USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 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= -0.608 USER MOD Single : A 21 THR OG1 : rot -39:sc= 1.06 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0296 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= -0.455 X(o=-0.46,f=-0.004) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -0.0469 (180deg=-0.711) USER MOD Single : A 50 GLN : amide:sc= -0.86 X(o=-0.86,f=-1) USER MOD Single : A 51 MET CE :methyl 156:sc= -0.513 (180deg=-1.8) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00741 X(o=-0.0074,f=-0.025) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 59 THR OG1 : rot 100:sc= -0.813 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 68 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.1) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00557 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 77 ASN : amide:sc=-0.00559 K(o=-0.0056,f=-1.2) USER MOD Single : A 78 SER OG : rot 87:sc= 0.643 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -165:sc=-0.00154 (180deg=-0.324) USER MOD Single : A 81 MET CE :methyl 177:sc= 0 (180deg=-0.00826) USER MOD Single : A 91 SER OG : rot 70:sc= -1.29 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+ -145:sc= -1.27 (180deg=-2.57!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.8!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.389 -24.917 -23.482 1.00 20.12 N ATOM 257 CA ALA A 17 16.971 -23.666 -23.952 1.00 61.44 C ATOM 258 C ALA A 17 15.886 -22.663 -24.329 1.00 60.43 C ATOM 259 O ALA A 17 14.811 -23.042 -24.795 1.00 63.25 O ATOM 260 CB ALA A 17 17.889 -23.925 -25.138 1.00 52.52 C ATOM 0 HA ALA A 17 17.557 -23.238 -23.139 1.00 61.44 H new ATOM 0 HB1 ALA A 17 18.317 -22.983 -25.479 1.00 52.52 H new ATOM 0 HB2 ALA A 17 18.690 -24.600 -24.837 1.00 52.52 H new ATOM 0 HB3 ALA A 17 17.318 -24.378 -25.948 1.00 52.52 H new ATOM 266 N PHE A 18 16.174 -21.382 -24.124 1.00 33.42 N ATOM 267 CA PHE A 18 15.222 -20.325 -24.442 1.00 14.55 C ATOM 268 C PHE A 18 15.820 -19.335 -25.437 1.00 4.34 C ATOM 269 O PHE A 18 17.040 -19.193 -25.532 1.00 40.22 O ATOM 270 CB PHE A 18 14.798 -19.591 -23.167 1.00 41.14 C ATOM 271 CG PHE A 18 13.931 -20.417 -22.260 1.00 42.43 C ATOM 272 CD1 PHE A 18 14.490 -21.374 -21.429 1.00 12.22 C ATOM 273 CD2 PHE A 18 12.558 -20.236 -22.240 1.00 14.25 C ATOM 274 CE1 PHE A 18 13.695 -22.135 -20.593 1.00 21.15 C ATOM 275 CE2 PHE A 18 11.758 -20.994 -21.405 1.00 50.32 C ATOM 276 CZ PHE A 18 12.327 -21.945 -20.582 1.00 22.44 C ATOM 0 H PHE A 18 17.059 -21.051 -23.739 1.00 33.42 H new ATOM 0 HA PHE A 18 14.345 -20.785 -24.897 1.00 14.55 H new ATOM 0 HB2 PHE A 18 15.690 -19.282 -22.622 1.00 41.14 H new ATOM 0 HB3 PHE A 18 14.261 -18.683 -23.441 1.00 41.14 H new ATOM 0 HD1 PHE A 18 15.559 -21.527 -21.434 1.00 12.22 H new ATOM 0 HD2 PHE A 18 12.107 -19.495 -22.884 1.00 14.25 H new ATOM 0 HE1 PHE A 18 14.143 -22.877 -19.949 1.00 21.15 H new ATOM 0 HE2 PHE A 18 10.689 -20.842 -21.397 1.00 50.32 H new ATOM 0 HZ PHE A 18 11.704 -22.539 -19.931 1.00 22.44 H new ATOM 286 N THR A 19 14.953 -18.652 -26.177 1.00 42.54 N ATOM 287 CA THR A 19 15.395 -17.674 -27.165 1.00 34.54 C ATOM 288 C THR A 19 14.275 -16.700 -27.513 1.00 31.43 C ATOM 289 O THR A 19 13.111 -17.088 -27.616 1.00 32.03 O ATOM 290 CB THR A 19 15.882 -18.360 -28.455 1.00 25.34 C ATOM 291 OG1 THR A 19 16.477 -19.625 -28.142 1.00 44.23 O ATOM 292 CG2 THR A 19 16.891 -17.486 -29.184 1.00 42.11 C ATOM 0 H THR A 19 13.941 -18.757 -26.112 1.00 42.54 H new ATOM 0 HA THR A 19 16.224 -17.126 -26.718 1.00 34.54 H new ATOM 0 HB THR A 19 15.021 -18.515 -29.106 1.00 25.34 H new ATOM 0 HG1 THR A 19 16.783 -20.056 -28.967 1.00 44.23 H new ATOM 0 HG21 THR A 19 17.221 -17.991 -30.092 1.00 42.11 H new ATOM 0 HG22 THR A 19 16.427 -16.535 -29.446 1.00 42.11 H new ATOM 0 HG23 THR A 19 17.750 -17.305 -28.537 1.00 42.11 H new ATOM 300 N PHE A 20 14.634 -15.434 -27.694 1.00 12.32 N ATOM 301 CA PHE A 20 13.659 -14.404 -28.032 1.00 14.43 C ATOM 302 C PHE A 20 13.204 -14.540 -29.482 1.00 34.12 C ATOM 303 O PHE A 20 14.022 -14.686 -30.391 1.00 14.12 O ATOM 304 CB PHE A 20 14.253 -13.013 -27.801 1.00 4.12 C ATOM 305 CG PHE A 20 14.419 -12.665 -26.349 1.00 71.10 C ATOM 306 CD1 PHE A 20 13.314 -12.546 -25.521 1.00 42.44 C ATOM 307 CD2 PHE A 20 15.679 -12.457 -25.812 1.00 62.22 C ATOM 308 CE1 PHE A 20 13.463 -12.226 -24.185 1.00 31.12 C ATOM 309 CE2 PHE A 20 15.834 -12.138 -24.476 1.00 41.14 C ATOM 310 CZ PHE A 20 14.725 -12.021 -23.662 1.00 54.01 C ATOM 0 H PHE A 20 15.593 -15.096 -27.612 1.00 12.32 H new ATOM 0 HA PHE A 20 12.792 -14.534 -27.384 1.00 14.43 H new ATOM 0 HB2 PHE A 20 15.224 -12.955 -28.293 1.00 4.12 H new ATOM 0 HB3 PHE A 20 13.611 -12.270 -28.273 1.00 4.12 H new ATOM 0 HD1 PHE A 20 12.325 -12.705 -25.925 1.00 42.44 H new ATOM 0 HD2 PHE A 20 16.550 -12.545 -26.444 1.00 62.22 H new ATOM 0 HE1 PHE A 20 12.594 -12.136 -23.550 1.00 31.12 H new ATOM 0 HE2 PHE A 20 16.822 -11.980 -24.069 1.00 41.14 H new ATOM 0 HZ PHE A 20 14.844 -11.770 -22.618 1.00 54.01 H new ATOM 320 N THR A 21 11.892 -14.492 -29.691 1.00 74.51 N ATOM 321 CA THR A 21 11.326 -14.612 -31.029 1.00 43.41 C ATOM 322 C THR A 21 10.532 -13.366 -31.403 1.00 50.54 C ATOM 323 O THR A 21 10.563 -12.918 -32.550 1.00 13.21 O ATOM 324 CB THR A 21 10.410 -15.844 -31.144 1.00 70.42 C ATOM 325 OG1 THR A 21 9.269 -15.688 -30.293 1.00 51.23 O ATOM 326 CG2 THR A 21 11.160 -17.113 -30.767 1.00 31.10 C ATOM 0 H THR A 21 11.201 -14.371 -28.950 1.00 74.51 H new ATOM 0 HA THR A 21 12.164 -14.727 -31.717 1.00 43.41 H new ATOM 0 HB THR A 21 10.081 -15.929 -32.180 1.00 70.42 H new ATOM 0 HG1 THR A 21 9.545 -15.277 -29.448 1.00 51.23 H new ATOM 0 HG21 THR A 21 10.493 -17.970 -30.856 1.00 31.10 H new ATOM 0 HG22 THR A 21 12.011 -17.245 -31.435 1.00 31.10 H new ATOM 0 HG23 THR A 21 11.515 -17.034 -29.739 1.00 31.10 H new ATOM 334 N LYS A 22 9.821 -12.808 -30.429 1.00 71.22 N ATOM 335 CA LYS A 22 9.019 -11.611 -30.655 1.00 20.51 C ATOM 336 C LYS A 22 9.593 -10.420 -29.895 1.00 24.33 C ATOM 337 O LYS A 22 9.446 -10.320 -28.676 1.00 72.23 O ATOM 338 CB LYS A 22 7.571 -11.854 -30.224 1.00 73.45 C ATOM 339 CG LYS A 22 6.581 -10.883 -30.845 1.00 31.53 C ATOM 340 CD LYS A 22 5.240 -10.923 -30.132 1.00 35.31 C ATOM 341 CE LYS A 22 4.317 -9.817 -30.619 1.00 15.31 C ATOM 342 NZ LYS A 22 3.865 -10.047 -32.019 1.00 44.13 N ATOM 0 H LYS A 22 9.784 -13.166 -29.475 1.00 71.22 H new ATOM 0 HA LYS A 22 9.042 -11.385 -31.721 1.00 20.51 H new ATOM 0 HB2 LYS A 22 7.287 -12.871 -30.493 1.00 73.45 H new ATOM 0 HB3 LYS A 22 7.507 -11.781 -29.138 1.00 73.45 H new ATOM 0 HG2 LYS A 22 6.986 -9.872 -30.803 1.00 31.53 H new ATOM 0 HG3 LYS A 22 6.442 -11.127 -31.898 1.00 31.53 H new ATOM 0 HD2 LYS A 22 4.768 -11.891 -30.297 1.00 35.31 H new ATOM 0 HD3 LYS A 22 5.395 -10.823 -29.058 1.00 35.31 H new ATOM 0 HE2 LYS A 22 3.449 -9.754 -29.963 1.00 15.31 H new ATOM 0 HE3 LYS A 22 4.834 -8.859 -30.557 1.00 15.31 H new ATOM 0 HZ1 LYS A 22 3.238 -9.271 -32.313 1.00 44.13 H new ATOM 0 HZ2 LYS A 22 4.691 -10.082 -32.649 1.00 44.13 H new ATOM 0 HZ3 LYS A 22 3.349 -10.949 -32.074 1.00 44.13 H new ATOM 356 N ILE A 23 10.247 -9.520 -30.621 1.00 53.13 N ATOM 357 CA ILE A 23 10.840 -8.335 -30.015 1.00 2.31 C ATOM 358 C ILE A 23 9.788 -7.504 -29.288 1.00 3.12 C ATOM 359 O ILE A 23 8.708 -7.229 -29.811 1.00 2.13 O ATOM 360 CB ILE A 23 11.537 -7.453 -31.068 1.00 1.33 C ATOM 361 CG1 ILE A 23 12.591 -8.262 -31.826 1.00 74.24 C ATOM 362 CG2 ILE A 23 12.170 -6.238 -30.406 1.00 1.13 C ATOM 363 CD1 ILE A 23 13.303 -7.471 -32.901 1.00 14.31 C ATOM 0 H ILE A 23 10.380 -9.589 -31.630 1.00 53.13 H new ATOM 0 HA ILE A 23 11.582 -8.685 -29.298 1.00 2.31 H new ATOM 0 HB ILE A 23 10.790 -7.106 -31.782 1.00 1.33 H new ATOM 0 HG12 ILE A 23 13.327 -8.639 -31.116 1.00 74.24 H new ATOM 0 HG13 ILE A 23 12.113 -9.130 -32.281 1.00 74.24 H new ATOM 0 HG21 ILE A 23 12.659 -5.625 -31.163 1.00 1.13 H new ATOM 0 HG22 ILE A 23 11.398 -5.652 -29.907 1.00 1.13 H new ATOM 0 HG23 ILE A 23 12.907 -6.566 -29.673 1.00 1.13 H new ATOM 0 HD11 ILE A 23 14.036 -8.108 -33.396 1.00 14.31 H new ATOM 0 HD12 ILE A 23 12.577 -7.116 -33.633 1.00 14.31 H new ATOM 0 HD13 ILE A 23 13.810 -6.618 -32.450 1.00 14.31 H new ATOM 375 N PRO A 24 10.110 -7.092 -28.052 1.00 51.15 N ATOM 376 CA PRO A 24 9.207 -6.284 -27.227 1.00 71.13 C ATOM 377 C PRO A 24 9.044 -4.866 -27.764 1.00 21.12 C ATOM 378 O PRO A 24 10.013 -4.239 -28.192 1.00 33.41 O ATOM 379 CB PRO A 24 9.898 -6.263 -25.862 1.00 31.14 C ATOM 380 CG PRO A 24 11.340 -6.481 -26.164 1.00 24.15 C ATOM 381 CD PRO A 24 11.380 -7.383 -27.366 1.00 40.54 C ATOM 0 HA PRO A 24 8.198 -6.696 -27.203 1.00 71.13 H new ATOM 0 HB2 PRO A 24 9.740 -5.312 -25.353 1.00 31.14 H new ATOM 0 HB3 PRO A 24 9.508 -7.044 -25.209 1.00 31.14 H new ATOM 0 HG2 PRO A 24 11.843 -5.536 -26.369 1.00 24.15 H new ATOM 0 HG3 PRO A 24 11.851 -6.937 -25.317 1.00 24.15 H new ATOM 0 HD2 PRO A 24 12.239 -7.168 -28.002 1.00 40.54 H new ATOM 0 HD3 PRO A 24 11.451 -8.432 -27.079 1.00 40.54 H new ATOM 389 N ALA A 25 7.813 -4.366 -27.737 1.00 41.01 N ATOM 390 CA ALA A 25 7.524 -3.022 -28.221 1.00 1.44 C ATOM 391 C ALA A 25 6.276 -2.454 -27.553 1.00 30.53 C ATOM 392 O ALA A 25 5.187 -3.013 -27.678 1.00 13.14 O ATOM 393 CB ALA A 25 7.359 -3.029 -29.733 1.00 54.21 C ATOM 0 H ALA A 25 7.000 -4.872 -27.385 1.00 41.01 H new ATOM 0 HA ALA A 25 8.367 -2.381 -27.962 1.00 1.44 H new ATOM 0 HB1 ALA A 25 7.144 -2.018 -30.080 1.00 54.21 H new ATOM 0 HB2 ALA A 25 8.279 -3.384 -30.198 1.00 54.21 H new ATOM 0 HB3 ALA A 25 6.536 -3.690 -30.006 1.00 54.21 H new ATOM 399 N GLU A 26 6.443 -1.343 -26.843 1.00 43.22 N ATOM 400 CA GLU A 26 5.329 -0.702 -26.155 1.00 10.22 C ATOM 401 C GLU A 26 4.347 -0.098 -27.154 1.00 41.54 C ATOM 402 O GLU A 26 4.723 0.269 -28.268 1.00 41.14 O ATOM 403 CB GLU A 26 5.843 0.384 -25.207 1.00 53.45 C ATOM 404 CG