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 Set 1.1: A 33 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 81 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.0459 F(o=-1.6!,f=-0.6) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.555 K(o=-0.6,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 21 THR OG1 : rot 142:sc= 1.14 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0427) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.522) USER MOD Single : A 50 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.014) USER MOD Single : A 51 MET CE :methyl 168:sc= -2.67! (180deg=-2.81!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 THR OG1 : rot 159:sc= -1.46! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 66 THR OG1 : rot 130:sc= -0.453 USER MOD Single : A 68 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.27) USER MOD Single : A 72 THR OG1 : rot 69:sc= 0.0144 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 25:sc= 0.357 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc=-0.00705 (180deg=-0.0903) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 37:sc= 0.967 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 105 HIS : no HD1:sc=0.000335 X(o=0.00033,f=-0.23) USER MOD Single : A 107 HIS : no HD1:sc=-0.00161 X(o=-0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 15.497 -25.110 -22.223 1.00 51.32 N ATOM 257 CA ALA A 17 16.100 -23.796 -22.037 1.00 1.10 C ATOM 258 C ALA A 17 15.191 -22.694 -22.571 1.00 45.11 C ATOM 259 O ALA A 17 14.343 -22.937 -23.430 1.00 3.41 O ATOM 260 CB ALA A 17 17.460 -23.738 -22.718 1.00 34.11 C ATOM 0 HA ALA A 17 16.234 -23.633 -20.968 1.00 1.10 H new ATOM 0 HB1 ALA A 17 17.899 -22.751 -22.571 1.00 34.11 H new ATOM 0 HB2 ALA A 17 18.116 -24.494 -22.287 1.00 34.11 H new ATOM 0 HB3 ALA A 17 17.341 -23.927 -23.785 1.00 34.11 H new ATOM 266 N PHE A 18 15.374 -21.482 -22.057 1.00 73.10 N ATOM 267 CA PHE A 18 14.568 -20.343 -22.481 1.00 1.23 C ATOM 268 C PHE A 18 15.455 -19.202 -22.972 1.00 31.24 C ATOM 269 O PHE A 18 16.579 -19.026 -22.500 1.00 32.11 O ATOM 270 CB PHE A 18 13.686 -19.858 -21.328 1.00 71.23 C ATOM 271 CG PHE A 18 12.830 -20.939 -20.733 1.00 74.33 C ATOM 272 CD1 PHE A 18 13.294 -21.707 -19.677 1.00 51.33 C ATOM 273 CD2 PHE A 18 11.561 -21.189 -21.231 1.00 14.44 C ATOM 274 CE1 PHE A 18 12.508 -22.702 -19.127 1.00 63.11 C ATOM 275 CE2 PHE A 18 10.770 -22.182 -20.684 1.00 64.23 C ATOM 276 CZ PHE A 18 11.245 -22.941 -19.632 1.00 43.22 C ATOM 0 H PHE A 18 16.073 -21.263 -21.347 1.00 73.10 H new ATOM 0 HA PHE A 18 13.932 -20.666 -23.305 1.00 1.23 H new ATOM 0 HB2 PHE A 18 14.320 -19.437 -20.548 1.00 71.23 H new ATOM 0 HB3 PHE A 18 13.044 -19.053 -21.686 1.00 71.23 H new ATOM 0 HD1 PHE A 18 14.282 -21.526 -19.279 1.00 51.33 H new ATOM 0 HD2 PHE A 18 11.186 -20.601 -22.056 1.00 14.44 H new ATOM 0 HE1 PHE A 18 12.881 -23.292 -18.303 1.00 63.11 H new ATOM 0 HE2 PHE A 18 9.781 -22.364 -21.079 1.00 64.23 H new ATOM 0 HZ PHE A 18 10.630 -23.720 -19.205 1.00 43.22 H new ATOM 286 N THR A 19 14.942 -18.429 -23.924 1.00 34.04 N ATOM 287 CA THR A 19 15.685 -17.306 -24.480 1.00 64.00 C ATOM 288 C THR A 19 14.748 -16.290 -25.123 1.00 62.31 C ATOM 289 O THR A 19 13.715 -16.653 -25.686 1.00 32.25 O ATOM 290 CB THR A 19 16.712 -17.776 -25.528 1.00 74.12 C ATOM 291 OG1 THR A 19 17.289 -19.022 -25.124 1.00 24.34 O ATOM 292 CG2 THR A 19 17.809 -16.739 -25.714 1.00 21.10 C ATOM 0 H THR A 19 14.014 -18.561 -24.326 1.00 34.04 H new ATOM 0 HA THR A 19 16.212 -16.835 -23.651 1.00 64.00 H new ATOM 0 HB THR A 19 16.194 -17.908 -26.478 1.00 74.12 H new ATOM 0 HG1 THR A 19 17.939 -19.315 -25.796 1.00 24.34 H new ATOM 0 HG21 THR A 19 18.522 -17.093 -26.458 1.00 21.10 H new ATOM 0 HG22 THR A 19 17.369 -15.800 -26.051 1.00 21.10 H new ATOM 0 HG23 THR A 19 18.323 -16.579 -24.766 1.00 21.10 H new ATOM 300 N PHE A 20 15.115 -15.016 -25.037 1.00 64.01 N ATOM 301 CA PHE A 20 14.307 -13.947 -25.611 1.00 54.11 C ATOM 302 C PHE A 20 14.537 -13.838 -27.116 1.00 24.15 C ATOM 303 O PHE A 20 15.667 -13.953 -27.593 1.00 31.14 O ATOM 304 CB PHE A 20 14.633 -12.613 -24.936 1.00 32.21 C ATOM 305 CG PHE A 20 14.092 -12.500 -23.539 1.00 60.32 C ATOM 306 CD1 PHE A 20 12.727 -12.542 -23.305 1.00 61.31 C ATOM 307 CD2 PHE A 20 14.949 -12.352 -22.460 1.00 52.44 C ATOM 308 CE1 PHE A 20 12.226 -12.439 -22.021 1.00 21.10 C ATOM 309 CE2 PHE A 20 14.454 -12.248 -21.174 1.00 73.32 C ATOM 310 CZ PHE A 20 13.091 -12.291 -20.954 1.00 53.23 C ATOM 0 H PHE A 20 15.967 -14.699 -24.575 1.00 64.01 H new ATOM 0 HA PHE A 20 13.258 -14.187 -25.438 1.00 54.11 H new ATOM 0 HB2 PHE A 20 15.715 -12.483 -24.910 1.00 32.21 H new ATOM 0 HB3 PHE A 20 14.229 -11.801 -25.540 1.00 32.21 H new ATOM 0 HD1 PHE A 20 12.046 -12.657 -24.136 1.00 61.31 H new ATOM 0 HD2 PHE A 20 16.016 -12.318 -22.626 1.00 52.44 H new ATOM 0 HE1 PHE A 20 11.160 -12.474 -21.852 1.00 21.10 H new ATOM 0 HE2 PHE A 20 15.132 -12.133 -20.342 1.00 73.32 H new ATOM 0 HZ PHE A 20 12.702 -12.209 -19.950 1.00 53.23 H new ATOM 320 N THR A 21 13.458 -13.616 -27.859 1.00 60.13 N ATOM 321 CA THR A 21 13.541 -13.493 -29.309 1.00 60.42 C ATOM 322 C THR A 21 13.053 -12.126 -29.774 1.00 62.00 C ATOM 323 O THR A 21 13.676 -11.489 -30.624 1.00 75.12 O ATOM 324 CB THR A 21 12.716 -14.587 -30.014 1.00 0.13 C ATOM 325 OG1 THR A 21 11.335 -14.466 -29.655 1.00 60.20 O ATOM 326 CG2 THR A 21 13.223 -15.972 -29.641 1.00 11.24 C ATOM 0 H THR A 21 12.516 -13.518 -27.481 1.00 60.13 H new ATOM 0 HA THR A 21 14.591 -13.611 -29.576 1.00 60.42 H new ATOM 0 HB THR A 21 12.824 -14.456 -31.091 1.00 0.13 H new ATOM 0 HG1 THR A 21 10.776 -14.665 -30.435 1.00 60.20 H new ATOM 0 HG21 THR A 21 12.625 -16.728 -30.151 1.00 11.24 H new ATOM 0 HG22 THR A 21 14.266 -16.071 -29.942 1.00 11.24 H new ATOM 0 HG23 THR A 21 13.141 -16.111 -28.563 1.00 11.24 H new ATOM 334 N LYS A 22 11.936 -11.679 -29.211 1.00 11.21 N ATOM 335 CA LYS A 22 11.364 -10.385 -29.566 1.00 24.23 C ATOM 336 C LYS A 22 11.490 -9.399 -28.409 1.00 20.13 C ATOM 337 O LYS A 22 10.779 -9.507 -27.409 1.00 71.12 O ATOM 338 CB LYS A 22 9.893 -10.544 -29.957 1.00 24.34 C ATOM 339 CG LYS A 22 9.674 -11.485 -31.128 1.00 71.54 C ATOM 340 CD LYS A 22 10.201 -10.894 -32.425 1.00 54.11 C ATOM 341 CE LYS A 22 10.128 -11.898 -33.566 1.00 2.45 C ATOM 342 NZ LYS A 22 8.723 -12.265 -33.892 1.00 73.44 N ATOM 0 H LYS A 22 11.408 -12.194 -28.506 1.00 11.21 H new ATOM 0 HA LYS A 22 11.919 -9.992 -30.418 1.00 24.23 H new ATOM 0 HB2 LYS A 22 9.335 -10.912 -29.096 1.00 24.34 H new ATOM 0 HB3 LYS A 22 9.484 -9.565 -30.207 1.00 24.34 H new ATOM 0 HG2 LYS A 22 10.172 -12.434 -30.931 1.00 71.54 H new ATOM 0 HG3 LYS A 22 8.610 -11.698 -31.230 1.00 71.54 H new ATOM 0 HD2 LYS A 22 9.623 -10.006 -32.683 1.00 54.11 H new ATOM 0 HD3 LYS A 22 11.234 -10.573 -32.287 1.00 54.11 H new ATOM 0 HE2 LYS A 22 10.608 -11.479 -34.450 1.00 2.45 H new ATOM 0 HE3 LYS A 22 10.685 -12.796 -33.296 1.00 2.45 H new ATOM 0 HZ1 LYS A 22 8.711 -12.884 -34.728 1.00 73.44 H new ATOM 0 HZ2 LYS A 22 8.298 -12.765 -33.085 1.00 73.44 H new ATOM 0 HZ3 LYS A 22 8.176 -11.403 -34.092 1.00 73.44 H new ATOM 356 N ILE A 23 12.397 -8.439 -28.552 1.00 11.42 N ATOM 357 CA ILE A 23 12.612 -7.432 -27.520 1.00 23.24 C ATOM 358 C ILE A 23 11.313 -6.715 -27.171 1.00 55.25 C ATOM 359 O ILE A 23 10.558 -6.287 -28.045 1.00 14.42 O ATOM 360 CB ILE A 23 13.659 -6.391 -27.958 1.00 52.13 C ATOM 361 CG1 ILE A 23 14.971 -7.082 -28.334 1.00 3.31 C ATOM 362 CG2 ILE A 23 13.888 -5.372 -26.852 1.00 51.21 C ATOM 363 CD1 ILE A 23 16.044 -6.125 -28.805 1.00 25.25 C ATOM 0 H ILE A 23 12.995 -8.337 -29.372 1.00 11.42 H new ATOM 0 HA ILE A 23 12.981 -7.958 -26.639 1.00 23.24 H new ATOM 0 HB ILE A 23 13.283 -5.866 -28.836 1.00 52.13 H new ATOM 0 HG12 ILE A 23 15.342 -7.635 -27.471 1.00 3.31 H new ATOM 0 HG13 ILE A 23 14.776 -7.812 -29.120 1.00 3.31 H new ATOM 0 HG21 ILE A 23 14.631 -4.643 -27.177 1.00 51.21 H new ATOM 0 HG22 ILE A 23 12.952 -4.861 -26.628 1.00 51.21 H new ATOM 0 HG23 ILE A 23 14.246 -5.881 -25.957 1.00 51.21 H new ATOM 0 HD11 ILE A 23 16.946 -6.684 -29.054 1.00 25.25 H new ATOM 0 HD12 ILE A 23 15.693 -5.590 -29.687 1.00 25.25 H new ATOM 0 HD13 ILE A 23 16.267 -5.410 -28.013 1.00 25.25 H new ATOM 375 N PRO A 24 11.044 -6.578 -25.864 1.00 41.45 N ATOM 376 CA PRO A 24 9.837 -5.909 -25.370 1.00 73.22 C ATOM 377 C PRO A 24 9.862 -4.406 -25.623 1.00 12.31 C ATOM 378 O PRO A 24 10.834 -3.727 -25.292 1.00 71.44 O ATOM 379 CB PRO A 24 9.861 -6.199 -23.867 1.00 73.34 C ATOM 380 CG PRO A 24 11.298 -6.424 -23.548 1.00 4.42 C ATOM 381 CD PRO A 24 11.899 -7.064 -24.769 1.00 31.15 C ATOM 0 HA PRO A 24 8.938 -6.266 -25.873 1.00 73.22 H new ATOM 0 HB2 PRO A 24 9.455 -5.364 -23.296 1.00 73.34 H new ATOM 0 HB3 PRO A 24 9.259 -7.075 -23.623 1.00 73.34 H new ATOM 0 HG2 PRO A 24 11.798 -5.484 -23.315 1.00 4.42 H new ATOM 0 HG3 PRO A 24 11.408 -7.068 -22.676 1.00 4.42 H new ATOM 0 HD2 PRO A 24 12.938 -6.767 -24.908 1.00 31.15 H new ATOM 0 HD3 PRO A 24 11.885 -8.152 -24.701 1.00 31.15 H new ATOM 389 N ALA A 25 8.786 -3.891 -26.210 1.00 65.04 N ATOM 390 CA ALA A 25 8.685 -2.467 -26.505 1.00 70.24 C ATOM 391 C ALA A 25 7.242 -1.986 -26.398 1.00 50.14 C ATOM 392 O ALA A 25 6.337 -2.573 -26.991 1.00 44.20 O ATOM 393 CB ALA A 25 9.240 -2.175 -27.892 1.00 15.32 C ATOM 0 H ALA A 25 7.972 -4.439 -26.490 1.00 65.04 H new ATOM 0 HA ALA A 25 9.277 -1.925 -25.768 1.00 70.24 H new ATOM 0 HB1 ALA A 25 9.158 -1.108 -28.099 1.00 15.32 H new ATOM 0 HB2 ALA A 25 10.287 -2.474 -27.935 1.00 15.32 H new ATOM 0 HB3 ALA A 25 8.672 -2.734 -28.636 1.00 15.32 H new ATOM 399 N GLU A 26 7.035 -0.915 -25.638 1.00 70.03 N ATOM 400 CA GLU A 26 5.701 -0.357 -25.453 1.00 35.20 C ATOM 401 C GLU A 26 5.266 0.434 -26.683 1.00 74.45 C ATOM 402 O GLU A 26 6.097 0.960 -27.424 1.00 61.21 O ATOM 403 CB GLU A 26 5.667 0.544 -24.216 1.00 64.54 C ATOM 404 CG GLU A 26 