 -13.006 -28.598 1.00 3.44 H new ATOM 0 HB3 GLU A 35 8.441 -13.844 -29.098 1.00 3.44 H new ATOM 0 HG2 GLU A 35 7.269 -15.933 -27.967 1.00 21.43 H new ATOM 0 HG3 GLU A 35 5.811 -14.986 -28.193 1.00 21.43 H new ATOM 546 N VAL A 36 9.514 -15.575 -26.165 1.00 41.41 N ATOM 547 CA VAL A 36 10.717 -16.378 -25.986 1.00 65.23 C ATOM 548 C VAL A 36 10.454 -17.843 -26.318 1.00 4.15 C ATOM 549 O VAL A 36 9.326 -18.226 -26.625 1.00 62.31 O ATOM 550 CB VAL A 36 11.251 -16.277 -24.545 1.00 30.00 C ATOM 551 CG1 VAL A 36 11.903 -14.923 -24.310 1.00 54.35 C ATOM 552 CG2 VAL A 36 10.131 -16.519 -23.545 1.00 20.55 C ATOM 0 H VAL A 36 8.682 -15.956 -25.715 1.00 41.41 H new ATOM 0 HA VAL A 36 11.467 -15.982 -26.671 1.00 65.23 H new ATOM 0 HB VAL A 36 12.009 -17.047 -24.402 1.00 30.00 H new ATOM 0 HG11 VAL A 36 12.274 -14.871 -23.286 1.00 54.35 H new ATOM 0 HG12 VAL A 36 12.733 -14.794 -25.004 1.00 54.35 H new ATOM 0 HG13 VAL A 36 11.169 -14.133 -24.471 1.00 54.35 H new ATOM 0 HG21 VAL A 36 10.526 -16.444 -22.532 1.00 20.55 H new ATOM 0 HG22 VAL A 36 9.349 -15.772 -23.686 1.00 20.55 H new ATOM 0 HG23 VAL A 36 9.714 -17.514 -23.699 1.00 20.55 H new ATOM 562 N GLN A 37 11.503 -18.656 -26.252 1.00 24.42 N ATOM 563 CA GLN A 37 11.385 -20.080 -26.544 1.00 31.01 C ATOM 564 C GLN A 37 11.279 -20.893 -25.258 1.00 4.33 C ATOM 565 O GLN A 37 11.972 -20.615 -24.278 1.00 35.51 O ATOM 566 CB GLN A 37 12.585 -20.555 -27.365 1.00 21.44 C ATOM 567 CG GLN A 37 12.400 -20.392 -28.864 1.00 74.25 C ATOM 568 CD GLN A 37 13.716 -20.259 -29.604 1.00 41.52 C ATOM 569 OE1 GLN A 37 14.762 -20.691 -29.118 1.00 15.54 O ATOM 570 NE2 GLN A 37 13.672 -19.658 -30.788 1.00 2.13 N ATOM 0 H GLN A 37 12.444 -18.354 -25.999 1.00 24.42 H new ATOM 0 HA GLN A 37 10.474 -20.232 -27.124 1.00 31.01 H new ATOM 0 HB2 GLN A 37 13.470 -20.000 -27.054 1.00 21.44 H new ATOM 0 HB3 GLN A 37 12.774 -21.605 -27.143 1.00 21.44 H new ATOM 0 HG2 GLN A 37 11.854 -21.251 -29.254 1.00 74.25 H new ATOM 0 HG3 GLN A 37 11.789 -19.511 -29.057 1.00 74.25 H new ATOM 0 HE21 GLN A 37 12.784 -19.315 -31.153 1.00 2.13 H new ATOM 0 HE22 GLN A 37 14.527 -19.540 -31.332 1.00 2.13 H new ATOM 579 N TYR A 38 10.409 -21.896 -25.268 1.00 22.22 N ATOM 580 CA TYR A 38 10.210 -22.747 -24.101 1.00 23.15 C ATOM 581 C TYR A 38 10.565 -24.197 -24.417 1.00 35.04 C ATOM 582 O TYR A 38 9.766 -24.930 -25.000 1.00 44.43 O ATOM 583 CB TYR A 38 8.761 -22.658 -23.619 1.00 42.21 C ATOM 584 CG TYR A 38 8.234 -21.243 -23.544 1.00 4.54 C ATOM 585 CD1 TYR A 38 8.658 -20.375 -22.544 1.00 64.22 C ATOM 586 CD2 TYR A 38 7.312 -20.773 -24.471 1.00 2.15 C ATOM 587 CE1 TYR A 38 8.179 -19.081 -22.471 1.00 24.44 C ATOM 588 CE2 TYR A 38 6.829 -19.480 -24.406 1.00 20.44 C ATOM 589 CZ TYR A 38 7.265 -18.639 -23.404 1.00 4.41 C ATOM 590 OH TYR A 38 6.785 -17.351 -23.335 1.00 3.11 O ATOM 0 H TYR A 38 9.830 -22.140 -26.071 1.00 22.22 H new ATOM 0 HA TYR A 38 10.871 -22.394 -23.309 1.00 23.15 H new ATOM 0 HB2 TYR A 38 8.127 -23.238 -24.290 1.00 42.21 H new ATOM 0 HB3 TYR A 38 8.686 -23.118 -22.633 1.00 42.21 H new ATOM 0 HD1 TYR A 38 9.374 -20.718 -21.812 1.00 64.22 H new ATOM 0 HD2 TYR A 38 6.967 -21.430 -25.256 1.00 2.15 H new ATOM 0 HE1 TYR A 38 8.519 -18.420 -21.688 1.00 24.44 H new ATOM 0 HE2 TYR A 38 6.114 -19.130 -25.136 1.00 20.44 H new ATOM 0 HH TYR A 38 6.151 -17.199 -24.066 1.00 3.11 H new ATOM 600 N ALA A 39 11.768 -24.604 -24.026 1.00 33.05 N ATOM 601 CA ALA A 39 12.228 -25.966 -24.264 1.00 64.15 C ATOM 602 C ALA A 39 12.387 -26.730 -22.954 1.00 41.21 C ATOM 603 O ALA A 39 13.471 -26.768 -22.374 1.00 22.10 O ATOM 604 CB ALA A 39 13.542 -25.952 -25.032 1.00 3.13 C ATOM 0 H ALA A 39 12.442 -24.010 -23.543 1.00 33.05 H new ATOM 0 HA ALA A 39 11.474 -26.478 -24.863 1.00 64.15 H new ATOM 0 HB1 ALA A 39 13.874 -26.976 -25.203 1.00 3.13 H new ATOM 0 HB2 ALA A 39 13.398 -25.452 -25.990 1.00 3.13 H new ATOM 0 HB3 ALA A 39 14.296 -25.418 -24.454 1.00 3.13 H new ATOM 675 N LYS A 46 5.069 -22.700 -15.847 1.00 33.14 N ATOM 676 CA LYS A 46 4.847 -21.278 -15.614 1.00 43.35 C ATOM 677 C LYS A 46 5.866 -20.437 -16.377 1.00 42.11 C ATOM 678 O LYS A 46 7.056 -20.751 -16.395 1.00 64.33 O ATOM 679 CB LYS A 46 4.930 -20.965 -14.119 1.00 34.24 C ATOM 680 CG LYS A 46 3.623 -21.189 -13.378 1.00 31.44 C ATOM 681 CD LYS A 46 2.641 -20.057 -13.624 1.00 55.31 C ATOM 682 CE LYS A 46 2.840 -18.920 -12.633 1.00 60.30 C ATOM 683 NZ LYS A 46 2.409 -19.301 -11.259 1.00 44.41 N ATOM 0 HA LYS A 46 3.850 -21.028 -15.976 1.00 43.35 H new ATOM 0 HB2 LYS A 46 5.704 -21.586 -13.669 1.00 34.24 H new ATOM 0 HB3 LYS A 46 5.238 -19.927 -13.990 1.00 34.24 H new ATOM 0 HG2 LYS A 46 3.180 -22.132 -13.698 1.00 31.44 H new ATOM 0 HG3 LYS A 46 3.820 -21.275 -12.309 1.00 31.44 H new ATOM 0 HD2 LYS A 46 2.764 -19.681 -14.640 1.00 55.31 H new ATOM 0 HD3 LYS A 46 1.622 -20.435 -13.546 1.00 55.31 H new ATOM 0 HE2 LYS A 46 3.891 -18.632 -12.617 1.00 60.30 H new ATOM 0 HE3 LYS A 46 2.275 -18.048 -12.962 1.00 60.30 H new ATOM 0 HZ1 LYS A 46 2.220 -18.442 -10.704 1.00 44.41 H new ATOM 0 HZ2 LYS A 46 1.544 -19.876 -11.313 1.00 44.41 H new ATOM 0 HZ3 LYS A 46 3.162 -19.851 -10.799 1.00 44.41 H new ATOM 697 N VAL A 47 5.392 -19.366 -17.005 1.00 13.42 N ATOM 698 CA VAL A 47 6.262 -18.477 -17.765 1.00 43.20 C ATOM 699 C VAL A 47 6.339 -17.098 -17.119 1.00 24.12 C ATOM 700 O VAL A 47 5.526 -16.214 -17.386 1.00 14.43 O ATOM 701 CB VAL A 47 5.777 -18.324 -19.219 1.00 13.13 C ATOM 702 CG1 VAL A 47 6.695 -17.390 -19.993 1.00 73.41 C ATOM 703 CG2 VAL A 47 5.690 -19.683 -19.897 1.00 12.14 C ATOM 0 H VAL A 47 4.409 -19.093 -17.002 1.00 13.42 H new ATOM 0 HA VAL A 47 7.253 -18.930 -17.766 1.00 43.20 H new ATOM 0 HB VAL A 47 4.779 -17.885 -19.207 1.00 13.13 H new ATOM 0 HG11 VAL A 47 6.336 -17.294 -21.018 1.00 73.41 H new ATOM 0 HG12 VAL A 47 6.701 -16.409 -19.518 1.00 73.41 H new ATOM 0 HG13 VAL A 47 7.706 -17.796 -19.999 1.00 73.41 H new ATOM 0 HG21 VAL A 47 5.346 -19.556 -20.923 1.00 12.14 H new ATOM 0 HG22 VAL A 47 6.674 -20.152 -19.900 1.00 12.14 H new ATOM 0 HG23 VAL A 47 4.988 -20.316 -19.354 1.00 12.14 H new ATOM 713 N PRO A 48 7.342 -16.908 -16.248 1.00 34.22 N ATOM 714 CA PRO A 48 7.550 -15.638 -15.546 1.00 24.30 C ATOM 715 C PRO A 48 8.022 -14.530 -16.481 1.00 3.01 C ATOM 716 O PRO A 48 8.786 -14.776 -17.414 1.00 54.34 O ATOM 717 CB PRO A 48 8.638 -15.973 -14.522 1.00 71.52 C ATOM 718 CG PRO A 48 9.371 -17.128 -15.113 1.00 31.35 C ATOM 719 CD PRO A 48 8.348 -17.918 -15.881 1.00 64.45 C ATOM 0 HA PRO A 48 6.628 -15.262 -15.102 1.00 24.30 H new ATOM 0 HB2 PRO A 48 9.302 -15.124 -14.358 1.00 71.52 H new ATOM 0 HB3 PRO A 48 8.206 -16.231 -13.555 1.00 71.52 H new ATOM 0 HG2 PRO A 48 10.173 -16.787 -15.768 1.00 31.35 H new ATOM 0 HG3 PRO A 48 9.831 -17.737 -14.335 1.00 31.35 H new ATOM 0 HD2 PRO A 48 8.783 -18.390 -16.762 1.00 64.45 H new ATOM 0 HD3 PRO A 48 7.916 -18.713 -15.274 1.00 64.45 H new ATOM 727 N ALA A 49 7.564 -13.310 -16.223 1.00 55.44 N ATOM 728 CA ALA A 49 7.941 -12.163 -17.041 1.00 74.42 C ATOM 729 C ALA A 49 7.773 -10.859 -16.269 1.00 24.21 C ATOM 730 O ALA A 49 6.687 -10.554 -15.777 1.00 63.12 O ATOM 731 CB ALA A 49 7.115 -12.132 -18.319 1.00 32.12 C ATOM 0 H ALA A 49 6.931 -13.090 -15.454 1.00 55.44 H new ATOM 0 HA ALA A 49 8.994 -12.266 -17.304 1.00 74.42 H new ATOM 0 HB1 ALA A 49 7.407 -11.271 -18.920 1.00 32.12 H new ATOM 0 HB2 ALA A 49 7.289 -13.046 -18.887 1.00 32.12 H new ATOM 0 HB3 ALA A 49 6.057 -12.057 -18.067 1.00 32.12 H new ATOM 737 N GLN A 50 8.856 -10.095 -16.166 1.00 52.21 N ATOM 738 CA GLN A 50 8.827 -8.823 -15.453 1.00 65.30 C ATOM 739 C GLN A 50 10.125 -8.050 -15.667 1.00 32.44 C ATOM 740 O GLN A 50 11.086 -8.576 -16.227 