GLU A 26 4.942 0.621 -24.007 1.00 32.10 C ATOM 405 CD GLU A 26 5.428 1.756 -23.127 1.00 40.44 C ATOM 406 OE1 GLU A 26 5.570 2.886 -23.642 1.00 33.41 O ATOM 407 OE2 GLU A 26 5.667 1.516 -21.926 1.00 10.24 O ATOM 0 H GLU A 26 7.339 -0.868 -26.729 1.00 43.22 H new ATOM 0 HA GLU A 26 4.807 -1.463 -25.575 1.00 10.22 H new ATOM 0 HB2 GLU A 26 6.837 0.107 -24.855 1.00 53.45 H new ATOM 0 HB3 GLU A 26 5.950 1.317 -25.761 1.00 53.45 H new ATOM 0 HG2 GLU A 26 3.932 0.842 -24.354 1.00 32.10 H new ATOM 0 HG3 GLU A 26 4.883 -0.293 -23.416 1.00 32.10 H new ATOM 414 N THR A 27 3.085 0.003 -26.749 1.00 0.15 N ATOM 415 CA THR A 27 2.048 0.560 -27.608 1.00 31.22 C ATOM 416 C THR A 27 1.360 1.746 -26.941 1.00 72.45 C ATOM 417 O THR A 27 1.711 2.134 -25.827 1.00 11.24 O ATOM 418 CB THR A 27 0.988 -0.499 -27.967 1.00 40.32 C ATOM 419 OG1 THR A 27 0.116 0.007 -28.984 1.00 61.24 O ATOM 420 CG2 THR A 27 0.174 -0.888 -26.742 1.00 5.50 C ATOM 0 H THR A 27 2.756 -0.294 -25.830 1.00 0.15 H new ATOM 0 HA THR A 27 2.540 0.895 -28.521 1.00 31.22 H new ATOM 0 HB THR A 27 1.503 -1.385 -28.337 1.00 40.32 H new ATOM 0 HG1 THR A 27 -0.554 -0.672 -29.208 1.00 61.24 H new ATOM 0 HG21 THR A 27 -0.568 -1.637 -27.021 1.00 5.50 H new ATOM 0 HG22 THR A 27 0.837 -1.299 -25.981 1.00 5.50 H new ATOM 0 HG23 THR A 27 -0.331 -0.007 -26.346 1.00 5.50 H new ATOM 428 N LEU A 28 0.378 2.317 -27.630 1.00 12.01 N ATOM 429 CA LEU A 28 -0.362 3.459 -27.104 1.00 4.24 C ATOM 430 C LEU A 28 -1.015 3.117 -25.769 1.00 20.54 C ATOM 431 O LEU A 28 -1.201 3.985 -24.916 1.00 33.14 O ATOM 432 CB LEU A 28 -1.427 3.908 -28.106 1.00 21.34 C ATOM 433 CG LEU A 28 -2.499 4.856 -27.567 1.00 25.25 C ATOM 434 CD1 LEU A 28 -1.865 6.138 -27.049 1.00 54.11 C ATOM 435 CD2 LEU A 28 -3.528 5.164 -28.643 1.00 54.25 C ATOM 0 H LEU A 28 0.076 2.008 -28.554 1.00 12.01 H new ATOM 0 HA LEU A 28 0.343 4.274 -26.944 1.00 4.24 H new ATOM 0 HB2 LEU A 28 -0.927 4.395 -28.943 1.00 21.34 H new ATOM 0 HB3 LEU A 28 -1.921 3.021 -28.503 1.00 21.34 H new ATOM 0 HG LEU A 28 -3.008 4.365 -26.737 1.00 25.25 H new ATOM 0 HD11 LEU A 28 -2.643 6.801 -26.669 1.00 54.11 H new ATOM 0 HD12 LEU A 28 -1.167 5.900 -26.246 1.00 54.11 H new ATOM 0 HD13 LEU A 28 -1.330 6.633 -27.860 1.00 54.11 H new ATOM 0 HD21 LEU A 28 -4.283 5.840 -28.242 1.00 54.25 H new ATOM 0 HD22 LEU A 28 -3.035 5.635 -29.494 1.00 54.25 H new ATOM 0 HD23 LEU A 28 -4.005 4.239 -28.966 1.00 54.25 H new ATOM 447 N HIS A 29 -1.359 1.845 -25.593 1.00 74.43 N ATOM 448 CA HIS A 29 -1.991 1.386 -24.361 1.00 3.52 C ATOM 449 C HIS A 29 -1.002 1.418 -23.199 1.00 43.54 C ATOM 450 O HIS A 29 -1.390 1.595 -22.045 1.00 63.24 O ATOM 451 CB HIS A 29 -2.539 -0.029 -24.540 1.00 35.32 C ATOM 452 CG HIS A 29 -3.706 -0.336 -23.653 1.00 15.05 C ATOM 453 ND1 HIS A 29 -5.015 -0.121 -24.029 1.00 54.14 N ATOM 454 CD2 HIS A 29 -3.756 -0.846 -22.400 1.00 12.13 C ATOM 455 CE1 HIS A 29 -5.820 -0.484 -23.046 1.00 44.31 C ATOM 456 NE2 HIS A 29 -5.080 -0.928 -22.046 1.00 15.34 N ATOM 0 H HIS A 29 -1.211 1.114 -26.288 1.00 74.43 H new ATOM 0 HA HIS A 29 -2.816 2.060 -24.132 1.00 3.52 H new ATOM 0 HB2 HIS A 29 -2.837 -0.165 -25.579 1.00 35.32 H new ATOM 0 HB3 HIS A 29 -1.743 -0.746 -24.340 1.00 35.32 H new ATOM 0 HD2 HIS A 29 -2.911 -1.135 -21.792 1.00 12.13 H new ATOM 0 HE1 HIS A 29 -6.898 -0.427 -23.058 1.00 44.31 H new ATOM 0 HE2 HIS A 29 -5.435 -1.276 -21.155 1.00 15.34 H new ATOM 464 N GLY A 30 0.279 1.246 -23.514 1.00 33.34 N ATOM 465 CA GLY A 30 1.303 1.257 -22.485 1.00 52.05 C ATOM 466 C GLY A 30 1.587 -0.126 -21.935 1.00 64.53 C ATOM 467 O GLY A 30 1.594 -0.331 -20.721 1.00 20.40 O ATOM 0 H GLY A 30 0.625 1.099 -24.462 1.00 33.34 H new ATOM 0 HA2 GLY A 30 2.221 1.677 -22.895 1.00 52.05 H new ATOM 0 HA3 GLY A 30 0.989 1.911 -21.671 1.00 52.05 H new ATOM 471 N THR A 31 1.822 -1.081 -22.830 1.00 60.05 N ATOM 472 CA THR A 31 2.106 -2.453 -22.428 1.00 52.24 C ATOM 473 C THR A 31 3.013 -3.145 -23.439 1.00 23.33 C ATOM 474 O THR A 31 2.922 -2.899 -24.641 1.00 42.14 O ATOM 475 CB THR A 31 0.811 -3.272 -22.273 1.00 13.02 C ATOM 476 OG1 THR A 31 0.145 -3.380 -23.536 1.00 32.32 O ATOM 477 CG2 THR A 31 -0.119 -2.626 -21.257 1.00 55.01 C ATOM 0 H THR A 31 1.821 -0.929 -23.839 1.00 60.05 H new ATOM 0 HA THR A 31 2.613 -2.402 -21.464 1.00 52.24 H new ATOM 0 HB THR A 31 1.077 -4.267 -21.917 1.00 13.02 H new ATOM 0 HG1 THR A 31 -0.676 -3.904 -23.429 1.00 32.32 H new ATOM 0 HG21 THR A 31 -1.027 -3.222 -21.164 1.00 55.01 H new ATOM 0 HG22 THR A 31 0.380 -2.572 -20.289 1.00 55.01 H new ATOM 0 HG23 THR A 31 -0.377 -1.620 -21.588 1.00 55.01 H new ATOM 485 N VAL A 32 3.889 -4.014 -22.943 1.00 0.22 N ATOM 486 CA VAL A 32 4.813 -4.744 -23.803 1.00 13.30 C ATOM 487 C VAL A 32 4.575 -6.247 -23.714 1.00 1.01 C ATOM 488 O VAL A 32 4.154 -6.760 -22.677 1.00 31.52 O ATOM 489 CB VAL A 32 6.278 -4.444 -23.435 1.00 40.13 C ATOM 490 CG1 VAL A 32 6.616 -5.026 -22.071 1.00 63.24 C ATOM 491 CG2 VAL A 32 7.216 -4.986 -24.503 1.00 44.30 C ATOM 0 H VAL A 32 3.978 -4.229 -21.950 1.00 0.22 H new ATOM 0 HA VAL A 32 4.627 -4.410 -24.824 1.00 13.30 H new ATOM 0 HB VAL A 32 6.408 -3.363 -23.384 1.00 40.13 H new ATOM 0 HG11 VAL A 32 7.655 -4.804 -21.828 1.00 63.24 H new ATOM 0 HG12 VAL A 32 5.965 -4.586 -21.316 1.00 63.24 H new ATOM 0 HG13 VAL A 32 6.471 -6.106 -22.090 1.00 63.24 H new ATOM 0 HG21 VAL A 32 8.247 -4.765 -24.227 1.00 44.30 H new ATOM 0 HG22 VAL A 32 7.086 -6.065 -24.588 1.00 44.30 H new ATOM 0 HG23 VAL A 32 6.988 -4.517 -25.460 1.00 44.30 H new ATOM 501 N THR A 33 4.849 -6.950 -24.809 1.00 14.22 N ATOM 502 CA THR A 33 4.664 -8.395 -24.855 1.00 43.24 C ATOM 503 C THR A 33 5.965 -9.104 -25.214 1.00 3.32 C ATOM 504 O THR A 33 6.737 -8.624 -26.044 1.00 61.03 O ATOM 505 CB THR A 33 3.580 -8.790 -25.875 1.00 74.11 C ATOM 506 OG1 THR A 33 4.081 -8.636 -27.208 1.00 15.23 O ATOM 507 CG2 THR A 33 2.332 -7.939 -25.695 1.00 53.02 C ATOM 0 H THR A 33 5.200 -6.542 -25.675 1.00 14.22 H new ATOM 0 HA THR A 33 4.346 -8.705 -23.859 1.00 43.24 H new ATOM 0 HB THR A 33 3.316 -9.834 -25.705 1.00 74.11 H new ATOM 0 HG1 THR A 33 3.386 -8.891 -27.850 1.00 15.23 H new ATOM 0 HG21 THR A 33 1.580 -8.236 -26.426 1.00 53.02 H new ATOM 0 HG22 THR A 33 1.936 -8.082 -24.689 1.00 53.02 H new ATOM 0 HG23 THR A 33 2.584 -6.888 -25.840 1.00 53.02 H new ATOM 515 N VAL A 34 6.203 -10.249 -24.583 1.00 31.42 N ATOM 516 CA VAL A 34 7.411 -11.026 -24.836 1.00 53.44 C ATOM 517 C VAL A 34 7.072 -12.467 -25.199 1.00 34.11 C ATOM 518 O VAL A 34 6.312 -13.132 -24.495 1.00 4.22 O ATOM 519 CB VAL A 34 8.347 -11.022 -23.614 1.00 22.04 C ATOM 520 CG1 VAL A 34 7.651 -11.631 -22.406 1.00 1.32 C ATOM 521 CG2 VAL A 34 9.636 -11.767 -23.928 1.00 11.32 C ATOM 0 H VAL A 34 5.575 -10.660 -23.892 1.00 31.42 H new ATOM 0 HA VAL A 34 7.921 -10.554 -25.676 1.00 53.44 H new ATOM 0 HB VAL A 34 8.600 -9.989 -23.375 1.00 22.04 H new ATOM 0 HG11 VAL A 34 8.328 -11.620 -21.552 1.00 1.32 H new ATOM 0 HG12 VAL A 34 6.759 -11.051 -22.170 1.00 1.32 H new ATOM 0 HG13 VAL A 34 7.367 -12.659 -22.630 1.00 1.32 H new ATOM 0 HG21 VAL A 34 10.286 -11.754 -23.053 1.00 11.32 H new ATOM 0 HG22 VAL A 34 9.405 -12.799 -24.193 1.00 11.32 H new ATOM 0 HG23 VAL A 34 10.142 -11.283 -24.763 1.00 11.32 H new ATOM 531 N GLU A 35 7.640 -12.944 -26.302 1.00 4.31 N ATOM 532 CA GLU A 35 7.397 -14.307 -26.758 1.00 23.32 C ATOM 533 C GLU A 35 8.710 -15.013 -27.087 1.00 34.12 C ATOM 534 O GLU A 35 9.547 -14.483 -27.817 1.00 53.33 O ATOM 535 CB GLU A 35 6.486 -14.303 -27.987 1.00 11.21 C ATOM 536 CG GLU A 35 5.669 -15.575 -28.144 1.00 4.42 C ATOM 537 CD GLU A 35 5.296 -15.854 -29.587 1.00 12.24 C ATOM 538 OE1 GLU A 35 4.232 -16.466 -29.815 1.00 74.14 O ATOM 539 OE2 GLU A 35 6.067 -15.461 -30.487 1.00 0.35 O ATOM 0 H GLU A 35 8.271 -12.407 -26.896 1.00 4.31 H new ATOM 0 HA GLU A 35 6.904 -14.850 -25.951 1.00 23.32 H new ATOM 0 HB2 GLU A 35 5.808 -13.452 -27.924 1.00 11.21 H new ATOM 0 HB3 GLU A 35 7.095 -14.160 -28.880 1.00 11.21 H new ATOM 0 HG2 GLU A 35 6.237 -16.418 -27.750 1.00 4.42 H new ATOM 0 HG3 GLU A 35 4.761 -15.495 -27.547 1.00 4.42 H new ATOM 546 N VAL A 36 8.882 -16.213 -26.542 1.00 3.05 N ATOM 547 CA VAL A 36 10.092 -16.992 -26.776 1.00 22.23 C ATOM 548 C VAL A 36 9.755 -18.432 -27.146 1.00 64.13 C ATOM 549 O VAL A 36 8.603 -18.853 -27.054 1.00 54.14 O ATOM 550 CB VAL A 36 11.008 -16.993 -25.537 1.00 73.20 C ATOM 551 CG1 VAL A 36 11.575 -15.603 -25.291 1.00 32.41 C ATOM 552 CG2 VAL A 36 10.251 -17.493 -24.316 1.00 34.01 C ATOM 0 H VAL A 36 8.199 -16.667 -25.936 1.00 3.05 H new ATOM 0 HA VAL A 36 10.617 -16.519 -27.606 1.00 22.23 H new ATOM 0 HB VAL A 36 11.841 -17.671 -25.723 1.00 73.20 H new ATOM 0 HG11 VAL A 36 12.219 -15.623 -24.412 1.00 32.41 H new ATOM 0 HG12 VAL A 36 12.155 -15.288 -26.159 1.00 32.41 H new ATOM 0 HG13 VAL A 36 10.758 -14.901 -25.126 1.00 32.41 H new ATOM 0 HG21 VAL A 36 10.913 -17.487 -23.450 1.00 34.01 H new ATOM 0 HG22 VAL A 36 9.398 -16.842 -24.125 1.00 34.01 H new ATOM 0 HG23 VAL A 36 9.899 -18.509 -24.497 1.00 34.01 H new ATOM 562 N GLN A 37 10.770 -19.182 -27.565 1.00 34.43 N ATOM 563 CA GLN A 37 10.580 -20.575 -27.952 1.00 31.44 C ATOM 564 C GLN A 37 10.963 -21.514 -26.812 1.00 54.10 C ATOM 565 O GLN A 37 12.082 -21.464 -26.303 1.00 5.12 O ATOM 566 CB GLN A 37 11.410 -20.899 -29.195 1.00 50.21 C ATOM 567 CG GLN A 37 12.907 -20.737 -28.986 1.00 60.41 C ATOM 568 CD GLN A 37 13.683 -20.749 -30.289 1.00 14.44 C ATOM 569 OE1 GLN A 37 14.600 -21.550 -30.472 1.00 12.45 O ATOM 570 NE2 GLN A 37 13.318 -19.857 -31.203 1.00 32.31 N ATOM 0 H GLN A 37 11.731 -18.849 -27.645 1.00 34.43 H new ATOM 0 HA GLN A 37 9.524 -20.721 -28.180 1.00 31.44 H new ATOM 0 HB2 GLN A 37 11.203 -21.924 -29.503 1.00 50.21 H new ATOM 0 HB3 GLN A 37 11.093 -20.251 -30.012 1.00 50.21 H new ATOM 0 HG2 GLN A 37 13.098 -19.800 -28.463 1.00 60.41 H new ATOM 0 HG3 GLN A 37 13.269 -21.540 -28.344 1.00 60.41 H new ATOM 0 HE21 GLN A 37 12.552 -19.212 -31.009 1.00 32.31 H new ATOM 0 HE22 GLN A 37 13.804 -19.817 -32.099 1.00 32.31 H new ATOM 579 N TYR A 38 10.026 -22.368 -26.416 1.00 72.43 N ATOM 580 CA TYR A 38 10.264 -23.317 -25.335 1.00 63.44 C ATOM 581 C TYR A 38 10.351 -24.743 -25.871 1.00 72.24 C ATOM 582 O TYR A 38 9.334 -25.366 -26.177 1.00 24.11 O ATOM 583 CB TYR A 38 9.153 -23.221 -24.289 1.00 11.30 C ATOM 584 CG TYR A 38 9.329 -24.174 -23.129 1.00 1.25 C ATOM 585 CD1 TYR A 38 8.391 -25.166 -22.871 1.00 21.13 C ATOM 586 CD2 TYR A 38 10.433 -24.082 -22.290 1.00 14.25 C ATOM 587 CE1 TYR A 38 8.547 -26.039 -21.811 1.00 44.23 C ATOM 588 CE2 TYR A 38 10.598 -24.951 -21.229 1.00 32.13 C ATOM 589 CZ TYR A 38 9.653 -25.928 -20.994 1.00 15.34 C ATOM 590 OH TYR A 38 9.813 -26.795 -19.937 1.00 52.40 O ATOM 0 H TYR A 38 9.094 -22.423 -26.827 1.00 72.43 H new ATOM 0 HA TYR A 38 11.216 -23.065 -24.868 1.00 63.44 H new ATOM 0 HB2 TYR A 38 9.112 -22.201 -23.907 1.00 11.30 H new ATOM 0 HB3 TYR A 38 8.195 -23.420 -24.769 1.00 11.30 H new ATOM 0 HD1 TYR A 38 7.525 -25.256 -23.510 1.00 21.13 H new ATOM 0 HD2 TYR A 38 11.175 -23.318 -22.471 1.00 14.25 H new ATOM 0 HE1 TYR A 38 7.808 -26.803 -21.623 1.00 44.23 H new ATOM 0 HE2 TYR A 38 11.462 -24.866 -20.587 1.00 32.13 H new ATOM 0 HH TYR A 38 10.644 -26.583 -19.462 1.00 52.40 H new ATOM 600 N ALA A 39 11.573 -25.254 -25.982 1.00 51.41 N ATOM 601 CA ALA A 39 11.794 -26.606 -26.478 1.00 72.15 C ATOM 602 C ALA A 39 11.951 -27.594 -25.328 1.00 35.51 C ATOM 603 O ALA A 39 12.809 -28.475 -25.366 1.00 32.05 O ATOM 604 CB ALA A 39 13.019 -26.644 -27.380 1.00 10.01 C ATOM 0 H ALA A 39 12.425 -24.751 -25.735 1.00 51.41 H new ATOM 0 HA ALA A 39 10.920 -26.901 -27.058 1.00 72.15 H new ATOM 0 HB1 ALA A 39 13.172 -27.660 -27.743 1.00 10.01 H new ATOM 0 HB2 ALA A 39 12.868 -25.975 -28.227 1.00 10.01 H new ATOM 0 HB3 ALA A 39 13.896 -26.324 -26.817 1.00 10.01 H new ATOM 675 N LYS A 46 6.673 -24.923 -16.588 1.00 55.10 N ATOM 676 CA LYS A 46 6.730 -23.572 -16.043 1.00 41.31 C ATOM 677 C LYS A 46 7.624 -22.678 -16.897 1.00 70.22 C ATOM 678 O LYS A 46 8.725 -23.072 -17.284 1.00 15.13 O ATOM 679 CB LYS A 46 7.248 -23.602 -14.603 1.00 53.13 C ATOM 680 CG LYS A 46 6.147 -23.730 -13.564 1.00 5.51 C ATOM 681 CD LYS A 46 5.752 -25.180 -13.346 1.00 73.31 C ATOM 682 CE LYS A 46 6.570 -25.821 -12.235 1.00 42.45 C ATOM 683 NZ LYS A 46 7.826 -26.431 -12.753 1.00 70.02 N ATOM 0 HA LYS A 46 5.720 -23.161 -16.051 1.00 41.31 H new ATOM 0 HB2 LYS A 46 7.940 -24.437 -14.492 1.00 53.13 H new ATOM 0 HB3 LYS A 46 7.814 -22.691 -14.410 1.00 53.13 H new ATOM 0 HG2 LYS A 46 6.483 -23.298 -12.621 1.00 5.51 H new ATOM 0 HG3 LYS A 46 5.276 -23.159 -13.884 1.00 5.51 H new ATOM 0 HD2 LYS A 46 4.692 -25.236 -13.097 1.00 73.31 H new ATOM 0 HD3 LYS A 46 5.892 -25.739 -14.271 1.00 73.31 H new ATOM 0 HE2 LYS A 46 6.814 -25.070 -11.484 1.00 42.45 H new ATOM 0 HE3 LYS A 46 5.972 -26.586 -11.739 1.00 42.45 H new ATOM 0 HZ1 LYS A 46 8.162 -27.154 -12.085 1.00 70.02 H new ATOM 0 HZ2 LYS A 46 7.643 -26.871 -13.677 1.00 70.02 H new ATOM 0 HZ3 LYS A 46 8.552 -25.694 -12.859 1.00 70.02 H new ATOM 697 N VAL A 47 7.144 -21.473 -17.187 1.00 44.12 N ATOM 698 CA VAL A 47 7.902 -20.522 -17.992 1.00 72.13 C ATOM 699 C VAL A 47 8.320 -19.312 -17.165 1.00 1.12 C ATOM 700 O VAL A 47 7.588 -18.329 -17.042 1.00 63.54 O ATOM 701 CB VAL A 47 7.087 -20.042 -19.208 1.00 63.12 C ATOM 702 CG1 VAL A 47 7.917 -19.103 -20.070 1.00 63.12 C ATOM 703 CG2 VAL A 47 6.594 -21.230 -20.021 1.00 44.31 C ATOM 0 H VAL A 47 6.234 -21.132 -16.877 1.00 44.12 H new ATOM 0 HA VAL A 47 8.793 -21.043 -18.343 1.00 72.13 H new ATOM 0 HB VAL A 47 6.218 -19.492 -18.847 1.00 63.12 H new ATOM 0 HG11 VAL A 47 7.325 -18.774 -20.924 1.00 63.12 H new ATOM 0 HG12 VAL A 47 8.216 -18.236 -19.480 1.00 63.12 H new ATOM 0 HG13 VAL A 47 8.806 -19.625 -20.424 1.00 63.12 H new ATOM 0 HG21 VAL A 47 6.020 -20.873 -20.876 1.00 44.31 H new ATOM 0 HG22 VAL A 47 7.448 -21.809 -20.373 1.00 44.31 H new ATOM 0 HG23 VAL A 47 5.961 -21.860 -19.397 1.00 44.31 H new ATOM 713 N PRO A 48 9.526 -19.382 -16.582 1.00 43.24 N ATOM 714 CA PRO A 48 10.071 -18.299 -15.758 1.00 20.24 C ATOM 715 C PRO A 48 10.432 -17.068 -16.582 1.00 13.13 C ATOM 716 O PRO A 48 11.126 -17.168 -17.593 1.00 10.22 O ATOM 717 CB PRO A 48 11.329 -18.919 -15.144 1.00 71.30 C ATOM 718 CG PRO A 48 11.730 -19.988 -16.101 1.00 42.24 C ATOM 719 CD PRO A 48 10.452 -20.523 -16.685 1.00 14.24 C ATOM 0 HA PRO A 48 9.350 -17.946 -15.021 1.00 20.24 H new ATOM 0 HB2 PRO A 48 12.119 -18.177 -15.026 1.00 71.30 H new ATOM 0 HB3 PRO A 48 11.126 -19.329 -14.155 1.00 71.30 H new ATOM 0 HG2 PRO A 48 12.379 -19.590 -16.881 1.00 42.24 H new ATOM 0 HG3 PRO A 48 12.287 -20.776 -15.594 1.00 42.24 H new ATOM 0 HD2 PRO A 48 10.585 -20.841 -17.719 1.00 14.24 H new ATOM 0 HD3 PRO A 48 10.088 -21.388 -16.130 1.00 14.24 H new ATOM 727 N ALA A 49 9.956 -15.907 -16.142 1.00 60.43 N ATOM 728 CA ALA A 49 10.233 -14.656 -16.837 1.00 75.21 C ATOM 729 C ALA A 49 10.080 -13.463 -15.900 1.00 55.34 C ATOM 730 O ALA A 49 9.127 -13.390 -15.124 1.00 61.05 O ATOM 731 CB ALA A 49 9.313 -14.507 -18.040 1.00 44.54 C ATOM 0 H ALA A 49 9.377 -15.807 -15.308 1.00 60.43 H new ATOM 0 HA ALA A 49 11.266 -14.682 -17.184 1.00 75.21 H new ATOM 0 HB1 ALA A 49 9.530 -13.569 -18.550 1.00 44.54 H new ATOM 0 HB2 ALA A 49 9.474 -15.339 -18.726 1.00 44.54 H new ATOM 0 HB3 ALA A 49 8.275 -14.507 -17.707 1.00 44.54 H new ATOM 737 N GLN A 50 11.024 -12.530 -15.978 1.00 75.34 N ATOM 738 CA GLN A 50 10.993 -11.340 -15.136 1.00 73.42 C ATOM 739 C GLN A 50 12.179 -10.430 -15.437 1.00 13.12 C ATOM 740 O GLN A 50 13.013 -10.741 -16.287 1.00 35.13 O ATOM 741 CB GLN A 50 11.000 -11.736 -13.658 1.00 54.54 C ATOM 742 CG GLN A 50 12.016 -12.815 -13.322 1.00 10.31 C ATOM 743 CD GLN A 50 12.668 -12.601 -11.970 1.00 33.41 C ATOM 744 OE1 GLN A 50 12.352 -13.291 -11.000 1.00 21.11 O ATOM 745 NE2 GLN A 50 13.583 -11.642 -11.898 1.00 62.24 N ATOM 0 H GLN A 50 11.819 -12.575 -16.615 1.00 75.34 H new ATOM 0 HA GLN A 50 10.075 -10.794 -15.354 1.00 73.42 H new ATOM 0 HB2 GLN A 50 11.208 -10.852 -13.055 1.00 54.54 H new ATOM 0 HB3 GLN A 50 10.006 -12.085 -13.379 1.00 54.54 H new ATOM 0 HG2 GLN A 50 11.525 -13.788 -13.334 1.00 10.31 H new ATOM 0 HG3 GLN A 50 12.786 -12.837 -14.093 1.00 10.31 H new ATOM 0 HE21 GLN A 50 13.814 -11.094 -12.727 1.00 62.24 H new ATOM 0 HE22 GLN A 50 14.055 -11.453 -11.014 1.00 62.24 H new ATOM 754 N MET A 51 12.247 -9.304 -14.734 1.00 51.11 N ATOM 755 CA MET A 51 13.331 -8.348 -14.926 1.00 65.13 C ATOM 756 C MET A 51 13.857 -7.846 -13.585 1.00 45.25 C ATOM 757 O MET A 51 13.205 -8.004 -12.554 1.00 3.21 O ATOM 758 CB MET A 51 12.855 -7.168 -15.775 1.00 42.21 C ATOM 759 CG MET A 51 11.742 -6.362 -15.125 1.00 72.24 C ATOM 760 SD MET A 51 10.432 -5.925 -16.286 1.00 25.45 S ATOM 761 CE MET A 51 9.897 -7.549 -16.819 1.00 20.33 C ATOM 0 H MET A 51 11.564 -9.032 -14.027 1.00 51.11 H new ATOM 0 HA MET A 51 14.142 -8.856 -15.447 1.00 65.13 H new ATOM 0 HB2 MET A 51 13.701 -6.510 -15.974 1.00 42.21 H new ATOM 0 HB3 MET A 51 12.508 -7.541 -16.738 1.00 42.21 H new ATOM 0 HG2 MET A 51 11.316 -6.936 -14.302 1.00 72.24 H new ATOM 0 HG3 MET A 51 12.161 -5.452 -14.696 1.00 72.24 H new ATOM 0 HE1 MET A 51 8.869 -7.494 -17.178 1.00 20.33 H new ATOM 0 HE2 MET A 51 10.544 -7.899 -17.623 1.00 20.33 H new ATOM 0 HE3 MET A 51 9.952 -8.244 -15.981 1.00 20.33 H new ATOM 771 N ALA A 52 15.040 -7.241 -13.608 1.00 45.31 N ATOM 772 CA ALA A 52 15.652 -6.713 -12.395 1.00 11.12 C ATOM 773 C ALA A 52 16.717 -5.672 -12.724 1.00 73.34 C ATOM 774 O ALA A 52 17.541 -5.874 -13.616 1.00 24.01 O ATOM 775 CB ALA A 52 16.253 -7.843 -11.572 1.00 34.01 C ATOM 0 H ALA A 52 15.594 -7.104 -14.454 1.00 45.31 H new ATOM 0 HA ALA A 52 14.873 -6.225 -11.809 1.00 11.12 H new ATOM 0 HB1 ALA A 52 16.707 -7.434 -10.669 1.00 34.01 H new ATOM 0 HB2 ALA A 52 15.470 -8.549 -11.297 1.00 34.01 H new ATOM 0 HB3 ALA A 52 17.014 -8.356 -12.160 1.00 34.01 H new ATOM 781 N VAL A 53 16.693 -4.558 -12.000 1.00 52.11 N ATOM 782 CA VAL A 53 17.657 -3.485 -12.216 1.00 34.35 C ATOM 783 C VAL A 53 19.029 -3.862 -11.669 1.00 42.03 C ATOM 784 O VAL A 53 20.057 -3.508 -12.247 1.00 1.31 O ATOM 785 CB VAL A 53 17.195 -2.174 -11.553 1.00 34.14 C ATOM 786 CG1 VAL A 53 18.137 -1.035 -11.908 1.00 44.43 C ATOM 787 CG2 VAL A 53 15.767 -1.844 -11.963 1.00 65.10 C ATOM 0 H VAL A 53 16.017 -4.375 -11.259 1.00 52.11 H new ATOM 0 HA VAL A 53 17.727 -3.334 -13.293 1.00 34.35 H new ATOM 0 HB VAL A 53 17.217 -2.307 -10.471 1.00 34.14 H new ATOM 0 HG11 VAL A 53 17.794 -0.117 -11.430 1.00 44.43 H new ATOM 0 HG12 VAL A 53 19.142 -1.272 -11.559 1.00 44.43 H new ATOM 0 HG13 VAL A 53 18.151 -0.898 -12.989 1.00 44.43 H new ATOM 0 HG21 VAL A 53 15.457 -0.915 -11.485 1.00 65.10 H new ATOM 0 HG22 VAL A 53 15.716 -1.730 -13.046 1.00 65.10 H new ATOM 0 HG23 VAL A 53 15.103 -2.651 -11.652 1.00 65.10 H new ATOM 797 N ASP A 54 19.038 -4.583 -10.553 1.00 42.54 N ATOM 798 CA ASP A 54 20.285 -5.010 -9.929 1.00 40.31 C ATOM 799 C ASP A 54 20.487 -6.513 -10.092 1.00 43.13 C ATOM 800 O ASP A 54 19.593 -7.223 -10.552 1.00 44.11 O ATOM 801 CB ASP A 54 20.290 -4.640 -8.445 1.00 20.10 C ATOM 802 CG ASP A 54 19.669 -3.282 -8.185 1.00 34.05 C ATOM 803 OD1 ASP A 54 20.314 -2.262 -8.506 1.00 22.21 O ATOM 804 OD2 ASP A 54 18.536 -3.239 -7.660 1.00 43.11 O ATOM 0 H ASP A 54 18.196 -4.884 -10.062 1.00 42.54 H new ATOM 0 HA ASP A 54 21.107 -4.495 -10.427 1.00 40.31 H new ATOM 0 HB2 ASP A 54 19.746 -5.399 -7.883 1.00 20.10 H new ATOM 0 HB3 ASP A 54 21.316 -4.644 -8.076 1.00 20.10 H new ATOM 809 N MET A 55 21.668 -6.991 -9.713 1.00 42.55 N ATOM 810 CA MET A 55 21.987 -8.410 -9.818 1.00 3.31 C ATOM 811 C MET A 55 21.940 -9.080 -8.448 1.00 43.33 C ATOM 812 O MET A 55 21.526 -10.232 -8.326 1.00 14.23 O ATOM 813 CB MET A 55 23.371 -8.599 -10.444 1.00 15.43 C ATOM 814 CG MET A 55 23.441 -8.173 -11.901 