6.321 1.898 -24.432 1.00 62.03 C ATOM 405 CD GLU A 26 7.275 2.270 -23.314 1.00 12.33 C ATOM 406 OE1 GLU A 26 7.084 1.775 -22.183 1.00 11.51 O ATOM 407 OE2 GLU A 26 8.211 3.056 -23.568 1.00 42.14 O ATOM 0 H GLU A 26 7.774 -0.417 -25.141 1.00 70.03 H new ATOM 0 HA GLU A 26 5.006 -1.185 -25.310 1.00 35.20 H new ATOM 0 HB2 GLU A 26 4.630 0.694 -23.915 1.00 64.54 H new ATOM 0 HB3 GLU A 26 6.168 0.035 -23.392 1.00 64.54 H new ATOM 0 HG2 GLU A 26 6.862 1.889 -25.378 1.00 62.03 H new ATOM 0 HG3 GLU A 26 5.548 2.662 -24.514 1.00 62.03 H new ATOM 414 N THR A 27 3.956 0.513 -26.896 1.00 73.14 N ATOM 415 CA THR A 27 3.409 1.237 -28.037 1.00 61.42 C ATOM 416 C THR A 27 2.531 2.397 -27.583 1.00 4.12 C ATOM 417 O THR A 27 2.395 2.654 -26.386 1.00 1.51 O ATOM 418 CB THR A 27 2.583 0.309 -28.948 1.00 31.33 C ATOM 419 OG1 THR A 27 1.550 -0.329 -28.189 1.00 32.43 O ATOM 420 CG2 THR A 27 3.469 -0.745 -29.593 1.00 65.54 C ATOM 0 H THR A 27 3.254 0.084 -26.293 1.00 73.14 H new ATOM 0 HA THR A 27 4.257 1.626 -28.600 1.00 61.42 H new ATOM 0 HB THR A 27 2.134 0.915 -29.735 1.00 31.33 H new ATOM 0 HG1 THR A 27 1.028 -0.916 -28.775 1.00 32.43 H new ATOM 0 HG21 THR A 27 2.863 -1.388 -30.231 1.00 65.54 H new ATOM 0 HG22 THR A 27 4.237 -0.257 -30.193 1.00 65.54 H new ATOM 0 HG23 THR A 27 3.943 -1.346 -28.817 1.00 65.54 H new ATOM 428 N LEU A 28 1.937 3.095 -28.544 1.00 70.24 N ATOM 429 CA LEU A 28 1.071 4.230 -28.243 1.00 23.42 C ATOM 430 C LEU A 28 -0.029 3.830 -27.265 1.00 11.32 C ATOM 431 O LEU A 28 -0.464 4.635 -26.440 1.00 42.35 O ATOM 432 CB LEU A 28 0.452 4.779 -29.529 1.00 14.53 C ATOM 433 CG LEU A 28 1.427 5.389 -30.536 1.00 52.04 C ATOM 434 CD1 LEU A 28 0.703 5.763 -31.821 1.00 21.43 C ATOM 435 CD2 LEU A 28 2.120 6.605 -29.939 1.00 52.24 C ATOM 0 H LEU A 28 2.039 2.895 -29.539 1.00 70.24 H new ATOM 0 HA LEU A 28 1.679 5.007 -27.780 1.00 23.42 H new ATOM 0 HB2 LEU A 28 -0.090 3.971 -30.021 1.00 14.53 H new ATOM 0 HB3 LEU A 28 -0.283 5.538 -29.260 1.00 14.53 H new ATOM 0 HG LEU A 28 2.186 4.644 -30.774 1.00 52.04 H new ATOM 0 HD11 LEU A 28 1.413 6.196 -32.526 1.00 21.43 H new ATOM 0 HD12 LEU A 28 0.255 4.871 -32.259 1.00 21.43 H new ATOM 0 HD13 LEU A 28 -0.078 6.491 -31.600 1.00 21.43 H new ATOM 0 HD21 LEU A 28 2.810 7.026 -30.670 1.00 52.24 H new ATOM 0 HD22 LEU A 28 1.374 7.354 -29.671 1.00 52.24 H new ATOM 0 HD23 LEU A 28 2.673 6.308 -29.048 1.00 52.24 H new ATOM 447 N HIS A 29 -0.474 2.581 -27.361 1.00 14.54 N ATOM 448 CA HIS A 29 -1.522 2.074 -26.482 1.00 22.24 C ATOM 449 C HIS A 29 -1.009 1.931 -25.052 1.00 13.13 C ATOM 450 O HIS A 29 -1.773 2.042 -24.094 1.00 33.01 O ATOM 451 CB HIS A 29 -2.034 0.725 -26.989 1.00 43.42 C ATOM 452 CG HIS A 29 -3.338 0.312 -26.380 1.00 40.01 C ATOM 453 ND1 HIS A 29 -4.526 0.302 -27.080 1.00 40.30 N ATOM 454 CD2 HIS A 29 -3.637 -0.109 -25.129 1.00 23.50 C ATOM 455 CE1 HIS A 29 -5.499 -0.106 -26.285 1.00 53.54 C ATOM 456 NE2 HIS A 29 -4.986 -0.362 -25.096 1.00 30.32 N ATOM 0 H HIS A 29 -0.126 1.902 -28.038 1.00 14.54 H new ATOM 0 HA HIS A 29 -2.343 2.791 -26.485 1.00 22.24 H new ATOM 0 HB2 HIS A 29 -2.147 0.772 -28.072 1.00 43.42 H new ATOM 0 HB3 HIS A 29 -1.286 -0.040 -26.780 1.00 43.42 H new ATOM 0 HD2 HIS A 29 -2.943 -0.224 -24.309 1.00 23.50 H new ATOM 0 HE1 HIS A 29 -6.538 -0.212 -26.561 1.00 53.54 H new ATOM 0 HE2 HIS A 29 -5.507 -0.694 -24.284 1.00 30.32 H new ATOM 464 N GLY A 30 0.290 1.684 -24.916 1.00 21.34 N ATOM 465 CA GLY A 30 0.882 1.530 -23.600 1.00 1.35 C ATOM 466 C GLY A 30 0.895 0.088 -23.134 1.00 35.21 C ATOM 467 O GLY A 30 0.420 -0.225 -22.041 1.00 43.41 O ATOM 0 H GLY A 30 0.943 1.588 -25.694 1.00 21.34 H new ATOM 0 HA2 GLY A 30 1.903 1.912 -23.618 1.00 1.35 H new ATOM 0 HA3 GLY A 30 0.328 2.135 -22.883 1.00 1.35 H new ATOM 471 N THR A 31 1.437 -0.796 -23.965 1.00 63.34 N ATOM 472 CA THR A 31 1.506 -2.214 -23.635 1.00 24.11 C ATOM 473 C THR A 31 2.726 -2.869 -24.273 1.00 42.42 C ATOM 474 O THR A 31 3.127 -2.511 -25.381 1.00 11.10 O ATOM 475 CB THR A 31 0.239 -2.960 -24.093 1.00 30.12 C ATOM 476 OG1 THR A 31 0.089 -2.846 -25.512 1.00 41.33 O ATOM 477 CG2 THR A 31 -0.996 -2.404 -23.401 1.00 12.32 C ATOM 0 H THR A 31 1.835 -0.555 -24.873 1.00 63.34 H new ATOM 0 HA THR A 31 1.586 -2.282 -22.550 1.00 24.11 H new ATOM 0 HB THR A 31 0.345 -4.011 -23.823 1.00 30.12 H new ATOM 0 HG1 THR A 31 -0.718 -3.325 -25.795 1.00 41.33 H new ATOM 0 HG21 THR A 31 -1.878 -2.946 -23.740 1.00 12.32 H new ATOM 0 HG22 THR A 31 -0.892 -2.520 -22.322 1.00 12.32 H new ATOM 0 HG23 THR A 31 -1.104 -1.347 -23.644 1.00 12.32 H new ATOM 485 N VAL A 32 3.313 -3.830 -23.568 1.00 22.32 N ATOM 486 CA VAL A 32 4.487 -4.537 -24.067 1.00 0.42 C ATOM 487 C VAL A 32 4.214 -6.030 -24.202 1.00 35.33 C ATOM 488 O VAL A 32 3.371 -6.585 -23.495 1.00 61.54 O ATOM 489 CB VAL A 32 5.702 -4.330 -23.143 1.00 14.34 C ATOM 490 CG1 VAL A 32 5.493 -5.048 -21.818 1.00 44.10 C ATOM 491 CG2 VAL A 32 6.976 -4.807 -23.823 1.00 33.12 C ATOM 0 H VAL A 32 2.995 -4.137 -22.649 1.00 22.32 H new ATOM 0 HA VAL A 32 4.712 -4.122 -25.049 1.00 0.42 H new ATOM 0 HB VAL A 32 5.804 -3.264 -22.939 1.00 14.34 H new ATOM 0 HG11 VAL A 32 6.361 -4.891 -21.178 1.00 44.10 H new ATOM 0 HG12 VAL A 32 4.604 -4.653 -21.327 1.00 44.10 H new ATOM 0 HG13 VAL A 32 5.364 -6.115 -21.999 1.00 44.10 H new ATOM 0 HG21 VAL A 32 7.824 -4.653 -23.156 1.00 33.12 H new ATOM 0 HG22 VAL A 32 6.887 -5.868 -24.059 1.00 33.12 H new ATOM 0 HG23 VAL A 32 7.131 -4.243 -24.743 1.00 33.12 H new ATOM 501 N THR A 33 4.932 -6.678 -25.114 1.00 33.00 N ATOM 502 CA THR A 33 4.767 -8.108 -25.342 1.00 24.11 C ATOM 503 C THR A 33 6.095 -8.844 -25.199 1.00 51.31 C ATOM 504 O THR A 33 7.147 -8.326 -25.575 1.00 13.24 O ATOM 505 CB THR A 33 4.184 -8.391 -26.739 1.00 45.14 C ATOM 506 OG1 THR A 33 5.153 -8.078 -27.747 1.00 21.54 O ATOM 507 CG2 THR A 33 2.921 -7.577 -26.974 1.00 1.53 C ATOM 0 H THR A 33 5.634 -6.235 -25.707 1.00 33.00 H new ATOM 0 HA THR A 33 4.070 -8.470 -24.586 1.00 24.11 H new ATOM 0 HB THR A 33 3.931 -9.450 -26.794 1.00 45.14 H new ATOM 0 HG1 THR A 33 4.742 -7.509 -28.431 1.00 21.54 H new ATOM 0 HG21 THR A 33 2.528 -7.794 -27.967 1.00 1.53 H new ATOM 0 HG22 THR A 33 2.175 -7.838 -26.223 1.00 1.53 H new ATOM 0 HG23 THR A 33 3.154 -6.515 -26.900 1.00 1.53 H new ATOM 515 N VAL A 34 6.039 -10.055 -24.654 1.00 64.04 N ATOM 516 CA VAL A 34 7.238 -10.862 -24.462 1.00 61.40 C ATOM 517 C VAL A 34 7.105 -12.216 -25.151 1.00 4.12 C ATOM 518 O VAL A 34 6.140 -12.945 -24.926 1.00 71.04 O ATOM 519 CB VAL A 34 7.530 -11.086 -22.966 1.00 71.23 C ATOM 520 CG1 VAL A 34 6.328 -11.713 -22.276 1.00 2.44 C ATOM 521 CG2 VAL A 34 8.768 -11.952 -22.789 1.00 41.13 C ATOM 0 H VAL A 34 5.177 -10.499 -24.338 1.00 64.04 H new ATOM 0 HA VAL A 34 8.066 -10.310 -24.908 1.00 61.40 H new ATOM 0 HB VAL A 34 7.722 -10.119 -22.502 1.00 71.23 H new ATOM 0 HG11 VAL A 34 6.552 -11.864 -21.220 1.00 2.44 H new ATOM 0 HG12 VAL A 34 5.467 -11.052 -22.373 1.00 2.44 H new ATOM 0 HG13 VAL A 34 6.102 -12.673 -22.740 1.00 2.44 H new ATOM 0 HG21 VAL A 34 8.960 -12.100 -21.726 1.00 41.13 H new ATOM 0 HG22 VAL A 34 8.607 -12.918 -23.267 1.00 41.13 H new ATOM 0 HG23 VAL A 34 9.625 -11.459 -23.247 1.00 41.13 H new ATOM 531 N GLU A 35 8.083 -12.545 -25.990 1.00 35.21 N ATOM 532 CA GLU A 35 8.074 -13.812 -26.711 1.00 64.43 C ATOM 533 C GLU A 35 9.415 -14.527 -26.571 1.00 24.13 C ATOM 534 O GLU A 35 10.433 -14.069 -27.091 1.00 21.35 O ATOM 535 CB GLU A 35 7.760 -13.581 -28.191 1.00 3.43 C ATOM 536 CG GLU A 35 7.487 -14.860 -28.963 1.00 20.42 C ATOM 537 CD GLU A 35 7.824 -14.736 -30.436 1.00 71.30 C ATOM 538 OE1 GLU A 35 6.887 -14.584 -31.247 1.00 53.44 O ATOM 539 OE2 GLU A 35 9.024 -14.792 -30.778 1.00 14.13 O ATOM 0 H GLU A 35 8.890 -11.953 -26.186 1.00 35.21 H new ATOM 0 HA GLU A 35 7.298 -14.442 -26.276 1.00 64.43 H new ATOM 0 HB2 GLU A 35 6.892 -12.926 -28.272 1.00 3.43 H new ATOM 0 HB3 GLU A 35 8.597 -13.059 -28.654 1.00 3.43 H new ATOM 0 HG2 GLU A 35 8.068 -15.673 -28.528 1.00 20.42 H new ATOM 0 HG3 GLU A 35 6.436 -15.127 -28.856 1.00 20.42 H new ATOM 546 N VAL A 36 9.408 -15.652 -25.863 1.00 62.53 N ATOM 547 CA VAL A 36 10.623 -16.431 -25.653 1.00 72.34 C ATOM 548 C VAL A 36 10.562 -17.757 -26.404 1.00 45.43 C ATOM 549 O VAL A 36 9.544 -18.093 -27.007 1.00 34.43 O ATOM 550 CB VAL A 36 10.858 -16.712 -24.157 1.00 42.23 C ATOM 551 CG1 VAL A 36 11.335 -15.454 -23.447 1.00 31.24 C ATOM 552 CG2 VAL A 36 9.591 -17.251 -23.511 1.00 62.51 C ATOM 0 H VAL A 36 8.575 -16.044 -25.425 1.00 62.53 H new ATOM 0 HA VAL A 36 11.451 -15.836 -26.038 1.00 72.34 H new ATOM 0 HB VAL A 36 11.636 -17.470 -24.065 1.00 42.23 H new ATOM 0 HG11 VAL A 36 11.496 -15.671 -22.391 1.00 31.24 H new ATOM 0 HG12 VAL A 36 12.270 -15.116 -23.895 1.00 31.24 H new ATOM 0 HG13 VAL A 36 10.582 -14.672 -23.546 1.00 31.24 H new ATOM 0 HG21 VAL A 36 9.775 -17.444 -22.454 1.00 62.51 H new ATOM 0 HG22 VAL A 36 8.791 -16.518 -23.612 1.00 62.51 H new ATOM 0 HG23 VAL A 36 9.298 -18.178 -24.003 1.00 62.51 H new ATOM 562 N GLN A 37 11.661 -18.504 -26.363 1.00 75.42 N ATOM 563 CA GLN A 37 11.732 -19.794 -27.040 1.00 33.13 C ATOM 564 C GLN A 37 11.630 -20.940 -26.039 1.00 32.24 C ATOM 565 O GLN A 37 12.178 -20.868 -24.939 1.00 2.43 O ATOM 566 CB GLN A 37 13.036 -19.907 -27.831 1.00 74.24 C ATOM 567 CG GLN A 37 12.907 -20.732 -29.101 1.00 74.55 C ATOM 568 CD GLN A 37 13.808 -20.235 -30.215 1.00 35.23 C ATOM 569 OE1 GLN A 37 13.618 -18.984 -30.616 1.00 52.22 O flip ATOM 570 NE2 GLN A 37 14.665 -20.968 -30.709 1.00 12.43 N flip ATOM 0 H GLN A 37 12.513 -18.239 -25.869 1.00 75.42 H new ATOM 0 HA GLN A 37 10.890 -19.861 -27.729 1.00 33.13 H new ATOM 0 HB2 GLN A 37 13.381 -18.906 -28.091 1.00 74.24 H new ATOM 0 HB3 GLN A 37 13.800 -20.353 -27.194 1.00 74.24 H new ATOM 0 HG2 GLN A 37 13.149 -21.772 -28.880 1.00 74.55 H new ATOM 0 HG3 GLN A 37 11.871 -20.710 -29.440 1.00 74.55 H new ATOM 0 HE21 GLN A 37 14.776 -21.923 -30.370 1.00 12.43 H new ATOM 0 HE22 GLN A 37 15.264 -20.620 -31.458 1.00 12.43 H new ATOM 579 N TYR A 38 10.925 -21.997 -26.427 1.00 14.23 N ATOM 580 CA TYR A 38 10.747 -23.157 -25.562 1.00 2.05 C ATOM 581 C TYR A 38 11.258 -24.425 -26.239 1.00 3.12 C ATOM 582 O TYR A 38 10.700 -24.876 -27.238 1.00 62.15 O ATOM 583 CB TYR A 38 9.272 -23.322 -25.191 1.00 63.41 C ATOM 584 CG TYR A 38 8.605 -22.032 -24.773 1.00 13.15 C ATOM 585 CD1 TYR A 38 8.980 -21.380 -23.604 1.00 45.35 C ATOM 586 CD2 TYR A 38 7.598 -21.465 -25.544 1.00 71.31 C ATOM 587 CE1 TYR A 38 8.373 -20.201 -23.218 1.00 10.25 C ATOM 588 CE2 TYR A 38 6.986 -20.286 -25.166 1.00 31.12 C ATOM 589 CZ TYR A 38 7.377 -19.658 -24.002 1.00 13.23 C ATOM 590 OH TYR A 38 6.768 -18.484 -23.621 1.00 5.33 O ATOM 0 H TYR A 38 10.467 -22.074 -27.335 1.00 14.23 H new ATOM 0 HA TYR A 38 11.327 -22.993 -24.654 1.00 2.05 H new ATOM 0 HB2 TYR A 38 8.736 -23.739 -26.044 1.00 63.41 H new ATOM 0 HB3 TYR A 38 9.189 -24.044 -24.379 1.00 63.41 H new ATOM 0 HD1 TYR A 38 9.759 -21.803 -22.987 1.00 45.35 H new ATOM 0 HD2 TYR A 38 7.288 -21.955 -26.455 1.00 71.31 H new ATOM 0 HE1 TYR A 38 8.677 -19.707 -22.307 1.00 10.25 H new ATOM 0 HE2 TYR A 38 6.206 -19.858 -25.778 1.00 31.12 H new ATOM 0 HH TYR A 38 6.089 -18.238 -24.284 1.00 5.33 H new ATOM 600 N ALA A 39 12.324 -24.995 -25.686 1.00 33.05 N ATOM 601 CA ALA A 39 12.909 -26.212 -26.233 1.00 23.53 C ATOM 602 C ALA A 39 12.405 -27.446 -25.491 1.00 1.31 C ATOM 603 O ALA A 39 13.160 -28.385 -25.243 1.00 51.02 O ATOM 604 CB ALA A 39 14.428 -26.142 -26.171 1.00 51.54 C ATOM 0 H ALA A 39 12.800 -24.633 -24.860 1.00 33.05 H new ATOM 0 HA ALA A 39 12.602 -26.296 -27.275 1.00 23.53 H new ATOM 0 HB1 ALA A 39 14.852 -27.058 -26.583 1.00 51.54 H new ATOM 0 HB2 ALA A 39 14.777 -25.288 -26.751 1.00 51.54 H new ATOM 0 HB3 ALA A 39 14.745 -26.030 -25.134 1.00 51.54 H new ATOM 675 N LYS A 46 4.172 -25.006 -19.488 1.00 61.34 N ATOM 676 CA LYS A 46 3.761 -23.755 -18.864 1.00 14.24 C ATOM 677 C LYS A 46 4.682 -22.612 -19.277 1.00 10.42 C ATOM 678 O LYS A 46 5.881 -22.808 -19.477 1.00 33.34 O ATOM 679 CB LYS A 46 3.760 -23.898 -17.340 1.00 15.21 C ATOM 680 CG LYS A 46 5.092 -24.352 -16.771 1.00 23.43 C ATOM 681 CD LYS A 46 5.169 -24.114 -15.272 1.00 31.41 C ATOM 682 CE LYS A 46 4.575 -25.277 -14.492 1.00 34.11 C ATOM 683 NZ LYS A 46 3.104 -25.128 -14.308 1.00 44.11 N ATOM 0 HA LYS A 46 2.751 -23.524 -19.202 1.00 14.24 H new ATOM 0 HB2 LYS A 46 3.491 -22.940 -16.894 1.00 15.21 H new ATOM 0 HB3 LYS A 46 2.989 -24.612 -17.051 1.00 15.21 H new ATOM 0 HG2 LYS A 46 5.235 -25.412 -16.980 1.00 23.43 H new ATOM 0 HG3 LYS A 46 5.902 -23.817 -17.267 1.00 23.43 H new ATOM 0 HD2 LYS A 46 6.209 -23.971 -14.978 1.00 31.41 H new ATOM 0 HD3 LYS A 46 4.637 -23.196 -15.020 1.00 31.41 H new ATOM 0 HE2 LYS A 46 4.783 -26.210 -15.016 1.00 34.11 H new ATOM 0 HE3 LYS A 46 5.058 -25.345 -13.517 1.00 34.11 H new ATOM 0 HZ1 LYS A 46 2.839 -25.447 -13.354 1.00 44.11 H new ATOM 0 HZ2 LYS A 46 2.839 -24.129 -14.425 1.00 44.11 H new ATOM 0 HZ3 LYS A 46 2.605 -25.704 -15.016 1.00 44.11 H new ATOM 697 N VAL A 47 4.115 -21.416 -19.402 1.00 13.11 N ATOM 698 CA VAL A 47 4.886 -20.240 -19.788 1.00 60.52 C ATOM 699 C VAL A 47 5.062 -19.287 -18.611 1.00 73.34 C ATOM 700 O VAL A 47 4.229 -18.418 -18.355 1.00 53.31 O ATOM 701 CB VAL A 47 4.214 -19.485 -20.950 1.00 61.44 C ATOM 702 CG1 VAL A 47 5.017 -18.247 -21.318 1.00 0.22 C ATOM 703 CG2 VAL A 47 4.049 -20.400 -22.155 1.00 34.15 C ATOM 0 H VAL A 47 3.124 -21.236 -19.241 1.00 13.11 H new ATOM 0 HA VAL A 47 5.864 -20.595 -20.113 1.00 60.52 H new ATOM 0 HB VAL A 47 3.224 -19.164 -20.627 1.00 61.44 H new ATOM 0 HG11 VAL A 47 4.527 -17.727 -22.141 1.00 0.22 H new ATOM 0 HG12 VAL A 47 5.079 -17.584 -20.455 1.00 0.22 H new ATOM 0 HG13 VAL A 47 6.021 -18.542 -21.622 1.00 0.22 H new ATOM 0 HG21 VAL A 47 3.573 -19.850 -22.967 1.00 34.15 H new ATOM 0 HG22 VAL A 47 5.028 -20.753 -22.481 1.00 34.15 H new ATOM 0 HG23 VAL A 47 3.428 -21.253 -21.882 1.00 34.15 H new ATOM 713 N PRO A 48 6.172 -19.452 -17.877 1.00 61.12 N ATOM 714 CA PRO A 48 6.484 -18.615 -16.715 1.00 42.11 C ATOM 715 C PRO A 48 6.839 -17.185 -17.109 1.00 61.22 C ATOM 716 O PRO A 48 7.637 -16.962 -18.019 1.00 72.23 O ATOM 717 CB PRO A 48 7.694 -19.313 -16.090 1.00 22.24 C ATOM 718 CG PRO A 48 8.331 -20.049 -17.217 1.00 64.41 C ATOM 719 CD PRO A 48 7.209 -20.468 -18.125 1.00 74.24 C ATOM 0 HA PRO A 48 5.633 -18.521 -16.040 1.00 42.11 H new ATOM 0 HB2 PRO A 48 8.382 -18.592 -15.649 1.00 22.24 H new ATOM 0 HB3 PRO A 48 7.391 -19.993 -15.294 1.00 22.24 H new ATOM 0 HG2 PRO A 48 9.043 -19.414 -17.744 1.00 64.41 H new ATOM 0 HG3 PRO A 48 8.884 -20.916 -16.854 1.00 64.41 H new ATOM 0 HD2 PRO A 48 7.520 -20.478 -19.170 1.00 74.24 H new ATOM 0 HD3 PRO A 48 6.854 -21.471 -17.888 1.00 74.24 H new ATOM 727 N ALA A 49 6.242 -16.220 -16.418 1.00 33.11 N ATOM 728 CA ALA A 49 6.498 -14.812 -16.694 1.00 1.04 C ATOM 729 C ALA A 49 6.171 -13.947 -15.481 1.00 43.22 C ATOM 730 O ALA A 49 5.124 -14.110 -14.856 1.00 54.53 O ATOM 731 CB ALA A 49 5.694 -14.356 -17.902 1.00 41.11 C ATOM 0 H ALA A 49 5.577 -16.388 -15.663 1.00 33.11 H new ATOM 0 HA ALA A 49 7.559 -14.697 -16.914 1.00 1.04 H new ATOM 0 HB1 ALA A 49 5.895 -13.302 -18.096 1.00 41.11 H new ATOM 0 HB2 ALA A 49 5.979 -14.946 -18.773 1.00 41.11 H new ATOM 0 HB3 ALA A 49 4.631 -14.492 -17.704 1.00 41.11 H new ATOM 737 N GLN A 50 7.075 -13.028 -15.155 1.00 33.45 N ATOM 738 CA GLN A 50 6.882 -12.139 -14.015 1.00 53.13 C ATOM 739 C GLN A 50 8.006 -11.113 -13.929 1.00 45.53 C ATOM 740 O GLN A 50 9.131 -11.373 -14.357 1.00 11.44 O ATOM 741 CB GLN A 50 6.811 -12.946 -12.718 1.00 2.33 C ATOM 742 CG GLN A 50 5.994 -12.273 -11.627 1.00 12.03 C ATOM 743 CD GLN A 50 6.460 -12.647 -10.234 1.00 1.15 C ATOM 744 OE1 GLN A 50 5.684 -13.149 -9.420 1.00 54.03 O ATOM 745 NE2 GLN A 50 7.734 -12.404 -9.950 1.00 45.14 N ATOM 0 H GLN A 50 7.947 -12.880 -15.663 1.00 33.45 H new ATOM 0 HA GLN A 50 5.940 -11.608 -14.156 1.00 53.13 H new ATOM 0 HB2 GLN A 50 6.380 -13.924 -12.932 1.00 2.33 H new ATOM 0 HB3 GLN A 50 7.823 -13.116 -12.350 1.00 2.33 H new ATOM 0 HG2 GLN A 50 6.055 -11.191 -11.748 1.00 12.03 H new ATOM 0 HG3 GLN A 50 4.946 -12.548 -11.741 1.00 12.03 H new ATOM 0 HE21 GLN A 50 8.343 -11.987 -10.654 1.00 45.14 H new ATOM 0 HE22 GLN A 50 8.104 -12.635 -9.028 1.00 45.14 H new ATOM 754 N MET A 51 7.695 -9.946 -13.375 1.00 0.35 N ATOM 755 CA MET A 51 8.680 -8.880 -13.234 1.00 1.32 C ATOM 756 C MET A 51 9.215 -8.818 -11.806 1.00 75.25 C ATOM 757 O MET A 51 8.636 -9.403 -10.891 1.00 54.04 O ATOM 758 CB MET A 51 8.064 -7.533 -13.619 1.00 24.12 C ATOM 759 CG MET A 51 7.257 -7.580 -14.906 1.00 13.24 C ATOM 760 SD MET A 51 8.236 -8.115 -16.321 1.00 63.45 S ATOM 761 CE MET A 51 7.117 -9.289 -17.083 1.00 5.30 C ATOM 0 H MET A 51 6.769 -9.714 -13.016 1.00 0.35 H new ATOM 0 HA MET A 51 9.511 -9.097 -13.905 1.00 1.32 H new ATOM 0 HB2 MET A 51 7.420 -7.192 -12.808 1.00 24.12 H new ATOM 0 HB3 MET A 51 8.860 -6.796 -13.725 1.00 24.12 H new ATOM 0 HG2 MET A 51 6.413 -8.257 -14.776 1.00 13.24 H new ATOM 0 HG3 MET A 51 6.844 -6.591 -15.108 1.00 13.24 H new ATOM 0 HE1 MET A 51 7.482 -9.547 -18.077 1.00 5.30 H new ATOM 0 HE2 MET A 51 7.062 -10.189 -16.471 1.00 5.30 H new ATOM 0 HE3 MET A 51 6.125 -8.845 -17.165 1.00 5.30 H new ATOM 771 N ALA A 52 10.322 -8.107 -11.624 1.00 42.21 N ATOM 772 CA ALA A 52 10.933 -7.969 -10.308 1.00 45.22 C ATOM 773 C ALA A 52 12.067 -6.949 -10.334 1.00 22.33 C ATOM 774 O ALA A 52 13.142 -7.214 -10.873 1.00 32.11 O ATOM 775 CB ALA A 52 11.444 -9.316 -9.819 1.00 73.33 C ATOM 0 H ALA A 52 10.814 -7.617 -12.371 1.00 42.21 H new ATOM 0 HA ALA A 52 10.171 -7.609 -9.617 1.00 45.22 H new ATOM 0 HB1 ALA A 52 11.898 -9.198 -8.835 1.00 73.33 H new ATOM 0 HB2 ALA A 52 10.613 -10.018 -9.753 1.00 73.33 H new ATOM 0 HB3 ALA A 52 12.188 -9.698 -10.518 1.00 73.33 H new ATOM 781 N VAL A 53 11.820 -5.782 -9.748 1.00 5.13 N ATOM 782 CA VAL A 53 12.821 -4.723 -9.702 1.00 43.44 C ATOM 783 C VAL A 53 14.090 -5.195 -9.001 1.00 12.31 C ATOM 784 O VAL A 53 15.198 -4.816 -9.379 1.00 4.50 O ATOM 785 CB VAL A 53 12.283 -3.473 -8.981 1.00 4.25 C ATOM 786 CG1 VAL A 53 11.144 -2.849 -9.771 1.00 15.41 C ATOM 787 CG2 VAL A 53 11.835 -3.824 -7.570 1.00 23.31 C ATOM 0 H VAL A 53 10.935 -5.546 -9.299 1.00 5.13 H new ATOM 0 HA VAL A 53 13.056 -4.465 -10.735 1.00 43.44 H new ATOM 0 HB VAL A 53 13.088 -2.741 -8.911 1.00 4.25 H new ATOM 0 HG11 VAL A 53 10.777 -1.967 -9.246 1.00 15.41 H new ATOM 0 HG12 VAL A 53 11.502 -2.560 -10.759 1.00 15.41 H new ATOM 0 HG13 VAL A 53 10.335 -3.572 -9.876 1.00 15.41 H new ATOM 0 HG21 VAL A 53 11.458 -2.929 -7.075 1.00 23.31 H new ATOM 0 HG22 VAL A 53 11.045 -4.574 -7.615 1.00 23.31 H new ATOM 0 HG23 VAL A 53 12.681 -4.220 -7.008 1.00 23.31 H new ATOM 797 N ASP A 54 13.919 -6.025 -7.978 1.00 3.43 N ATOM 798 CA ASP A 54 15.051 -6.549 -7.222 1.00 12.13 C ATOM 799 C ASP A 54 15.255 -8.033 -7.509 1.00 21.23 C ATOM 800 O ASP A 54 14.333 -8.725 -7.939 1.00 14.21 O ATOM 801 CB ASP A 54 14.835 -6.331 -5.723 1.00 61.52 C ATOM 802 CG ASP A 54 15.496 -5.063 -5.221 1.00 53.44 C ATOM 803 OD1 ASP A 54 16.703 -4.878 -5.484 1.00 11.11 O ATOM 804 OD2 ASP A 54 14.805 -4.254 -4.567 1.00 5.21 O ATOM 0 H ASP A 54 13.008 -6.349 -7.653 1.00 3.43 H new ATOM 0 HA ASP A 54 15.946 -6.011 -7.534 1.00 12.13 H new ATOM 0 HB2 ASP A 54 13.766 -6.286 -5.516 1.00 61.52 H new ATOM 0 HB3 ASP A 54 15.231 -7.185 -5.174 1.00 61.52 H new ATOM 809 N MET A 55 16.470 -8.515 -7.269 1.00 20.45 N ATOM 810 CA MET A 55 16.795 -9.918 -7.502 1.00 1.32 C ATOM 811 C MET A 55 16.922 -10.673 -6.183 1.00 33.23 C ATOM 812 O MET A 55 16.577 -11.852 -6.097 1.00 43.52 O ATOM 813 CB MET A 55 18.096 -10.036 -8.298 1.00 23.23 C ATOM 814 CG MET A 55 19.245 -9.234 -7.708 1.00 13.03 C ATOM 815 SD MET A 55 20.808 -9.532 -8.556 1.00 12.31 S ATOM 