1.00 4.24 O ATOM 741 CB GLN A 50 8.600 -9.057 -13.959 1.00 35.43 C ATOM 742 CG GLN A 50 9.715 -9.844 -13.289 1.00 11.30 C ATOM 743 CD GLN A 50 9.725 -9.674 -11.783 1.00 22.25 C ATOM 744 OE1 GLN A 50 9.395 -10.599 -11.040 1.00 22.41 O ATOM 745 NE2 GLN A 50 10.105 -8.488 -11.323 1.00 25.05 N ATOM 0 H GLN A 50 9.763 -10.334 -16.567 1.00 52.21 H new ATOM 0 HA GLN A 50 8.003 -8.231 -15.850 1.00 65.30 H new ATOM 0 HB2 GLN A 50 8.497 -8.093 -13.461 1.00 35.43 H new ATOM 0 HB3 GLN A 50 7.658 -9.589 -13.822 1.00 35.43 H new ATOM 0 HG2 GLN A 50 9.605 -10.901 -13.531 1.00 11.30 H new ATOM 0 HG3 GLN A 50 10.675 -9.523 -13.694 1.00 11.30 H new ATOM 0 HE21 GLN A 50 10.370 -7.749 -11.975 1.00 25.05 H new ATOM 0 HE22 GLN A 50 10.132 -8.315 -10.318 1.00 25.05 H new ATOM 754 N MET A 51 10.144 -6.800 -15.217 1.00 14.10 N ATOM 755 CA MET A 51 11.323 -5.955 -15.359 1.00 45.35 C ATOM 756 C MET A 51 11.563 -5.137 -14.094 1.00 74.21 C ATOM 757 O MET A 51 10.744 -5.145 -13.175 1.00 63.20 O ATOM 758 CB MET A 51 11.166 -5.021 -16.562 1.00 25.54 C ATOM 759 CG MET A 51 9.980 -4.078 -16.448 1.00 31.23 C ATOM 760 SD MET A 51 8.477 -4.761 -17.173 1.00 63.42 S ATOM 761 CE MET A 51 7.233 -3.709 -16.429 1.00 44.14 C ATOM 0 H MET A 51 9.356 -6.350 -14.751 1.00 14.10 H new ATOM 0 HA MET A 51 12.185 -6.602 -15.520 1.00 45.35 H new ATOM 0 HB2 MET A 51 12.077 -4.434 -16.677 1.00 25.54 H new ATOM 0 HB3 MET A 51 11.057 -5.621 -17.466 1.00 25.54 H new ATOM 0 HG2 MET A 51 9.801 -3.851 -15.397 1.00 31.23 H new ATOM 0 HG3 MET A 51 10.221 -3.136 -16.941 1.00 31.23 H new ATOM 0 HE1 MET A 51 6.529 -3.381 -17.194 1.00 44.14 H new ATOM 0 HE2 MET A 51 6.699 -4.266 -15.659 1.00 44.14 H new ATOM 0 HE3 MET A 51 7.713 -2.839 -15.980 1.00 44.14 H new ATOM 771 N ALA A 52 12.689 -4.433 -14.054 1.00 10.11 N ATOM 772 CA ALA A 52 13.035 -3.610 -12.901 1.00 70.44 C ATOM 773 C ALA A 52 14.283 -2.779 -13.175 1.00 45.24 C ATOM 774 O ALA A 52 15.125 -3.154 -13.991 1.00 62.55 O ATOM 775 CB ALA A 52 13.239 -4.484 -11.672 1.00 42.52 C ATOM 0 H ALA A 52 13.377 -4.416 -14.806 1.00 10.11 H new ATOM 0 HA ALA A 52 12.209 -2.925 -12.713 1.00 70.44 H new ATOM 0 HB1 ALA A 52 13.497 -3.857 -10.818 1.00 42.52 H new ATOM 0 HB2 ALA A 52 12.320 -5.030 -11.457 1.00 42.52 H new ATOM 0 HB3 ALA A 52 14.046 -5.192 -11.859 1.00 42.52 H new ATOM 781 N VAL A 53 14.397 -1.646 -12.489 1.00 21.34 N ATOM 782 CA VAL A 53 15.544 -0.762 -12.657 1.00 51.11 C ATOM 783 C VAL A 53 16.790 -1.348 -12.004 1.00 4.23 C ATOM 784 O VAL A 53 17.901 -1.195 -12.513 1.00 11.12 O ATOM 785 CB VAL A 53 15.271 0.631 -12.059 1.00 51.24 C ATOM 786 CG1 VAL A 53 16.444 1.564 -12.320 1.00 61.51 C ATOM 787 CG2 VAL A 53 13.983 1.210 -12.625 1.00 40.23 C ATOM 0 H VAL A 53 13.708 -1.319 -11.811 1.00 21.34 H new ATOM 0 HA VAL A 53 15.712 -0.662 -13.729 1.00 51.11 H new ATOM 0 HB VAL A 53 15.153 0.527 -10.980 1.00 51.24 H new ATOM 0 HG11 VAL A 53 16.233 2.543 -11.890 1.00 61.51 H new ATOM 0 HG12 VAL A 53 17.344 1.154 -11.863 1.00 61.51 H new ATOM 0 HG13 VAL A 53 16.597 1.665 -13.395 1.00 61.51 H new ATOM 0 HG21 VAL A 53 13.805 2.194 -12.192 1.00 40.23 H new ATOM 0 HG22 VAL A 53 14.070 1.300 -13.708 1.00 40.23 H new ATOM 0 HG23 VAL A 53 13.150 0.551 -12.381 1.00 40.23 H new ATOM 797 N ASP A 54 16.599 -2.019 -10.874 1.00 21.44 N ATOM 798 CA ASP A 54 17.708 -2.631 -10.150 1.00 40.24 C ATOM 799 C ASP A 54 17.566 -4.149 -10.121 1.00 30.41 C ATOM 800 O ASP A 54 16.469 -4.683 -10.284 1.00 63.23 O ATOM 801 CB ASP A 54 17.777 -2.085 -8.723 1.00 41.24 C ATOM 802 CG ASP A 54 18.440 -0.723 -8.656 1.00 40.01 C ATOM 803 OD1 ASP A 54 19.627 -0.621 -9.031 1.00 61.42 O ATOM 804 OD2 ASP A 54 17.772 0.241 -8.229 1.00 54.32 O ATOM 0 H ASP A 54 15.686 -2.153 -10.439 1.00 21.44 H new ATOM 0 HA ASP A 54 18.632 -2.381 -10.671 1.00 40.24 H new ATOM 0 HB2 ASP A 54 16.769 -2.016 -8.314 1.00 41.24 H new ATOM 0 HB3 ASP A 54 18.328 -2.785 -8.095 1.00 41.24 H new ATOM 809 N MET A 55 18.683 -4.839 -9.912 1.00 73.13 N ATOM 810 CA MET A 55 18.682 -6.297 -9.860 1.00 51.53 C ATOM 811 C MET A 55 18.849 -6.789 -8.426 1.00 63.44 C ATOM 812 O MET A 55 18.267 -7.801 -8.037 1.00 55.01 O ATOM 813 CB MET A 55 19.800 -6.860 -10.740 1.00 32.25 C ATOM 814 CG MET A 55 19.405 -7.017 -12.199 1.00 14.21 C ATOM 815 SD MET A 55 20.816 -6.909 -13.316 1.00 51.10 S ATOM 816 CE MET A 55 20.118 -7.605 -14.812 1.00 12.34 C ATOM 0 H MET A 55 19.600 -4.413 -9.776 1.00 73.13 H new ATOM 0 HA MET A 55 17.722 -6.650 -10.236 1.00 51.53 H new ATOM 0 HB2 MET A 55 20.667 -6.203 -10.676 1.00 32.25 H new ATOM 0 HB3 MET A 55 20.105 -7.830 -10.348 1.00 32.25 H new ATOM 0 HG2 MET A 55 18.911 -7.979 -12.336 1.00 14.21 H new ATOM 0 HG3 MET A 55 18.680 -6.246 -12.460 1.00 14.21 H new ATOM 0 HE1 MET A 55 20.842 -7.526 -15.623 1.00 12.34 H new ATOM 0 HE2 MET A 55 19.873 -8.654 -14.645 1.00 12.34 H new ATOM 0 HE3 MET A 55 19.213 -7.059 -15.079 1.00 12.34 H new ATOM 826 N GLN A 56 19.649 -6.068 -7.647 1.00 74.20 N ATOM 827 CA GLN A 56 19.893 -6.435 -6.257 1.00 42.30 C ATOM 828 C GLN A 56 18.580 -6.638 -5.509 1.00 20.04 C ATOM 829 O GLN A 56 18.473 -7.510 -4.645 1.00 41.41 O ATOM 830 CB GLN A 56 20.728 -5.357 -5.563 1.00 20.22 C ATOM 831 CG GLN A 56 20.199 -3.948 -5.773 1.00 53.22 C ATOM 832 CD GLN A 56 20.974 -2.910 -4.987 1.00 4.43 C ATOM 833 OE1 GLN A 56 21.155 -3.039 -3.775 1.00 53.35 O ATOM 834 NE2 GLN A 56 21.439 -1.872 -5.673 1.00 13.22 N ATOM 0 H GLN A 56 20.139 -5.228 -7.954 1.00 74.20 H new ATOM 0 HA GLN A 56 20.444 -7.375 -6.247 1.00 42.30 H new ATOM 0 HB2 GLN A 56 20.762 -5.568 -4.494 1.00 20.22 H new ATOM 0 HB3 GLN A 56 21.753 -5.410 -5.931 1.00 20.22 H new ATOM 0 HG2 GLN A 56 20.243 -3.702 -6.834 1.00 53.22 H new ATOM 0 HG3 GLN A 56 19.150 -3.911 -5.480 1.00 53.22 H new ATOM 0 HE21 GLN A 56 21.266 -1.805 -6.676 1.00 13.22 H new ATOM 0 HE22 GLN A 56 21.969 -1.142 -5.197 1.00 13.22 H new ATOM 843 N THR A 57 17.581 -5.827 -5.845 1.00 22.54 N ATOM 844 CA THR A 57 16.275 -5.917 -5.204 1.00 23.42 C ATOM 845 C THR A 57 15.206 -6.362 -6.195 1.00 70.20 C ATOM 846 O THR A 57 14.276 -7.087 -5.838 1.00 25.15 O ATOM 847 CB THR A 57 15.858 -4.569 -4.587 1.00 3.01 C ATOM 848 OG1 THR A 57 14.596 -4.703 -3.924 1.00 22.12 O ATOM 849 CG2 THR A 57 15.763 -3.491 -5.656 1.00 61.00 C ATOM 0 H THR A 57 17.652 -5.101 -6.557 1.00 22.54 H new ATOM 0 HA THR A 57 16.363 -6.659 -4.411 1.00 23.42 H new ATOM 0 HB THR A 57 16.618 -4.275 -3.864 1.00 3.01 H new ATOM 0 HG1 THR A 57 14.339 -3.842 -3.533 1.00 22.12 H new ATOM 0 HG21 THR A 57 15.467 -2.548 -5.196 1.00 61.00 H new ATOM 0 HG22 THR A 57 16.733 -3.371 -6.139 1.00 61.00 H new ATOM 0 HG23 THR A 57 15.021 -3.781 -6.400 1.00 61.00 H new ATOM 857 N LEU A 58 15.343 -5.925 -7.442 1.00 1.32 N ATOM 858 CA LEU A 58 14.387 -6.277 -8.486 1.00 21.42 C ATOM 859 C LEU A 58 12.960 -5.973 -8.043 1.00 12.52 C ATOM 860 O LEU A 58 12.047 -6.771 -8.258 1.00 51.41 O ATOM 861 CB LEU A 58 14.517 -7.759 -8.844 1.00 53.10 C ATOM 862 CG LEU A 58 14.243 -8.123 -10.304 1.00 12.13 C ATOM 863 CD1 LEU A 58 15.534 -8.118 -11.107 1.00 4.25 C ATOM 864 CD2 LEU A 58 13.561 -9.480 -10.396 1.00 33.11 C ATOM 0 H LEU A 58 16.107 -5.326 -7.755 1.00 1.32 H new ATOM 0 HA LEU A 58 14.610 -5.675 -9.367 1.00 21.42 H new ATOM 0 HB2 LEU A 58 15.526 -8.086 -8.592 1.00 53.10 H new ATOM 0 HB3 LEU A 58 13.831 -8.326 -8.214 1.00 53.10 H new ATOM 0 HG LEU A 58 13.574 -7.373 -10.726 1.00 12.13 H new ATOM 0 HD11 LEU A 58 15.319 -8.379 -12.143 1.00 4.25 H new ATOM 0 HD12 LEU A 58 15.982 -7.125 -11.069 1.00 4.25 H new ATOM 0 HD13 LEU A 58 16.227 -8.846 -10.686 1.00 4.25 H new ATOM 0 HD21 LEU A 58 13.374 -9.723 -11.442 1.00 33.11 H new ATOM 0 HD22 LEU A 58 14.205 -10.242 -9.956 1.00 33.11 H new