1.00 62.24 C ATOM 815 SD MET A 55 24.945 -8.741 -12.719 1.00 34.54 S ATOM 816 CE MET A 55 25.626 -7.188 -13.293 1.00 53.31 C ATOM 0 H MET A 55 22.419 -6.417 -9.331 1.00 42.55 H new ATOM 0 HA MET A 55 21.240 -8.879 -10.458 1.00 3.31 H new ATOM 0 HB2 MET A 55 24.101 -8.027 -9.871 1.00 15.43 H new ATOM 0 HB3 MET A 55 23.656 -9.648 -10.366 1.00 15.43 H new ATOM 0 HG2 MET A 55 22.573 -8.564 -12.432 1.00 62.24 H new ATOM 0 HG3 MET A 55 23.388 -7.086 -11.961 1.00 62.24 H new ATOM 0 HE1 MET A 55 26.562 -7.374 -13.821 1.00 53.31 H new ATOM 0 HE2 MET A 55 24.918 -6.708 -13.968 1.00 53.31 H new ATOM 0 HE3 MET A 55 25.814 -6.536 -12.440 1.00 53.31 H new ATOM 826 N GLN A 56 22.368 -8.350 -7.423 1.00 21.53 N ATOM 827 CA GLN A 56 22.374 -8.876 -6.062 1.00 43.35 C ATOM 828 C GLN A 56 21.006 -9.437 -5.690 1.00 21.05 C ATOM 829 O GLN A 56 20.880 -10.609 -5.331 1.00 52.54 O ATOM 830 CB GLN A 56 22.777 -7.781 -5.072 1.00 72.35 C ATOM 831 CG GLN A 56 24.136 -7.166 -5.365 1.00 72.21 C ATOM 832 CD GLN A 56 25.278 -8.133 -5.122 1.00 44.52 C ATOM 833 OE1 GLN A 56 25.412 -8.692 -4.034 1.00 24.43 O ATOM 834 NE2 GLN A 56 26.110 -8.334 -6.138 1.00 11.22 N ATOM 0 H GLN A 56 22.715 -7.394 -7.508 1.00 21.53 H new ATOM 0 HA GLN A 56 23.103 -9.685 -6.014 1.00 43.35 H new ATOM 0 HB2 GLN A 56 22.022 -6.995 -5.085 1.00 72.35 H new ATOM 0 HB3 GLN A 56 22.786 -8.198 -4.065 1.00 72.35 H new ATOM 0 HG2 GLN A 56 24.163 -6.831 -6.402 1.00 72.21 H new ATOM 0 HG3 GLN A 56 24.273 -6.283 -4.741 1.00 72.21 H new ATOM 0 HE21 GLN A 56 25.961 -7.849 -7.023 1.00 11.22 H new ATOM 0 HE22 GLN A 56 26.898 -8.973 -6.033 1.00 11.22 H new ATOM 843 N THR A 57 19.982 -8.593 -5.775 1.00 62.34 N ATOM 844 CA THR A 57 18.623 -9.004 -5.446 1.00 24.43 C ATOM 845 C THR A 57 17.972 -9.738 -6.613 1.00 5.13 C ATOM 846 O THR A 57 17.317 -10.764 -6.426 1.00 54.24 O ATOM 847 CB THR A 57 17.749 -7.796 -5.061 1.00 74.23 C ATOM 848 OG1 THR A 57 17.674 -6.877 -6.157 1.00 5.24 O ATOM 849 CG2 THR A 57 18.310 -7.090 -3.837 1.00 12.44 C ATOM 0 H THR A 57 20.069 -7.620 -6.069 1.00 62.34 H new ATOM 0 HA THR A 57 18.695 -9.678 -4.592 1.00 24.43 H new ATOM 0 HB THR A 57 16.749 -8.160 -4.823 1.00 74.23 H new ATOM 0 HG1 THR A 57 17.115 -6.112 -5.905 1.00 5.24 H new ATOM 0 HG21 THR A 57 17.676 -6.240 -3.584 1.00 12.44 H new ATOM 0 HG22 THR A 57 18.338 -7.784 -2.997 1.00 12.44 H new ATOM 0 HG23 THR A 57 19.319 -6.738 -4.051 1.00 12.44 H new ATOM 857 N LEU A 58 18.158 -9.207 -7.816 1.00 53.02 N ATOM 858 CA LEU A 58 17.589 -9.813 -9.015 1.00 50.44 C ATOM 859 C LEU A 58 16.092 -10.052 -8.847 1.00 50.00 C ATOM 860 O LEU A 58 15.550 -11.041 -9.342 1.00 23.24 O ATOM 861 CB LEU A 58 18.296 -11.132 -9.328 1.00 70.54 C ATOM 862 CG LEU A 58 18.425 -11.490 -10.809 1.00 72.15 C ATOM 863 CD1 LEU A 58 19.711 -10.920 -11.386 1.00 62.04 C ATOM 864 CD2 LEU A 58 18.375 -12.999 -11.000 1.00 24.10 C ATOM 0 H LEU A 58 18.698 -8.359 -7.987 1.00 53.02 H new ATOM 0 HA LEU A 58 17.736 -9.123 -9.846 1.00 50.44 H new ATOM 0 HB2 LEU A 58 19.296 -11.097 -8.895 1.00 70.54 H new ATOM 0 HB3 LEU A 58 17.759 -11.937 -8.826 1.00 70.54 H new ATOM 0 HG LEU A 58 17.584 -11.049 -11.344 1.00 72.15 H new ATOM 0 HD11 LEU A 58 19.785 -11.185 -12.441 1.00 62.04 H new ATOM 0 HD12 LEU A 58 19.706 -9.835 -11.284 1.00 62.04 H new ATOM 0 HD13 LEU A 58 20.565 -11.331 -10.848 1.00 62.04 H new ATOM 0 HD21 LEU A 58 18.468 -13.235 -12.060 1.00 24.10 H new ATOM 0 HD22 LEU A 58 19.195 -13.463 -10.452 1.00 24.10 H new ATOM 0 HD23 LEU A 58 17.426 -13.382 -10.625 1.00 24.10 H new ATOM 876 N THR A 59 15.427 -9.138 -8.147 1.00 33.21 N ATOM 877 CA THR A 59 13.992 -9.249 -7.914 1.00 24.24 C ATOM 878 C THR A 59 13.203 -8.905 -9.171 1.00 75.31 C ATOM 879 O THR A 59 13.571 -8.018 -9.941 1.00 54.02 O ATOM 880 CB THR A 59 13.537 -8.327 -6.767 1.00 31.33 C ATOM 881 OG1 THR A 59 12.108 -8.337 -6.668 1.00 64.41 O ATOM 882 CG2 THR A 59 14.025 -6.904 -6.990 1.00 52.13 C ATOM 0 H THR A 59 15.859 -8.313 -7.732 1.00 33.21 H new ATOM 0 HA THR A 59 13.795 -10.285 -7.638 1.00 24.24 H new ATOM 0 HB THR A 59 13.968 -8.700 -5.838 1.00 31.33 H new ATOM 0 HG1 THR A 59 11.834 -8.937 -5.943 1.00 64.41 H new ATOM 0 HG21 THR A 59 13.691 -6.272 -6.167 1.00 52.13 H new ATOM 0 HG22 THR A 59 15.114 -6.896 -7.035 1.00 52.13 H new ATOM 0 HG23 THR A 59 13.620 -6.523 -7.928 1.00 52.13 H new ATOM 890 N PRO A 60 12.090 -9.622 -9.386 1.00 75.23 N ATOM 891 CA PRO A 60 11.223 -9.409 -10.549 1.00 50.23 C ATOM 892 C PRO A 60 10.473 -8.083 -10.478 1.00 31.11 C ATOM 893 O PRO A 60 9.727 -7.830 -9.531 1.00 64.24 O ATOM 894 CB PRO A 60 10.242 -10.582 -10.481 1.00 65.32 C ATOM 895 CG PRO A 60 10.210 -10.966 -9.042 1.00 64.01 C ATOM 896 CD PRO A 60 11.591 -10.696 -8.511 1.00 11.14 C ATOM 0 HA PRO A 60 11.792 -9.365 -11.478 1.00 50.23 H new ATOM 0 HB2 PRO A 60 9.253 -10.292 -10.835 1.00 65.32 H new ATOM 0 HB3 PRO A 60 10.573 -11.412 -11.105 1.00 65.32 H new ATOM 0 HG2 PRO A 60 9.463 -10.386 -8.500 1.00 64.01 H new ATOM 0 HG3 PRO A 60 9.945 -12.017 -8.924 1.00 64.01 H new ATOM 0 HD2 PRO A 60 11.566 -10.384 -7.467 1.00 11.14 H new ATOM 0 HD3 PRO A 60 12.222 -11.583 -8.564 1.00 11.14 H new ATOM 904 N VAL A 61 10.675 -7.239 -11.485 1.00 74.20 N ATOM 905 CA VAL A 61 10.016 -5.940 -11.537 1.00 55.23 C ATOM 906 C VAL A 61 8.857 -5.951 -12.528 1.00 52.30 C ATOM 907 O VAL A 61 8.962 -6.514 -13.616 1.00 62.35 O ATOM 908 CB VAL A 61 11.003 -4.825 -11.931 1.00 72.12 C ATOM 909 CG1 VAL A 61 10.364 -3.457 -11.750 1.00 13.23 C ATOM 910 CG2 VAL A 61 12.284 -4.937 -11.118 1.00 15.51 C ATOM 0 H VAL A 61 11.290 -7.432 -12.276 1.00 74.20 H new ATOM 0 HA VAL A 61 9.633 -5.739 -10.536 1.00 55.23 H new ATOM 0 HB VAL A 61 11.257 -4.943 -12.984 1.00 72.12 H new ATOM 0 HG11 VAL A 61 11.076 -2.682 -12.033 1.00 13.23 H new ATOM 0 HG12 VAL A 61 9.478 -3.383 -12.380 1.00 13.23 H new ATOM 0 HG13 VAL A 61 10.079 -3.324 -10.706 1.00 13.23 H new ATOM 0 HG21 VAL A 61 12.970 -4.142 -11.409 1.00 15.51 H new ATOM 0 HG22 VAL A 61 12.051 -4.845 -10.057 1.00 15.51 H new ATOM 0 HG23 VAL A 61 12.750 -5.905 -11.305 1.00 15.51 H new ATOM 920 N GLY A 62 7.750 -5.323 -12.143 1.00 12.22 N ATOM 921 CA GLY A 62 6.586 -5.272 -13.009 1.00 4.13 C ATOM 922 C GLY A 62 6.182 -6.641 -13.517 1.00 72.42 C ATOM 923 O GLY A 62 6.175 -7.614 -12.763 1.00 23.04 O ATOM 0 H GLY A 62 7.638 -4.849 -11.247 1.00 12.22 H new ATOM 0 HA2 GLY A 62 5.752 -4.829 -12.465 1.00 4.13 H new ATOM 0 HA3 GLY A 62 6.796 -4.620 -13.857 1.00 4.13 H new ATOM 927 N ARG A 63 5.842 -6.718 -14.800 1.00 12.13 N ATOM 928 CA ARG A 63 5.431 -7.978 -15.407 1.00 52.12 C ATOM 929 C ARG A 63 4.218 -8.559 -14.686 1.00 61.12 C ATOM 930 O ARG A 63 4.146 -9.764 -14.443 1.00 33.42 O ATOM 931 CB ARG A 63 6.584 -8.982 -15.379 1.00 22.52 C ATOM 932 CG ARG A 63 6.357 -10.196 -16.265 1.00 34.43 C ATOM 933 CD ARG A 63 6.920 -11.460 -15.634 1.00 34.15 C ATOM 934 NE ARG A 63 6.155 -12.647 -16.008 1.00 14.53 N ATOM 935 CZ ARG A 63 6.136 -13.152 -17.236 1.00 51.42 C ATOM 936 NH1 ARG A 63 6.837 -12.577 -18.204 1.00 10.24 N ATOM 937 NH2 ARG A 63 5.415 -14.234 -17.499 1.00 21.32 N ATOM 0 H ARG A 63 5.843 -5.923 -15.439 1.00 12.13 H new ATOM 0 HA ARG A 63 5.156 -7.780 -16.443 1.00 52.12 H new ATOM 0 HB2 ARG A 63 7.499 -8.480 -15.693 1.00 22.52 H new ATOM 0 HB3 ARG A 63 6.739 -9.316 -14.353 1.00 22.52 H new ATOM 0 HG2 ARG A 63 5.289 -10.322 -16.444 1.00 34.43 H new ATOM 0 HG3 ARG A 63 6.826 -10.032 -17.235 1.00 34.43 H new ATOM 0 HD2 ARG A 63 7.958 -11.587 -15.941 1.00 34.15 H new ATOM 0 HD3 ARG A 63 6.919 -11.355 -14.549 1.00 34.15 H new ATOM 0 HE ARG A 63 5.605 -13.113 -15.286 1.00 14.53 H new ATOM 0 HH11 ARG A 63 7.393 -11.745 -18.006 1.00 10.24 H new ATOM 0 HH12 ARG A 63 6.821 -12.967 -19.146 1.00 10.24 H new ATOM 0 HH21 ARG A 63 4.874 -14.679 -16.758 1.00 21.32 H new ATOM 0 HH22 ARG A 63 5.401 -14.621 -18.443 1.00 21.32 H new ATOM 951 N LEU A 64 3.268 -7.695 -14.347 1.00 1.14 N ATOM 952 CA LEU A 64 2.058 -8.122 -13.653 1.00 11.32 C ATOM 953 C LEU A 64 0.822 -7.874 -14.511 1.00 52.24 C ATOM 954 O LEU A 64 0.005 -7.005 -14.204 1.00 41.24 O ATOM 955 CB LEU A 64 1.923 -7.384 -12.320 1.00 4.43 C ATOM 956 CG LEU A 64 2.612 -8.035 -11.120 1.00 10.44 C ATOM 957 CD1 LEU A 64 3.973 -7.401 -10.877 1.00 63.42 C ATOM 958 CD2 LEU A 64 1.740 -7.921 -9.878 1.00 12.52 C ATOM 0 H LEU A 64 3.312 -6.695 -14.541 1.00 1.14 H new ATOM 0 HA LEU A 64 2.137 -9.192 -13.462 1.00 11.32 H new ATOM 0 HB2 LEU A 64 2.324 -6.378 -12.442 1.00 4.43 H new ATOM 0 HB3 LEU A 64 0.862 -7.279 -12.092 1.00 4.43 H new ATOM 0 HG LEU A 64 2.760 -9.092 -11.340 1.00 10.44 H new ATOM 0 HD11 LEU A 64 4.448 -7.877 -10.019 1.00 63.42 H new ATOM 0 HD12 LEU A 64 4.599 -7.534 -11.759 1.00 63.42 H new ATOM 0 HD13 LEU A 64 3.848 -6.337 -10.678 1.00 63.42 H new ATOM 0 HD21 LEU A 64 2.246 -8.390 -9.034 1.00 12.52 H new ATOM 0 HD22 LEU A 64 1.560 -6.869 -9.655 1.00 12.52 H new ATOM 0 HD23 LEU A 64 0.788 -8.422 -10.054 1.00 12.52 H new ATOM 970 N ILE A 65 0.690 -8.644 -15.586 1.00 42.22 N ATOM 971 CA ILE A 65 -0.447 -8.509 -16.487 1.00 54.34 C ATOM 972 C ILE A 65 -1.230 -9.814 -16.584 1.00 40.02 C ATOM 973 O ILE A 65 -2.421 -9.862 -16.275 1.00 11.21 O ATOM 974 CB ILE A 65 0.000 -8.086 -17.899 1.00 52.51 C ATOM 975 CG1 ILE A 65 0.749 -6.752 -17.842 1.00 74.43 C ATOM 976 CG2 ILE A 65 -1.201 -7.985 -18.827 1.00 74.44 C ATOM 977 CD1 ILE A 65 -0.104 -5.601 -17.357 1.00 4.22 C ATOM 0 H ILE A 65 1.357 -9.368 -15.854 1.00 42.22 H new ATOM 0 HA ILE A 65 -1.089 -7.733 -16.070 1.00 54.34 H new ATOM 0 HB ILE A 65 0.676 -8.845 -18.293 1.00 52.51 H new ATOM 0 HG12 ILE A 65 1.612 -6.857 -17.184 1.00 74.43 H new ATOM 0 HG13 ILE A 65 1.132 -6.517 -18.835 1.00 74.43 H new ATOM 0 HG21 ILE A 65 -0.869 -7.685 -19.821 1.00 74.44 H new ATOM 0 HG22 ILE A 65 -1.697 -8.954 -18.887 1.00 74.44 H new ATOM 0 HG23 ILE A 65 -1.899 -7.244 -18.439 1.00 74.44 H new ATOM 0 HD11 ILE A 65 0.491 -4.688 -17.342 1.00 4.22 H new ATOM 0 HD12 ILE A 65 -0.953 -5.470 -18.028 1.00 4.22 H new ATOM 0 HD13 ILE A 65 -0.466 -5.815 -16.351 1.00 4.22 H new ATOM 989 N THR A 66 -0.552 -10.874 -17.014 1.00 51.33 N ATOM 990 CA THR A 66 -1.183 -12.180 -17.152 1.00 22.34 C ATOM 991 C THR A 66 -1.666 -12.702 -15.803 1.00 53.22 C ATOM 992 O THR A 66 -1.293 -12.177 -14.754 1.00 71.53 O ATOM 993 CB THR A 66 -0.217 -13.208 -17.770 1.00 62.33 C ATOM 994 OG1 THR A 66 0.989 -12.558 -18.188 1.00 32.12 O ATOM 995 CG2 THR A 66 -0.859 -13.908 -18.958 1.00 53.14 C ATOM 0 H THR A 66 0.434 -10.853 -17.273 1.00 51.33 H new ATOM 0 HA THR A 66 -2.037 -12.050 -17.816 1.00 22.34 H new ATOM 0 HB THR A 66 0.017 -13.955 -17.011 1.00 62.33 H new ATOM 0 HG1 THR A 66 1.598 -13.219 -18.578 1.00 32.12 H new ATOM 0 HG21 THR A 66 -0.158 -14.629 -19.378 1.00 53.14 H new ATOM 0 HG22 THR A 66 -1.761 -14.426 -18.631 1.00 53.14 H new ATOM 0 HG23 THR A 66 -1.119 -13.171 -19.718 1.00 53.14 H new ATOM 1003 N ALA A 67 -2.498 -13.738 -15.838 1.00 53.54 N ATOM 1004 CA ALA A 67 -3.029 -14.333 -14.618 1.00 52.33 C ATOM 1005 C ALA A 67 -2.304 -15.631 -14.281 1.00 35.24 C ATOM 1006 O ALA A 67 -1.719 -15.765 -13.207 1.00 40.00 O ATOM 1007 CB ALA A 67 -4.524 -14.581 -14.759 1.00 64.33 C ATOM 0 H ALA A 67 -2.819 -14.182 -16.698 1.00 53.54 H new ATOM 0 HA ALA A 67 -2.864 -13.633 -13.799 1.00 52.33 H new ATOM 0 HB1 ALA A 67 -4.907 -15.026 -13.841 1.00 64.33 H new ATOM 0 HB2 ALA A 67 -5.034 -13.636 -14.945 1.00 64.33 H new ATOM 0 HB3 ALA A 67 -4.703 -15.260 -15.593 1.00 64.33 H new ATOM 1013 N ASN A 68 -2.349 -16.586 -15.204 1.00 50.23 N ATOM 1014 CA ASN A 68 -1.697 -17.875 -15.003 1.00 50.24 C ATOM 1015 C ASN A 68 -1.240 -18.466 -16.333 1.00 63.33 C ATOM 1016 O ASN A 68 -1.830 -19.412 -16.856 1.00 51.55 O ATOM 1017 CB ASN A 68 -2.647 -18.846 -14.300 1.00 72.32 C ATOM 1018 CG ASN A 68 -4.035 -18.842 -14.912 1.00 21.42 C ATOM 1019 OD1 ASN A 68 -4.783 -17.874 -14.775 1.00 20.32 O ATOM 1020 ND2 ASN A 68 -4.385 -19.928 -15.591 1.00 61.40 N ATOM 0 H ASN A 68 -2.830 -16.492 -16.098 1.00 50.23 H new ATOM 0 HA ASN A 68 -0.820 -17.717 -14.375 1.00 50.24 H new ATOM 0 HB2 ASN A 68 -2.234 -19.854 -14.349 1.00 72.32 H new ATOM 0 HB3 ASN A 68 -2.717 -18.581 -13.245 1.00 72.32 H new ATOM 0 HD21 ASN A 68 -5.307 -19.983 -16.025 1.00 61.40 H new ATOM 0 HD22 ASN A 68 -3.732 -20.707 -15.679 1.00 61.40 H new ATOM 1027 N PRO A 69 -0.162 -17.898 -16.894 1.00 62.11 N ATOM 1028 CA PRO A 69 0.400 -18.354 -18.169 1.00 24.12 C ATOM 1029 C PRO A 69 1.061 -19.724 -18.054 1.00 54.23 C ATOM 1030 O PRO A 69 1.895 -19.951 -17.178 1.00 42.42 O ATOM 1031 CB PRO A 69 1.443 -17.284 -18.499 1.00 45.35 C ATOM 1032 CG PRO A 69 1.828 -16.709 -17.180 1.00 22.11 C ATOM 1033 CD PRO A 69 0.591 -16.767 -16.327 1.00 24.24 C ATOM 0 HA PRO A 69 -0.367 -18.472 -18.934 1.00 24.12 H new ATOM 0 HB2 PRO A 69 2.304 -17.715 -19.009 1.00 45.35 H new ATOM 0 HB3 PRO A 69 1.031 -16.520 -19.159 1.00 45.35 H new ATOM 0 HG2 PRO A 69 2.641 -17.278 -16.728 1.00 22.11 H new ATOM 0 HG3 PRO A 69 2.179 -15.683 -17.289 1.00 22.11 H new ATOM 0 HD2 PRO A 69 0.834 -16.932 -15.277 1.00 24.24 H new ATOM 0 HD3 PRO A 69 0.022 -15.839 -16.380 1.00 24.24 H new ATOM 1041 N VAL A 70 0.682 -20.635 -18.945 1.00 53.44 N ATOM 1042 CA VAL A 70 1.239 -21.982 -18.946 1.00 1.13 C ATOM 1043 C VAL A 70 1.282 -22.559 -20.356 1.00 53.43 C ATOM 1044 O VAL A 70 0.348 -22.381 -21.139 1.00 14.03 O ATOM 1045 CB VAL A 70 0.425 -22.926 -18.041 1.00 63.22 C ATOM 1046 CG1 VAL A 70 0.367 -22.386 -16.620 1.00 60.24 C ATOM 1047 CG2 VAL A 70 -0.974 -23.126 -18.602 1.00 54.24 C ATOM 0 H VAL A 70 -0.009 -20.464 -19.676 1.00 53.44 H new ATOM 0 HA VAL A 70 2.255 -21.905 -18.558 1.00 1.13 H new ATOM 0 HB VAL A 70 0.923 -23.895 -18.015 1.00 63.22 H new ATOM 0 HG11 VAL A 70 -0.212 -23.066 -15.996 1.00 60.24 H new ATOM 0 HG12 VAL A 70 1.378 -22.300 -16.222 1.00 60.24 H new ATOM 0 HG13 VAL A 70 -0.107 -21.404 -16.623 1.00 60.24 H new ATOM 0 HG21 VAL A 70 -1.535 -23.796 -17.950 1.00 54.24 H new ATOM 0 HG22 VAL A 70 -1.484 -22.164 -18.660 1.00 54.24 H new ATOM 0 HG23 VAL A 70 -0.907 -23.562 -19.599 1.00 54.24 H new ATOM 1057 N ILE A 71 2.371 -23.250 -20.674 1.00 51.02 N ATOM 1058 CA ILE A 71 2.534 -23.856 -21.990 1.00 14.11 C ATOM 1059 C ILE A 71 1.512 -24.965 -22.214 1.00 71.43 C ATOM 1060 O ILE A 71 1.510 -25.976 -21.510 1.00 44.21 O ATOM 1061 CB ILE A 71 3.950 -24.433 -22.173 1.00 12.22 C ATOM 1062 CG1 ILE A 71 5.001 -23.349 -21.926 1.00 24.34 C ATOM 1063 CG2 ILE A 71 4.106 -25.022 -23.567 1.00 12.31 C ATOM 1064 CD1 ILE A 71 4.894 -22.175 -22.873 1.00 73.34 C ATOM 0 H ILE A 71 3.154 -23.404 -20.039 1.00 51.02 H new ATOM 0 HA ILE A 71 2.376 -23.065 -22.724 1.00 14.11 H new ATOM 0 HB ILE A 71 4.099 -25.230 -21.445 1.00 12.22 H new ATOM 0 HG12 ILE A 71 4.905 -22.989 -20.902 1.00 24.34 H new ATOM 0 HG13 ILE A 71 5.994 -23.790 -22.018 1.00 24.34 H new ATOM 0 HG21 ILE A 71 5.112 -25.426 -23.681 1.00 12.31 H new ATOM 0 HG22 ILE A 71 3.377 -25.820 -23.709 1.00 12.31 H new ATOM 0 HG23 ILE A 71 3.941 -24.243 -24.312 1.00 12.31 H new ATOM 0 HD11 ILE A 71 5.670 -21.447 -22.639 1.00 73.34 H new ATOM 0 HD12 ILE A 71 5.020 -22.522 -23.899 1.00 73.34 H new ATOM 0 HD13 ILE A 71 3.915 -21.709 -22.765 1.00 73.34 H new ATOM 1076 N THR A 72 0.643 -24.772 -23.202 1.00 2.21 N ATOM 1077 CA THR A 72 -0.383 -25.756 -23.521 1.00 13.01 C ATOM 1078 C THR A 72 0.112 -26.748 -24.567 1.00 24.13 C ATOM 1079 O THR A 72 -0.098 -27.954 -24.440 1.00 10.23 O ATOM 1080 CB THR A 72 -1.667 -25.081 -24.038 1.00 54.24 C ATOM 1081 OG1 THR A 72 -1.370 -24.275 -25.184 1.00 61.43 O ATOM 1082 CG2 THR A 72 -2.299 -24.218 -22.956 1.00 71.22 C ATOM 0 H THR A 72 0.630 -23.942 -23.795 1.00 2.21 H new ATOM 0 HA THR A 72 -0.608 -26.289 -22.597 1.00 13.01 H new ATOM 0 HB THR A 72 -2.374 -25.862 -24.317 1.00 54.24 H new ATOM 0 HG1 THR A 72 -2.192 -23.851 -25.508 1.00 61.43 H new ATOM 0 HG21 THR A 72 -3.204 -23.752 -23.345 1.00 71.22 H new ATOM 0 HG22 THR A 72 -2.551 -24.839 -22.096 1.00 71.22 H new ATOM 0 HG23 THR A 72 -1.595 -23.444 -22.650 1.00 71.22 H new ATOM 1090 N GLU A 73 0.772 -26.233 -25.599 1.00 40.53 N ATOM 1091 CA GLU A 73 1.299 -27.075 -26.666 1.00 73.43 C ATOM 1092 C GLU A 73 2.154 -28.203 -26.097 1.00 30.55 C ATOM 1093 O GLU A 73 2.745 -28.069 -25.025 1.00 15.41 O ATOM 1094 CB GLU A 73 2.125 -26.239 -27.646 1.00 73.42 C ATOM 1095 CG GLU A 73 1.296 -25.257 -28.456 1.00 43.45 C ATOM 1096 CD GLU A 73 0.063 -25.896 -29.065 1.00 2.21 C ATOM 1097 OE1 GLU A 73 0.215 -26.686 -30.020 1.00 24.43 O ATOM 1098 OE2 GLU A 73 -1.053 -25.606 -28.587 1.00 53.51 O ATOM 0 H GLU A 73 0.955 -25.237 -25.719 1.00 40.53 H new ATOM 0 HA GLU A 73 0.455 -27.514 -27.197 1.00 73.43 H new ATOM 0 HB2 GLU A 73 2.885 -25.689 -27.091 1.00 73.42 H new ATOM 0 HB3 GLU A 73 2.650 -26.908 -28.328 1.00 73.42 H new ATOM 0 HG2 GLU A 73 0.992 -24.429 -27.815 1.00 43.45 H new ATOM 0 HG3 GLU A 73 1.912 -24.836 -29.250 1.00 43.45 H new ATOM 1105 N SER A 74 2.215 -29.316 -26.821 1.00 74.12 N ATOM 1106 CA SER A 74 2.994 -30.470 -26.387 1.00 15.22 C ATOM 1107 C SER A 74 4.273 -30.602 -27.208 1.00 13.23 C ATOM 1108 O SER A 74 5.320 -30.991 -26.690 1.00 2.42 O ATOM 1109 CB SER A 74 2.162 -31.748 -26.508 1.00 71.21 C ATOM 1110 OG SER A 74 2.114 -32.200 -27.850 1.00 64.23 O ATOM 0 H SER A 74 1.734 -29.443 -27.711 1.00 74.12 H new ATOM 0 HA SER A 74 3.268 -30.321 -25.342 1.00 15.22 H new ATOM 0 HB2 SER A 74 2.589 -32.525 -25.874 1.00 71.21 H new ATOM 0 HB3 SER A 74 1.150 -31.563 -26.147 1.00 71.21 H new ATOM 0 HG SER A 74 1.578 -33.019 -27.900 1.00 64.23 H new ATOM 1116 N THR A 75 4.180 -30.275 -28.493 1.00 71.31 N ATOM 1117 CA THR A 75 5.328 -30.357 -29.387 1.00 71.03 C ATOM 1118 C THR A 75 6.375 -29.306 -29.036 1.00 34.14 C ATOM 1119 O THR A 75 6.038 -28.195 -28.626 1.00 64.54 O ATOM 1120 CB THR A 75 4.908 -30.175 -30.858 1.00 64.32 C ATOM 1121 OG1 THR A 75 6.069 -30.126 -31.696 1.00 14.40 O ATOM 1122 CG2 THR A 75 4.094 -28.903 -31.035 1.00 52.23 C ATOM 0 H THR A 75 3.321 -29.951 -28.938 1.00 71.31 H new ATOM 0 HA THR A 75 5.758 -31.351 -29.259 1.00 71.03 H new ATOM 0 HB THR A 75 4.289 -31.025 -31.144 1.00 64.32 H new ATOM 0 HG1 THR A 75 5.794 -30.012 -32.630 1.00 14.40 H new ATOM 0 HG21 THR A 75 3.809 -28.796 -32.082 1.00 52.23 H new ATOM 0 HG22 THR A 75 3.197 -28.956 -30.418 1.00 52.23 H new ATOM 0 HG23 THR A 75 4.692 -28.043 -30.732 1.00 52.23 H new ATOM 1130 N GLU A 76 7.644 -29.664 -29.199 1.00 24.43 N ATOM 1131 CA GLU A 76 8.740 -28.751 -28.897 1.00 0.15 C ATOM 1132 C GLU A 76 8.633 -27.478 -29.731 1.00 52.20 C ATOM 1133 O GLU A 76 7.705 -27.319 -30.523 1.00 41.22 O ATOM 1134 CB GLU A 76 10.086 -29.431 -29.154 1.00 43.23 C ATOM 1135 CG GLU A 76 10.403 -29.615 -30.629 1.00 35.41 C ATOM 1136 CD GLU A 76 11.640 -30.460 -30.859 1.00 25.42 C ATOM 1137 OE1 GLU A 76 12.759 -29.912 -30.761 1.00 75.33 O ATOM 1138 OE2 GLU A 76 11.492 -31.669 -31.136 1.00 53.44 O ATOM 0 H GLU A 76 7.939 -30.580 -29.538 1.00 24.43 H new ATOM 0 HA GLU A 76 8.674 -28.481 -27.843 1.00 0.15 H new ATOM 0 HB2 GLU A 76 10.876 -28.839 -28.692 1.00 43.23 H new ATOM 0 HB3 GLU A 76 10.090 -30.405 -28.666 1.00 43.23 H new ATOM 0 HG2 GLU A 76 9.552 -30.082 -31.124 1.00 35.41 H new ATOM 0 HG3 GLU A 76 10.544 -28.638 -31.091 1.00 35.41 H new ATOM 1145 N ASN A 77 9.589 -26.574 -29.546 1.00 2.41 N ATOM 1146 CA ASN A 77 9.602 -25.313 -30.279 1.00 75.02 C ATOM 1147 C ASN A 77 8.266 -24.589 -30.139 1.00 73.34 C ATOM 1148 O ASN A 77 7.788 -23.958 -31.082 1.00 45.21 O ATOM 1149 CB ASN A 77 9.907 -25.562 -31.758 1.00 1.14 C ATOM 1150 CG ASN A 77 11.326 -26.048 -31.981 1.00 3.33 C ATOM 1151 OD1 ASN A 77 12.152 -26.029 -31.067 1.00 54.45 O ATOM 1152 ND2 ASN A 77 11.617 -26.486 -33.200 1.00 75.12 N ATOM 0 H ASN A 77 10.365 -26.691 -28.895 1.00 2.41 H new ATOM 0 HA ASN A 77 10.383 -24.683 -29.855 1.00 75.02 H new ATOM 0 HB2 ASN A 77 9.207 -26.299 -32.152 1.00 1.14 H new ATOM 0 HB3 ASN A 77 9.749 -24.641 -32.319 1.00 