816 CE MET A 55 21.473 -7.871 -8.633 1.00 1.54 C ATOM 0 H MET A 55 17.245 -7.956 -6.914 1.00 20.45 H new ATOM 0 HA MET A 55 15.983 -10.363 -8.078 1.00 1.32 H new ATOM 0 HB2 MET A 55 18.386 -11.085 -8.351 1.00 23.23 H new ATOM 0 HB3 MET A 55 17.918 -9.702 -9.320 1.00 23.23 H new ATOM 0 HG2 MET A 55 19.005 -8.172 -7.759 1.00 13.03 H new ATOM 0 HG3 MET A 55 19.355 -9.486 -6.653 1.00 13.03 H new ATOM 0 HE1 MET A 55 22.442 -7.890 -9.132 1.00 1.54 H new ATOM 0 HE2 MET A 55 20.790 -7.231 -9.191 1.00 1.54 H new ATOM 0 HE3 MET A 55 21.593 -7.480 -7.623 1.00 1.54 H new ATOM 826 N GLN A 56 17.418 -9.987 -5.158 1.00 73.01 N ATOM 827 CA GLN A 56 17.591 -10.595 -3.844 1.00 74.12 C ATOM 828 C GLN A 56 16.242 -10.949 -3.227 1.00 32.53 C ATOM 829 O GLN A 56 16.111 -11.957 -2.530 1.00 54.50 O ATOM 830 CB GLN A 56 18.356 -9.649 -2.918 1.00 2.13 C ATOM 831 CG GLN A 56 18.429 -10.134 -1.479 1.00 4.42 C ATOM 832 CD GLN A 56 19.262 -9.223 -0.598 1.00 12.12 C ATOM 833 OE1 GLN A 56 19.922 -8.304 -1.083 1.00 52.15 O ATOM 834 NE2 GLN A 56 19.235 -9.474 0.706 1.00 52.41 N ATOM 0 H GLN A 56 17.707 -9.010 -5.212 1.00 73.01 H new ATOM 0 HA GLN A 56 18.165 -11.513 -3.969 1.00 74.12 H new ATOM 0 HB2 GLN A 56 19.368 -9.519 -3.301 1.00 2.13 H new ATOM 0 HB3 GLN A 56 17.879 -8.669 -2.939 1.00 2.13 H new ATOM 0 HG2 GLN A 56 17.420 -10.204 -1.072 1.00 4.42 H new ATOM 0 HG3 GLN A 56 18.852 -11.139 -1.459 1.00 4.42 H new ATOM 0 HE21 GLN A 56 18.674 -10.246 1.065 1.00 52.41 H new ATOM 0 HE22 GLN A 56 19.775 -8.894 1.348 1.00 52.41 H new ATOM 843 N THR A 57 15.240 -10.115 -3.486 1.00 50.21 N ATOM 844 CA THR A 57 13.901 -10.339 -2.955 1.00 5.11 C ATOM 845 C THR A 57 12.938 -10.768 -4.055 1.00 60.44 C ATOM 846 O THR A 57 12.088 -11.635 -3.847 1.00 60.21 O ATOM 847 CB THR A 57 13.350 -9.074 -2.270 1.00 71.21 C ATOM 848 OG1 THR A 57 11.959 -9.245 -1.974 1.00 3.52 O ATOM 849 CG2 THR A 57 13.539 -7.853 -3.157 1.00 12.43 C ATOM 0 H THR A 57 15.331 -9.277 -4.061 1.00 50.21 H new ATOM 0 HA THR A 57 13.983 -11.137 -2.217 1.00 5.11 H new ATOM 0 HB THR A 57 13.902 -8.918 -1.343 1.00 71.21 H new ATOM 0 HG1 THR A 57 11.696 -8.620 -1.266 1.00 3.52 H new ATOM 0 HG21 THR A 57 13.142 -6.972 -2.653 1.00 12.43 H new ATOM 0 HG22 THR A 57 14.601 -7.709 -3.357 1.00 12.43 H new ATOM 0 HG23 THR A 57 13.009 -8.001 -4.098 1.00 12.43 H new ATOM 857 N LEU A 58 13.076 -10.158 -5.227 1.00 52.11 N ATOM 858 CA LEU A 58 12.216 -10.477 -6.362 1.00 25.31 C ATOM 859 C LEU A 58 10.745 -10.317 -5.993 1.00 42.31 C ATOM 860 O LEU A 58 9.912 -11.156 -6.337 1.00 51.31 O ATOM 861 CB LEU A 58 12.481 -11.906 -6.841 1.00 11.21 C ATOM 862 CG LEU A 58 13.858 -12.164 -7.453 1.00 61.31 C ATOM 863 CD1 LEU A 58 14.384 -13.527 -7.028 1.00 51.41 C ATOM 864 CD2 LEU A 58 13.795 -12.065 -8.970 1.00 54.32 C ATOM 0 H LEU A 58 13.775 -9.440 -5.417 1.00 52.11 H new ATOM 0 HA LEU A 58 12.447 -9.781 -7.168 1.00 25.31 H new ATOM 0 HB2 LEU A 58 12.349 -12.582 -5.996 1.00 11.21 H new ATOM 0 HB3 LEU A 58 11.723 -12.167 -7.579 1.00 11.21 H new ATOM 0 HG LEU A 58 14.545 -11.401 -7.087 1.00 61.31 H new ATOM 0 HD11 LEU A 58 15.365 -13.693 -7.473 1.00 51.41 H new ATOM 0 HD12 LEU A 58 14.468 -13.562 -5.942 1.00 51.41 H new ATOM 0 HD13 LEU A 58 13.697 -14.303 -7.364 1.00 51.41 H new ATOM 0 HD21 LEU A 58 14.784 -12.252 -9.388 1.00 54.32 H new ATOM 0 HD22 LEU A 58 13.093 -12.805 -9.354 1.00 54.32 H new ATOM 0 HD23 LEU A 58 13.462 -11.067 -9.256 1.00 54.32 H new ATOM 876 N THR A 59 10.431 -9.232 -5.292 1.00 41.40 N ATOM 877 CA THR A 59 9.061 -8.960 -4.878 1.00 14.45 C ATOM 878 C THR A 59 8.107 -9.008 -6.066 1.00 10.42 C ATOM 879 O THR A 59 8.487 -8.750 -7.208 1.00 52.42 O ATOM 880 CB THR A 59 8.943 -7.584 -4.194 1.00 73.05 C ATOM 881 OG1 THR A 59 9.852 -6.657 -4.799 1.00 31.41 O ATOM 882 CG2 THR A 59 9.236 -7.692 -2.706 1.00 30.23 C ATOM 0 H THR A 59 11.108 -8.527 -4.999 1.00 41.40 H new ATOM 0 HA THR A 59 8.787 -9.737 -4.164 1.00 14.45 H new ATOM 0 HB THR A 59 7.921 -7.226 -4.321 1.00 73.05 H new ATOM 0 HG1 THR A 59 9.770 -5.785 -4.360 1.00 31.41 H new ATOM 0 HG21 THR A 59 9.146 -6.708 -2.245 1.00 30.23 H new ATOM 0 HG22 THR A 59 8.524 -8.375 -2.244 1.00 30.23 H new ATOM 0 HG23 THR A 59 10.248 -8.070 -2.561 1.00 30.23 H new ATOM 890 N PRO A 60 6.838 -9.345 -5.794 1.00 14.03 N ATOM 891 CA PRO A 60 5.803 -9.434 -6.828 1.00 51.42 C ATOM 892 C PRO A 60 5.423 -8.066 -7.387 1.00 30.52 C ATOM 893 O PRO A 60 5.084 -7.151 -6.637 1.00 40.30 O ATOM 894 CB PRO A 60 4.616 -10.058 -6.090 1.00 62.44 C ATOM 895 CG PRO A 60 4.825 -9.696 -4.661 1.00 4.43 C ATOM 896 CD PRO A 60 6.315 -9.665 -4.455 1.00 33.31 C ATOM 0 HA PRO A 60 6.137 -10.011 -7.690 1.00 51.42 H new ATOM 0 HB2 PRO A 60 3.669 -9.668 -6.463 1.00 62.44 H new ATOM 0 HB3 PRO A 60 4.590 -11.139 -6.225 1.00 62.44 H new ATOM 0 HG2 PRO A 60 4.380 -8.727 -4.435 1.00 4.43 H new ATOM 0 HG3 PRO A 60 4.355 -10.425 -4.001 1.00 4.43 H new ATOM 0 HD2 PRO A 60 6.604 -8.913 -3.721 1.00 33.31 H new ATOM 0 HD3 PRO A 60 6.691 -10.623 -4.095 1.00 33.31 H new ATOM 904 N VAL A 61 5.481 -7.935 -8.708 1.00 63.13 N ATOM 905 CA VAL A 61 5.141 -6.680 -9.368 1.00 0.05 C ATOM 906 C VAL A 61 4.750 -6.912 -10.823 1.00 2.13 C ATOM 907 O VAL A 61 5.235 -7.841 -11.466 1.00 63.42 O ATOM 908 CB VAL A 61 6.314 -5.683 -9.315 1.00 54.40 C ATOM 909 CG1 VAL A 61 7.507 -6.219 -10.091 1.00 74.41 C ATOM 910 CG2 VAL A 61 5.883 -4.326 -9.853 1.00 64.43 C ATOM 0 H VAL A 61 5.760 -8.683 -9.343 1.00 63.13 H new ATOM 0 HA VAL A 61 4.291 -6.259 -8.830 1.00 0.05 H new ATOM 0 HB VAL A 61 6.615 -5.558 -8.275 1.00 54.40 H new ATOM 0 HG11 VAL A 61 8.325 -5.501 -10.042 1.00 74.41 H new ATOM 0 HG12 VAL A 61 7.828 -7.166 -9.656 1.00 74.41 H new ATOM 0 HG13 VAL A 61 7.224 -6.375 -11.132 1.00 74.41 H new ATOM 0 HG21 VAL A 61 6.723 -3.633 -9.808 1.00 64.43 H new ATOM 0 HG22 VAL A 61 5.555 -4.432 -10.887 1.00 64.43 H new ATOM 0 HG23 VAL A 61 5.062 -3.939 -9.249 1.00 64.43 H new ATOM 920 N GLY A 62 3.869 -6.059 -11.336 1.00 51.14 N ATOM 921 CA GLY A 62 3.428 -6.187 -12.713 1.00 33.41 C ATOM 922 C GLY A 62 2.078 -6.867 -12.828 1.00 31.50 C ATOM 923 O GLY A 62 1.738 -7.729 -12.017 1.00 25.30 O ATOM 0 H GLY A 62 3.453 -5.282 -10.823 1.00 51.14 H new ATOM 0 HA2 GLY A 62 3.373 -5.198 -13.167 1.00 33.41 H new ATOM 0 HA3 GLY A 62 4.167 -6.756 -13.277 1.00 33.41 H new ATOM 927 N ARG A 63 1.305 -6.479 -13.837 1.00 42.30 N ATOM 928 CA ARG A 63 -0.016 -7.055 -14.053 1.00 73.14 C ATOM 929 C ARG A 63 -0.055 -7.853 -15.353 1.00 72.32 C ATOM 930 O ARG A 63 -0.043 -7.283 -16.445 1.00 70.21 O ATOM 931 CB ARG A 63 -1.077 -5.953 -14.087 1.00 73.40 C ATOM 932 CG ARG A 63 -2.457 -6.423 -13.656 1.00 70.31 C ATOM 933 CD ARG A 63 -3.254 -5.298 -13.015 1.00 41.34 C ATOM 934 NE ARG A 63 -4.454 -5.790 -12.345 1.00 12.14 N ATOM 935 CZ ARG A 63 -5.409 -4.997 -11.871 1.00 4.24 C ATOM 936 NH1 ARG A 63 -5.304 -3.681 -11.994 1.00 3.12 N ATOM 937 NH2 ARG A 63 -6.471 -5.520 -11.272 1.00 53.14 N ATOM 0 H ARG A 63 1.571 -5.768 -14.518 1.00 42.30 H new ATOM 0 HA ARG A 63 -0.230 -7.731 -13.225 1.00 73.14 H new ATOM 0 HB2 ARG A 63 -0.761 -5.136 -13.438 1.00 73.40 H new ATOM 0 HB3 ARG A 63 -1.139 -5.551 -15.098 1.00 73.40 H new ATOM 0 HG2 ARG A 63 -2.998 -6.807 -14.521 1.00 70.31 H new ATOM 0 HG3 ARG A 63 -2.358 -7.248 -12.950 1.00 70.31 H new ATOM 0 HD2 ARG A 63 -2.626 -4.774 -12.295 1.00 41.34 H new ATOM 0 HD3 ARG A 63 -3.537 -4.573 -13.779 1.00 41.34 H new ATOM 0 HE ARG A 63 -4.566 -6.798 -12.235 1.00 12.14 H new ATOM 0 HH11 ARG A 63 -4.489 -3.275 -12.453 1.00 3.12 H new ATOM 0 HH12 ARG A 63 -6.039 -3.074 -11.629 1.00 3.12 H new ATOM 0 HH21 ARG A 63 -6.555 -6.532 -11.175 1.00 53.14 H new ATOM 0 HH22 ARG A 63 -7.203 -4.910 -10.909 1.00 53.14 H new ATOM 951 N LEU A 64 -0.101 -9.175 -15.228 1.00 73.04 N ATOM 952 CA LEU A 64 -0.142 -10.053 -16.393 1.00 55.51 C ATOM 953 C LEU A 64 -1.478 -9.931 -17.119 1.00 72.05 C ATOM 954 O LEU A 64 -2.512 -9.679 -16.500 1.00 10.21 O ATOM 955 CB LEU A 64 0.091 -11.504 -15.971 1.00 64.11 C ATOM 956 CG LEU A 64 -1.023 -12.152 -15.148 1.00 51.25 C ATOM 957 CD1 LEU A 64 -1.166 -13.623 -15.508 1.00 2.33 C ATOM 958 CD2 LEU A 64 -0.751 -11.988 -13.660 1.00 73.32 C ATOM 0 H LEU A 64 -0.111 -9.663 -14.332 1.00 73.04 H new ATOM 0 HA LEU A 64 0.651 -9.748 -17.076 1.00 55.51 H new ATOM 0 HB2 LEU A 64 0.246 -12.102 -16.869 1.00 64.11 H new ATOM 0 HB3 LEU A 64 1.015 -11.550 -15.394 1.00 64.11 H new ATOM 0 HG LEU A 64 -1.961 -11.650 -15.382 1.00 51.25 H new ATOM 0 HD11 LEU A 64 -1.963 -14.067 -14.912 1.00 2.33 H new ATOM 0 HD12 LEU A 64 -1.408 -13.717 -16.567 1.00 2.33 H new ATOM 0 HD13 LEU A 64 -0.229 -14.140 -15.303 1.00 2.33 H new ATOM 0 HD21 LEU A 64 -1.554 -12.455 -13.090 1.00 73.32 H new ATOM 0 HD22 LEU A 64 0.197 -12.464 -13.409 1.00 73.32 H new ATOM 0 HD23 LEU A 64 -0.701 -10.927 -13.414 1.00 73.32 H new ATOM 970 N ILE A 65 -1.449 -10.114 -18.435 1.00 71.12 N ATOM 971 CA ILE A 65 -2.658 -10.027 -19.245 1.00 61.10 C ATOM 972 C ILE A 65 -3.215 -11.413 -19.551 1.00 75.01 C ATOM 973 O ILE A 65 -4.412 -11.662 -19.396 1.00 25.11 O ATOM 974 CB ILE A 65 -2.396 -9.287 -20.570 1.00 63.42 C ATOM 975 CG1 ILE A 65 -1.820 -7.896 -20.298 1.00 31.24 C ATOM 976 CG2 ILE A 65 -3.678 -9.186 -21.383 1.00 22.21 C ATOM 977 CD1 ILE A 65 -2.758 -6.995 -19.526 1.00 53.53 C ATOM 0 H ILE A 65 -0.602 -10.323 -18.963 1.00 71.12 H new ATOM 0 HA ILE A 65 -3.388 -9.465 -18.663 1.00 61.10 H new ATOM 0 HB ILE A 65 -1.666 -9.855 -21.148 1.00 63.42 H new ATOM 0 HG12 ILE A 65 -0.888 -8.000 -19.742 1.00 31.24 H new ATOM 0 HG13 ILE A 65 -1.573 -7.422 -21.248 1.00 31.24 H new ATOM 0 HG21 ILE A 65 -3.476 -8.660 -22.316 1.00 22.21 H new ATOM 0 HG22 ILE A 65 -4.049 -10.187 -21.603 1.00 22.21 H new ATOM 0 HG23 ILE A 65 -4.428 -8.638 -20.813 1.00 22.21 H new ATOM 0 HD11 ILE A 65 -2.285 -6.026 -19.369 1.00 53.53 H new ATOM 0 HD12 ILE A 65 -3.681 -6.861 -20.091 1.00 53.53 H new ATOM 0 HD13 ILE A 65 -2.986 -7.448 -18.561 