ATOM 0 HD23 LEU A 58 12.615 -9.449 -9.856 1.00 33.11 H new ATOM 876 N THR A 59 12.773 -4.811 -7.424 1.00 11.21 N ATOM 877 CA THR A 59 11.457 -4.400 -6.950 1.00 42.15 C ATOM 878 C THR A 59 10.414 -4.515 -8.056 1.00 63.42 C ATOM 879 O THR A 59 10.696 -4.292 -9.234 1.00 14.22 O ATOM 880 CB THR A 59 11.476 -2.951 -6.427 1.00 74.40 C ATOM 881 OG1 THR A 59 10.136 -2.468 -6.276 1.00 2.01 O ATOM 882 CG2 THR A 59 12.244 -2.043 -7.375 1.00 60.11 C ATOM 0 H THR A 59 13.517 -4.138 -7.239 1.00 11.21 H new ATOM 0 HA THR A 59 11.192 -5.070 -6.133 1.00 42.15 H new ATOM 0 HB THR A 59 11.976 -2.944 -5.459 1.00 74.40 H new ATOM 0 HG1 THR A 59 10.156 -1.547 -5.942 1.00 2.01 H new ATOM 0 HG21 THR A 59 12.244 -1.025 -6.984 1.00 60.11 H new ATOM 0 HG22 THR A 59 13.271 -2.397 -7.465 1.00 60.11 H new ATOM 0 HG23 THR A 59 11.769 -2.055 -8.356 1.00 60.11 H new ATOM 890 N PRO A 60 9.180 -4.872 -7.672 1.00 31.25 N ATOM 891 CA PRO A 60 8.070 -5.026 -8.616 1.00 54.24 C ATOM 892 C PRO A 60 7.610 -3.691 -9.193 1.00 2.00 C ATOM 893 O PRO A 60 6.985 -2.887 -8.502 1.00 35.13 O ATOM 894 CB PRO A 60 6.962 -5.650 -7.764 1.00 10.43 C ATOM 895 CG PRO A 60 7.273 -5.226 -6.370 1.00 23.43 C ATOM 896 CD PRO A 60 8.773 -5.153 -6.284 1.00 53.54 C ATOM 0 HA PRO A 60 8.351 -5.628 -9.480 1.00 54.24 H new ATOM 0 HB2 PRO A 60 5.978 -5.299 -8.075 1.00 10.43 H new ATOM 0 HB3 PRO A 60 6.956 -6.736 -7.856 1.00 10.43 H new ATOM 0 HG2 PRO A 60 6.822 -4.259 -6.146 1.00 23.43 H new ATOM 0 HG3 PRO A 60 6.875 -5.938 -5.647 1.00 23.43 H new ATOM 0 HD2 PRO A 60 9.099 -4.367 -5.603 1.00 53.54 H new ATOM 0 HD3 PRO A 60 9.201 -6.087 -5.921 1.00 53.54 H new ATOM 904 N VAL A 61 7.924 -3.461 -10.464 1.00 4.00 N ATOM 905 CA VAL A 61 7.541 -2.225 -11.135 1.00 14.44 C ATOM 906 C VAL A 61 6.769 -2.512 -12.418 1.00 11.04 C ATOM 907 O VAL A 61 6.893 -3.588 -13.001 1.00 42.35 O ATOM 908 CB VAL A 61 8.772 -1.363 -11.471 1.00 62.14 C ATOM 909 CG1 VAL A 61 9.571 -1.058 -10.213 1.00 71.23 C ATOM 910 CG2 VAL A 61 9.641 -2.059 -12.509 1.00 12.53 C ATOM 0 H VAL A 61 8.443 -4.115 -11.050 1.00 4.00 H new ATOM 0 HA VAL A 61 6.901 -1.676 -10.444 1.00 14.44 H new ATOM 0 HB VAL A 61 8.429 -0.418 -11.891 1.00 62.14 H new ATOM 0 HG11 VAL A 61 10.437 -0.448 -10.471 1.00 71.23 H new ATOM 0 HG12 VAL A 61 8.943 -0.516 -9.506 1.00 71.23 H new ATOM 0 HG13 VAL A 61 9.906 -1.991 -9.760 1.00 71.23 H new ATOM 0 HG21 VAL A 61 10.507 -1.436 -12.735 1.00 12.53 H new ATOM 0 HG22 VAL A 61 9.977 -3.019 -12.117 1.00 12.53 H new ATOM 0 HG23 VAL A 61 9.063 -2.220 -13.419 1.00 12.53 H new ATOM 920 N GLY A 62 5.971 -1.541 -12.852 1.00 71.21 N ATOM 921 CA GLY A 62 5.190 -1.709 -14.064 1.00 22.12 C ATOM 922 C GLY A 62 3.805 -2.261 -13.789 1.00 43.24 C ATOM 923 O GLY A 62 3.326 -2.219 -12.656 1.00 5.20 O ATOM 0 H GLY A 62 5.851 -0.641 -12.386 1.00 71.21 H new ATOM 0 HA2 GLY A 62 5.101 -0.748 -14.571 1.00 22.12 H new ATOM 0 HA3 GLY A 62 5.717 -2.380 -14.742 1.00 22.12 H new ATOM 927 N ARG A 63 3.159 -2.778 -14.829 1.00 42.13 N ATOM 928 CA ARG A 63 1.819 -3.336 -14.696 1.00 12.53 C ATOM 929 C ARG A 63 1.552 -4.375 -15.780 1.00 70.41 C ATOM 930 O ARG A 63 1.583 -4.067 -16.972 1.00 61.12 O ATOM 931 CB ARG A 63 0.771 -2.224 -14.772 1.00 11.44 C ATOM 932 CG ARG A 63 -0.494 -2.523 -13.983 1.00 65.53 C ATOM 933 CD ARG A 63 -1.504 -3.291 -14.822 1.00 1.32 C ATOM 934 NE ARG A 63 -2.359 -4.145 -14.002 1.00 54.42 N ATOM 935 CZ ARG A 63 -3.481 -4.702 -14.444 1.00 53.13 C ATOM 936 NH1 ARG A 63 -3.881 -4.496 -15.692 1.00 24.52 N ATOM 937 NH2 ARG A 63 -4.206 -5.467 -13.638 1.00 10.11 N ATOM 0 H ARG A 63 3.542 -2.822 -15.773 1.00 42.13 H new ATOM 0 HA ARG A 63 1.751 -3.825 -13.724 1.00 12.53 H new ATOM 0 HB2 ARG A 63 1.209 -1.297 -14.402 1.00 11.44 H new ATOM 0 HB3 ARG A 63 0.507 -2.056 -15.816 1.00 11.44 H new ATOM 0 HG2 ARG A 63 -0.242 -3.102 -13.094 1.00 65.53 H new ATOM 0 HG3 ARG A 63 -0.939 -1.589 -13.639 1.00 65.53 H new ATOM 0 HD2 ARG A 63 -2.122 -2.587 -15.379 1.00 1.32 H new ATOM 0 HD3 ARG A 63 -0.977 -3.902 -15.555 1.00 1.32 H new ATOM 0 HE ARG A 63 -2.079 -4.323 -13.037 1.00 54.42 H new ATOM 0 HH11 ARG A 63 -3.327 -3.909 -16.315 1.00 24.52 H new ATOM 0 HH12 ARG A 63 -4.743 -4.925 -16.029 1.00 24.52 H new ATOM 0 HH21 ARG A 63 -3.902 -5.628 -12.678 1.00 10.11 H new ATOM 0 HH22 ARG A 63 -5.067 -5.894 -13.979 1.00 10.11 H new ATOM 951 N LEU A 64 1.290 -5.608 -15.359 1.00 5.21 N ATOM 952 CA LEU A 64 1.018 -6.694 -16.294 1.00 25.33 C ATOM 953 C LEU A 64 -0.433 -6.659 -16.763 1.00 4.34 C ATOM 954 O LEU A 64 -1.308 -6.146 -16.065 1.00 11.11 O ATOM 955 CB LEU A 64 1.322 -8.044 -15.640 1.00 44.44 C ATOM 956 CG LEU A 64 2.788 -8.480 -15.651 1.00 51.40 C ATOM 957 CD1 LEU A 64 3.506 -7.967 -14.412 1.00 62.33 C ATOM 958 CD2 LEU A 64 2.893 -9.995 -15.742 1.00 51.02 C ATOM 0 H LEU A 64 1.260 -5.880 -14.376 1.00 5.21 H new ATOM 0 HA LEU A 64 1.664 -6.563 -17.162 1.00 25.33 H new ATOM 0 HB2 LEU A 64 0.982 -8.009 -14.605 1.00 44.44 H new ATOM 0 HB3 LEU A 64 0.732 -8.810 -16.143 1.00 44.44 H new ATOM 0 HG LEU A 64 3.269 -8.049 -16.529 1.00 51.40 H new ATOM 0 HD11 LEU A 64 4.548 -8.287 -14.437 1.00 62.33 H new ATOM 0 HD12 LEU A 64 3.461 -6.878 -14.390 1.00 62.33 H new ATOM 0 HD13 LEU A 64 3.024 -8.368 -13.520 1.00 62.33 H new ATOM 0 HD21 LEU A 64 3.943 -10.287 -15.749 1.00 51.02 H new ATOM 0 HD22 LEU A 64 2.396 -10.446 -14.883 1.00 51.02 H new ATOM 0 HD23 LEU A 64 2.415 -10.338 -16.659 1.00 51.02 H new ATOM 970 N ILE A 65 -0.680 -7.208 -17.947 1.00 21.43 N ATOM 971 CA ILE A 65 -2.025 -7.243 -18.506 1.00 53.24 C ATOM 972 C ILE A 65 -2.572 -8.666 -18.537 1.00 64.21 C ATOM 973 O ILE A 65 -3.753 -8.896 -18.276 1.00 20.01 O ATOM 974 CB ILE A 65 -2.057 -6.662 -19.932 1.00 41.14 C ATOM 975 CG1 ILE A 65 -1.520 -5.229 -19.935 1.00 25.31 C ATOM 976 CG2 ILE A 65 -3.472 -6.704 -20.490 1.00 42.40 C ATOM 977 CD1 ILE A 65 -0.024 -5.145 -20.142 1.00 65.55 C ATOM 0 H ILE A 65 0.034 -7.635 -18.538 1.00 21.43 H new ATOM 0 HA ILE A 65 -2.651 -6.630 -17.858 1.00 53.24 H new ATOM 0 HB ILE A 65 -1.417 -7.271 -20.571 1.00 41.14 H new ATOM 0 HG12 ILE A 65 -2.020 -4.664 -20.722 1.00 25.31 H new ATOM 0 HG13 ILE A 65 -1.775 -4.752 -18.989 1.00 25.31 H new ATOM 0 HG21 ILE A 65 -3.478 -6.290 -21.498 1.00 42.40 H new ATOM 0 HG22 ILE A 65 -3.821 -7.736 -20.520 1.00 42.40 H new ATOM 0 HG23 ILE A 65 -4.132 -6.116 -19.852 1.00 42.40 H new ATOM 0 HD11 ILE A 65 0.286 -4.100 -20.133 1.00 65.55 H new ATOM 0 HD12 ILE A 65 0.485 -5.682 -19.341 1.00 65.55 H new ATOM 0 HD13 ILE A 65 0.236 -5.592 -21.101 1.00 65.55 H new ATOM 989 N THR A 66 -1.703 -9.621 -18.857 1.00 13.13 N ATOM 990 CA THR A 66 -2.098 -11.022 -18.921 1.00 24.44 C ATOM 991 C THR A 66 -2.682 -11.490 -17.593 1.00 32.22 C ATOM 992 O THR A 66 -2.480 -10.857 -16.557 1.00 52.33 O ATOM 993 CB THR A 66 -0.905 -11.925 -19.290 1.00 74.10 C ATOM 994 OG1 THR A 66 0.017 -11.205 -20.115 1.00 3.12 O ATOM 995 CG2 THR A 66 -1.378 -13.174 -20.020 1.00 3.35 C ATOM 0 H THR A 66 -0.722 -9.449 -19.076 1.00 13.13 H new ATOM 0 HA THR A 66 -2.859 -11.101 -19.697 1.00 24.44 H new ATOM 0 HB THR A 66 -0.408 -12.228 -18.369 1.00 74.10 H new ATOM 0 HG1 THR A 66 0.773 -11.785 -20.344 1.00 3.12 H new ATOM 0 HG21 THR A 66 -0.519 -13.796 -20.271 1.00 3.35 H new ATOM 0 HG22 THR A 66 -2.058 -13.735 -19.379 1.00 3.35 H new ATOM 0 HG23 THR A 66 -1.897 -12.886 -20.935 1.00 3.35 H new ATOM 1003 N ALA A 67 -3.407 -12.603 -17.630 1.00 73.41 N ATOM 1004 CA ALA A 67 -4.020 -13.157 -16.429 1.00 4.12 C ATOM 1005 C ALA A 67 -3.214 -14.336 -15.895 1.00 63.43 C ATOM 1006 O ALA A 67 -2.760 -14.324 -14.752 1.00 1.50 O ATOM 1007 CB ALA A 67 -5.453 -13.580 -16.714 1.00 61.52 C ATOM 0 H ALA A 67 -3.584 -13.139 -18.479 1.00 73.41 H new ATOM 