1.14 H new ATOM 0 HD21 ASN A 77 12.556 -26.825 -33.410 1.00 75.12 H new ATOM 0 HD22 ASN A 77 10.902 -26.484 -33.927 1.00 75.12 H new ATOM 1159 N SER A 78 7.668 -24.686 -28.956 1.00 53.52 N ATOM 1160 CA SER A 78 6.386 -24.042 -28.693 1.00 31.20 C ATOM 1161 C SER A 78 6.584 -22.704 -27.988 1.00 44.44 C ATOM 1162 O SER A 78 7.304 -22.613 -26.993 1.00 54.43 O ATOM 1163 CB SER A 78 5.499 -24.953 -27.841 1.00 64.14 C ATOM 1164 OG SER A 78 4.817 -25.898 -28.647 1.00 32.31 O ATOM 0 H SER A 78 8.050 -25.204 -28.165 1.00 53.52 H new ATOM 0 HA SER A 78 5.896 -23.860 -29.650 1.00 31.20 H new ATOM 0 HB2 SER A 78 6.109 -25.473 -27.103 1.00 64.14 H new ATOM 0 HB3 SER A 78 4.776 -24.351 -27.290 1.00 64.14 H new ATOM 0 HG SER A 78 5.386 -26.685 -28.781 1.00 32.31 H new ATOM 1170 N LYS A 79 5.941 -21.666 -28.512 1.00 42.51 N ATOM 1171 CA LYS A 79 6.042 -20.331 -27.933 1.00 72.20 C ATOM 1172 C LYS A 79 4.702 -19.887 -27.355 1.00 1.43 C ATOM 1173 O LYS A 79 3.651 -20.408 -27.727 1.00 44.43 O ATOM 1174 CB LYS A 79 6.511 -19.328 -28.990 1.00 22.45 C ATOM 1175 CG LYS A 79 5.785 -19.459 -30.317 1.00 64.33 C ATOM 1176 CD LYS A 79 6.503 -20.418 -31.253 1.00 33.13 C ATOM 1177 CE LYS A 79 7.521 -19.694 -32.119 1.00 44.23 C ATOM 1178 NZ LYS A 79 7.977 -20.535 -33.260 1.00 64.41 N ATOM 0 H LYS A 79 5.344 -21.723 -29.337 1.00 42.51 H new ATOM 0 HA LYS A 79 6.773 -20.366 -27.125 1.00 72.20 H new ATOM 0 HB2 LYS A 79 6.371 -18.317 -28.607 1.00 22.45 H new ATOM 0 HB3 LYS A 79 7.580 -19.461 -29.156 1.00 22.45 H new ATOM 0 HG2 LYS A 79 4.768 -19.811 -30.143 1.00 64.33 H new ATOM 0 HG3 LYS A 79 5.707 -18.479 -30.788 1.00 64.33 H new ATOM 0 HD2 LYS A 79 7.004 -21.191 -30.670 1.00 33.13 H new ATOM 0 HD3 LYS A 79 5.775 -20.921 -31.889 1.00 33.13 H new ATOM 0 HE2 LYS A 79 7.083 -18.772 -32.500 1.00 44.23 H new ATOM 0 HE3 LYS A 79 8.380 -19.411 -31.510 1.00 44.23 H new ATOM 0 HZ1 LYS A 79 8.670 -20.006 -33.826 1.00 64.41 H new ATOM 0 HZ2 LYS A 79 8.418 -21.404 -32.896 1.00 64.41 H new ATOM 0 HZ3 LYS A 79 7.161 -20.784 -33.855 1.00 64.41 H new ATOM 1192 N MET A 80 4.748 -18.920 -26.444 1.00 35.03 N ATOM 1193 CA MET A 80 3.536 -18.404 -25.817 1.00 3.21 C ATOM 1194 C MET A 80 3.620 -16.892 -25.635 1.00 43.41 C ATOM 1195 O MET A 80 4.642 -16.366 -25.195 1.00 22.24 O ATOM 1196 CB MET A 80 3.309 -19.080 -24.464 1.00 13.15 C ATOM 1197 CG MET A 80 2.490 -20.357 -24.552 1.00 74.35 C ATOM 1198 SD MET A 80 0.730 -20.039 -24.783 1.00 33.24 S ATOM 1199 CE MET A 80 0.265 -19.502 -23.138 1.00 50.03 C ATOM 0 H MET A 80 5.610 -18.478 -26.124 1.00 35.03 H new ATOM 0 HA MET A 80 2.694 -18.627 -26.472 1.00 3.21 H new ATOM 0 HB2 MET A 80 4.275 -19.308 -24.015 1.00 13.15 H new ATOM 0 HB3 MET A 80 2.805 -18.380 -23.798 1.00 13.15 H new ATOM 0 HG2 MET A 80 2.857 -20.963 -25.380 1.00 74.35 H new ATOM 0 HG3 MET A 80 2.634 -20.940 -23.642 1.00 74.35 H new ATOM 0 HE1 MET A 80 -0.821 -19.524 -23.041 1.00 50.03 H new ATOM 0 HE2 MET A 80 0.708 -20.169 -22.399 1.00 50.03 H new ATOM 0 HE3 MET A 80 0.624 -18.486 -22.972 1.00 50.03 H new ATOM 1209 N MET A 81 2.540 -16.198 -25.978 1.00 13.13 N ATOM 1210 CA MET A 81 2.493 -14.746 -25.852 1.00 15.25 C ATOM 1211 C MET A 81 2.267 -14.333 -24.400 1.00 61.24 C ATOM 1212 O MET A 81 1.332 -14.801 -23.749 1.00 71.24 O ATOM 1213 CB MET A 81 1.384 -14.171 -26.735 1.00 73.44 C ATOM 1214 CG MET A 81 1.233 -12.663 -26.619 1.00 23.34 C ATOM 1215 SD MET A 81 0.511 -11.921 -28.094 1.00 72.15 S ATOM 1216 CE MET A 81 -0.525 -10.656 -27.364 1.00 54.43 C ATOM 0 H MET A 81 1.686 -16.617 -26.345 1.00 13.13 H new ATOM 0 HA MET A 81 3.453 -14.347 -26.180 1.00 15.25 H new ATOM 0 HB2 MET A 81 1.589 -14.428 -27.774 1.00 73.44 H new ATOM 0 HB3 MET A 81 0.438 -14.644 -26.470 1.00 73.44 H new ATOM 0 HG2 MET A 81 0.608 -12.430 -25.757 1.00 23.34 H new ATOM 0 HG3 MET A 81 2.210 -12.217 -26.434 1.00 23.34 H new ATOM 0 HE1 MET A 81 -0.999 -10.073 -28.154 1.00 54.43 H new ATOM 0 HE2 MET A 81 -1.293 -11.125 -26.748 1.00 54.43 H new ATOM 0 HE3 MET A 81 0.085 -9.999 -26.745 1.00 54.43 H new ATOM 1226 N LEU A 82 3.129 -13.455 -23.899 1.00 32.40 N ATOM 1227 CA LEU A 82 3.024 -12.980 -22.524 1.00 12.02 C ATOM 1228 C LEU A 82 2.827 -11.468 -22.484 1.00 3.12 C ATOM 1229 O LEU A 82 3.152 -10.765 -23.440 1.00 72.34 O ATOM 1230 CB LEU A 82 4.276 -13.364 -21.734 1.00 31.14 C ATOM 1231 CG LEU A 82 4.794 -14.787 -21.946 1.00 52.05 C ATOM 1232 CD1 LEU A 82 6.220 -14.918 -21.434 1.00 73.33 C ATOM 1233 CD2 LEU A 82 3.883 -15.794 -21.259 1.00 64.33 C ATOM 0 H LEU A 82 3.908 -13.058 -24.424 1.00 32.40 H new ATOM 0 HA LEU A 82 2.155 -13.453 -22.067 1.00 12.02 H new ATOM 0 HB2 LEU A 82 5.073 -12.667 -21.993 1.00 31.14 H new ATOM 0 HB3 LEU A 82 4.067 -13.229 -20.673 1.00 31.14 H new ATOM 0 HG LEU A 82 4.794 -14.998 -23.015 1.00 52.05 H new ATOM 0 HD11 LEU A 82 6.572 -15.937 -21.593 1.00 73.33 H new ATOM 0 HD12 LEU A 82 6.865 -14.223 -21.972 1.00 73.33 H new ATOM 0 HD13 LEU A 82 6.247 -14.687 -20.369 1.00 73.33 H new ATOM 0 HD21 LEU A 82 4.267 -16.801 -21.420 1.00 64.33 H new ATOM 0 HD22 LEU A 82 3.851 -15.585 -20.190 1.00 64.33 H new ATOM 0 HD23 LEU A 82 2.878 -15.718 -21.674 1.00 64.33 H new ATOM 1245 N GLU A 83 2.296 -10.975 -21.370 1.00 11.54 N ATOM 1246 CA GLU A 83 2.058 -9.545 -21.205 1.00 72.34 C ATOM 1247 C GLU A 83 2.803 -9.006 -19.988 1.00 10.11 C ATOM 1248 O GLU A 83 2.809 -9.627 -18.924 1.00 50.21 O ATOM 1249 CB GLU A 83 0.560 -9.268 -21.064 1.00 74.21 C ATOM 1250 CG GLU A 83 -0.265 -9.765 -22.240 1.00 2.11 C ATOM 1251 CD GLU A 83 -1.757 -9.681 -21.983 1.00 41.22 C ATOM 1252 OE1 GLU A 83 -2.377 -10.737 -21.740 1.00 22.51 O ATOM 1253 OE2 GLU A 83 -2.305 -8.560 -22.026 1.00 4.54 O ATOM 0 H GLU A 83 2.022 -11.544 -20.569 1.00 11.54 H new ATOM 0 HA GLU A 83 2.432 -9.036 -22.093 1.00 72.34 H new ATOM 0 HB2 GLU A 83 0.196 -9.740 -20.151 1.00 74.21 H new ATOM 0 HB3 GLU A 83 0.407 -8.195 -20.951 1.00 74.21 H new ATOM 0 HG2 GLU A 83 -0.019 -9.178 -23.125 1.00 2.11 H new ATOM 0 HG3 GLU A 83 0.005 -10.798 -22.457 1.00 2.11 H new ATOM 1260 N LEU A 84 3.431 -7.847 -20.152 1.00 11.21 N ATOM 1261 CA LEU A 84 4.180 -7.222 -19.067 1.00 32.21 C ATOM 1262 C LEU A 84 3.833 -5.742 -18.948 1.00 0.43 C ATOM 1263 O LEU A 84 3.433 -5.107 -19.924 1.00 31.01 O ATOM 1264 CB LEU A 84 5.683 -7.389 -19.296 1.00 50.24 C ATOM 1265 CG LEU A 84 6.125 -8.717 -19.912 1.00 52.21 C ATOM 1266 CD1 LEU A 84 6.080 -8.643 -21.430 1.00 54.44 C ATOM 1267 CD2 LEU A 84 7.522 -9.087 -19.436 1.00 11.12 C ATOM 0 H LEU A 84 3.437 -7.321 -21.026 1.00 11.21 H new ATOM 0 HA LEU A 84 3.904 -7.717 -18.136 1.00 32.21 H new ATOM 0 HB2 LEU A 84 6.024 -6.580 -19.943 1.00 50.24 H new ATOM 0 HB3 LEU A 84 6.192 -7.268 -18.340 1.00 50.24 H new ATOM 0 HG LEU A 84 5.434 -9.494 -19.586 1.00 52.21 H new ATOM 0 HD11 LEU A 84 6.398 -9.597 -21.850 1.00 54.44 H new ATOM 0 HD12 LEU A 84 5.062 -8.425 -21.754 1.00 54.44 H new ATOM 0 HD13 LEU A 84 6.748 -7.854 -21.776 1.00 54.44 H new ATOM 0 HD21 LEU A 84 7.820 -10.035 -19.884 1.00 11.12 H new ATOM 0 HD22 LEU A 84 8.225 -8.309 -19.732 1.00 11.12 H new ATOM 0 HD23 LEU A 84 7.523 -9.183 -18.350 1.00 11.12 H new ATOM 1279 N ASP A 85 3.991 -5.197 -17.746 1.00 62.24 N ATOM 1280 CA ASP A 85 3.698 -3.790 -17.500 1.00 33.21 C ATOM 1281 C ASP A 85 4.631 -3.219 -16.437 1.00 12.50 C ATOM 1282 O ASP A 85 4.240 -2.988 -15.292 1.00 44.03 O ATOM 1283 CB ASP A 85 2.242 -3.620 -17.063 1.00 52.32 C ATOM 1284 CG ASP A 85 1.924 -2.196 -16.652 1.00 12.35 C ATOM 1285 OD1 ASP A 85 2.526 -1.263 -17.225 1.00 34.41 O ATOM 1286 OD2 ASP A 85 1.072 -2.013 -15.757 1.00 25.44 O ATOM 0 H ASP A 85 4.320 -5.709 -16.927 1.00 62.24 H new ATOM 0 HA ASP A 85 3.857 -3.243 -18.429 1.00 33.21 H new ATOM 0 HB2 ASP A 85 1.584 -3.915 -17.880 1.00 52.32 H new ATOM 0 HB3 ASP A 85 2.035 -4.291 -16.229 1.00 52.32 H new ATOM 1291 N PRO A 86 5.894 -2.985 -16.822 1.00 2.10 N ATOM 1292 CA PRO A 86 6.909 -2.438 -15.917 1.00 23.12 C ATOM 1293 C PRO A 86 6.644 -0.979 -15.562 1.00 20.12 C ATOM 1294 O PRO A 86 5.813 -0.308 -16.173 1.00 51.54 O ATOM 1295 CB PRO A 86 8.206 -2.566 -16.720 1.00 3.23 C ATOM 1296 CG PRO A 86 7.772 -2.560 -18.145 1.00 12.13 C ATOM 1297 CD PRO A 86 6.429 -3.236 -18.171 1.00 11.11 C ATOM 0 HA PRO A 86 6.929 -2.963 -14.962 1.00 23.12 H new ATOM 0 HB2 PRO A 86 8.885 -1.740 -16.510 1.00 3.23 H new ATOM 0 HB3 PRO A 86 8.736 -3.485 -16.472 1.00 3.23 H new ATOM 0 HG2 PRO A 86 7.704 -1.542 -18.528 1.00 12.13 H new ATOM 0 HG3 PRO A 86 8.488 -3.090 -18.773 1.00 12.13 H new ATOM 0 HD2 PRO A 86 5.784 -2.818 -18.943 1.00 11.11 H new ATOM 0 HD3 PRO A 86 6.520 -4.303 -18.375 1.00 11.11 H new ATOM 1305 N PRO A 87 7.366 -0.475 -14.550 1.00 41.43 N ATOM 1306 CA PRO A 87 7.226 0.911 -14.092 1.00 25.21 C ATOM 1307 C PRO A 87 7.765 1.914 -15.106 1.00 50.11 C ATOM 1308 O PRO A 87 8.210 1.538 -16.191 1.00 34.33 O ATOM 1309 CB PRO A 87 8.062 0.946 -12.810 1.00 13.04 C ATOM 1310 CG PRO A 87 9.063 -0.144 -12.980 1.00 11.14 C ATOM 1311 CD PRO A 87 8.375 -1.218 -13.777 1.00 11.44 C ATOM 0 HA PRO A 87 6.182 1.188 -13.945 1.00 25.21 H new ATOM 0 HB2 PRO A 87 8.548 1.913 -12.681 1.00 13.04 H new ATOM 0 HB3 PRO A 87 7.442 0.780 -11.929 1.00 13.04 H new ATOM 0 HG2 PRO A 87 9.950 0.219 -13.499 1.00 11.14 H new ATOM 0 HG3 PRO A 87 9.392 -0.526 -12.014 1.00 11.14 H new ATOM 0 HD2 PRO A 87 9.073 -1.744 -14.428 1.00 11.44 H new ATOM 0 HD3 PRO A 87 7.916 -1.966 -13.131 1.00 11.44 H new ATOM 1319 N PHE A 88 7.723 3.193 -14.747 1.00 35.35 N ATOM 1320 CA PHE A 88 8.206 4.251 -15.626 1.00 70.30 C ATOM 1321 C PHE A 88 9.624 3.954 -16.105 1.00 71.13 C ATOM 1322 O PHE A 88 10.590 4.122 -15.362 1.00 70.14 O ATOM 1323 CB PHE A 88 8.171 5.599 -14.904 1.00 4.14 C ATOM 1324 CG PHE A 88 6.784 6.057 -14.554 1.00 61.52 C ATOM 1325 CD1 PHE A 88 6.085 6.902 -15.401 1.00 22.32 C ATOM 1326 CD2 PHE A 88 6.179 5.642 -13.379 1.00 22.34 C ATOM 1327 CE1 PHE A 88 4.808 7.324 -15.082 1.00 42.24 C ATOM 1328 CE2 PHE A 88 4.903 6.061 -13.055 1.00 75.41 C ATOM 1329 CZ PHE A 88 4.217 6.904 -13.907 1.00 74.24 C ATOM 0 H PHE A 88 7.359 3.522 -13.853 1.00 35.35 H new ATOM 0 HA PHE A 88 7.549 4.296 -16.495 1.00 70.30 H new ATOM 0 HB2 PHE A 88 8.763 5.528 -13.991 1.00 4.14 H new ATOM 0 HB3 PHE A 88 8.645 6.352 -15.534 1.00 4.14 H new ATOM 0 HD1 PHE A 88 6.543 7.235 -16.321 1.00 22.32 H new ATOM 0 HD2 PHE A 88 6.711 4.983 -12.708 1.00 22.34 H new ATOM 0 HE1 PHE A 88 4.273 7.982 -15.751 1.00 42.24 H new ATOM 0 HE2 PHE A 88 4.442 5.730 -12.136 1.00 75.41 H new ATOM 0 HZ PHE A 88 3.220 7.234 -13.655 1.00 74.24 H new ATOM 1339 N GLY A 89 9.740 3.511 -17.354 1.00 32.44 N ATOM 1340 CA GLY A 89 11.042 3.196 -17.911 1.00 21.51 C ATOM 1341 C GLY A 89 11.510 1.803 -17.539 1.00 63.52 C ATOM 1342 O GLY A 89 12.149 1.611 -16.505 1.00 24.44 O ATOM 0 H GLY A 89 8.955 3.365 -17.989 1.00 32.44 H new ATOM 0 HA2 GLY A 89 11.000 3.284 -18.997 1.00 21.51 H new ATOM 0 HA3 GLY A 89 11.771 3.927 -17.560 1.00 21.51 H new ATOM 1346 N ASP A 90 11.191 0.828 -18.383 1.00 75.13 N ATOM 1347 CA ASP A 90 11.582 -0.555 -18.138 1.00 22.21 C ATOM 1348 C ASP A 90 13.079 -0.655 -17.858 1.00 55.14 C ATOM 1349 O ASP A 90 13.862 0.180 -18.311 1.00 74.02 O ATOM 1350 CB ASP A 90 11.215 -1.432 -19.336 1.00 41.12 C ATOM 1351 CG ASP A 90 11.438 -2.907 -19.065 1.00 10.35 C ATOM 1352 OD1 ASP A 90 10.684 -3.481 -18.251 1.00 4.15 O ATOM 1353 OD2 ASP A 90 12.365 -3.487 -19.667 1.00 3.25 O ATOM 0 H ASP A 90 10.662 0.970 -19.244 1.00 75.13 H new ATOM 0 HA ASP A 90 11.042 -0.909 -17.260 1.00 22.21 H new ATOM 0 HB2 ASP A 90 10.169 -1.268 -19.596 1.00 41.12 H new ATOM 0 HB3 ASP A 90 11.809 -1.130 -20.199 1.00 41.12 H new ATOM 1358 N SER A 91 13.468 -1.681 -17.109 1.00 23.02 N ATOM 1359 CA SER A 91 14.870 -1.887 -16.764 1.00 42.20 C ATOM 1360 C SER A 91 15.541 -2.830 -17.758 1.00 43.41 C ATOM 1361 O SER A 91 16.318 -2.400 -18.611 1.00 44.21 O ATOM 1362 CB SER A 91 14.991 -2.451 -15.347 1.00 43.01 C ATOM 1363 OG SER A 91 16.347 -2.683 -15.005 1.00 13.45 O ATOM 0 H SER A 91 12.833 -2.383 -16.729 1.00 23.02 H new ATOM 0 HA SER A 91 15.375 -0.922 -16.807 1.00 42.20 H new ATOM 0 HB2 SER A 91 14.547 -1.754 -14.636 1.00 43.01 H new ATOM 0 HB3 SER A 91 14.430 -3.382 -15.274 1.00 43.01 H new ATOM 0 HG SER A 91 16.808 -1.825 -14.896 1.00 13.45 H new ATOM 1369 N TYR A 92 15.236 -4.117 -17.641 1.00 73.04 N ATOM 1370 CA TYR A 92 15.812 -5.123 -18.526 1.00 54.44 C ATOM 1371 C TYR A 92 14.827 -6.263 -18.769 1.00 42.54 C ATOM 1372 O TYR A 92 13.694 -6.232 -18.287 1.00 65.53 O ATOM 1373 CB TYR A 92 17.109 -5.672 -17.932 1.00 22.52 C ATOM 1374 CG TYR A 92 18.293 -4.747 -18.102 1.00 61.53 C ATOM 1375 CD1 TYR A 92 18.618 -3.816 -17.124 1.00 12.40 C ATOM 1376 CD2 TYR A 92 19.086 -4.804 -19.242 1.00 21.54 C ATOM 1377 CE1 TYR A 92 19.698 -2.968 -17.276 1.00 1.15 C ATOM 1378 CE2 TYR A 92 20.169 -3.962 -19.401 1.00 1.21 C ATOM 1379 CZ TYR A 92 20.471 -3.045 -18.415 1.00 71.24 C ATOM 1380 OH TYR A 92 21.548 -2.203 -18.571 1.00 70.11 O ATOM 0 H TYR A 92 14.593 -4.489 -16.942 1.00 73.04 H new ATOM 0 HA TYR A 92 16.031 -4.647 -19.482 1.00 54.44 H new ATOM 0 HB2 TYR A 92 16.959 -5.865 -16.870 1.00 22.52 H new ATOM 0 HB3 TYR A 92 17.337 -6.629 -18.401 1.00 22.52 H new ATOM 0 HD1 TYR A 92 18.016 -3.754 -16.229 1.00 12.40 H new ATOM 0 HD2 TYR A 92 18.851 -5.519 -20.017 1.00 21.54 H new ATOM 0 HE1 TYR A 92 19.936 -2.248 -16.506 1.00 1.15 H new ATOM 0 HE2 TYR A 92 20.776 -4.021 -20.292 1.00 1.21 H new ATOM 0 HH TYR A 92 21.986 -2.388 -19.428 1.00 70.11 H new ATOM 1390 N ILE A 93 15.268 -7.266 -19.520 1.00 23.54 N ATOM 1391 CA ILE A 93 14.428 -8.418 -19.825 1.00 3.13 C ATOM 1392 C ILE A 93 15.237 -9.710 -19.801 1.00 23.31 C ATOM 1393 O ILE A 93 16.236 -9.843 -20.508 1.00 24.21 O ATOM 1394 CB ILE A 93 13.753 -8.273 -21.201 1.00 62.44 C ATOM 1395 CG1 ILE A 93 12.900 -7.004 -21.244 1.00 75.44 C ATOM 1396 CG2 ILE A 93 12.905 -9.499 -21.507 1.00 25.20 C ATOM 1397 CD1 ILE A 93 12.319 -6.713 -22.610 1.00 52.34 C ATOM 0 H ILE A 93 16.202 -7.305 -19.929 1.00 23.54 H new ATOM 0 HA ILE A 93 13.658 -8.460 -19.055 1.00 3.13 H new ATOM 0 HB ILE A 93 14.528 -8.193 -21.963 1.00 62.44 H new ATOM 0 HG12 ILE A 93 12.087 -7.098 -20.525 1.00 75.44 H new ATOM 0 HG13 ILE A 93 13.508 -6.156 -20.929 1.00 75.44 H new ATOM 0 HG21 ILE A 93 12.434 -9.381 -22.483 1.00 25.20 H new ATOM 0 HG22 ILE A 93 13.538 -10.387 -21.514 1.00 25.20 H new ATOM 0 HG23 ILE A 93 12.135 -9.608 -20.744 1.00 25.20 H new ATOM 0 HD11 ILE A 93 11.726 -5.799 -22.566 1.00 52.34 H new ATOM 0 HD12 ILE A 93 13.128 -6.587 -23.330 1.00 52.34 H new ATOM 0 HD13 ILE A 93 11.684 -7.543 -22.920 1.00 52.34 H new ATOM 1409 N VAL A 94 14.798 -10.662 -18.984 1.00 31.32 N ATOM 1410 CA VAL A 94 15.480 -11.946 -18.869 1.00 13.13 C ATOM 1411 C VAL A 94 14.481 -13.084 -18.692 1.00 25.51 C ATOM 1412 O VAL A 94 13.574 -13.005 -17.863 1.00 50.45 O ATOM 1413 CB VAL A 94 16.466 -11.954 -17.685 1.00 55.33 C ATOM 1414 CG1 VAL A 94 17.244 -13.260 -17.647 1.00 42.25 C ATOM 1415 CG2 VAL A 94 17.409 -10.763 -17.770 1.00 72.34 C ATOM 0 H VAL A 94 13.973 -10.568 -18.392 1.00 31.32 H new ATOM 0 HA VAL A 94 16.035 -12.094 -19.795 1.00 13.13 H new ATOM 0 HB VAL A 94 15.897 -11.872 -16.759 1.00 55.33 H new ATOM 0 HG11 VAL A 94 17.935 -13.247 -16.804 1.00 42.25 H new ATOM 0 HG12 VAL A 94 16.551 -14.093 -17.535 1.00 42.25 H new ATOM 0 HG13 VAL A 94 17.805 -13.377 -18.574 1.00 42.25 H new ATOM 0 HG21 VAL A 94 18.099 -10.784 -16.926 1.00 72.34 H new ATOM 0 HG22 VAL A 94 17.973 -10.812 -18.701 1.00 72.34 H new ATOM 0 HG23 VAL A 94 16.831 -9.839 -17.744 1.00 72.34 H new ATOM 1425 N ILE A 95 14.656 -14.143 -19.475 1.00 74.53 N ATOM 1426 CA ILE A 95 13.771 -15.300 -19.404 1.00 13.41 C ATOM 1427 C ILE A 95 14.498 -16.514 -18.836 1.00 73.04 C ATOM 1428 O ILE A 95 15.508 -16.956 -19.381 1.00 25.01 O ATOM 1429 CB ILE A 95 13.200 -15.658 -20.789 1.00 12.14 C ATOM 1430 CG1 ILE A 95 12.433 -14.469 -21.371 1.00 73.24 C ATOM 1431 CG2 ILE A 95 12.299 -16.880 -20.690 1.00 13.20 C ATOM 1432 CD1 ILE A 95 11.214 -14.082 -20.563 1.00 42.42 C ATOM 0 H ILE A 95 15.402 -14.224 -20.166 1.00 74.53 H new ATOM 0 HA ILE A 95 12.949 -15.029 -18.741 1.00 13.41 H new ATOM 0 HB ILE A 95 14.028 -15.894 -21.458 1.00 12.14 H new ATOM 0 HG12 ILE A 95 13.103 -13.612 -21.436 1.00 73.24 H new ATOM 0 HG13 ILE A 95 12.123 -14.709 -22.388 1.00 73.24 H new ATOM 0 HG21 ILE A 95 11.903 -17.121 -21.677 1.00 13.20 H new ATOM 0 HG22 ILE A 95 12.874 -17.726 -20.313 1.00 13.20 H new ATOM 0 HG23 ILE A 95 11.474 -16.670 -20.009 1.00 13.20 H new ATOM 0 HD11 ILE A 95 10.720 -13.232 -21.034 1.00 42.42 H new ATOM 0 HD12 ILE A 95 10.524 -14.925 -20.519 1.00 42.42 H new ATOM 0 HD13 ILE A 95 11.519 -13.810 -19.552 1.00 42.42 H new ATOM 1444 N GLY A 96 13.974 -17.051 -17.738 1.00 41.23 N ATOM 1445 CA GLY A 96 14.585 -18.211 -17.116 1.00 11.21 C ATOM 1446 C GLY A 96 16.047 -17.988 -16.783 1.00 71.14 C ATOM 1447 O GLY A 96 16.554 -16.872 -16.897 1.00 60.14 O ATOM 0 H GLY A 96 13.138 -16.703 -17.269 1.00 41.23 H new ATOM 0 HA2 GLY A 96 14.042 -18.459 -16.204 1.00 11.21 H new ATOM 0 HA3 GLY A 96 14.494 -19.068 -17.784 1.00 11.21 H new ATOM 1451 N VAL A 97 16.727 -19.052 -16.369 1.00 71.52 N ATOM 1452 CA VAL A 97 18.139 -18.968 -16.017 1.00 43.04 C ATOM 1453 C VAL A 97 18.903 -20.191 -16.512 1.00 70.21 C ATOM 1454 O VAL A 97 18.316 -21.244 -16.760 1.00 45.33 O ATOM 1455 CB VAL A 97 18.332 -18.838 -14.495 1.00 14.52 C ATOM 1456 CG1 VAL A 97 17.562 -17.639 -13.960 1.00 23.31 C ATOM 1457 CG2 VAL A 97 17.900 -20.116 -13.792 1.00 53.32 C ATOM 0 H VAL A 97 16.322 -19.983 -16.269 1.00 71.52 H new ATOM 0 HA VAL A 97 18.533 -18.075 -16.503 1.00 43.04 H new ATOM 0 HB VAL A 97 19.391 -18.680 -14.293 1.00 14.52 H new ATOM 0 HG11 VAL A 97 17.710 -17.563 -12.883 1.00 23.31 H new ATOM 0 HG12 VAL A 97 17.924 -16.730 -14.441 1.00 23.31 H new ATOM 0 HG13 VAL A 97 16.500 -17.764 -14.172 1.00 23.31 H new ATOM 0 HG21 VAL A 97 18.043 -20.006 -12.717 1.00 53.32 H new ATOM 0 HG22 VAL A 97 16.847 -20.308 -14.000 1.00 53.32 H new ATOM 0 HG23 VAL A 97 18.499 -20.951 -14.155 1.00 53.32 H new ATOM 1467 N GLY A 98 20.217 -20.045 -16.653 1.00 1.20 N ATOM 1468 CA GLY A 98 21.041 -21.146 -17.117 1.00 54.23 C ATOM 1469 C GLY A 98 22.281 -20.674 -17.850 1.00 13.52 C ATOM 1470 O GLY A 98 22.762 -19.565 -17.617 1.00 21.43 O ATOM 0 H GLY A 98 20.726 -19.184 -16.454 1.00 1.20 H new ATOM 0 HA2 GLY A 98 21.337 -21.758 -16.265 1.00 54.23 H new ATOM 0 HA3 GLY A 98 20.453 -21.783 -17.778 1.00 54.23 H new ATOM 1474 N GLU A 99 22.800 -21.517 -18.737 1.00 32.04 N ATOM 1475 CA GLU A 99 23.993 -21.179 -19.504 1.00 55.12 C ATOM 1476 C GLU A 99 23.632 -20.350 -20.734 1.00 35.42 C ATOM 1477 O GLU A 99 24.394 -19.481 -21.157 1.00 13.12 O ATOM 1478 CB GLU A 99 24.729 -22.451 -19.931 1.00 0.52 C ATOM 1479 CG GLU A 99 25.907 -22.191 -20.855 1.00 0.24 C ATOM 1480 CD GLU A 99 26.936 -23.304 -20.815 1.00 72.14 C ATOM 1481 OE1 GLU A 99 27.981 -23.122 -20.157 1.00 45.31 O ATOM 1482 OE2 GLU A 99 26.696 -24.357 -21.442 1.00 51.25 O ATOM 0 H GLU A 99 22.413 -22.438 -18.942 1.00 32.04 H new ATOM 0 HA GLU A 99 24.648 -20.585 -18.866 1.00 55.12 H new ATOM 0 HB2 GLU A 99 25.084 -22.971 -19.041 1.00 0.52 H new ATOM 0 HB3 GLU A 99 24.026 -23.117 -20.431 1.00 0.52 H new ATOM 0 HG2 GLU A 99 25.544 -22.073 -21.876 1.00 0.24 H new ATOM 0 HG3 GLU A 99 26.383 -21.251 -20.575 1.00 0.24 H new ATOM 1489 N LYS A 100 22.464 -20.627 -21.304 1.00 53.11 N ATOM 1490 CA LYS A 100 21.999 -19.909 -22.485 1.00 64.12 C ATOM 1491 C LYS A 100 21.100 -18.741 -22.093 1.00 41.05 C ATOM 1492 O LYS A 100 20.147 -18.413 -22.801 1.00 21.24 O ATOM 1493 CB LYS A 100 21.244 -20.857 -23.419 1.00 61.14 C ATOM 1494 CG LYS A 100 21.543 -20.627 -24.891 1.00 30.33 C ATOM 1495 CD LYS A 100 21.887 -21.927 -25.600 1.00 12.45 C ATOM 1496 CE LYS A 100 23.379 -22.033 -25.877 1.00 14.44 C ATOM 1497 NZ LYS A 100 23.664 -22.902 -27.052 1.00 1.33 N