1.00 53.53 H new ATOM 989 N THR A 66 -2.340 -12.314 -19.986 1.00 32.41 N ATOM 990 CA THR A 66 -2.744 -13.676 -20.313 1.00 40.01 C ATOM 991 C THR A 66 -3.454 -14.336 -19.137 1.00 74.42 C ATOM 992 O THR A 66 -3.259 -13.950 -17.985 1.00 63.23 O ATOM 993 CB THR A 66 -1.534 -14.539 -20.718 1.00 1.05 C ATOM 994 OG1 THR A 66 -1.981 -15.797 -21.236 1.00 4.12 O ATOM 995 CG2 THR A 66 -0.614 -14.772 -19.529 1.00 31.45 C ATOM 0 H THR A 66 -1.347 -12.125 -20.120 1.00 32.41 H new ATOM 0 HA THR A 66 -3.431 -13.608 -21.157 1.00 40.01 H new ATOM 0 HB THR A 66 -0.977 -14.007 -21.489 1.00 1.05 H new ATOM 0 HG1 THR A 66 -1.542 -15.972 -22.094 1.00 4.12 H new ATOM 0 HG21 THR A 66 0.233 -15.384 -19.839 1.00 31.45 H new ATOM 0 HG22 THR A 66 -0.252 -13.814 -19.155 1.00 31.45 H new ATOM 0 HG23 THR A 66 -1.163 -15.286 -18.740 1.00 31.45 H new ATOM 1003 N ALA A 67 -4.279 -15.335 -19.435 1.00 55.33 N ATOM 1004 CA ALA A 67 -5.015 -16.052 -18.402 1.00 35.04 C ATOM 1005 C ALA A 67 -4.370 -17.401 -18.104 1.00 70.21 C ATOM 1006 O ALA A 67 -4.003 -17.686 -16.965 1.00 63.22 O ATOM 1007 CB ALA A 67 -6.466 -16.240 -18.821 1.00 11.34 C ATOM 0 H ALA A 67 -4.454 -15.666 -20.384 1.00 55.33 H new ATOM 0 HA ALA A 67 -4.986 -15.455 -17.490 1.00 35.04 H new ATOM 0 HB1 ALA A 67 -7.004 -16.777 -18.040 1.00 11.34 H new ATOM 0 HB2 ALA A 67 -6.929 -15.266 -18.976 1.00 11.34 H new ATOM 0 HB3 ALA A 67 -6.506 -16.812 -19.748 1.00 11.34 H new ATOM 1013 N ASN A 68 -4.236 -18.228 -19.136 1.00 22.21 N ATOM 1014 CA ASN A 68 -3.634 -19.548 -18.984 1.00 73.13 C ATOM 1015 C ASN A 68 -2.824 -19.922 -20.222 1.00 2.15 C ATOM 1016 O ASN A 68 -3.227 -20.760 -21.029 1.00 11.43 O ATOM 1017 CB ASN A 68 -4.717 -20.599 -18.734 1.00 34.34 C ATOM 1018 CG ASN A 68 -4.149 -22.001 -18.626 1.00 2.05 C ATOM 1019 OD1 ASN A 68 -3.130 -22.221 -17.971 1.00 5.50 O ATOM 1020 ND2 ASN A 68 -4.807 -22.958 -19.270 1.00 12.44 N ATOM 0 H ASN A 68 -4.536 -18.008 -20.086 1.00 22.21 H new ATOM 0 HA ASN A 68 -2.962 -19.517 -18.127 1.00 73.13 H new ATOM 0 HB2 ASN A 68 -5.251 -20.355 -17.816 1.00 34.34 H new ATOM 0 HB3 ASN A 68 -5.445 -20.566 -19.545 1.00 34.34 H new ATOM 0 HD21 ASN A 68 -4.472 -23.921 -19.234 1.00 12.44 H new ATOM 0 HD22 ASN A 68 -5.648 -22.730 -19.801 1.00 12.44 H new ATOM 1027 N PRO A 69 -1.652 -19.287 -20.375 1.00 72.14 N ATOM 1028 CA PRO A 69 -0.760 -19.537 -21.511 1.00 40.44 C ATOM 1029 C PRO A 69 -0.116 -20.917 -21.450 1.00 64.22 C ATOM 1030 O PRO A 69 0.519 -21.274 -20.457 1.00 42.34 O ATOM 1031 CB PRO A 69 0.303 -18.444 -21.374 1.00 41.22 C ATOM 1032 CG PRO A 69 0.308 -18.100 -19.925 1.00 23.45 C ATOM 1033 CD PRO A 69 -1.108 -18.277 -19.452 1.00 32.41 C ATOM 0 HA PRO A 69 -1.294 -19.515 -22.461 1.00 40.44 H new ATOM 0 HB2 PRO A 69 1.281 -18.799 -21.700 1.00 41.22 H new ATOM 0 HB3 PRO A 69 0.059 -17.576 -21.986 1.00 41.22 H new ATOM 0 HG2 PRO A 69 0.988 -18.749 -19.372 1.00 23.45 H new ATOM 0 HG3 PRO A 69 0.647 -17.076 -19.768 1.00 23.45 H new ATOM 0 HD2 PRO A 69 -1.146 -18.616 -18.417 1.00 32.41 H new ATOM 0 HD3 PRO A 69 -1.668 -17.343 -19.502 1.00 32.41 H new ATOM 1041 N VAL A 70 -0.282 -21.691 -22.518 1.00 73.01 N ATOM 1042 CA VAL A 70 0.284 -23.033 -22.586 1.00 43.30 C ATOM 1043 C VAL A 70 0.778 -23.350 -23.993 1.00 74.41 C ATOM 1044 O VAL A 70 0.194 -22.905 -24.982 1.00 11.24 O ATOM 1045 CB VAL A 70 -0.744 -24.098 -22.162 1.00 23.35 C ATOM 1046 CG1 VAL A 70 -1.279 -23.799 -20.769 1.00 70.45 C ATOM 1047 CG2 VAL A 70 -1.878 -24.176 -23.172 1.00 62.44 C ATOM 0 H VAL A 70 -0.804 -21.411 -23.348 1.00 73.01 H new ATOM 0 HA VAL A 70 1.126 -23.057 -21.894 1.00 43.30 H new ATOM 0 HB VAL A 70 -0.246 -25.067 -22.134 1.00 23.35 H new ATOM 0 HG11 VAL A 70 -2.004 -24.562 -20.486 1.00 70.45 H new ATOM 0 HG12 VAL A 70 -0.455 -23.799 -20.055 1.00 70.45 H new ATOM 0 HG13 VAL A 70 -1.761 -22.822 -20.767 1.00 70.45 H new ATOM 0 HG21 VAL A 70 -2.595 -24.934 -22.856 1.00 62.44 H new ATOM 0 HG22 VAL A 70 -2.376 -23.209 -23.235 1.00 62.44 H new ATOM 0 HG23 VAL A 70 -1.477 -24.442 -24.150 1.00 62.44 H new ATOM 1057 N ILE A 71 1.855 -24.123 -24.076 1.00 21.41 N ATOM 1058 CA ILE A 71 2.426 -24.502 -25.362 1.00 72.45 C ATOM 1059 C ILE A 71 1.604 -25.602 -26.026 1.00 32.11 C ATOM 1060 O ILE A 71 1.160 -26.544 -25.368 1.00 64.45 O ATOM 1061 CB ILE A 71 3.881 -24.984 -25.213 1.00 0.01 C ATOM 1062 CG1 ILE A 71 4.686 -23.991 -24.372 1.00 31.12 C ATOM 1063 CG2 ILE A 71 4.521 -25.169 -26.581 1.00 10.33 C ATOM 1064 CD1 ILE A 71 4.722 -22.596 -24.954 1.00 51.43 C ATOM 0 H ILE A 71 2.350 -24.499 -23.267 1.00 21.41 H new ATOM 0 HA ILE A 71 2.410 -23.610 -25.989 1.00 72.45 H new ATOM 0 HB ILE A 71 3.879 -25.947 -24.702 1.00 0.01 H new ATOM 0 HG12 ILE A 71 4.260 -23.947 -23.370 1.00 31.12 H new ATOM 0 HG13 ILE A 71 5.707 -24.359 -24.268 1.00 31.12 H new ATOM 0 HG21 ILE A 71 5.549 -25.510 -26.459 1.00 10.33 H new ATOM 0 HG22 ILE A 71 3.958 -25.910 -27.149 1.00 10.33 H new ATOM 0 HG23 ILE A 71 4.515 -24.220 -27.117 1.00 10.33 H new ATOM 0 HD11 ILE A 71 5.310 -21.946 -24.305 1.00 51.43 H new ATOM 0 HD12 ILE A 71 5.176 -22.627 -25.945 1.00 51.43 H new ATOM 0 HD13 ILE A 71 3.706 -22.208 -25.032 1.00 51.43 H new ATOM 1076 N THR A 72 1.405 -25.477 -27.334 1.00 72.15 N ATOM 1077 CA THR A 72 0.636 -26.459 -28.088 1.00 34.32 C ATOM 1078 C THR A 72 1.497 -27.136 -29.148 1.00 74.12 C ATOM 1079 O THR A 72 1.355 -28.331 -29.405 1.00 21.21 O ATOM 1080 CB THR A 72 -0.585 -25.814 -28.770 1.00 15.34 C ATOM 1081 OG1 THR A 72 -0.281 -24.466 -29.147 1.00 24.34 O ATOM 1082 CG2 THR A 72 -1.792 -25.826 -27.843 1.00 41.20 C ATOM 0 H THR A 72 1.766 -24.705 -27.894 1.00 72.15 H new ATOM 0 HA THR A 72 0.291 -27.206 -27.373 1.00 34.32 H new ATOM 0 HB THR A 72 -0.824 -26.395 -29.661 1.00 15.34 H new ATOM 0 HG1 THR A 72 0.379 -24.470 -29.871 1.00 24.34 H new ATOM 0 HG21 THR A 72 -2.642 -25.365 -28.346 1.00 41.20 H new ATOM 0 HG22 THR A 72 -2.039 -26.855 -27.581 1.00 41.20 H new ATOM 0 HG23 THR A 72 -1.560 -25.267 -26.937 1.00 41.20 H new ATOM 1090 N GLU A 73 2.389 -26.364 -29.760 1.00 61.15 N ATOM 1091 CA GLU A 73 3.272 -26.891 -30.794 1.00 42.24 C ATOM 1092 C GLU A 73 4.088 -28.067 -30.266 1.00 32.32 C ATOM 1093 O GLU A 73 4.229 -28.245 -29.056 1.00 2.41 O ATOM 1094 CB GLU A 73 4.210 -25.794 -31.303 1.00 13.20 C ATOM 1095 CG GLU A 73 3.495 -24.680 -32.050 1.00 32.14 C ATOM 1096 CD GLU A 73 2.930 -23.624 -31.120 1.00 13.30 C ATOM 1097 OE1 GLU A 73 1.755 -23.241 -31.303 1.00 1.51 O ATOM 1098 OE2 GLU A 73 3.661 -23.180 -30.210 1.00 62.34 O ATOM 0 H GLU A 73 2.519 -25.373 -29.558 1.00 61.15 H new ATOM 0 HA GLU A 73 2.653 -27.242 -31.619 1.00 42.24 H new ATOM 0 HB2 GLU A 73 4.748 -25.366 -30.457 1.00 13.20 H new ATOM 0 HB3 GLU A 73 4.955 -26.241 -31.961 1.00 13.20 H new ATOM 0 HG2 GLU A 73 4.189 -24.211 -32.747 1.00 32.14 H new ATOM 0 HG3 GLU A 73 2.686 -25.106 -32.644 1.00 32.14 H new ATOM 1105 N SER A 74 4.622 -28.869 -31.182 1.00 13.21 N ATOM 1106 CA SER A 74 5.419 -30.031 -30.809 1.00 64.22 C ATOM 1107 C SER A 74 6.857 -29.883 -31.299 1.00 33.40 C ATOM 1108 O SER A 74 7.802 -30.290 -30.622 1.00 15.02 O ATOM 1109 CB SER A 74 4.801 -31.307 -31.385 1.00 51.51 C ATOM 1110 OG SER A 74 4.603 -31.191 -32.784 1.00 1.25 O ATOM 0 H SER A 74 4.517 -28.735 -32.188 1.00 13.21 H new ATOM 0 HA SER A 74 5.429 -30.100 -29.721 1.00 64.22 H new ATOM 0 HB2 SER A 74 5.451 -32.156 -31.176 1.00 51.51 H new ATOM 0 HB3 SER A 74 3.848 -31.507 -30.895 1.00 51.51 H new ATOM 0 HG SER A 74 4.209 -32.020 -33.128 1.00 1.25 H new ATOM 1116 N THR A 75 7.015 -29.298 -32.482 1.00 51.11 N ATOM 1117 CA THR A 75 8.335 -29.098 -33.065 1.00 44.24 C ATOM 1118 C THR A 75 9.182 -28.169 -32.203 1.00 24.00 C ATOM 1119 O THR A 75 8.674 -27.210 -31.625 1.00 13.55 O ATOM 1120 CB THR A 75 8.239 -28.513 -34.487 1.00 72.43 C ATOM 1121 OG1 THR A 75 9.543 -28.161 -34.962 1.00 0.54 O ATOM 1122 CG2 THR A 75 7.337 -27.288 -34.509 1.00 22.32 C ATOM 0 H THR A 75 6.244 -28.954 -33.055 1.00 51.11 H new ATOM 0 HA THR A 75 8.810 -30.078 -33.114 1.00 44.24 H new ATOM 0 HB THR A 75 7.809 -29.273 -35.140 1.00 72.43 H new ATOM 0 HG1 THR A 75 9.473 -27.792 -35.867 1.00 0.54 H new ATOM 0 HG21 THR A 75 7.285 -26.893 -35.523 1.00 22.32 H new ATOM 0 HG22 THR A 75 6.337 -27.566 -34.176 1.00 22.32 H new ATOM 0 HG23 THR A 75 7.742 -26.526 -33.843 1.00 22.32 H new ATOM 1130 N GLU A 76 10.477 -28.461 -32.122 1.00 51.42 N ATOM 1131 CA GLU A 76 11.394 -27.650 -31.329 1.00 33.40 C ATOM 1132 C GLU A 76 11.319 -26.183 -31.741 1.00 14.01 C ATOM 1133 O GLU A 76 10.664 -25.836 -32.723 1.00 0.11 O ATOM 1134 CB GLU A 76 12.827 -28.162 -31.485 1.00 22.44 C ATOM 1135 CG GLU A 76 13.064 -29.516 -30.836 1.00 72.02 C ATOM 1136 CD GLU A 76 14.243 -30.254 -31.440 1.00 2.23 C ATOM 1137 OE1 GLU A 76 14.080 -30.839 -32.531 1.00 25.21 O ATOM 1138 OE2 GLU A 76 15.328 -30.246 -30.821 1.00 71.33 O ATOM 0 H GLU A 76 10.914 -29.252 -32.595 1.00 51.42 H new ATOM 0 HA GLU A 76 11.098 -27.731 -30.283 1.00 33.40 H new ATOM 0 HB2 GLU A 76 13.066 -28.230 -32.546 1.00 22.44 H new ATOM 0 HB3 GLU A 76 13.513 -27.435 -31.050 1.00 22.44 H new ATOM 0 HG2 GLU A 76 13.235 -29.378 -29.768 1.00 72.02 H new ATOM 0 HG3 GLU A 76 12.167 -30.126 -30.939 1.00 72.02 H new ATOM 1145 N ASN A 77 11.994 -25.326 -30.982 1.00 33.03 N ATOM 1146 CA ASN A 77 12.002 -23.896 -31.266 1.00 10.54 C ATOM 1147 C ASN A 77 10.588 -23.324 -31.221 1.00 41.04 C ATOM 1148 O ASN A 77 10.185 -22.568 -32.105 1.00 44.41 O ATOM 1149 CB ASN A 77 12.629 -23.630 -32.636 1.00 32.12 C ATOM 1150 CG ASN A 77 14.040 -24.175 -32.742 1.00 31.55 C ATOM 1151 OD1 ASN A 77 15.014 -23.448 -32.550 1.00 5.00 O ATOM 1152 ND2 ASN A 77 14.155 -25.462 -33.048 1.00 62.41 N ATOM 0 H ASN A 77 12.542 -25.597 -30.166 1.00 33.03 H new ATOM 0 HA ASN A 77 12.599 -23.402 -30.499 1.00 10.54 H new ATOM 0 HB2 ASN A 77 12.009 -24.082 -33.410 1.00 32.12 H new ATOM 0 HB3 ASN A 77 12.642 -22.556 -32.824 1.00 32.12 H new ATOM 0 HD21 ASN A 77 15.079 -25.886 -33.132 1.00 62.41 H new ATOM 0 HD22 ASN A 77 13.319 -26.027 -33.199 1.00 62.41 H new ATOM 1159 N SER A 78 9.839 -23.691 -30.186 1.00 45.31 N ATOM 1160 CA SER A 78 8.470 -23.215 -30.027 1.00 22.55 C ATOM 1161 C SER A 78 8.447 -21.831 -29.386 1.00 51.12 C ATOM 1162 O SER A 78 8.876 -21.654 -28.246 1.00 12.42 O ATOM 1163 CB SER A 78 7.663 -24.197 -29.175 1.00 22.32 C ATOM 1164 OG SER A 78 7.530 -25.448 -29.827 1.00 73.22 O ATOM 0 H SER A 78 10.157 -24.316 -29.445 1.00 45.31 H new ATOM 0 HA SER A 78 8.018 -23.146 -31.016 1.00 22.55 H new ATOM 0 HB2 SER A 78 8.154 -24.336 -28.212 1.00 22.32 H new ATOM 0 HB3 SER A 78 6.676 -23.782 -28.973 1.00 22.32 H new ATOM 0 HG SER A 78 8.272 -25.570 -30.456 1.00 73.22 H new ATOM 1170 N LYS A 79 7.943 -20.851 -30.129 1.00 34.13 N ATOM 1171 CA LYS A 79 7.860 -19.482 -29.635 1.00 51.54 C ATOM 1172 C LYS A 79 6.406 -19.048 -29.475 1.00 4.11 C ATOM 1173 O LYS A 79 5.564 -19.343 -30.322 1.00 51.21 O ATOM 1174 CB LYS A 79 8.585 -18.529 -30.589 1.00 71.43 C ATOM 1175 CG LYS A 79 8.207 -18.725 -32.047 1.00 62.04 C ATOM 1176 CD LYS A 79 7.764 -17.421 -32.688 1.00 52.44 C ATOM 1177 CE LYS A 79 8.916 -16.732 -33.404 1.00 55.33 C ATOM 1178 NZ LYS A 79 9.278 -17.428 -34.670 1.00 13.21 N ATOM 0 H LYS A 79 7.586 -20.980 -31.076 1.00 34.13 H new ATOM 0 HA LYS A 79 8.342 -19.445 -28.658 1.00 51.54 H new ATOM 0 HB2 LYS A 79 8.364 -17.501 -30.300 1.00 71.43 H new ATOM 0 HB3 LYS A 79 9.661 -18.667 -30.479 1.00 71.43 H new ATOM 0 HG2 LYS A 79 9.059 -19.129 -32.594 1.00 62.04 H new ATOM 0 HG3 LYS A 79 7.404 -19.459 -32.120 1.00 62.04 H new ATOM 0 HD2 LYS A 79 6.959 -17.618 -33.397 1.00 52.44 H new ATOM 0 HD3 LYS A 79 7.360 -16.757 -31.923 1.00 52.44 H new ATOM 0 HE2 LYS A 79 8.642 -15.700 -33.622 1.00 55.33 H new ATOM 0 HE3 LYS A 79 9.785 -16.699 -32.746 1.00 55.33 H new ATOM 0 HZ1 LYS A 79 9.877 -16.806 -35.249 1.00 13.21 H new ATOM 0 HZ2 LYS A 79 9.797 -18.302 -34.450 1.00 13.21 H new ATOM 0 HZ3 LYS A 79 8.413 -17.663 -35.197 1.00 13.21 H new ATOM 1192 N MET A 80 6.120 -18.345 -28.384 1.00 23.33 N ATOM 1193 CA MET A 80 4.769 -17.868 -28.115 1.00 73.00 C ATOM 1194 C MET A 80 4.790 -16.426 -27.618 1.00 41.13 C ATOM 1195 O MET A 80 5.604 -16.064 -26.769 1.00 60.41 O ATOM 1196 CB MET A 80 4.084 -18.765 -27.082 1.00 71.33 C ATOM 1197 CG MET A 80 2.575 -18.590 -27.030 1.00 51.41 C ATOM 1198 SD MET A 80 1.734 -20.015 -26.314 1.00 1.31 S ATOM 1199 CE MET A 80 1.609 -21.088 -27.743 1.00 5.43 C ATOM 0 H MET A 80 6.806 -18.093 -27.672 1.00 23.33 H new ATOM 0 HA MET A 80 4.206 -17.904 -29.048 1.00 73.00 H new ATOM 0 HB2 MET A 80 4.313 -19.806 -27.308 1.00 71.33 H new ATOM 0 HB3 MET A 80 4.500 -18.554 -26.097 1.00 71.33 H new ATOM 0 HG2 MET A 80 2.336 -17.701 -26.446 1.00 51.41 H new ATOM 0 HG3 MET A 80 2.198 -18.420 -28.038 1.00 51.41 H new ATOM 0 HE1 MET A 80 1.109 -22.014 -27.460 1.00 5.43 H new ATOM 0 HE2 MET A 80 1.034 -20.589 -28.523 1.00 5.43 H new ATOM 0 HE3 MET A 80 2.608 -21.314 -28.117 1.00 5.43 H new ATOM 1209 N MET A 81 3.891 -15.607 -28.154 1.00 12.12 N ATOM 1210 CA MET A 81 3.806 -14.205 -27.763 1.00 3.43 C ATOM 1211 C MET A 81 2.929 -14.037 -26.526 1.00 54.14 C ATOM 1212 O MET A 81 2.066 -14.871 -26.247 1.00 50.32 O ATOM 1213 CB MET A 81 3.251 -13.364 -28.914 1.00 61.34 C ATOM 1214 CG MET A 81 3.602 -11.889 -28.814 1.00 52.31 C ATOM 1215 SD MET A 81 2.685 -10.875 -29.991 1.00 20.45 S ATOM 1216 CE MET A 81 3.994 -9.834 -30.632 1.00 75.34 C ATOM 0 H MET A 81 3.211 -15.890 -28.860 1.00 12.12 H new ATOM 0 HA MET A 81 4.812 -13.860 -27.523 1.00 3.43 H new ATOM 0 HB2 MET A 81 3.632 -13.757 -29.857 1.00 61.34 H new ATOM 0 HB3 MET A 81 2.166 -13.470 -28.940 1.00 61.34 H new ATOM 0 HG2 MET A 81 3.398 -11.539 -27.802 1.00 52.31 H new ATOM 0 HG3 MET A 81 4.671 -11.761 -28.986 1.00 52.31 H new ATOM 0 HE1 MET A 81 3.559 -8.959 -31.116 1.00 75.34 H new ATOM 0 HE2 MET A 81 4.638 -9.513 -29.813 1.00 75.34 H new ATOM 0 HE3 MET A 81 4.583 -10.395 -31.358 1.00 75.34 H new ATOM 1226 N LEU A 82 3.154 -12.955 -25.789 1.00 31.32 N ATOM 1227 CA LEU A 82 2.383 -12.679 -24.581 1.00 45.43 C ATOM 1228 C LEU A 82 2.189 -11.178 -24.392 1.00 0.45 C ATOM 1229 O LEU A 82 2.843 -10.370 -25.050 1.00 53.33 O ATOM 1230 CB LEU A 82 3.084 -13.272 -23.358 1.00 65.32 C ATOM 1231 CG LEU A 82 2.948 -14.784 -23.174 1.00 60.14 C ATOM 1232 CD1 LEU A 82 4.043 -15.515 -23.935 1.00 62.32 C ATOM 1233 CD2 LEU A 82 2.988 -15.148 -21.697 1.00 44.43 C ATOM 0 H LEU A 82 3.863 -12.255 -26.006 1.00 31.32 H new ATOM 0 HA LEU A 82 1.403 -13.143 -24.690 1.00 45.43 H new ATOM 0 HB2 LEU A 82 4.145 -13.027 -23.418 1.00 65.32 H new ATOM 0 HB3 LEU A 82 2.693 -12.781 -22.467 1.00 65.32 H new ATOM 0 HG LEU A 82 1.984 -15.094 -23.578 1.00 60.14 H new ATOM 0 HD11 LEU A 82 3.930 -16.590 -23.792 1.00 62.32 H new ATOM 0 HD12 LEU A 82 3.967 -15.280 -24.997 1.00 62.32 H new ATOM 0 HD13 LEU A 82 5.018 -15.200 -23.562 1.00 62.32 H new ATOM 0 HD21 LEU A 82 2.890 -16.228 -21.586 1.00 44.43 H new ATOM 0 HD22 LEU A 82 3.936 -14.824 -21.268 1.00 44.43 H new ATOM 0 HD23 LEU A 82 2.167 -14.654 -21.178 1.00 44.43 H new ATOM 1245 N GLU A 83 1.287 -10.813 -23.485 1.00 44.23 N ATOM 1246 CA GLU A 83 1.008 -9.409 -23.209 1.00 51.52 C ATOM 1247 C GLU A 83 1.299 -9.073 -21.749 1.00 44.44 C ATOM 1248 O GLU A 83 0.933 -9.822 -20.843 1.00 3.11 O ATOM 1249 CB GLU A 83 -0.450 -9.082 -23.538 1.00 14.33 C ATOM 1250 CG GLU A 83 -0.687 -8.764 -25.005 1.00 13.24 C ATOM 1251 CD GLU A 83 -0.427 -7.307 -25.335 1.00 50.02 C ATOM 1252 OE1 GLU A 83 -0.626 -6.453 -24.446 1.00 54.21 O ATOM 1253 OE2 GLU A 83 -0.025 -7.021 -26.482 1.00 64.01 O ATOM 0 H GLU A 83 0.738 -11.470 -22.930 1.00 44.23 H new ATOM 0 HA GLU A 83 1.660 -8.805 -23.840 1.00 51.52 H new ATOM 0 HB2 GLU A 83 -1.076 -9.927 -23.252 1.00 14.33 H new ATOM 0 HB3 GLU A 83 -0.768 -8.232 -22.935 1.00 14.33 H new ATOM 0 HG2 GLU A 83 -0.041 -9.392 -25.618 1.00 13.24 H new ATOM 0 HG3 GLU A 83 -1.715 -9.014 -25.266 1.00 13.24 H new ATOM 1260 N LEU A 84 1.961 -7.942 -21.530 1.00 11.33 N ATOM 1261 CA LEU A 84 2.302 -7.505 -20.180 1.00 43.14 C ATOM 1262 C LEU A 84 1.966 -6.030 -19.984 1.00 31.10 C ATOM 1263 O LEU A 84 2.189 -5.208 -20.873 1.00 60.52 O ATOM 1264 CB LEU A 84 3.789 -7.741 -19.907 1.00 73.43 C ATOM 1265 CG LEU A 84 4.380 -9.029 -20.483 1.00 4.51 C ATOM 1266 CD1 LEU A 84 5.887 -9.063 -20.276 1.00 53.54 C ATOM 1267 CD2 LEU A 84 3.726 -10.247 -19.848 1.00 54.23 C ATOM 0 H LEU A 84 2.272 -7.311 -22.269 1.00 11.33 H new ATOM 0 HA LEU A 84 1.711 -8.090 -19.475 1.00 43.14 H new ATOM 0 HB2 LEU A 84 4.350 -6.897 -20.307 1.00 73.43 H new ATOM 0 HB3 LEU A 84 3.944 -7.744 -18.828 1.00 73.43 H new ATOM 0 HG LEU A 84 4.179 -9.051 -21.554 1.00 4.51 H new ATOM 0 HD11 LEU A 84 6.291 -9.986 -20.692 1.00 53.54 H new ATOM 0 HD12 LEU A 84 6.343 -8.209 -20.778 1.00 53.54 H new ATOM 0 HD13 LEU A 84 6.109 -9.018 -19.210 1.00 53.54 H new ATOM 0 HD21 LEU A 84 4.159 -11.154 -20.270 1.00 54.23 H new ATOM 0 HD22 LEU A 84 3.895 -10.231 -18.771 1.00 54.23 H new ATOM 0 HD23 LEU A 84 2.654 -10.230 -20.047 1.00 54.23 H new ATOM 1279 N ASP A 85 1.430 -5.702 -18.814 1.00 0.24 N ATOM 1280 CA ASP A 85 1.066 -4.325 -18.499 1.00 32.33 C ATOM 1281 C ASP A 85 1.680 -3.891 -17.171 1.00 54.24 C ATOM 1282 O ASP A 85 0.990 -3.724 -16.165 1.00 73.33 O ATOM 1283 CB ASP A 85 -0.456 -4.178 -18.444 1.00 4.41 C ATOM 1284 CG ASP A 85 -0.913 -2.770 -18.771 1.00 43.41 C ATOM 1285 OD1 ASP A 85 -0.069 -1.957 -19.205 1.00 70.32 O ATOM 1286 OD2 ASP A 85 -2.114 -2.480 -18.594 1.00 33.22 O ATOM 0 H ASP A 85 1.238 -6.370 -18.068 1.00 0.24 H new ATOM 0 HA ASP A 85 1.457 -3.682 -19.287 1.00 32.33 H new ATOM 0 HB2 ASP A 85 -0.911 -4.877 -19.146 1.00 4.41 H new ATOM 0 HB3 ASP A 85 -0.809 -4.450 -17.449 1.00 4.41 H new ATOM 1291 N PRO A 86 3.008 -3.704 -17.166 1.00 53.54 N ATOM 1292 CA PRO A 86 3.744 -3.287 -15.969 1.00 71.11 C ATOM 1293 C PRO A 86 3.441 -1.846 -15.574 1.00 54.11 C ATOM 1294 O PRO A 86 2.840 -1.083 -16.331 1.00 2.41 O ATOM 1295 CB PRO A 86 5.210 -3.430 -16.386 1.00 73.05 C ATOM 1296 CG PRO A 86 5.197 -3.291 -17.870 1.00 35.33 C ATOM 1297 CD PRO A 86 3.893 -3.883 -18.329 1.00 71.24 C ATOM 0 HA PRO A 86 3.474 -3.883 -15.097 1.00 71.11 H new ATOM 0 HB2 PRO A 86 5.830 -2.663 -15.922 1.00 73.05 H new ATOM 0 HB3 PRO A 86 5.616 -4.395 -16.082 1.00 73.05 H new ATOM 0 HG2 PRO A 86 5.276 -2.245 -18.165 1.00 35.33 H new ATOM 0 HG3 PRO A 86 6.042 -3.813 -18.318 1.00 35.33 H new ATOM 0 HD2 PRO A 86 3.507 -3.370 -19.210 1.00 71.24 H new ATOM 0 HD3 PRO A 86 4.000 -4.935 -18.594 1.00 71.24 H new ATOM 1305 N PRO A 87 3.865 -1.462 -14.361 1.00 32.21 N ATOM 1306 CA PRO A 87 3.650 -0.110 -13.838 1.00 51.53 C ATOM 1307 C PRO A 87 4.488 0.934 -14.569 1.00 55.22 C ATOM 1308 O PRO A 87 5.145 0.631 -15.565 1.00 72.21 O ATOM 1309 CB PRO A 87 4.090 -0.220 -12.376 1.00 72.04 C ATOM 1310 CG PRO A 87 5.060 -1.351 -12.357 1.00 15.30 C ATOM 1311 CD PRO A 87 4.588 -2.319 -13.406 1.00 75.10 C ATOM 0 HA PRO A 87 2.617 0.215 -13.963 1.00 51.53 H new ATOM 0 HB2 PRO A 87 4.553 0.705 -12.031 1.00 72.04 H new ATOM 0 HB3 PRO A 87 3.241 -0.415 -11.721 1.00 72.04 H new ATOM 0 HG2 PRO A 87 6.070 -1.003 -12.574 1.00 15.30 H new ATOM 0 HG3 PRO A 87 5.089 -1.823 -11.375 1.00 15.30 H new ATOM 0 HD2 PRO A 87 5.422 -2.835 -13.881 1.00 75.10 H new ATOM 0 HD3 PRO A 87 3.939 -3.085 -12.983 1.00 75.10 H new ATOM 1319 N PHE A 88 4.460 2.165 -14.068 1.00 71.24 N ATOM 1320 CA PHE A 88 5.218 3.253 -14.673 1.00 45.52 C ATOM 1321 C PHE A 88 6.623 3.331 -14.083 1.00 4.12 C ATOM 1322 O PHE A 88 6.837 3.948 -13.040 1.00 43.23 O ATOM 1323 CB PHE A 88 4.493 4.585 -14.468 1.00 74.30 C ATOM 1324 CG PHE A 88 3.058 4.560 -14.912 1.00 70.13 C ATOM 1325 CD1 PHE A 88 2.699 5.026 -16.167 1.00 23.31 C ATOM 1326 CD2 PHE A 88 2.068 4.071 -14.075 1.00 1.21 C ATOM 1327 CE1 PHE A 88 1.380 5.004 -16.579 1.00 21.10 C ATOM 1328 CE2 PHE A 88 0.747 4.047 -14.482 1.00 24.43 