0 HA ALA A 67 -4.028 -12.380 -15.664 1.00 4.12 H new ATOM 0 HB1 ALA A 67 -5.898 -13.992 -15.808 1.00 61.52 H new ATOM 0 HB2 ALA A 67 -6.030 -12.715 -17.040 1.00 61.52 H new ATOM 0 HB3 ALA A 67 -5.460 -14.337 -17.498 1.00 61.52 H new ATOM 1013 N ASN A 68 -3.040 -15.355 -16.731 1.00 73.12 N ATOM 1014 CA ASN A 68 -2.290 -16.543 -16.342 1.00 65.44 C ATOM 1015 C ASN A 68 -1.689 -17.231 -17.565 1.00 21.44 C ATOM 1016 O ASN A 68 -2.146 -18.288 -18.000 1.00 72.14 O ATOM 1017 CB ASN A 68 -3.194 -17.519 -15.587 1.00 71.31 C ATOM 1018 CG ASN A 68 -4.488 -17.799 -16.327 1.00 12.43 C ATOM 1019 OD1 ASN A 68 -5.315 -16.905 -16.513 1.00 63.54 O ATOM 1020 ND2 ASN A 68 -4.670 -19.044 -16.752 1.00 3.44 N ATOM 0 H ASN A 68 -3.408 -15.381 -17.682 1.00 73.12 H new ATOM 0 HA ASN A 68 -1.477 -16.230 -15.686 1.00 65.44 H new ATOM 0 HB2 ASN A 68 -2.660 -18.456 -15.428 1.00 71.31 H new ATOM 0 HB3 ASN A 68 -3.423 -17.111 -14.602 1.00 71.31 H new ATOM 0 HD21 ASN A 68 -5.522 -19.292 -17.255 1.00 3.44 H new ATOM 0 HD22 ASN A 68 -3.958 -19.752 -16.575 1.00 3.44 H new ATOM 1027 N PRO A 69 -0.639 -16.619 -18.132 1.00 23.33 N ATOM 1028 CA PRO A 69 0.049 -17.156 -19.310 1.00 11.12 C ATOM 1029 C PRO A 69 0.834 -18.425 -18.995 1.00 52.20 C ATOM 1030 O PRO A 69 1.711 -18.426 -18.131 1.00 72.10 O ATOM 1031 CB PRO A 69 0.999 -16.025 -19.712 1.00 22.15 C ATOM 1032 CG PRO A 69 1.237 -15.265 -18.453 1.00 11.24 C ATOM 1033 CD PRO A 69 -0.041 -15.356 -17.666 1.00 34.40 C ATOM 0 HA PRO A 69 -0.651 -17.443 -20.095 1.00 11.12 H new ATOM 0 HB2 PRO A 69 1.931 -16.417 -20.120 1.00 22.15 H new ATOM 0 HB3 PRO A 69 0.557 -15.390 -20.480 1.00 22.15 H new ATOM 0 HG2 PRO A 69 2.071 -15.689 -17.893 1.00 11.24 H new ATOM 0 HG3 PRO A 69 1.491 -14.227 -18.666 1.00 11.24 H new ATOM 0 HD2 PRO A 69 0.148 -15.373 -16.593 1.00 34.40 H new ATOM 0 HD3 PRO A 69 -0.695 -14.506 -17.861 1.00 34.40 H new ATOM 1041 N VAL A 70 0.513 -19.504 -19.702 1.00 25.01 N ATOM 1042 CA VAL A 70 1.191 -20.779 -19.499 1.00 75.33 C ATOM 1043 C VAL A 70 1.331 -21.542 -20.812 1.00 51.40 C ATOM 1044 O VAL A 70 0.628 -21.261 -21.783 1.00 15.51 O ATOM 1045 CB VAL A 70 0.437 -21.660 -18.485 1.00 11.00 C ATOM 1046 CG1 VAL A 70 0.254 -20.921 -17.168 1.00 24.20 C ATOM 1047 CG2 VAL A 70 -0.906 -22.095 -19.052 1.00 61.12 C ATOM 0 H VAL A 70 -0.212 -19.521 -20.420 1.00 25.01 H new ATOM 0 HA VAL A 70 2.182 -20.552 -19.106 1.00 75.33 H new ATOM 0 HB VAL A 70 1.032 -22.553 -18.294 1.00 11.00 H new ATOM 0 HG11 VAL A 70 -0.281 -21.559 -16.464 1.00 24.20 H new ATOM 0 HG12 VAL A 70 1.230 -20.664 -16.756 1.00 24.20 H new ATOM 0 HG13 VAL A 70 -0.319 -20.009 -17.339 1.00 24.20 H new ATOM 0 HG21 VAL A 70 -1.425 -22.717 -18.322 1.00 61.12 H new ATOM 0 HG22 VAL A 70 -1.510 -21.215 -19.274 1.00 61.12 H new ATOM 0 HG23 VAL A 70 -0.747 -22.666 -19.967 1.00 61.12 H new ATOM 1057 N ILE A 71 2.243 -22.507 -20.834 1.00 61.43 N ATOM 1058 CA ILE A 71 2.475 -23.311 -22.028 1.00 32.42 C ATOM 1059 C ILE A 71 1.753 -24.651 -21.937 1.00 33.43 C ATOM 1060 O ILE A 71 2.192 -25.560 -21.231 1.00 64.24 O ATOM 1061 CB ILE A 71 3.977 -23.565 -22.253 1.00 41.21 C ATOM 1062 CG1 ILE A 71 4.755 -22.249 -22.180 1.00 21.44 C ATOM 1063 CG2 ILE A 71 4.204 -24.247 -23.594 1.00 50.51 C ATOM 1064 CD1 ILE A 71 4.369 -21.258 -23.255 1.00 62.21 C ATOM 0 H ILE A 71 2.834 -22.752 -20.039 1.00 61.43 H new ATOM 0 HA ILE A 71 2.080 -22.744 -22.871 1.00 32.42 H new ATOM 0 HB ILE A 71 4.341 -24.225 -21.466 1.00 41.21 H new ATOM 0 HG12 ILE A 71 4.593 -21.794 -21.203 1.00 21.44 H new ATOM 0 HG13 ILE A 71 5.821 -22.462 -22.259 1.00 21.44 H new ATOM 0 HG21 ILE A 71 5.270 -24.420 -23.738 1.00 50.51 H new ATOM 0 HG22 ILE A 71 3.676 -25.201 -23.611 1.00 50.51 H new ATOM 0 HG23 ILE A 71 3.828 -23.610 -24.394 1.00 50.51 H new ATOM 0 HD11 ILE A 71 4.960 -20.349 -23.142 1.00 62.21 H new ATOM 0 HD12 ILE A 71 4.558 -21.694 -24.236 1.00 62.21 H new ATOM 0 HD13 ILE A 71 3.310 -21.016 -23.163 1.00 62.21 H new ATOM 1076 N THR A 72 0.641 -24.769 -22.657 1.00 2.23 N ATOM 1077 CA THR A 72 -0.142 -25.998 -22.658 1.00 53.32 C ATOM 1078 C THR A 72 0.026 -26.755 -23.970 1.00 71.41 C ATOM 1079 O THR A 72 -0.745 -27.665 -24.275 1.00 11.32 O ATOM 1080 CB THR A 72 -1.639 -25.710 -22.433 1.00 23.13 C ATOM 1081 OG1 THR A 72 -1.997 -24.469 -23.050 1.00 55.10 O ATOM 1082 CG2 THR A 72 -1.961 -25.655 -20.947 1.00 73.41 C ATOM 0 H THR A 72 0.263 -24.028 -23.247 1.00 2.23 H new ATOM 0 HA THR A 72 0.230 -26.611 -21.837 1.00 53.32 H new ATOM 0 HB THR A 72 -2.214 -26.518 -22.884 1.00 23.13 H new ATOM 0 HG1 THR A 72 -2.950 -24.294 -22.904 1.00 55.10 H new ATOM 0 HG21 THR A 72 -3.023 -25.451 -20.812 1.00 73.41 H new ATOM 0 HG22 THR A 72 -1.714 -26.611 -20.486 1.00 73.41 H new ATOM 0 HG23 THR A 72 -1.377 -24.864 -20.477 1.00 73.41 H new ATOM 1090 N GLU A 73 1.039 -26.375 -24.742 1.00 51.14 N ATOM 1091 CA GLU A 73 1.306 -27.019 -26.023 1.00 23.31 C ATOM 1092 C GLU A 73 2.008 -28.359 -25.822 1.00 24.14 C ATOM 1093 O GLU A 73 2.733 -28.552 -24.845 1.00 41.24 O ATOM 1094 CB GLU A 73 2.162 -26.110 -26.907 1.00 62.35 C ATOM 1095 CG GLU A 73 1.410 -24.908 -27.453 1.00 31.12 C ATOM 1096 CD GLU A 73 1.064 -23.898 -26.376 1.00 22.54 C ATOM 1097 OE1 GLU A 73 -0.082 -23.929 -25.881 1.00 32.03 O ATOM 1098 OE2 GLU A 73 1.939 -23.078 -26.028 1.00 31.24 O ATOM 0 H GLU A 73 1.688 -25.625 -24.503 1.00 51.14 H new ATOM 0 HA GLU A 73 0.351 -27.199 -26.517 1.00 23.31 H new ATOM 0 HB2 GLU A 73 3.019 -25.761 -26.332 1.00 62.35 H new ATOM 0 HB3 GLU A 73 2.554 -26.692 -27.741 1.00 62.35 H new ATOM 0 HG2 GLU A 73 2.015 -24.423 -28.220 1.00 31.12 H new ATOM 0 HG3 GLU A 73 0.494 -25.246 -27.936 1.00 31.12 H new ATOM 1105 N SER A 74 1.787 -29.282 -26.752 1.00 63.12 N ATOM 1106 CA SER A 74 2.394 -30.606 -26.675 1.00 44.35 C ATOM 1107 C SER A 74 3.749 -30.623 -27.377 1.00 22.43 C ATOM 1108 O SER A 74 4.702 -31.241 -26.899 1.00 75.10 O ATOM 1109 CB SER A 74 1.470 -31.651 -27.302 1.00 34.22 C ATOM 1110 OG SER A 74 0.991 -31.218 -28.563 1.00 73.32 O ATOM 0 H SER A 74 1.192 -29.138 -27.568 1.00 63.12 H new ATOM 0 HA SER A 74 2.545 -30.849 -25.623 1.00 44.35 H new ATOM 0 HB2 SER A 74 2.007 -32.593 -27.417 1.00 34.22 H new ATOM 0 HB3 SER A 74 0.628 -31.843 -26.636 1.00 34.22 H new ATOM 0 HG SER A 74 0.404 -31.905 -28.943 1.00 73.32 H new ATOM 1116 N THR A 75 3.829 -29.940 -28.515 1.00 33.44 N ATOM 1117 CA THR A 75 5.065 -29.878 -29.284 1.00 31.11 C ATOM 1118 C THR A 75 6.211 -29.333 -28.439 1.00 61.34 C ATOM 1119 O THR A 75 6.024 -28.984 -27.275 1.00 14.33 O ATOM 1120 CB THR A 75 4.903 -28.998 -30.538 1.00 14.04 C ATOM 1121 OG1 THR A 75 4.369 -27.720 -30.173 1.00 73.24 O ATOM 1122 CG2 THR A 75 3.987 -29.665 -31.552 1.00 72.44 C ATOM 0 H THR A 75 3.052 -29.422 -28.924 1.00 33.44 H new ATOM 0 HA THR A 75 5.297 -30.897 -29.592 1.00 31.11 H new ATOM 0 HB THR A 75 5.885 -28.865 -30.992 1.00 14.04 H new ATOM 0 HG1 THR A 75 4.270 -27.165 -30.975 1.00 73.24 H new ATOM 0 HG21 THR A 75 3.888 -29.025 -32.429 1.00 72.44 H new ATOM 0 HG22 THR A 75 4.410 -30.624 -31.849 1.00 72.44 H new ATOM 0 HG23 THR A 75 3.005 -29.824 -31.106 1.00 72.44 H new ATOM 1130 N GLU A 76 7.398 -29.264 -29.035 1.00 13.42 N ATOM 1131 CA GLU A 76 8.574 -28.762 -28.335 1.00 25.00 C ATOM 1132 C GLU A 76 8.997 -27.403 -28.885 1.00 53.24 C ATOM 1133 O GLU A 76 8.621 -27.027 -29.995 1.00 21.00 O ATOM 1134 CB GLU A 76 9.731 -29.756 -28.459 1.00 21.25 C ATOM 1135 CG GLU A 76 10.343 -29.808 -29.848 1.00 60.33 C ATOM 1136 CD GLU A 76 11.178 -31.054 -30.072 1.00 34.51 C ATOM 1137 OE1 GLU A 76 12.187 -30.968 -30.802 1.00 25.34 O ATOM 1138 OE2 GLU A 76 10.821 -32.115 -29.518 1.00 21.21 O ATOM 0 H GLU A 76 7.570 -29.549 -29.999 1.00 13.42 H new ATOM 0 