ATOM 0 H LYS A 100 21.822 -21.344 -20.967 1.00 53.11 H new ATOM 0 HA LYS A 100 22.871 -19.514 -23.006 1.00 64.12 H new ATOM 0 HB2 LYS A 100 21.498 -21.885 -23.162 1.00 61.14 H new ATOM 0 HB3 LYS A 100 20.173 -20.742 -23.252 1.00 61.14 H new ATOM 0 HG2 LYS A 100 20.679 -20.167 -25.371 1.00 30.33 H new ATOM 0 HG3 LYS A 100 22.373 -19.927 -24.990 1.00 30.33 H new ATOM 0 HD2 LYS A 100 21.568 -22.771 -24.989 1.00 12.45 H new ATOM 0 HD3 LYS A 100 21.336 -21.987 -26.539 1.00 12.45 H new ATOM 0 HE2 LYS A 100 23.787 -21.038 -26.054 1.00 14.44 H new ATOM 0 HE3 LYS A 100 23.884 -22.433 -24.998 1.00 14.44 H new ATOM 0 HZ1 LYS A 100 24.691 -22.949 -27.208 1.00 1.33 H new ATOM 0 HZ2 LYS A 100 23.297 -23.859 -26.873 1.00 1.33 H new ATOM 0 HZ3 LYS A 100 23.203 -22.506 -27.896 1.00 1.33 H new ATOM 1511 N LYS A 101 21.410 -18.115 -20.963 1.00 72.11 N ATOM 1512 CA LYS A 101 20.632 -16.981 -20.478 1.00 43.12 C ATOM 1513 C LYS A 101 20.461 -15.931 -21.572 1.00 21.33 C ATOM 1514 O LYS A 101 21.431 -15.527 -22.214 1.00 11.44 O ATOM 1515 CB LYS A 101 21.311 -16.355 -19.258 1.00 23.12 C ATOM 1516 CG LYS A 101 20.858 -16.952 -17.937 1.00 14.23 C ATOM 1517 CD LYS A 101 21.547 -16.285 -16.758 1.00 34.11 C ATOM 1518 CE LYS A 101 21.088 -16.879 -15.435 1.00 74.52 C ATOM 1519 NZ LYS A 101 21.904 -18.063 -15.046 1.00 14.21 N ATOM 0 H LYS A 101 22.195 -18.374 -20.365 1.00 72.11 H new ATOM 0 HA LYS A 101 19.646 -17.345 -20.191 1.00 43.12 H new ATOM 0 HB2 LYS A 101 22.390 -16.477 -19.351 1.00 23.12 H new ATOM 0 HB3 LYS A 101 21.110 -15.284 -19.251 1.00 23.12 H new ATOM 0 HG2 LYS A 101 19.778 -16.842 -17.838 1.00 14.23 H new ATOM 0 HG3 LYS A 101 21.072 -18.021 -17.927 1.00 14.23 H new ATOM 0 HD2 LYS A 101 22.627 -16.399 -16.854 1.00 34.11 H new ATOM 0 HD3 LYS A 101 21.337 -15.215 -16.770 1.00 34.11 H new ATOM 0 HE2 LYS A 101 21.153 -16.121 -14.655 1.00 74.52 H new ATOM 0 HE3 LYS A 101 20.040 -17.169 -15.511 1.00 74.52 H new ATOM 0 HZ1 LYS A 101 21.300 -18.757 -14.562 1.00 14.21 H new ATOM 0 HZ2 LYS A 101 22.315 -18.496 -15.897 1.00 14.21 H new ATOM 0 HZ3 LYS A 101 22.668 -17.763 -14.407 1.00 14.21 H new ATOM 1533 N ILE A 102 19.223 -15.494 -21.777 1.00 64.12 N ATOM 1534 CA ILE A 102 18.927 -14.490 -22.791 1.00 50.32 C ATOM 1535 C ILE A 102 18.605 -13.143 -22.153 1.00 41.31 C ATOM 1536 O ILE A 102 17.920 -13.074 -21.132 1.00 0.10 O ATOM 1537 CB ILE A 102 17.745 -14.919 -23.680 1.00 62.35 C ATOM 1538 CG1 ILE A 102 16.449 -14.945 -22.867 1.00 45.31 C ATOM 1539 CG2 ILE A 102 18.016 -16.283 -24.299 1.00 12.23 C ATOM 1540 CD1 ILE A 102 15.237 -15.349 -23.675 1.00 75.34 C ATOM 0 H ILE A 102 18.410 -15.819 -21.255 1.00 64.12 H new ATOM 0 HA ILE A 102 19.820 -14.393 -23.409 1.00 50.32 H new ATOM 0 HB ILE A 102 17.632 -14.192 -24.484 1.00 62.35 H new ATOM 0 HG12 ILE A 102 16.567 -15.637 -22.033 1.00 45.31 H new ATOM 0 HG13 ILE A 102 16.278 -13.957 -22.440 1.00 45.31 H new ATOM 0 HG21 ILE A 102 17.172 -16.573 -24.925 1.00 12.23 H new ATOM 0 HG22 ILE A 102 18.919 -16.233 -24.908 1.00 12.23 H new ATOM 0 HG23 ILE A 102 18.152 -17.021 -23.508 1.00 12.23 H new ATOM 0 HD11 ILE A 102 14.355 -15.346 -23.034 1.00 75.34 H new ATOM 0 HD12 ILE A 102 15.094 -14.644 -24.494 1.00 75.34 H new ATOM 0 HD13 ILE A 102 15.387 -16.350 -24.080 1.00 75.34 H new ATOM 1552 N THR A 103 19.103 -12.071 -22.763 1.00 32.12 N ATOM 1553 CA THR A 103 18.868 -10.725 -22.255 1.00 61.24 C ATOM 1554 C THR A 103 18.439 -9.783 -23.374 1.00 51.12 C ATOM 1555 O THR A 103 18.567 -10.107 -24.555 1.00 54.35 O ATOM 1556 CB THR A 103 20.126 -10.155 -21.573 1.00 51.34 C ATOM 1557 OG1 THR A 103 21.221 -10.143 -22.496 1.00 53.52 O ATOM 1558 CG2 THR A 103 20.497 -10.977 -20.349 1.00 5.13 C ATOM 0 H THR A 103 19.671 -12.109 -23.609 1.00 32.12 H new ATOM 0 HA THR A 103 18.067 -10.799 -21.519 1.00 61.24 H new ATOM 0 HB THR A 103 19.909 -9.135 -21.254 1.00 51.34 H new ATOM 0 HG1 THR A 103 22.016 -9.778 -22.055 1.00 53.52 H new ATOM 0 HG21 THR A 103 21.388 -10.555 -19.884 1.00 5.13 H new ATOM 0 HG22 THR A 103 19.673 -10.960 -19.636 1.00 5.13 H new ATOM 0 HG23 THR A 103 20.696 -12.006 -20.648 1.00 5.13 H new ATOM 1566 N HIS A 104 17.930 -8.615 -22.995 1.00 51.13 N ATOM 1567 CA HIS A 104 17.484 -7.624 -23.968 1.00 15.20 C ATOM 1568 C HIS A 104 17.270 -6.268 -23.303 1.00 13.43 C ATOM 1569 O HIS A 104 16.508 -6.149 -22.342 1.00 51.24 O ATOM 1570 CB HIS A 104 16.190 -8.085 -24.640 1.00 50.23 C ATOM 1571 CG HIS A 104 15.732 -7.179 -25.742 1.00 30.31 C ATOM 1572 ND1 HIS A 104 16.077 -7.368 -27.064 1.00 3.45 N ATOM 1573 CD2 HIS A 104 14.950 -6.075 -25.713 1.00 33.03 C ATOM 1574 CE1 HIS A 104 15.529 -6.417 -27.799 1.00 71.43 C ATOM 1575 NE2 HIS A 104 14.839 -5.620 -27.004 1.00 31.24 N ATOM 0 H HIS A 104 17.816 -8.332 -22.022 1.00 51.13 H new ATOM 0 HA HIS A 104 18.261 -7.519 -24.725 1.00 15.20 H new ATOM 0 HB2 HIS A 104 16.336 -9.088 -25.042 1.00 50.23 H new ATOM 0 HB3 HIS A 104 15.404 -8.155 -23.888 1.00 50.23 H new ATOM 0 HD2 HIS A 104 14.497 -5.634 -24.837 1.00 33.03 H new ATOM 0 HE1 HIS A 104 15.629 -6.310 -28.869 1.00 71.43 H new ATOM 0 HE2 HIS A 104 14.310 -4.800 -27.300 1.00 31.24 H new ATOM 1583 N HIS A 105 17.947 -5.247 -23.819 1.00 24.12 N ATOM 1584 CA HIS A 105 17.830 -3.899 -23.275 1.00 43.43 C ATOM 1585 C HIS A 105 16.479 -3.286 -23.629 1.00 52.44 C ATOM 1586 O HIS A 105 16.219 -2.959 -24.788 1.00 2.25 O ATOM 1587 CB HIS A 105 18.959 -3.013 -23.804 1.00 23.21 C ATOM 1588 CG HIS A 105 19.073 -3.016 -25.297 1.00 41.52 C ATOM 1589 ND1 HIS A 105 19.714 -4.013 -26.002 1.00 1.34 N ATOM 1590 CD2 HIS A 105 18.622 -2.135 -26.221 1.00 34.11 C ATOM 1591 CE1 HIS A 105 19.653 -3.745 -27.294 1.00 4.32 C ATOM 1592 NE2 HIS A 105 18.995 -2.611 -27.454 1.00 2.23 N ATOM 0 H HIS A 105 18.582 -5.328 -24.613 1.00 24.12 H new ATOM 0 HA HIS A 105 17.907 -3.964 -22.190 1.00 43.43 H new ATOM 0 HB2 HIS A 105 18.798 -1.991 -23.462 1.00 23.21 H new ATOM 0 HB3 HIS A 105 19.904 -3.347 -23.375 1.00 23.21 H new ATOM 0 HD2 HIS A 105 18.071 -1.227 -26.025 1.00 34.11 H new ATOM 0 HE1 HIS A 105 20.070 -4.350 -28.085 1.00 4.32 H new ATOM 0 HE2 HIS A 105 18.796 -2.162 -28.348 1.00 2.23 H new ATOM 1600 N TRP A 106 15.623 -3.134 -22.626 1.00 13.43 N ATOM 1601 CA TRP A 106 14.297 -2.561 -22.832 1.00 61.21 C ATOM 1602 C TRP A 106 14.013 -1.463 -21.813 1.00 25.43 C ATOM 1603 O TRP A 106 14.004 -1.710 -20.606 1.00 64.23 O ATOM 1604 CB TRP A 106 13.228 -3.651 -22.737 1.00 41.01 C ATOM 1605 CG TRP A 106 11.845 -3.154 -23.032 1.00 2.24 C ATOM 1606 CD1 TRP A 106 10.735 -3.307 -22.251 1.00 24.44 C ATOM 1607 CD2 TRP A 106 11.425 -2.424 -24.190 1.00 23.42 C ATOM 1608 NE1 TRP A 106 9.651 -2.718 -22.854 1.00 12.52 N ATOM 1609 CE2 TRP A 106 10.048 -2.168 -24.044 1.00 71.00 C ATOM 1610 CE3 TRP A 106 12.079 -1.961 -25.335 1.00 30.13 C ATOM 1611 CZ2 TRP A 106 9.315 -1.471 -25.001 1.00 44.30 C ATOM 1612 CZ3 TRP A 106 11.351 -1.269 -26.284 1.00 34.53 C ATOM 1613 CH2 TRP A 106 9.981 -1.029 -26.112 1.00 51.11 C ATOM 0 H TRP A 106 15.823 -3.399 -21.662 1.00 13.43 H new ATOM 0 HA TRP A 106 14.270 -2.121 -23.829 1.00 61.21 H new ATOM 0 HB2 TRP A 106 13.474 -4.453 -23.433 1.00 41.01 H new ATOM 0 HB3 TRP A 106 13.246 -4.081 -21.736 1.00 41.01 H new ATOM 0 HD1 TRP A 106 10.713 -3.816 -21.299 1.00 24.44 H new ATOM 0 HE1 TRP A 106 8.704 -2.694 -22.477 1.00 12.52 H new ATOM 0 HE3 TRP A 106 13.135 -2.141 -25.476 1.00 30.13 H new ATOM 0 HZ2 TRP A 106 8.259 -1.286 -24.871 1.00 44.30 H new ATOM 0 HZ3 TRP A 106 11.846 -0.907 -27.173 1.00 34.53 H new ATOM 0 HH2 TRP A 106 9.440 -0.484 -26.871 1.00 51.11 H new ATOM 1624 N HIS A 107 13.782 -0.250 -22.305 1.00 20.34 N ATOM 1625 CA HIS A 107 13.499 0.886 -21.435 1.00 43.11 C ATOM 1626 C HIS A 107 12.615 1.907 -22.145 1.00 60.31 C ATOM 1627 O HIS A 107 12.826 2.216 -23.318 1.00 71.40 O ATOM 1628 CB HIS A 107 14.802 1.548 -20.986 1.00 23.14 C ATOM 1629 CG HIS A 107 15.577 2.169 -22.107 1.00 74.03 C ATOM 1630 ND1 HIS A 107 15.782 3.528 -22.218 1.00 55.12 N ATOM 1631 CD2 HIS A 107 16.199 1.608 -23.170 1.00 51.14 C ATOM 1632 CE1 HIS A 107 16.495 3.776 -23.302 1.00 52.50 C ATOM 1633 NE2 HIS A 107 16.762 2.628 -23.898 1.00 14.15 N ATOM 0 H HIS A 107 13.785 -0.029 -23.301 1.00 20.34 H new ATOM 0 HA HIS A 107 12.966 0.517 -20.559 1.00 43.11 H new ATOM 0 HB2 HIS A 107 14.574 2.314 -20.245 1.00 23.14 H new ATOM 0 HB3 HIS A 107 15.427 0.803 -20.492 1.00 23.14 H new ATOM 0 HD2 HIS A 107 16.244 0.554 -23.403 1.00 51.14 H new ATOM 0 HE1 HIS A 107 16.807 4.752 -23.643 1.00 52.50 H new ATOM 0 HE2 HIS A 107 17.299 2.517 -24.758 1.00 14.15 H new ATOM 1641 N ARG A 108 11.625 2.426 -21.427 1.00 33.13 N ATOM 1642 CA ARG A 108 10.708 3.410 -21.989 1.00 13.12 C ATOM 1643 C ARG A 108 11.300 4.814 -21.906 1.00 53.14 C ATOM 1644 O ARG A 108 11.595 5.311 -20.820 1.00 15.43 O ATOM 1645 CB ARG A 108 9.366 3.367 -21.254 1.00 64.33 C ATOM 1646 CG ARG A 108 8.197 3.855 -22.093 1.00 73.21 C ATOM 1647 CD ARG A 108 8.004 5.357 -21.959 1.00 40.34 C ATOM 1648 NE ARG A 108 7.326 5.928 -23.121 1.00 23.34 N ATOM 1649 CZ ARG A 108 6.883 7.179 -23.172 1.00 23.13 C ATOM 1650 NH1 ARG A 108 7.046 7.986 -22.133 1.00 1.33 N ATOM 1651 NH2 ARG A 108 6.276 7.625 -24.264 1.00 43.01 N ATOM 0 H ARG A 108 11.437 2.181 -20.455 1.00 33.13 H new ATOM 0 HA ARG A 108 10.548 3.163 -23.038 1.00 13.12 H new ATOM 0 HB2 ARG A 108 9.170 2.344 -20.933 1.00 64.33 H new ATOM 0 HB3 ARG A 108 9.435 3.976 -20.353 1.00 64.33 H new ATOM 0 HG2 ARG A 108 8.367 3.601 -23.139 1.00 73.21 H new ATOM 0 HG3 ARG A 108 7.287 3.341 -21.784 1.00 73.21 H new ATOM 0 HD2 ARG A 108 7.424 5.569 -21.061 1.00 40.34 H new ATOM 0 HD3 ARG A 108 8.974 5.837 -21.833 1.00 40.34 H new ATOM 0 HE ARG A 108 7.185 5.333 -23.938 1.00 23.34 H new ATOM 0 HH11 ARG A 108 7.513 7.647 -21.292 1.00 1.33 H new ATOM 0 HH12 ARG A 108 6.705 8.946 -22.175 1.00 1.33 H new ATOM 0 HH21 ARG A 108 6.149 7.007 -25.065 1.00 43.01 H new ATOM 0 HH22 ARG A 108 5.936 8.586 -24.302 1.00 43.01 H new