C ATOM 1329 CZ PHE A 88 0.403 4.515 -15.735 1.00 32.43 C ATOM 0 H PHE A 88 3.921 2.433 -13.245 1.00 71.24 H new ATOM 0 HA PHE A 88 5.301 3.053 -15.741 1.00 45.52 H new ATOM 0 HB2 PHE A 88 4.534 4.853 -13.412 1.00 74.30 H new ATOM 0 HB3 PHE A 88 5.021 5.365 -15.016 1.00 74.30 H new ATOM 0 HD1 PHE A 88 3.459 5.411 -16.831 1.00 23.31 H new ATOM 0 HD2 PHE A 88 2.331 3.705 -13.094 1.00 1.21 H new ATOM 0 HE1 PHE A 88 1.114 5.369 -17.560 1.00 21.10 H new ATOM 0 HE2 PHE A 88 -0.015 3.663 -13.821 1.00 24.43 H new ATOM 0 HZ PHE A 88 -0.629 4.498 -16.054 1.00 32.43 H new ATOM 1339 N GLY A 89 7.579 2.699 -14.758 1.00 54.02 N ATOM 1340 CA GLY A 89 8.951 2.708 -14.286 1.00 51.23 C ATOM 1341 C GLY A 89 9.806 1.660 -14.970 1.00 43.44 C ATOM 1342 O GLY A 89 9.521 1.255 -16.097 1.00 54.13 O ATOM 0 H GLY A 89 7.427 2.181 -15.623 1.00 54.02 H new ATOM 0 HA2 GLY A 89 9.384 3.694 -14.456 1.00 51.23 H new ATOM 0 HA3 GLY A 89 8.963 2.536 -13.210 1.00 51.23 H new ATOM 1346 N ASP A 90 10.859 1.222 -14.289 1.00 60.32 N ATOM 1347 CA ASP A 90 11.761 0.216 -14.839 1.00 74.01 C ATOM 1348 C ASP A 90 11.624 -1.105 -14.088 1.00 51.04 C ATOM 1349 O ASP A 90 11.215 -1.131 -12.928 1.00 31.33 O ATOM 1350 CB ASP A 90 13.208 0.707 -14.773 1.00 73.23 C ATOM 1351 CG ASP A 90 13.493 1.501 -13.514 1.00 11.11 C ATOM 1352 OD1 ASP A 90 14.033 0.915 -12.552 1.00 51.10 O ATOM 1353 OD2 ASP A 90 13.177 2.709 -13.490 1.00 60.24 O ATOM 0 H ASP A 90 11.109 1.547 -13.355 1.00 60.32 H new ATOM 0 HA ASP A 90 11.489 0.051 -15.881 1.00 74.01 H new ATOM 0 HB2 ASP A 90 13.881 -0.149 -14.820 1.00 73.23 H new ATOM 0 HB3 ASP A 90 13.419 1.326 -15.645 1.00 73.23 H new ATOM 1358 N SER A 91 11.968 -2.200 -14.760 1.00 11.45 N ATOM 1359 CA SER A 91 11.879 -3.525 -14.158 1.00 11.23 C ATOM 1360 C SER A 91 12.693 -4.539 -14.955 1.00 73.42 C ATOM 1361 O SER A 91 13.062 -4.291 -16.103 1.00 44.10 O ATOM 1362 CB SER A 91 10.419 -3.975 -14.078 1.00 12.22 C ATOM 1363 OG SER A 91 9.811 -3.523 -12.880 1.00 54.44 O ATOM 0 H SER A 91 12.311 -2.195 -15.721 1.00 11.45 H new ATOM 0 HA SER A 91 12.289 -3.468 -13.150 1.00 11.23 H new ATOM 0 HB2 SER A 91 9.869 -3.590 -14.937 1.00 12.22 H new ATOM 0 HB3 SER A 91 10.367 -5.063 -14.128 1.00 12.22 H new ATOM 0 HG SER A 91 10.145 -2.628 -12.661 1.00 54.44 H new ATOM 1369 N TYR A 92 12.968 -5.683 -14.338 1.00 60.14 N ATOM 1370 CA TYR A 92 13.740 -6.736 -14.989 1.00 11.55 C ATOM 1371 C TYR A 92 12.843 -7.904 -15.383 1.00 74.54 C ATOM 1372 O TYR A 92 12.327 -8.623 -14.526 1.00 41.33 O ATOM 1373 CB TYR A 92 14.856 -7.224 -14.063 1.00 75.43 C ATOM 1374 CG TYR A 92 16.126 -6.410 -14.164 1.00 33.33 C ATOM 1375 CD1 TYR A 92 16.229 -5.169 -13.547 1.00 62.41 C ATOM 1376 CD2 TYR A 92 17.222 -6.881 -14.876 1.00 32.22 C ATOM 1377 CE1 TYR A 92 17.387 -4.422 -13.637 1.00 4.44 C ATOM 1378 CE2 TYR A 92 18.384 -6.141 -14.969 1.00 64.14 C ATOM 1379 CZ TYR A 92 18.462 -4.912 -14.348 1.00 43.13 C ATOM 1380 OH TYR A 92 19.618 -4.171 -14.440 1.00 42.14 O ATOM 0 H TYR A 92 12.668 -5.905 -13.389 1.00 60.14 H new ATOM 0 HA TYR A 92 14.183 -6.321 -15.894 1.00 11.55 H new ATOM 0 HB2 TYR A 92 14.499 -7.199 -13.033 1.00 75.43 H new ATOM 0 HB3 TYR A 92 15.082 -8.264 -14.297 1.00 75.43 H new ATOM 0 HD1 TYR A 92 15.390 -4.782 -12.988 1.00 62.41 H new ATOM 0 HD2 TYR A 92 17.164 -7.842 -15.365 1.00 32.22 H new ATOM 0 HE1 TYR A 92 17.450 -3.459 -13.153 1.00 4.44 H new ATOM 0 HE2 TYR A 92 19.227 -6.523 -15.525 1.00 64.14 H new ATOM 0 HH TYR A 92 20.278 -4.660 -14.975 1.00 42.14 H new ATOM 1390 N ILE A 93 12.662 -8.089 -16.687 1.00 14.32 N ATOM 1391 CA ILE A 93 11.829 -9.171 -17.196 1.00 72.04 C ATOM 1392 C ILE A 93 12.530 -10.518 -17.054 1.00 51.30 C ATOM 1393 O ILE A 93 13.522 -10.788 -17.731 1.00 21.03 O ATOM 1394 CB ILE A 93 11.462 -8.950 -18.676 1.00 35.13 C ATOM 1395 CG1 ILE A 93 10.696 -7.636 -18.843 1.00 34.12 C ATOM 1396 CG2 ILE A 93 10.639 -10.119 -19.198 1.00 2.15 C ATOM 1397 CD1 ILE A 93 10.963 -6.944 -20.161 1.00 72.43 C ATOM 0 H ILE A 93 13.081 -7.503 -17.409 1.00 14.32 H new ATOM 0 HA ILE A 93 10.917 -9.174 -16.600 1.00 72.04 H new ATOM 0 HB ILE A 93 12.382 -8.890 -19.258 1.00 35.13 H new ATOM 0 HG12 ILE A 93 9.628 -7.834 -18.756 1.00 34.12 H new ATOM 0 HG13 ILE A 93 10.963 -6.963 -18.028 1.00 34.12 H new ATOM 0 HG21 ILE A 93 10.387 -9.948 -20.245 1.00 2.15 H new ATOM 0 HG22 ILE A 93 11.217 -11.039 -19.109 1.00 2.15 H new ATOM 0 HG23 ILE A 93 9.723 -10.208 -18.615 1.00 2.15 H new ATOM 0 HD11 ILE A 93 10.387 -6.020 -20.210 1.00 72.43 H new ATOM 0 HD12 ILE A 93 12.025 -6.714 -20.243 1.00 72.43 H new ATOM 0 HD13 ILE A 93 10.669 -7.599 -20.982 1.00 72.43 H new ATOM 1409 N VAL A 94 12.006 -11.361 -16.170 1.00 11.11 N ATOM 1410 CA VAL A 94 12.579 -12.682 -15.941 1.00 11.12 C ATOM 1411 C VAL A 94 11.647 -13.780 -16.442 1.00 42.50 C ATOM 1412 O VAL A 94 10.479 -13.839 -16.058 1.00 32.12 O ATOM 1413 CB VAL A 94 12.872 -12.915 -14.447 1.00 31.13 C ATOM 1414 CG1 VAL A 94 13.627 -14.220 -14.248 1.00 22.30 C ATOM 1415 CG2 VAL A 94 13.652 -11.744 -13.868 1.00 64.53 C ATOM 0 H VAL A 94 11.186 -11.153 -15.601 1.00 11.11 H new ATOM 0 HA VAL A 94 13.515 -12.722 -16.498 1.00 11.12 H new ATOM 0 HB VAL A 94 11.923 -12.988 -13.916 1.00 31.13 H new ATOM 0 HG11 VAL A 94 13.825 -14.368 -13.186 1.00 22.30 H new ATOM 0 HG12 VAL A 94 13.027 -15.049 -14.624 1.00 22.30 H new ATOM 0 HG13 VAL A 94 14.571 -14.181 -14.791 1.00 22.30 H new ATOM 0 HG21 VAL A 94 13.850 -11.926 -12.812 1.00 64.53 H new ATOM 0 HG22 VAL A 94 14.597 -11.637 -14.401 1.00 64.53 H new ATOM 0 HG23 VAL A 94 13.069 -10.830 -13.976 1.00 64.53 H new ATOM 1425 N ILE A 95 12.172 -14.646 -17.301 1.00 72.54 N ATOM 1426 CA ILE A 95 11.387 -15.744 -17.853 1.00 64.04 C ATOM 1427 C ILE A 95 11.995 -17.093 -17.485 1.00 70.44 C ATOM 1428 O ILE A 95 13.187 -17.324 -17.684 1.00 31.22 O ATOM 1429 CB ILE A 95 11.279 -15.643 -19.386 1.00 62.44 C ATOM 1430 CG1 ILE A 95 10.630 -14.317 -19.788 1.00 23.13 C ATOM 1431 CG2 ILE A 95 10.485 -16.817 -19.939 1.00 54.15 C ATOM 1432 CD1 ILE A 95 9.199 -14.178 -19.318 1.00 22.12 C ATOM 0 H ILE A 95 13.137 -14.609 -17.630 1.00 72.54 H new ATOM 0 HA ILE A 95 10.389 -15.668 -17.421 1.00 64.04 H new ATOM 0 HB ILE A 95 12.283 -15.677 -19.809 1.00 62.44 H new ATOM 0 HG12 ILE A 95 11.219 -13.495 -19.381 1.00 23.13 H new ATOM 0 HG13 ILE A 95 10.658 -14.222 -20.874 1.00 23.13 H new ATOM 0 HG21 ILE A 95 10.417 -16.732 -21.024 1.00 54.15 H new ATOM 0 HG22 ILE A 95 10.986 -17.750 -19.679 1.00 54.15 H new ATOM 0 HG23 ILE A 95 9.482 -16.812 -19.511 1.00 54.15 H new ATOM 0 HD11 ILE A 95 8.803 -13.214 -19.638 1.00 22.12 H new ATOM 0 HD12 ILE A 95 8.596 -14.979 -19.746 1.00 22.12 H new ATOM 0 HD13 ILE A 95 9.166 -14.240 -18.230 1.00 22.12 H new ATOM 1444 N GLY A 96 11.165 -17.983 -16.949 1.00 24.41 N ATOM 1445 CA GLY A 96 11.638 -19.300 -16.563 1.00 5.00 C ATOM 1446 C GLY A 96 12.640 -19.246 -15.427 1.00 3.13 C ATOM 1447 O GLY A 96 13.350 -18.253 -15.261 1.00 73.43 O ATOM 0 H GLY A 96 10.174 -17.816 -16.775 1.00 24.41 H new ATOM 0 HA2 GLY A 96 10.789 -19.915 -16.265 1.00 5.00 H new ATOM 0 HA3 GLY A 96 12.096 -19.785 -17.425 1.00 5.00 H new ATOM 1451 N VAL A 97 12.698 -20.316 -14.639 1.00 43.55 N ATOM 1452 CA VAL A 97 13.620 -20.386 -13.512 1.00 12.32 C ATOM 1453 C VAL A 97 14.614 -21.529 -13.685 1.00 15.15 C ATOM 1454 O VAL A 97 14.262 -22.603 -14.170 1.00 72.04 O ATOM 1455 CB VAL A 97 12.866 -20.572 -12.182 1.00 11.03 C ATOM 1456 CG1 VAL A 97 11.853 -19.455 -11.981 1.00 20.11 C ATOM 1457 CG2 VAL A 97 12.187 -21.933 -12.141 1.00 13.53 C ATOM 0 H VAL A 97 12.117 -21.146 -14.761 1.00 43.55 H new ATOM 0 HA VAL A 97 14.161 -19.440 -13.486 1.00 12.32 H new ATOM 0 HB VAL A 97 13.587 -20.526 -11.366 1.00 11.03 H new ATOM 0 HG11 VAL A 97 11.330 -19.604 -11.036 1.00 20.11 H new ATOM 0 HG12 VAL A 97 12.369 -18.495 -11.963 1.00 20.11 H new ATOM 0 HG13 VAL A 97 11.133 -19.465 -12.799 1.00 20.11 H new ATOM 0 HG21 VAL A 97 11.659 -22.048 -11.194 1.00 13.53 H new ATOM 0 HG22 VAL A 97 11.477 -22.010 -12.964 1.00 13.53 H new ATOM 0 HG23 VAL A 97 12.938 -22.717 -12.235 1.00 13.53 H new ATOM 1467 N GLY A 98 15.858 -21.290 -13.282 1.00 62.02 N ATOM 1468 CA GLY A 98 16.884 -22.310 -13.399 1.00 42.41 C ATOM 1469 C GLY A 98 18.283 -21.726 -13.406 1.00 22.23 C ATOM 1470 O GLY A 98 18.499 -20.610 -12.935 1.00 32.12 O ATOM 0 H GLY A 98 16.174 -20.409 -12.877 1.00 62.02 H new ATOM 0 HA2 GLY A 98 16.791 -23.012 -12.570 1.00 42.41 H new ATOM 0 HA3 GLY A 98 16.726 -22.877 -14.316 1.00 42.41 H new ATOM 1474 N GLU A 99 19.236 -22.484 -13.940 1.00 3.14 N ATOM 1475 CA GLU A 99 20.622 -22.035 -14.002 1.00 63.34 C ATOM 1476 C GLU A 99 20.854 -21.154 -15.226 1.00 50.14 C ATOM 1477 O GLU A 99 21.638 -20.206 -15.184 1.00 3.21 O ATOM 1478 CB GLU A 99 21.569 -23.237 -14.039 1.00 3.43 C ATOM 1479 CG GLU A 99 21.955 -23.750 -12.661 1.00 52.44 C ATOM 1480 CD GLU A 99 22.475 -25.174 -12.694 1.00 1.52 C ATOM 1481 OE1 GLU A 99 22.364 -25.821 -13.756 1.00 71.00 O ATOM 1482 OE2 GLU A 99 22.993 -25.640 -11.658 1.00 30.30 O ATOM 0 H GLU A 99 19.074 -23.410 -14.335 1.00 3.14 H new ATOM 0 HA GLU A 99 20.827 -21.447 -13.108 1.00 63.34 H new ATOM 0 HB2 GLU A 99 21.097 -24.044 -14.599 1.00 3.43 H new ATOM 0 HB3 GLU A 99 22.473 -22.960 -14.581 1.00 3.43 H new ATOM 0 HG2 GLU A 99 22.718 -23.098 -12.235 1.00 52.44 H new ATOM 0 HG3 GLU A 99 21.088 -23.699 -12.002 1.00 52.44 H new ATOM 1489 N LYS A 100 20.166 -21.474 -16.317 1.00 61.02 N ATOM 1490 CA LYS A 100 20.294 -20.713 -17.554 1.00 43.40 C ATOM 1491 C LYS A 100 19.203 -19.652 -17.655 1.00 41.34 C ATOM 1492 O LYS A 100 18.715 -19.350 -18.745 1.00 2.12 O ATOM 1493 CB LYS A 100 20.224 -21.648 -18.763 1.00 24.51 C ATOM 1494 CG LYS A 100 21.208 -22.804 -18.695 1.00 42.34 C ATOM 1495 CD LYS A 100 22.622 -22.352 -19.023 1.00 33.22 C ATOM 1496 CE LYS A 100 22.809 -22.146 -20.518 1.00 54.40 C ATOM 1497 NZ LYS A 100 24.040 -21.365 -20.820 1.00 51.44 N ATOM 0 H