HA GLU A 76 8.315 -28.644 -27.283 1.00 25.00 H new ATOM 0 HB2 GLU A 76 10.506 -29.490 -27.740 1.00 21.25 H new ATOM 0 HB3 GLU A 76 9.375 -30.751 -28.191 1.00 21.25 H new ATOM 0 HG2 GLU A 76 9.548 -29.769 -30.593 1.00 60.33 H new ATOM 0 HG3 GLU A 76 10.965 -28.926 -30.000 1.00 60.33 H new ATOM 1145 N ASN A 77 9.780 -26.670 -28.100 1.00 71.32 N ATOM 1146 CA ASN A 77 10.254 -25.353 -28.508 1.00 51.23 C ATOM 1147 C ASN A 77 9.084 -24.437 -28.853 1.00 52.45 C ATOM 1148 O ASN A 77 9.148 -23.664 -29.810 1.00 1.05 O ATOM 1149 CB ASN A 77 11.192 -25.475 -29.711 1.00 22.34 C ATOM 1150 CG ASN A 77 12.317 -26.463 -29.468 1.00 73.50 C ATOM 1151 OD1 ASN A 77 12.781 -26.628 -28.340 1.00 34.34 O ATOM 1152 ND2 ASN A 77 12.761 -27.127 -30.530 1.00 14.55 N ATOM 0 H ASN A 77 10.100 -26.966 -27.178 1.00 71.32 H new ATOM 0 HA ASN A 77 10.801 -24.916 -27.672 1.00 51.23 H new ATOM 0 HB2 ASN A 77 10.620 -25.788 -30.584 1.00 22.34 H new ATOM 0 HB3 ASN A 77 11.614 -24.497 -29.940 1.00 22.34 H new ATOM 0 HD21 ASN A 77 13.516 -27.805 -30.428 1.00 14.55 H new ATOM 0 HD22 ASN A 77 12.347 -26.958 -31.447 1.00 14.55 H new ATOM 1159 N SER A 78 8.016 -24.529 -28.068 1.00 15.52 N ATOM 1160 CA SER A 78 6.830 -23.710 -28.291 1.00 52.31 C ATOM 1161 C SER A 78 7.104 -22.250 -27.943 1.00 43.21 C ATOM 1162 O SER A 78 8.085 -21.933 -27.270 1.00 23.33 O ATOM 1163 CB SER A 78 5.658 -24.233 -27.458 1.00 4.14 C ATOM 1164 OG SER A 78 4.428 -23.701 -27.917 1.00 11.34 O ATOM 0 H SER A 78 7.947 -25.163 -27.272 1.00 15.52 H new ATOM 0 HA SER A 78 6.571 -23.771 -29.348 1.00 52.31 H new ATOM 0 HB2 SER A 78 5.629 -25.321 -27.509 1.00 4.14 H new ATOM 0 HB3 SER A 78 5.805 -23.967 -26.411 1.00 4.14 H new ATOM 0 HG SER A 78 3.814 -23.596 -27.160 1.00 11.34 H new ATOM 1170 N LYS A 79 6.230 -21.363 -28.407 1.00 63.22 N ATOM 1171 CA LYS A 79 6.375 -19.936 -28.145 1.00 71.13 C ATOM 1172 C LYS A 79 5.026 -19.303 -27.820 1.00 32.21 C ATOM 1173 O LYS A 79 3.982 -19.781 -28.265 1.00 5.33 O ATOM 1174 CB LYS A 79 7.001 -19.236 -29.354 1.00 14.35 C ATOM 1175 CG LYS A 79 8.479 -19.536 -29.533 1.00 33.33 C ATOM 1176 CD LYS A 79 8.697 -20.759 -30.408 1.00 31.34 C ATOM 1177 CE LYS A 79 8.751 -20.388 -31.882 1.00 4.45 C ATOM 1178 NZ LYS A 79 8.828 -21.592 -32.755 1.00 5.53 N ATOM 0 H LYS A 79 5.413 -21.608 -28.967 1.00 63.22 H new ATOM 0 HA LYS A 79 7.031 -19.815 -27.283 1.00 71.13 H new ATOM 0 HB2 LYS A 79 6.466 -19.537 -30.255 1.00 14.35 H new ATOM 0 HB3 LYS A 79 6.868 -18.159 -29.249 1.00 14.35 H new ATOM 0 HG2 LYS A 79 8.975 -18.674 -29.980 1.00 33.33 H new ATOM 0 HG3 LYS A 79 8.939 -19.698 -28.558 1.00 33.33 H new ATOM 0 HD2 LYS A 79 9.626 -21.252 -30.122 1.00 31.34 H new ATOM 0 HD3 LYS A 79 7.892 -21.475 -30.241 1.00 31.34 H new ATOM 0 HE2 LYS A 79 7.867 -19.806 -32.143 1.00 4.45 H new ATOM 0 HE3 LYS A 79 9.617 -19.751 -32.065 1.00 4.45 H new ATOM 0 HZ1 LYS A 79 8.863 -21.297 -33.752 1.00 5.53 H new ATOM 0 HZ2 LYS A 79 9.685 -22.134 -32.524 1.00 5.53 H new ATOM 0 HZ3 LYS A 79 7.990 -22.188 -32.600 1.00 5.53 H new ATOM 1192 N MET A 80 5.055 -18.226 -27.043 1.00 11.44 N ATOM 1193 CA MET A 80 3.833 -17.527 -26.659 1.00 65.04 C ATOM 1194 C MET A 80 4.090 -16.032 -26.496 1.00 64.35 C ATOM 1195 O MET A 80 5.140 -15.624 -26.000 1.00 61.25 O ATOM 1196 CB MET A 80 3.277 -18.106 -25.357 1.00 51.40 C ATOM 1197 CG MET A 80 2.419 -19.344 -25.560 1.00 22.11 C ATOM 1198 SD MET A 80 0.847 -18.976 -26.362 1.00 33.32 S ATOM 1199 CE MET A 80 0.765 -20.298 -27.568 1.00 53.43 C ATOM 0 H MET A 80 5.911 -17.818 -26.667 1.00 11.44 H new ATOM 0 HA MET A 80 3.099 -17.667 -27.453 1.00 65.04 H new ATOM 0 HB2 MET A 80 4.107 -18.354 -24.695 1.00 51.40 H new ATOM 0 HB3 MET A 80 2.685 -17.342 -24.853 1.00 51.40 H new ATOM 0 HG2 MET A 80 2.969 -20.068 -26.162 1.00 22.11 H new ATOM 0 HG3 MET A 80 2.229 -19.812 -24.594 1.00 22.11 H new ATOM 0 HE1 MET A 80 0.594 -19.877 -28.559 1.00 53.43 H new ATOM 0 HE2 MET A 80 1.704 -20.851 -27.566 1.00 53.43 H new ATOM 0 HE3 MET A 80 -0.053 -20.972 -27.314 1.00 53.43 H new ATOM 1209 N MET A 81 3.125 -15.221 -26.918 1.00 24.25 N ATOM 1210 CA MET A 81 3.248 -13.772 -26.817 1.00 0.52 C ATOM 1211 C MET A 81 2.649 -13.265 -25.509 1.00 15.12 C ATOM 1212 O MET A 81 1.631 -13.777 -25.041 1.00 73.21 O ATOM 1213 CB MET A 81 2.557 -13.096 -28.003 1.00 65.22 C ATOM 1214 CG MET A 81 2.852 -11.609 -28.111 1.00 54.24 C ATOM 1215 SD MET A 81 1.792 -10.777 -29.310 1.00 1.43 S ATOM 1216 CE MET A 81 0.461 -10.213 -28.251 1.00 63.43 C ATOM 0 H MET A 81 2.250 -15.543 -27.333 1.00 24.25 H new ATOM 0 HA MET A 81 4.309 -13.521 -26.832 1.00 0.52 H new ATOM 0 HB2 MET A 81 2.870 -13.588 -28.924 1.00 65.22 H new ATOM 0 HB3 MET A 81 1.480 -13.239 -27.915 1.00 65.22 H new ATOM 0 HG2 MET A 81 2.723 -11.145 -27.133 1.00 54.24 H new ATOM 0 HG3 MET A 81 3.895 -11.469 -28.395 1.00 54.24 H new ATOM 0 HE1 MET A 81 -0.277 -9.678 -28.848 1.00 63.43 H new ATOM 0 HE2 MET A 81 -0.012 -11.071 -27.773 1.00 63.43 H new ATOM 0 HE3 MET A 81 0.861 -9.547 -27.487 1.00 63.43 H new ATOM 1226 N LEU A 82 3.285 -12.257 -24.923 1.00 2.02 N ATOM 1227 CA LEU A 82 2.815 -11.682 -23.667 1.00 42.22 C ATOM 1228 C LEU A 82 2.609 -10.176 -23.801 1.00 65.42 C ATOM 1229 O LEU A 82 3.171 -9.541 -24.692 1.00 45.15 O ATOM 1230 CB LEU A 82 3.813 -11.974 -22.545 1.00 14.22 C ATOM 1231 CG LEU A 82 4.112 -13.450 -22.280 1.00 41.31 C ATOM 1232 CD1 LEU A 82 5.303 -13.593 -21.345 1.00 70.53 C ATOM 1233 CD2 LEU A 82 2.890 -14.146 -21.700 1.00 74.35 C ATOM 0 H LEU A 82 4.128 -11.821 -25.297 1.00 2.02 H new ATOM 0 HA LEU A 82 1.857 -12.141 -23.422 1.00 42.22 H new ATOM 0 HB2 LEU A 82 4.751 -11.470 -22.780 1.00 14.22 H new ATOM 0 HB3 LEU A 82 3.434 -11.530 -21.624 1.00 14.22 H new ATOM 0 HG LEU A 82 4.361 -13.927 -23.228 1.00 41.31 H new ATOM 0 HD11 LEU A 82 5.501 -14.650 -21.168 1.00 70.53 H new ATOM 0 HD12 LEU A 82 6.179 -13.131 -21.799 1.00 70.53 H new ATOM 0 HD13 LEU A 82 5.083 -13.101 -20.398 1.00 70.53 H new ATOM 0 HD21 LEU A 82 3.121 -15.195 -21.518 1.00 74.35 H new ATOM 0 HD22 LEU A 82 2.610 -13.668 -20.761 1.00 74.35 H new ATOM 0 HD23 LEU A 82 2.062 -14.074 -22.405 1.00 74.35 H new ATOM 1245 N GLU A 83 1.802 -9.613 -22.908 1.00 51.22 N ATOM 1246 CA GLU A 83 1.522 -8.182 -22.928 1.00 43.20 C ATOM 1247 C GLU A 83 2.155 -7.487 -21.725 1.00 73.15 C ATOM 1248 O GLU A 83 1.959 -7.900 -20.582 1.00 23.34 O ATOM 1249 CB GLU A 83 0.012 -7.935 -22.938 1.00 3.34 C ATOM 1250 CG GLU A 83 -0.613 -8.043 -24.318 1.00 35.10 C ATOM 1251 CD GLU A 83 -0.485 -6.762 -25.119 1.00 13.12 C ATOM 1252 OE1 GLU A 83 0.149 -5.810 -24.617 1.00 32.12 O ATOM 1253 OE2 GLU A 83 -1.019 -6.711 -26.247 1.00 2.54 O ATOM 0 H GLU A 83 1.331 -10.125 -22.162 1.00 51.22 H new ATOM 0 HA GLU A 83 1.957 -7.765 -23.837 1.00 43.20 H new ATOM 0 HB2 GLU A 83 -0.469 -8.652 -22.273 1.00 3.34 H new ATOM 0 HB3 GLU A 83 -0.188 -6.942 -22.534 1.00 3.34 H new ATOM 0 HG2 GLU A 83 -0.138 -8.858 -24.865 1.00 35.10 H new ATOM 0 HG3 GLU A 83 -1.668 -8.299 -24.216 1.00 35.10 H new ATOM 1260 N LEU A 84 2.914 -6.430 -21.992 1.00 71.23 N ATOM 1261 CA LEU A 84 3.576 -5.677 -20.933 1.00 24.10 C ATOM 1262 C LEU A 84 3.331 -4.180 -21.094 1.00 21.22 C ATOM 1263 O LEU A 84 3.236 -3.673 -22.212 1.00 31.33 O ATOM 1264 CB LEU A 84 5.079 -5.963 -20.940 1.00 42.23 C ATOM 1265 CG LEU A 84 5.529 -7.211 -20.180 1.00 72.11 C ATOM 1266 CD1 LEU A 84 5.373 -8.450 -21.048 1.00 54.13 C ATOM 1267 CD2 LEU A 84 6.970 -7.062 -19.715 1.00 11.13 C ATOM 0 H LEU A 84 3.086 -6.075 -22.933 1.00 71.23 H new ATOM 0 HA LEU A 84 3.156 -5.994 -19.978 1.00 24.10 H new ATOM 0 HB2 LEU A 84 5.406 -6.055 -21.976 1.00 42.23 H new ATOM 0 HB3 LEU A 84 5.595 -5.100 -20.519 1.00 42.23 H new ATOM 0 HG LEU A 84 4.895 -7.326 -19.301 1.00 72.11 H new ATOM 0 HD11 LEU A 84 5.698 -9.328 -20.490 1.00 54.13 H new ATOM 0 HD12 LEU A 84 4.327 -8.567 -21.331 1.00 54.13 H new ATOM 0 HD13 LEU A 84 5.982 -8.344 -21.946 1.00 54.13 H new ATOM 0 HD21 LEU A 84 7.273 -7.960 -19.176 1.00 11.13 H new ATOM 0 HD22 LEU A 84 7.619 -6.922 -20.580 1.00 11.13 H new ATOM 0 HD23 LEU A 84 7.052 -6.198 -19.056 1.00 11.13 H new ATOM 1279 N ASP A 85 3.232 -3.478 -19.970 1.00 72.34 N ATOM 1280 CA ASP A 85 3.001 -2.038 -19.986 1.00 63.43 C ATOM 1281 C ASP A 85 3.856 -1.340 -18.933 1.00 54.31 C ATOM 1282 O ASP A 85 3.360 -0.865 -17.911 1.00 73.11 O ATOM 1283 CB ASP A 85 1.522 -1.735 -19.745 1.00 10.54 C ATOM 1284 CG ASP A 85 1.191 -0.270 -19.951 1.00 13.54 C ATOM 1285 OD1 ASP A 85 0.766 0.092 -21.068 1.00 62.34 O ATOM 1286 OD2 ASP A 85 1.355 0.516 -18.994 1.00 21.32 O ATOM 0 H ASP A 85 3.308 -3.883 -19.037 1.00 72.34 H new ATOM 0 HA ASP A 85 3.285 -1.659 -20.968 1.00 63.43 H new ATOM 0 HB2 ASP A 85 0.916 -2.340 -20.419 1.00 10.54 H new ATOM 0 HB3 ASP A 85 1.255 -2.026 -18.729 1.00 10.54 H new ATOM 1291 N PRO A 86 5.171 -1.275 -19.186 1.00 24.03 N ATOM 1292 CA PRO A 86 6.123 -0.637 -18.271 1.00 55.41 C ATOM 1293 C PRO A 86 5.957 0.879 -18.227 1.00 70.45 C ATOM 1294 O PRO A 86 5.269 1.476 -19.056 1.00 4.23 O ATOM 1295 CB PRO A 86 7.485 -1.009 -18.860 1.00 45.22 C ATOM 1296 CG PRO A 86 7.220 -1.248 -20.306 1.00 64.25 C ATOM 1297 CD PRO A 86 5.832 -1.820 -20.384 1.00 13.31 C ATOM 0 HA PRO A 86 5.984 -0.968 -17.242 1.00 55.41 H new ATOM 0 HB2 PRO A 86 8.210 -0.208 -18.718 1.00 45.22 H new ATOM 0 HB3 PRO A 86 7.894 -1.898 -18.380 1.00 45.22 H new ATOM 0 HG2 PRO A 86 7.292 -0.321 -20.874 1.00 64.25 H new ATOM 0 HG3 PRO A 86 7.951 -1.938 -20.728 1.00 64.25 H new ATOM 0 HD2 PRO A 86 5.322 -1.515 -21.298 1.00 13.31 H new ATOM 0 HD3 PRO A 86 5.845 -2.910 -20.375 1.00 13.31 H new ATOM 1305 N PRO A 87 6.601 1.517 -17.239 1.00 65.14 N ATOM 1306 CA PRO A 87 6.541 2.971 -17.065 1.00 44.21 C ATOM 1307 C PRO A 87 7.286 3.718 -18.166 1.00 42.31 C ATOM 1308 O PRO A 87 7.718 3.121 -19.152 1.00 42.45 O ATOM 1309 CB PRO A 87 7.222 3.195 -15.712 1.00 70.34 C ATOM 1310 CG PRO A 87 8.128 2.024 -15.546 1.00 45.24 C ATOM 1311 CD PRO A 87 7.439 0.868 -16.217 1.00 10.24 C ATOM 0 HA PRO A 87 5.518 3.345 -17.110 1.00 44.21 H new ATOM 0 HB2 PRO A 87 7.779 4.132 -15.699 1.00 70.34 H new ATOM 0 HB3 PRO A 87 6.491 3.248 -14.905 1.00 70.34 H new ATOM 0 HG2 PRO A 87 9.100 2.216 -16.000 1.00 45.24 H new ATOM 0 HG3 PRO A 87 8.305 1.814 -14.491 1.00 45.24 H new ATOM 0 HD2 PRO A 87 8.155 0.178 -16.663 1.00 10.24 H new ATOM 0 HD3 PRO A 87 6.839 0.293 -15.511 1.00 10.24 H new ATOM 1319 N PHE A 88 7.434 5.027 -17.991 1.00 53.32 N ATOM 1320 CA PHE A 88 8.127 5.856 -18.971 1.00 14.34 C ATOM 1321 C PHE A 88 9.590 6.048 -18.583 1.00 71.11 C ATOM 1322 O PHE A 88 9.897 6.548 -17.502 1.00 13.41 O ATOM 1323 CB PHE A 88 7.438 7.217 -19.097 1.00 23.03 C ATOM 1324 CG PHE A 88 5.983 7.122 -19.456 1.00 31.43 C ATOM 1325 CD1 PHE A 88 5.572 7.237 -20.774 1.00 12.33 C ATOM 1326 CD2 PHE A 88 5.026 6.917 -18.475 1.00 31.22 C ATOM 1327 CE1 PHE A 88 4.233 7.150 -21.108 1.00 23.35 C ATOM 1328 CE2 PHE A 88 3.686 6.828 -18.803 1.00 22.14 C ATOM 1329 CZ PHE A 88 3.289 6.946 -20.120 1.00 63.33 C ATOM 0 H PHE A 88 7.083 5.537 -17.180 1.00 53.32 H new ATOM 0 HA PHE A 88 8.089 5.346 -19.934 1.00 14.34 H new ATOM 0 HB2 PHE A 88 7.537 7.754 -18.154 1.00 23.03 H new ATOM 0 HB3 PHE A 88 7.953 7.807 -19.855 1.00 23.03 H new ATOM 0 HD1 PHE A 88 6.306 7.397 -21.550 1.00 12.33 H new ATOM 0 HD2 PHE A 88 5.330 6.826 -17.443 1.00 31.22 H new ATOM 0 HE1 PHE A 88 3.926 7.241 -22.139 1.00 23.35 H new ATOM 0 HE2 PHE A 88 2.950 6.666 -18.029 1.00 22.14 H new ATOM 0 HZ PHE A 88 2.242 6.879 -20.378 1.00 63.33 H new ATOM 1339 N GLY A 89 10.490 5.645 -19.475 1.00 30.31 N ATOM 1340 CA GLY A 89 11.910 5.779 -19.208 1.00 62.13 C ATOM 1341 C GLY A 89 12.710 4.596 -19.716 1.00 72.44 C ATOM 1342 O GLY A 89 12.624 4.239 -20.892 1.00 25.34 O ATOM 0 H GLY A 89 10.261 5.228 -20.377 1.00 30.31 H new ATOM 0 HA2 GLY A 89 12.280 6.691 -19.676 1.00 62.13 H new ATOM 0 HA3 GLY A 89 12.066 5.885 -18.134 1.00 62.13 H new ATOM 1346 N ASP A 90 13.490 3.987 -18.830 1.00 61.23 N ATOM 1347 CA ASP A 90 14.310 2.838 -19.196 1.00 21.52 C ATOM 1348 C ASP A 90 14.175 1.723 -18.163 1.00 74.12 C ATOM 1349 O ASP A 90 14.226 1.970 -16.958 1.00 73.13 O ATOM 1350 CB ASP A 90 15.776 3.252 -19.328 1.00 65.31 C ATOM 1351 CG ASP A 90 16.371 3.707 -18.010 1.00 14.41 C ATOM 1352 OD1 ASP A 90 16.699 2.839 -17.175 1.00 31.43 O ATOM 1353 OD2 ASP A 90 16.508 4.933 -17.814 1.00 20.24 O ATOM 0 H ASP A 90 13.572 4.270 -17.853 1.00 61.23 H new ATOM 0 HA ASP A 90 13.958 2.463 -20.157 1.00 21.52 H new ATOM 0 HB2 ASP A 90 16.354 2.412 -19.713 1.00 65.31 H new ATOM 0 HB3 ASP A 90 15.859 4.057 -20.058 1.00 65.31 H new ATOM 1358 N SER A 91 14.001 0.496 -18.644 1.00 34.14 N ATOM 1359 CA SER A 91 13.853 -0.656 -17.762 1.00 60.42 C ATOM 1360 C SER A 91 14.646 -1.848 -18.289 1.00 24.41 C ATOM 1361 O SER A 91 15.236 -1.788 -19.368 1.00 3.21 O ATOM 1362 CB SER A 91 12.377 -1.033 -17.623 1.00 73.14 C ATOM 1363 OG SER A 91 11.965 -1.881 -18.682 1.00 11.42 O ATOM 0 H SER A 91 13.959 0.274 -19.639 1.00 34.14 H new ATOM 0 HA SER A 91 14.245 -0.385 -16.782 1.00 60.42 H new ATOM 0 HB2 SER A 91 12.215 -1.533 -16.668 1.00 73.14 H new ATOM 0 HB3 SER A 91 11.767 -0.130 -17.618 1.00 73.14 H new ATOM 0 HG SER A 91 10.990 -1.980 -18.662 1.00 11.42 H new ATOM 1369 N TYR A 92 14.656 -2.931 -17.519 1.00 51.03 N ATOM 1370 CA TYR A 92 15.379 -4.137 -17.905 1.00 54.15 C ATOM 1371 C TYR A 92 14.462 -5.356 -17.870 1.00 62.12 C ATOM 1372 O TYR A 92 14.131 -5.867 -16.800 1.00 4.02 O ATOM 1373 CB TYR A 92 16.576 -4.358 -16.979 1.00 53.13 C ATOM 1374 CG TYR A 92 17.787 -3.532 -17.348 1.00 64.12 C ATOM 1375 CD1 TYR A 92 18.338 -2.630 -16.446 1.00 63.12 C ATOM 1376 CD2 TYR A 92 18.381 -3.653 -18.599 1.00 14.23 C ATOM 1377 CE1 TYR A 92 19.445 -1.873 -16.779 1.00 11.21 C ATOM 1378 CE2 TYR A 92 19.488 -2.901 -18.940 1.00 1.15 C ATOM 1379 CZ TYR A 92 20.016 -2.012 -18.026 1.00 64.25 C ATOM 1380 OH TYR A 92 21.119 -1.260 -18.363 1.00 33.23 O ATOM 0 H TYR A 92 14.172 -2.998 -16.624 1.00 51.03 H new ATOM 0 HA TYR A 92 15.738 -4.004 -18.926 1.00 54.15 H new ATOM 0 HB2 TYR A 92 16.282 -4.121 -15.956 1.00 53.13 H new ATOM 0 HB3 TYR A 92 16.848 -5.413 -16.996 1.00 53.13 H new ATOM 0 HD1 TYR A 92 17.893 -2.519 -15.468 1.00 63.12 H new ATOM 0 HD2 TYR A 92 17.970 -4.347 -19.317 1.00 14.23 H new ATOM 0 HE1 TYR A 92 19.861 -1.176 -16.066 1.00 11.21 H new ATOM 0 HE2 TYR A 92 19.938 -3.008 -19.916 1.00 1.15 H new ATOM 0 HH TYR A 92 21.398 -1.479 -19.277 1.00 33.23 H new ATOM 1390 N ILE A 93 14.056 -5.817 -19.048 1.00 64.15 N ATOM 1391 CA ILE A 93 13.179 -6.977 -19.154 1.00 5.34 C ATOM 1392 C ILE A 93 13.931 -8.265 -18.835 1.00 50.14 C ATOM 1393 O ILE A 93 14.993 -8.532 -19.398 1.00 71.10 O ATOM 1394 CB ILE A 93 12.562 -7.090 -20.560 1.00 41.10 C ATOM 1395 CG1 ILE A 93 11.775 -5.822 -20.899 1.00 21.32 C ATOM 1396 CG2 ILE A 93 11.665 -8.316 -20.648 1.00 5.13 C ATOM 1397 CD1 ILE A 93 11.457 -5.684 -22.371 1.00 44.33 C ATOM 0 H ILE A 93 14.320 -5.405 -19.943 1.00 64.15 H new ATOM 0 HA ILE A 93 12.380 -6.836 -18.427 1.00 5.34 H new ATOM 0 HB ILE A 93 13.367 -7.200 -21.286 1.00 41.10 H new ATOM 0 HG12 ILE A 93 10.844 -5.820 -20.333 1.00 21.32 H new ATOM 0 HG13 ILE A 93 12.347 -4.952 -20.576 1.00 21.32 H new ATOM 0 HG21 ILE A 93 11.236 -8.382 -21.648 1.00 5.13 H new ATOM 0 HG22 ILE A 93 12.252 -9.212 -20.445 1.00 5.13 H new ATOM 0 HG23 ILE A 93 10.863 -8.234 -19.914 1.00 5.13 H new ATOM 0 HD11 ILE A 93 10.898 -4.763 -22.538 1.00 44.33 H new ATOM 0 HD12 ILE A 93 12.385 -5.654 -22.942 1.00 44.33 H new ATOM 0 HD13 ILE A 93 10.858 -6.535 -22.695 1.00 44.33 H new ATOM 1409 N VAL A 94 13.372 -9.062 -17.930 1.00 53.33 N ATOM 1410 CA VAL A 94 13.988 -10.324 -17.538 1.00 15.31 C ATOM 1411 C VAL A 94 12.955 -11.443 -17.477 1.00 32.54 C ATOM 1412 O VAL A 94 11.849 -11.255 -16.969 1.00 1.43 O ATOM 1413 CB VAL A 94 14.684 -10.207 -16.169 1.00 13.20 C ATOM 1414 CG1 VAL A 94 15.319 -11.532 -15.778 1.00 32.42 C ATOM 1415 CG2 VAL A 94 15.722 -9.095 -16.193 1.00 31.21 C ATOM 0 H VAL A 94 12.493 -8.856 -17.454 1.00 53.33 H new ATOM 0 HA VAL A 94 14.733 -10.562 -18.297 1.00 15.31 H new ATOM 0 HB VAL A 94 13.934 -9.956 -15.419 1.00 13.20 H new ATOM 0 HG11 VAL A 94 15.806 -11.430 -14.808 1.00 32.42 H new ATOM 0 HG12 VAL A 94 14.549 -12.301 -15.718 1.00 32.42 H new ATOM 0 HG13 VAL A 94 16.058 -11.816 -16.527 1.00 32.42 H new ATOM 0 HG21 VAL A 94 16.204 -9.026 -15.218 1.00 31.21 H new ATOM 0 HG22 VAL A 94 16.472 -9.313 -16.954 1.00 31.21 H new ATOM 0 HG23 VAL A 94 15.235 -8.148 -16.425 1.00 31.21 H new ATOM 1425 N ILE A 95 13.323 -12.609 -17.997 1.00 20.43 N ATOM 1426 CA ILE A 95 12.428 -13.760 -18.001 1.00 24.23 C ATOM 1427 C ILE A 95 12.889 -14.818 -17.004 1.00 11.15 C ATOM 1428 O ILE A 95 13.863 -15.530 -17.243 1.00 71.14 O ATOM 1429 CB ILE A 95 12.335 -14.396 -19.400 1.00 65.13 C ATOM 1430 CG1 ILE A 95 11.846 -13.367 -20.421 1.00 14.43 C ATOM 1431 CG2 ILE A 95 11.411 -15.604 -19.373 1.00 31.01 C ATOM 1432 CD1 ILE A 95 10.466 -12.826 -20.119 1.00 15.13 C ATOM 0 H ILE A 95 14.234 -12.782 -18.421 1.00 20.43 H new ATOM 0 HA ILE A 95 11.443 -13.395 -17.711 1.00 24.23 H new ATOM 0 HB ILE A 95 13.329 -14.730 -19.697 1.00 65.13 H new ATOM 0 HG12 ILE A 95 12.553 -12.538 -20.457 1.00 14.43 H new ATOM 0 HG13 ILE A 95 11.840 -13.823 -21.411 1.00 14.43 H new ATOM 0 HG21 ILE A 95 11.356 -16.042 -20.369 1.00 31.01 H new ATOM 0 HG22 ILE A 95 11.799 -16.343 -18.672 1.00 31.01 H new ATOM 0 HG23 ILE A 95 10.415 -15.293 -19.058 1.00 31.01 H new ATOM 0 HD11 ILE A 95 10.184 -12.102 -20.883 1.00 15.13 H new ATOM 0 HD12 ILE A 95 9.747 -13.646 -20.112 1.00 15.13 H new ATOM 0 HD13 ILE A 95 10.471 -12.340 -19.143 1.00 15.13 H new ATOM 1444 N GLY A 96 12.180 -14.916 -15.883 1.00 74.11 N ATOM 1445 CA GLY A 96 12.529 -15.891 -14.867 1.00 22.22 C ATOM 1446 C GLY A 96 13.981 -15.792 -14.443 1.00 1.52 C ATOM 1447 O GLY A 96 14.655 -14.803 -14.736 1.00 34.45 O ATOM 0 H GLY A 96 11.370 -14.337 -15.661 1.00 74.11 H new ATOM 0 HA2 GLY A 96 11.889 -15.749 -13.996 1.00 22.22 H new ATOM 0 HA3 GLY A 96 12.332 -16.893 -15.247 1.00 22.22 H new ATOM 1451 N VAL A 97 14.465 -16.817 -13.749 1.00 62.02 N ATOM 1452 CA VAL A 97 15.846 -16.840 -13.283 1.00 24.43 C ATOM 1453 C VAL A 97 16.473 -18.215 -13.490 1.00 1.33 C ATOM 1454 O VAL A 97 15.774 -19.225 -13.546 1.00 71.32 O ATOM 1455 CB VAL A 97 15.942 -16.464 -11.792 1.00 72.02 C ATOM 1456 CG1 VAL A 97 15.309 -15.104 -11.543 1.00 55.43 C ATOM 1457 CG2 VAL A 97 15.286 -17.532 -10.930 1.00 62.33 C ATOM 0 H VAL A 97 13.921 -17.642 -13.497 1.00 62.02 H new ATOM 0 HA VAL A 97 16.391 -16.102 -13.872 1.00 24.43 H new ATOM 0 HB VAL A 97 16.995 -16.404 -11.517 1.00 72.02 H new ATOM 0 HG11 VAL A 97 15.386 -14.855 -10.485 1.00 55.43 H new ATOM 0 HG12 VAL A 97 15.828 -14.348 -12.132 1.00 55.43 H new ATOM 0 HG13 VAL A 97 14.259 -15.133 -11.833 1.00 55.43 H new ATOM 0 HG21 VAL A 97 15.363 -17.250 -9.880 1.00 62.33 H new ATOM 0 HG22 VAL A 97 14.235 -17.626 -11.204 1.00 62.33 H new ATOM 0 HG23 VAL A 97 15.789 -18.486 -11.087 1.00 62.33 H new ATOM 1467 N GLY A 98 17.798 -18.244 -13.602 1.00 33.42 N ATOM 1468 CA GLY A 98 18.497 -19.500 -13.803 1.00 42.10 C ATOM 1469 C GLY A 98 19.896 -19.303 -14.353 1.00 53.33 C ATOM 1470 O GLY A 98 20.488 -18.236 -14.193 1.00 15.13 O ATOM 0 H GLY A 98 18.399 -17.421 -13.557 1.00 33.42 H new ATOM 0 HA2 GLY A 98 18.554 -20.036 -12.856 1.00 42.10 H new ATOM 0 HA3 GLY A 98 17.925 -20.125 -14.489 1.00 42.10 H new ATOM 1474 N GLU A 99 20.426 -20.335 -15.003 1.00 14.34 N ATOM 1475 CA GLU A 99 21.765 -20.270 -15.576 1.00 12.51 C ATOM 1476 C GLU A 99 21.735 -19.617 -16.955 1.00 1.00 C ATOM 1477 O GLU A 99 22.673 -18.921 -17.346 1.00 14.02 O ATOM 1478 CB GLU A 99 22.370 -21.672 -15.676 1.00 14.51 C ATOM 1479 CG GLU A 99 22.388 -22.422 -14.355 1.00 31.11 C ATOM 1480 CD GLU A 99 23.058 -23.778 -14.464 1.00 3.14 C ATOM 1481 OE1 GLU A 99 22.350 -24.769 -14.741 1.00 2.41 O ATOM 1482 OE2 GLU A 99 24.290 -23.849 -14.271 1.00 40.52 O ATOM 0 H GLU A 99 19.949 -21.225 -15.146 1.00 14.34 H new ATOM 0 HA GLU A 99 22.385 -19.661 -14.918 1.00 12.51 H new ATOM 0 HB2 GLU A 99 21.804 -22.252 -16.406 1.00 14.51 H new ATOM 0 HB3 GLU A 99 23.390 -21.593 -16.053 1.00 14.51 H new ATOM 0 HG2 GLU A 99 22.908 -21.823 -13.608 1.00 31.11 H new ATOM 0 HG3 GLU A 99 21.365 -22.553 -14.002 1.00 31.11 H new ATOM 1489 N LYS A 100 20.652 -19.847 -17.689 1.00 33.42 N ATOM 1490 CA LYS A 100 20.496 -19.282 -19.024 1.00 5.44 C ATOM 1491 C LYS A 100 19.719 -17.970 -18.972 1.00 22.23 C ATOM 1492 O LYS A 100 18.956 -17.652 -19.884 1.00 60.10 O ATOM 1493 CB LYS A 100 19.780 -20.275 -19.941 1.00 63.30 C ATOM 1494 CG LYS A 100 20.492 -21.611 -20.065 1.00 25.13 C ATOM 1495 CD LYS A 100 21.875 -21.452 -20.675 1.00 52.31 C ATOM 1496 CE LYS A 100 22.337 -22.734 -21.350 1.00 41.35 C ATOM 1497 NZ LYS A 100 23.807 -22.735 -21.592 1.00 55.41 N ATOM 0 H LYS A 100 19.868 -20.422 -17.381 1.00 33.42 H new ATOM 0 HA LYS A 100 21.490 -19.080 -19.424 1.00 5.44 H new ATOM 0 HB2 LYS A 100 18.772 -20.444 -19.563 1.00 63.30 H new ATOM 0 HB3 LYS A 100 19.679 -19.833 -20.932 1.00 63.30 H new ATOM 0 HG2 LYS A 100 20.578 -22.071 -19.081 1.00 25.13 H new ATOM 0 HG3 LYS A 100 19.897 -22.285 -20.681 1.00 25.13 H new ATOM 0 HD2 LYS A 100 21.862 -20.641 -21.403 1.00 52.31 H new ATOM 0 HD3 LYS A 100 22.586 -21.172 -19.898 1.00 52.31 H new ATOM 0 HE2 LYS A 100 22.071 -23.588 -20.728 1.00 41.35 H new ATOM 0 HE3 LYS A 100 21.813 -22.855 -22.298 1.00 41.35 H new ATOM 0 HZ1 LYS A 100 24.082 -23.625 -22.053 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 24.058 -21.935 -22.207 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 24.308 -22.646 -20.685 1.00 55.41 H new ATOM 1511 N LYS A 101 19.919 -17.211 -17.899 1.00 71.44 N ATOM 1512 CA LYS A 101 19.240 -15.932 -17.730 1.00 23.14 C ATOM 1513 C LYS A 101 19.409 -15.058 -18.968 1.00 42.02 C ATOM 1514 O LYS A 101 20.420 -15.144 -19.667 1.00 35.31 O ATOM 1515 CB LYS A 101 19.784 -15.202 -16.499 1.00 70.33 C ATOM 1516 CG LYS A 101 18.885 -15.313 -15.280 1.00 1.11 C ATOM 1517 CD LYS A 101 17.637 -14.458 -15.428 1.00 25.24 C ATOM 1518 CE LYS A 101 17.415 -13.581 -14.205 1.00 42.43 C ATOM 1519 NZ LYS A 101 18.145 -12.287 -14.311 1.00 64.10 N ATOM 0 H LYS A 101 20.546 -17.460 -17.134 1.00 71.44 H new ATOM 0 HA LYS A 101 18.177 -16.129 -17.589 1.00 23.14 H new ATOM 0 HB2 LYS A 101 20.767 -15.604 -16.253 1.00 70.33 H new ATOM 0 HB3 LYS A 101 19.923 -14.149 -16.743 1.00 70.33 H new ATOM 0 HG2 LYS A 101 18.598 -16.354 -15.132 1.00 1.11 H new ATOM 0 HG3 LYS A 101 19.436 -15.004 -14.391 1.00 1.11 H new ATOM 0 HD2 LYS A 101 17.727 -13.831 -16.315 1.00 25.24 H new ATOM 0 HD3 LYS A 101 16.770 -15.101 -15.579 1.00 25.24 H new ATOM 0 HE2 LYS A 101 16.349 -13.388 -14.085 1.00 42.43 H new ATOM 0 HE3 LYS A 101 17.745 -14.112 -13.312 1.00 42.43 H new ATOM 0 HZ1 LYS A 101 17.838 -11.652 -13.547 1.00 64.10 H new ATOM 0 HZ2 LYS A 101 19.168 -12.458 -14.230 1.00 64.10 H new ATOM 0 HZ3 LYS A 101 17.940 -11.847 -15.231 1.00 64.10 H new ATOM 1533 N ILE A 102 18.415 -14.217 -19.233 1.00 44.31 N ATOM 1534 CA ILE A 102 18.455 -13.327 -20.387 1.00 24.00 C ATOM 1535 C ILE A 102 18.132 -11.892 -19.986 1.00 1.21 C ATOM 1536 O ILE A 102 17.373 -11.653 -19.046 1.00 21.42 O ATOM 1537 CB ILE A 102 17.468 -13.778 -21.480 1.00 2.42 C ATOM 1538 CG1 ILE A 102 16.027 -13.625 -20.990 1.00 13.40 C ATOM 1539 CG2 ILE A 102 17.746 -15.218 -21.883 1.00 41.15 C ATOM 1540 CD1 ILE A 102 14.993 -14.033 -22.016 1.00 63.13 C ATOM 0 H ILE A 102 17.572 -14.133 -18.664 1.00 44.31 H new ATOM 0 HA ILE A 102 19.469 -13.371 -20.784 1.00 24.00 H new ATOM 0 HB ILE A 102 17.604 -13.144 -22.356 1.00 2.42 H new ATOM 0 HG12 ILE A 102 15.892 -14.226 -20.091 1.00 13.40 H new ATOM 0 HG13 ILE A 102 15.856 -12.586 -20.707 1.00 13.40 H new ATOM 0 HG21 ILE A 102 17.040 -15.522 -22.656 1.00 41.15 H new ATOM 0 HG22 ILE A 102 18.763 -15.298 -22.268 1.00 41.15 H new ATOM 0 HG23 ILE A 102 17.634 -15.867 -21.014 1.00 41.15 H new ATOM 0 HD11 ILE A 102 13.995 -13.898 -21.600 1.00 63.13 H new ATOM 0 HD12 ILE A 102 15.101 -13.415 -22.907 1.00 63.13 H new ATOM 0 HD13 ILE A 102 15.137 -15.080 -22.281 1.00 63.13 H new ATOM 1552 N THR A 103 18.712 -10.937 -20.707 1.00 11.35 N ATOM 1553 CA THR A 103 18.485 -9.524 -20.427 1.00 65.41 C ATOM 1554 C THR A 103 18.436 -8.710 -21.715 1.00 21.22 C ATOM 1555 O THR A 103 19.061 -9.070 -22.713 1.00 40.11 O ATOM 1556 CB THR A 103 19.583 -8.950 -19.512 1.00 11.15 C ATOM 1557 OG1 THR A 103 20.848 -9.540 -19.833 1.00 55.41 O ATOM 1558 CG2 THR A 103 19.256 -9.206 -18.048 1.00 53.01 C ATOM 0 H THR A 103 19.342 -11.116 -21.489 1.00 11.35 H new ATOM 0 HA THR A 103 17.524 -9.452 -19.918 1.00 65.41 H new ATOM 0 HB THR A 103 19.633 -7.873 -19.675 1.00 11.15 H new ATOM 0 HG1 THR A 103 21.540 -9.168 -19.248 1.00 55.41 H new ATOM 0 HG21 THR A 103 20.046 -8.792 -17.421 1.00 53.01 H new ATOM 0 HG22 THR A 103 18.307 -8.730 -17.799 1.00 53.01 H new ATOM 0 HG23 THR A 103 19.180 -10.279 -17.874 1.00 53.01 H new ATOM 1566 N HIS A 104 17.690 -7.610 -21.686 1.00 31.40 N ATOM 1567 CA HIS A 104 17.561 -6.744 -22.852 1.00 15.41 C ATOM 1568 C HIS A 104 17.398 -5.286 -22.430 1.00 73.40 C ATOM 1569 O HIS A 104 16.485 -4.946 -21.676 1.00 43.24 O ATOM 1570 CB HIS A 104 16.368 -7.176 -23.705 1.00 51.13 C ATOM 1571 CG HIS A 104 16.197 -6.363 -24.952 1.00 22.14 C ATOM 1572 ND1 HIS A 104 16.960 -6.553 -26.085 1.00 31.44 N ATOM 1573 CD2 HIS A 104 15.343 -5.353 -25.240 1.00 23.20 C ATOM 1574 CE1 HIS A 104 16.584 -5.695 -27.015 1.00 53.42 C ATOM 1575 NE2 HIS A 104 15.604 -4.955 -26.528 1.00 52.01 N ATOM 0 H HIS A 104 17.166 -7.298 -20.868 1.00 31.40 H new ATOM 0 HA HIS A 104 18.472 -6.834 -23.443 1.00 15.41 H new ATOM 0 HB2 HIS A 104 16.488 -8.224 -23.978 1.00 51.13 H new ATOM 0 HB3 HIS A 104 15.459 -7.104 -23.107 1.00 51.13 H new ATOM 0 HD2 HIS A 104 14.596 -4.938 -24.580 1.00 23.20 H new ATOM 0 HE1 HIS A 104 17.006 -5.612 -28.006 1.00 53.42 H new ATOM 0 HE2 HIS A 104 15.120 -4.209 -27.028 1.00 52.01 H new ATOM 1583 N HIS A 105 18.289 -4.430 -22.920 1.00 74.23 N ATOM 1584 CA HIS A 105 18.243 -3.009 -22.594 1.00 24.31 C ATOM 1585 C HIS A 105 17.010 -2.351 -23.204 1.00 52.31 C ATOM 1586 O HIS A 105 16.775 -2.447 -24.409 1.00 32.34 O ATOM 1587 CB HIS A 105 19.508 -2.310 -23.092 1.00 4.41 C ATOM 1588 CG HIS A 105 19.700 -2.402 -24.574 1.00 61.54 C ATOM 1589 ND1 HIS A 105 19.409 -1.367 -25.437 1.00 44.12 N ATOM 1590 CD2 HIS A 105 20.158 -3.416 -25.346 1.00 42.21 C ATOM 1591 CE1 HIS A 105 19.679 -1.740 -26.676 1.00 14.24 C ATOM 1592 NE2 HIS A 105 20.135 -2.979 -26.648 1.00 31.03 N ATOM 0 H HIS A 105 19.051 -4.695 -23.544 1.00 74.23 H new ATOM 0 HA HIS A 105 18.185 -2.911 -21.510 1.00 24.31 H new ATOM 0 HB2 HIS A 105 19.470 -1.260 -22.804 1.00 4.41 H new ATOM 0 HB3 HIS A 105 20.374 -2.746 -22.594 1.00 4.41 H new ATOM 0 HD2 HIS A 105 20.481 -4.387 -25.002 1.00 42.21 H new ATOM 0 HE1 HIS A 105 19.549 -1.134 -27.561 1.00 14.24 H new ATOM 0 HE2 HIS A 105 20.423 -3.523 -27.461 1.00 31.03 H new ATOM 1600 N TRP A 106 16.226 -1.683 -22.365 1.00 61.03 N ATOM 1601 CA TRP A 106 15.016 -1.010 -22.822 1.00 54.14 C ATOM 1602 C TRP A 106 14.991 0.442 -22.357 1.00 63.12 C ATOM 1603 O TRP A 106 15.026 0.720 -21.158 1.00 44.42 O ATOM 1604 CB TRP A 106 13.775 -1.743 -22.310 1.00 60.41 C ATOM 1605 CG TRP A 106 12.488 -1.111 -22.746 1.00 43.34 C ATOM 1606 CD1 TRP A 106 11.470 -0.686 -21.942 1.00 13.10 C ATOM 1607 CD2 TRP A 106 12.082 -0.834 -24.091 1.00 45.42 C ATOM 1608 NE1 TRP A 106 10.455 -0.161 -22.706 1.00 20.33 N ATOM 1609 CE2 TRP A 106 10.807 -0.239 -24.027 1.00 72.43 C ATOM 1610 CE3 TRP A 106 12.673 -1.027 -25.343 1.00 21.43 C ATOM 1611 CZ2 TRP A 106 10.114 0.160 -25.167 1.00 61.21 C ATOM 1612 CZ3 TRP A 106 11.984 -0.631 -26.473 1.00 41.10 C ATOM 1613 CH2 TRP A 106 10.716 -0.042 -26.379 1.00 60.13 C ATOM 0 H TRP A 106 16.407 -1.593 -21.365 1.00 61.03 H new ATOM 0 HA TRP A 106 15.014 -1.023 -23.912 1.00 54.14 H new ATOM 0 HB2 TRP A 106 13.801 -2.775 -22.660 1.00 60.41 H new ATOM 0 HB3 TRP A 106 13.805 -1.775 -21.221 1.00 60.41 H new ATOM 0 HD1 TRP A 106 11.463 -0.752 -20.864 1.00 13.10 H new ATOM 0 HE1 TRP A 106 9.581 0.224 -22.347 1.00 20.33 H new ATOM 0 HE3 TRP A 106 13.651 -1.478 -25.425 1.00 21.43 H new ATOM 0 HZ2 TRP A 106 9.136 0.613 -25.097 1.00 61.21 H new ATOM 0 HZ3 TRP A 106 12.430 -0.778 -27.445 1.00 41.10 H new ATOM 0 HH2 TRP A 106 10.204 0.258 -27.281 1.00 60.13 H new ATOM 1624 N HIS A 107 14.931 1.364 -23.313 1.00 12.24 N ATOM 1625 CA HIS A 107 14.900 2.788 -22.999 1.00 44.45 C ATOM 1626 C HIS A 107 14.025 3.545 -23.994 1.00 32.20 C ATOM 1627 O HIS A 107 13.960 3.193 -25.172 1.00 24.31 O ATOM 1628 CB HIS A 107 16.317 3.364 -23.008 1.00 53.41 C ATOM 1629 CG HIS A 107 16.977 3.310 -24.351 1.00 62.13 C ATOM 1630 ND1 HIS A 107 17.417 4.433 -25.020 1.00 33.11 N ATOM 1631 CD2 HIS A 107 17.274 2.258 -25.150 1.00 11.11 C ATOM 1632 CE1 HIS A 107 17.953 4.074 -26.173 1.00 5.55 C ATOM 1633 NE2 HIS A 107 17.880 2.760 -26.276 1.00 32.35 N ATOM 0 H HIS A 107 14.903 1.151 -24.310 1.00 12.24 H new ATOM 0 HA HIS A 107 14.473 2.906 -22.003 1.00 44.45 H new ATOM 0 HB2 HIS A 107 16.281 4.400 -22.671 1.00 53.41 H new ATOM 0 HB3 HIS A 107 16.928 2.816 -22.290 1.00 53.41 H new ATOM 0 HD2 HIS A 107 17.072 1.218 -24.941 1.00 11.11 H new ATOM 0 HE1 HIS A 107 18.379 4.742 -26.907 1.00 5.55 H new ATOM 0 HE2 HIS A 107 18.219 2.207 -27.064 1.00 32.35 H new ATOM 1641 N ARG A 108 13.352 4.584 -23.511 1.00 41.55 N ATOM 1642 CA ARG A 108 12.480 5.390 -24.358 1.00 63.11 C ATOM 1643 C ARG A 108 13.048 6.794 -24.544 1.00 23.15 C ATOM 1644 O ARG A 108 13.032 7.608 -23.620 1.00 61.12 O ATOM 1645 CB ARG A 108 11.078 5.471 -23.752 1.00 3.45 C ATOM 1646 CG ARG A 108 10.111 6.317 -24.564 1.00 43.01 C ATOM 1647 CD ARG A 108 8.674 6.106 -24.115 1.00 72.12 C ATOM 1648 NE ARG A 108 7.805 7.206 -24.525 1.00 3.21 N ATOM 1649 CZ ARG A 108 7.423 7.413 -25.780 1.00 65.23 C ATOM 1650 NH1 ARG A 108 7.831 6.598 -26.743 1.00 61.24 N ATOM 1651 NH2 ARG A 108 6.632 8.436 -26.074 1.00 53.24 N ATOM 0 H ARG A 108 13.394 4.888 -22.538 1.00 41.55 H new ATOM 0 HA ARG A 108 12.419 4.910 -25.335 1.00 63.11 H new ATOM 0 HB2 ARG A 108 10.674 4.463 -23.657 1.00 3.45 H new ATOM 0 HB3 ARG A 108 11.150 5.882 -22.745 1.00 3.45 H new ATOM 0 HG2 ARG A 108 10.374 7.370 -24.463 1.00 43.01 H new ATOM 0 HG3 ARG A 108 10.204 6.065 -25.620 1.00 43.01 H new ATOM 0 HD2 ARG A 108 8.297 5.172 -24.532 1.00 72.12 H new ATOM 0 HD3 ARG A 108 8.644 6.006 -23.030 1.00 72.12 H new ATOM 0 HE ARG A 108 7.473 7.851 -23.808 1.00 3.21 H new ATOM 0 HH11 ARG A 108 8.439 5.810 -26.521 1.00 61.24 H new ATOM 0 HH12 ARG A 108 7.536 6.759 -27.706 1.00 61.24 H new ATOM 0 HH21 ARG A 108 6.316 9.065 -25.336 1.00 53.24 H new ATOM 0 HH22 ARG A 108 6.339 8.594 -27.038 1.00 53.24 H new