LYS A 100 19.513 -22.256 -16.369 1.00 61.02 H new ATOM 0 HA LYS A 100 21.263 -20.214 -17.545 1.00 43.40 H new ATOM 0 HB2 LYS A 100 19.213 -22.047 -18.846 1.00 24.51 H new ATOM 0 HB3 LYS A 100 20.415 -21.072 -19.669 1.00 24.51 H new ATOM 0 HG2 LYS A 100 21.187 -23.243 -17.697 1.00 42.34 H new ATOM 0 HG3 LYS A 100 20.903 -23.584 -19.393 1.00 42.34 H new ATOM 0 HD2 LYS A 100 22.839 -21.423 -18.497 1.00 33.22 H new ATOM 0 HD3 LYS A 100 23.335 -23.095 -18.665 1.00 33.22 H new ATOM 0 HE2 LYS A 100 22.863 -23.115 -21.014 1.00 54.40 H new ATOM 0 HE3 LYS A 100 21.941 -21.627 -20.925 1.00 54.40 H new ATOM 0 HZ1 LYS A 100 24.132 -21.246 -21.849 1.00 51.44 H new ATOM 0 HZ2 LYS A 100 23.978 -20.431 -20.368 1.00 51.44 H new ATOM 0 HZ3 LYS A 100 24.871 -21.872 -20.455 1.00 51.44 H new ATOM 1511 N LYS A 101 18.825 -19.087 -16.513 1.00 71.55 N ATOM 1512 CA LYS A 101 17.795 -18.056 -16.473 1.00 74.52 C ATOM 1513 C LYS A 101 18.107 -16.936 -17.460 1.00 71.44 C ATOM 1514 O LYS A 101 19.225 -16.836 -17.966 1.00 63.20 O ATOM 1515 CB LYS A 101 17.671 -17.485 -15.059 1.00 43.41 C ATOM 1516 CG LYS A 101 16.707 -18.254 -14.174 1.00 33.43 C ATOM 1517 CD LYS A 101 16.889 -17.897 -12.708 1.00 72.21 C ATOM 1518 CE LYS A 101 15.552 -17.675 -12.018 1.00 54.33 C ATOM 1519 NZ LYS A 101 15.715 -17.025 -10.688 1.00 71.41 N ATOM 0 H LYS A 101 19.217 -19.326 -15.602 1.00 71.55 H new ATOM 0 HA LYS A 101 16.847 -18.513 -16.758 1.00 74.52 H new ATOM 0 HB2 LYS A 101 18.655 -17.480 -14.591 1.00 43.41 H new ATOM 0 HB3 LYS A 101 17.343 -16.447 -15.123 1.00 43.41 H new ATOM 0 HG2 LYS A 101 15.682 -18.038 -14.477 1.00 33.43 H new ATOM 0 HG3 LYS A 101 16.861 -19.324 -14.311 1.00 33.43 H new ATOM 0 HD2 LYS A 101 17.432 -18.696 -12.203 1.00 72.21 H new ATOM 0 HD3 LYS A 101 17.497 -16.996 -12.625 1.00 72.21 H new ATOM 0 HE2 LYS A 101 14.916 -17.055 -12.650 1.00 54.33 H new ATOM 0 HE3 LYS A 101 15.044 -18.631 -11.895 1.00 54.33 H new ATOM 0 HZ1 LYS A 101 14.781 -16.891 -10.250 1.00 71.41 H new ATOM 0 HZ2 LYS A 101 16.301 -17.628 -10.076 1.00 71.41 H new ATOM 0 HZ3 LYS A 101 16.177 -16.101 -10.807 1.00 71.41 H new ATOM 1533 N ILE A 102 17.113 -16.096 -17.729 1.00 21.40 N ATOM 1534 CA ILE A 102 17.284 -14.982 -18.653 1.00 11.02 C ATOM 1535 C ILE A 102 16.652 -13.709 -18.101 1.00 54.31 C ATOM 1536 O ILE A 102 15.584 -13.747 -17.488 1.00 4.13 O ATOM 1537 CB ILE A 102 16.668 -15.293 -20.030 1.00 0.43 C ATOM 1538 CG1 ILE A 102 15.145 -15.386 -19.922 1.00 54.40 C ATOM 1539 CG2 ILE A 102 17.245 -16.585 -20.589 1.00 12.34 C ATOM 1540 CD1 ILE A 102 14.463 -15.685 -21.239 1.00 31.33 C ATOM 0 H ILE A 102 16.181 -16.166 -17.320 1.00 21.40 H new ATOM 0 HA ILE A 102 18.357 -14.831 -18.770 1.00 11.02 H new ATOM 0 HB ILE A 102 16.916 -14.482 -20.714 1.00 0.43 H new ATOM 0 HG12 ILE A 102 14.887 -16.164 -19.203 1.00 54.40 H new ATOM 0 HG13 ILE A 102 14.759 -14.446 -19.527 1.00 54.40 H new ATOM 0 HG21 ILE A 102 16.800 -16.791 -21.562 1.00 12.34 H new ATOM 0 HG22 ILE A 102 18.325 -16.484 -20.698 1.00 12.34 H new ATOM 0 HG23 ILE A 102 17.024 -17.407 -19.908 1.00 12.34 H new ATOM 0 HD11 ILE A 102 13.385 -15.737 -21.087 1.00 31.33 H new ATOM 0 HD12 ILE A 102 14.691 -14.895 -21.954 1.00 31.33 H new ATOM 0 HD13 ILE A 102 14.821 -16.639 -21.626 1.00 31.33 H new ATOM 1552 N THR A 103 17.316 -12.579 -18.325 1.00 25.34 N ATOM 1553 CA THR A 103 16.820 -11.294 -17.850 1.00 45.31 C ATOM 1554 C THR A 103 17.062 -10.197 -18.881 1.00 12.11 C ATOM 1555 O THR A 103 17.979 -10.289 -19.698 1.00 32.43 O ATOM 1556 CB THR A 103 17.487 -10.890 -16.522 1.00 5.23 C ATOM 1557 OG1 THR A 103 18.891 -11.167 -16.574 1.00 63.32 O ATOM 1558 CG2 THR A 103 16.861 -11.636 -15.353 1.00 43.41 C ATOM 0 H THR A 103 18.199 -12.528 -18.833 1.00 25.34 H new ATOM 0 HA THR A 103 15.748 -11.409 -17.689 1.00 45.31 H new ATOM 0 HB THR A 103 17.333 -9.821 -16.375 1.00 5.23 H new ATOM 0 HG1 THR A 103 19.308 -10.906 -15.726 1.00 63.32 H new ATOM 0 HG21 THR A 103 17.348 -11.334 -14.426 1.00 43.41 H new ATOM 0 HG22 THR A 103 15.798 -11.400 -15.298 1.00 43.41 H new ATOM 0 HG23 THR A 103 16.987 -12.709 -15.497 1.00 43.41 H new ATOM 1566 N HIS A 104 16.234 -9.158 -18.838 1.00 12.24 N ATOM 1567 CA HIS A 104 16.357 -8.043 -19.769 1.00 43.54 C ATOM 1568 C HIS A 104 15.916 -6.737 -19.115 1.00 40.33 C ATOM 1569 O HIS A 104 14.816 -6.644 -18.570 1.00 75.15 O ATOM 1570 CB HIS A 104 15.524 -8.305 -21.025 1.00 5.54 C ATOM 1571 CG HIS A 104 15.614 -7.209 -22.042 1.00 71.32 C ATOM 1572 ND1 HIS A 104 16.746 -6.969 -22.791 1.00 43.43 N ATOM 1573 CD2 HIS A 104 14.703 -6.288 -22.434 1.00 75.53 C ATOM 1574 CE1 HIS A 104 16.528 -5.946 -23.599 1.00 23.12 C ATOM 1575 NE2 HIS A 104 15.295 -5.515 -23.402 1.00 62.42 N ATOM 0 H HIS A 104 15.471 -9.065 -18.168 1.00 12.24 H new ATOM 0 HA HIS A 104 17.406 -7.951 -20.050 1.00 43.54 H new ATOM 0 HB2 HIS A 104 15.852 -9.240 -21.480 1.00 5.54 H new ATOM 0 HB3 HIS A 104 14.481 -8.439 -20.738 1.00 5.54 H new ATOM 0 HD2 HIS A 104 13.697 -6.181 -22.056 1.00 75.53 H new ATOM 0 HE1 HIS A 104 17.237 -5.533 -24.301 1.00 23.12 H new ATOM 0 HE2 HIS A 104 14.854 -4.735 -23.890 1.00 62.42 H new ATOM 1583 N HIS A 105 16.782 -5.730 -19.172 1.00 50.32 N ATOM 1584 CA HIS A 105 16.481 -4.428 -18.586 1.00 73.34 C ATOM 1585 C HIS A 105 15.316 -3.762 -19.313 1.00 31.13 C ATOM 1586 O HIS A 105 15.176 -3.889 -20.529 1.00 64.31 O ATOM 1587 CB HIS A 105 17.713 -3.525 -18.638 1.00 51.40 C ATOM 1588 CG HIS A 105 18.049 -3.048 -20.018 1.00 15.45 C ATOM 1589 ND1 HIS A 105 18.645 -3.850 -20.967 1.00 22.11 N ATOM 1590 CD2 HIS A 105 17.866 -1.843 -20.606 1.00 40.44 C ATOM 1591 CE1 HIS A 105 18.817 -3.159 -22.080 1.00 12.14 C ATOM 1592 NE2 HIS A 105 18.352 -1.938 -21.887 1.00 51.43 N ATOM 0 H HIS A 105 17.697 -5.790 -19.618 1.00 50.32 H new ATOM 0 HA HIS A 105 16.197 -4.582 -17.545 1.00 73.34 H new ATOM 0 HB2 HIS A 105 17.547 -2.661 -17.994 1.00 51.40 H new ATOM 0 HB3 HIS A 105 18.567 -4.066 -18.232 1.00 51.40 H new ATOM 0 HD2 HIS A 105 17.421 -0.970 -20.153 1.00 40.44 H new ATOM 0 HE1 HIS A 105 19.262 -3.529 -22.992 1.00 12.14 H new ATOM 0 HE2 HIS A 105 18.354 -1.187 -22.577 1.00 51.43 H new ATOM 1600 N TRP A 106 14.483 -3.054 -18.559 1.00 41.41 N ATOM 1601 CA TRP A 106 13.330 -2.368 -19.132 1.00 33.45 C ATOM 1602 C TRP A 106 13.049 -1.065 -18.393 1.00 2.44 C ATOM 1603 O TRP A 106 13.110 -1.011 -17.164 1.00 11.42 O ATOM 1604 CB TRP A 106 12.097 -3.273 -19.082 1.00 1.42 C ATOM 1605 CG TRP A 106 10.867 -2.631 -19.648 1.00 74.24 C ATOM 1606 CD1 TRP A 106 9.653 -2.503 -19.036 1.00 32.43 C ATOM 1607 CD2 TRP A 106 10.731 -2.032 -20.942 1.00 34.13 C ATOM 1608 NE1 TRP A 106 8.770 -1.861 -19.870 1.00 43.13 N ATOM 1609 CE2 TRP A 106 9.407 -1.561 -21.045 1.00 43.52 C ATOM 1610 CE3 TRP A 106 11.598 -1.846 -22.021 1.00 61.23 C ATOM 1611 CZ2 TRP A 106 8.934 -0.917 -22.186 1.00 33.34 C ATOM 1612 CZ3 TRP A 106 11.126 -1.208 -23.153 1.00 4.15 C ATOM 1613 CH2 TRP A 106 9.805 -0.749 -23.228 1.00 14.05 C ATOM 0 H TRP A 106 14.584 -2.940 -17.550 1.00 41.41 H new ATOM 0 HA TRP A 106 13.558 -2.132 -20.171 1.00 33.45 H new ATOM 0 HB2 TRP A 106 12.306 -4.190 -19.633 1.00 1.42 H new ATOM 0 HB3 TRP A 106 11.906 -3.558 -18.048 1.00 1.42 H new ATOM 0 HD1 TRP A 106 9.421 -2.855 -18.042 1.00 32.43 H new ATOM 0 HE1 TRP A 106 7.798 -1.643 -19.650 1.00 43.13 H new ATOM 0 HE3 TRP A 106 12.619 -2.194 -21.972 1.00 61.23 H new ATOM 0 HZ2 TRP A 106 7.916 -0.563 -22.246 1.00 33.34 H new ATOM 0 HZ3 TRP A 106 11.787 -1.061 -23.994 1.00 4.15 H new ATOM 0 HH2 TRP A 106 9.467 -0.253 -24.126 1.00 14.05 H new ATOM 1624 N HIS A 107 12.742 -0.015 -19.148 1.00 75.24 N ATOM 1625 CA HIS A 107 12.451 1.289 -18.564 1.00 3.22 C ATOM 1626 C HIS A 107 11.293 1.965 -19.292 1.00 4.32 C ATOM 1627 O HIS A 107 11.159 1.845 -20.510 1.00 14.44 O ATOM 1628 CB HIS A 107 13.692 2.182 -18.615 1.00 33.35 C ATOM 1629 CG HIS A 107 14.233 2.378 -19.997 1.00 75.54 C ATOM 1630 ND1 HIS A 107 13.960 3.492 -20.761 1.00 55.54 N ATOM 1631 CD2 HIS A 107 15.036 1.593 -20.753 1.00 4.21 C ATOM 1632 CE1 HIS A 107 14.571 3.385 -21.928 1.00 34.24 C ATOM 1633 NE2 HIS A 107 15.231 2.241 -21.948 1.00 5.33 N ATOM 0 H HIS A 107 12.688 -0.042 -20.166 1.00 75.24 H new ATOM 0 HA HIS A 107 12.163 1.138 -17.524 1.00 3.22 H new ATOM 0 HB2 HIS A 107 13.447 3.155 -18.188 1.00 33.35 H new ATOM 0 HB3 HIS A 107 14.469 1.745 -17.988 1.00 33.35 H new ATOM 0 HD2 HIS A 107 15.447 0.635 -20.469 1.00 4.21 H new ATOM 0 HE1 HIS A 107 14.537 4.109 -22.728 1.00 34.24 H new ATOM 0 HE2 HIS A 107 15.794 1.895 -22.725 1.00 5.33 H new ATOM 1641 N ARG A 108 10.460 2.675 -18.538 1.00 22.22 N ATOM 1642 CA ARG A 108 9.313 3.368 -19.111 1.00 74.51 C ATOM 1643 C ARG A 108 9.642 4.833 -19.382 1.00 34.31 C ATOM 1644 O ARG A 108 9.948 5.591 -18.462 1.00 23.32 O ATOM 1645 CB ARG A 108 8.109 3.269 -18.172 1.00 1.22 C ATOM 1646 CG ARG A 108 6.770 3.316 -18.890 1.00 65.11 C ATOM 1647 CD ARG A 108 6.368 4.743 -19.225 1.00 54.52 C ATOM 1648 NE ARG A 108 6.148 5.546 -18.025 1.00 40.31 N ATOM 1649 CZ ARG A 108 5.584 6.749 -18.038 1.00 43.05 C ATOM 1650 NH1 ARG A 108 5.185 7.285 -19.184 1.00 20.14 N ATOM 1651 NH2 ARG A 108 5.419 7.418 -16.905 1.00 14.04 N ATOM 0 H ARG A 108 10.558 2.785 -17.529 1.00 22.22 H new ATOM 0 HA ARG A 108 9.067 2.888 -20.058 1.00 74.51 H new ATOM 0 HB2 ARG A 108 8.176 2.340 -17.606 1.00 1.22 H new ATOM 0 HB3 ARG A 108 8.154 4.085 -17.451 1.00 1.22 H new ATOM 0 HG2 ARG A 108 6.826 2.728 -19.806 1.00 65.11 H new ATOM 0 HG3 ARG A 108 6.004 2.858 -18.264 1.00 65.11 H new ATOM 0 HD2 ARG A 108 7.146 5.205 -19.833 1.00 54.52 H new ATOM 0 HD3 ARG A 108 5.458 4.732 -19.825 1.00 54.52 H new ATOM 0 HE ARG A 108 6.444 5.162 -17.127 1.00 40.31 H new ATOM 0 HH11 ARG A 108 5.311 6.773 -20.057 1.00 20.14 H new ATOM 0 HH12 ARG A 108 4.752 8.209 -19.192 1.00 20.14 H new ATOM 0 HH21 ARG A 108 5.725 7.009 -16.022 1.00 14.04 H new ATOM 0 HH22 ARG A 108 4.986 8.341 -16.916 1.00 14.04 H new