USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 910 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 80 GLN : amide:sc= -1.5 K(o=-6,f=-0.22) USER MOD Set 1.2: A 83 GLN : amide:sc= -4.49! K(o=-6!,f=-0.22) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -83:sc= 0.521 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1 K(o=-1,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= 0.117 K(o=0.12,f=-0.5) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.118 (180deg=-0.637) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0443 (180deg=-0.308) USER MOD Single : A 48 TYR OH : rot 80:sc= -0.076 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 107:sc= 0.238 USER MOD Single : A 58 ASN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0485 (180deg=-0.262) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.079) USER MOD Single : A 71 SER OG : rot 81:sc= 1.07 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0432 (180deg=-0.308) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 98 GLN : amide:sc= -0.552 K(o=-0.55,f=-0.05) USER MOD Single : A 99 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=-0.0099) USER MOD Single : A 100 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-5.3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -169:sc= -1.26 (180deg=-1.53) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= -0.0912 (180deg=-0.348) USER MOD Single : A 124 MET CE :methyl 167:sc= -0.293 (180deg=-0.622) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.607 2.052 6.001 1.00 0.00 N ATOM 243 CA ALA A 19 18.777 3.247 6.111 1.00 0.00 C ATOM 244 C ALA A 19 17.874 3.415 4.893 1.00 0.00 C ATOM 245 O ALA A 19 16.849 4.094 4.960 1.00 0.00 O ATOM 246 CB ALA A 19 19.654 4.477 6.291 1.00 0.00 C ATOM 0 HA ALA A 19 18.137 3.132 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.025 5.364 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.249 4.370 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.317 4.580 5.432 1.00 0.00 H new ATOM 252 N GLU A 20 18.262 2.798 3.779 1.00 0.00 N ATOM 253 CA GLU A 20 17.493 2.893 2.541 1.00 0.00 C ATOM 254 C GLU A 20 16.046 2.455 2.751 1.00 0.00 C ATOM 255 O GLU A 20 15.117 3.163 2.363 1.00 0.00 O ATOM 256 CB GLU A 20 18.143 2.041 1.449 1.00 0.00 C ATOM 257 CG GLU A 20 17.435 2.130 0.107 1.00 0.00 C ATOM 258 CD GLU A 20 18.086 1.263 -0.954 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.054 1.731 -1.590 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.629 0.118 -1.147 1.00 0.00 O ATOM 0 H GLU A 20 19.104 2.227 3.709 1.00 0.00 H new ATOM 0 HA GLU A 20 17.489 3.937 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.180 2.353 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.160 1.000 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.394 1.829 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.430 3.167 -0.229 1.00 0.00 H new ATOM 267 N PHE A 21 15.854 1.287 3.362 1.00 0.00 N ATOM 268 CA PHE A 21 14.508 0.782 3.618 1.00 0.00 C ATOM 269 C PHE A 21 13.731 1.759 4.493 1.00 0.00 C ATOM 270 O PHE A 21 12.555 2.031 4.245 1.00 0.00 O ATOM 271 CB PHE A 21 14.565 -0.591 4.293 1.00 0.00 C ATOM 272 CG PHE A 21 13.268 -1.351 4.225 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.212 -1.025 5.062 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.107 -2.393 3.325 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.020 -1.723 5.001 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.917 -3.095 3.262 1.00 0.00 C ATOM 277 CZ PHE A 21 10.874 -2.760 4.101 1.00 0.00 C ATOM 0 H PHE A 21 16.606 0.678 3.686 1.00 0.00 H new ATOM 0 HA PHE A 21 13.996 0.680 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.349 -1.185 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.846 -0.461 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.322 -0.217 5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.920 -2.660 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.204 -1.457 5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.804 -3.905 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.945 -3.308 4.054 1.00 0.00 H new ATOM 287 N ASP A 22 14.397 2.284 5.519 1.00 0.00 N ATOM 288 CA ASP A 22 13.772 3.235 6.431 1.00 0.00 C ATOM 289 C ASP A 22 13.333 4.487 5.682 1.00 0.00 C ATOM 290 O ASP A 22 12.302 5.083 5.998 1.00 0.00 O ATOM 291 CB ASP A 22 14.742 3.612 7.552 1.00 0.00 C ATOM 292 CG ASP A 22 14.126 4.576 8.546 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.229 5.802 8.327 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.542 4.106 9.545 1.00 0.00 O ATOM 0 H ASP A 22 15.369 2.066 5.738 1.00 0.00 H new ATOM 0 HA ASP A 22 12.892 2.762 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.059 2.709 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.636 4.061 7.120 1.00 0.00 H new ATOM 299 N ALA A 23 14.123 4.879 4.689 1.00 0.00 N ATOM 300 CA ALA A 23 13.819 6.058 3.891 1.00 0.00 C ATOM 301 C ALA A 23 12.516 5.867 3.126 1.00 0.00 C ATOM 302 O ALA A 23 11.682 6.771 3.065 1.00 0.00 O ATOM 303 CB ALA A 23 14.960 6.352 2.930 1.00 0.00 C ATOM 0 H ALA A 23 14.980 4.396 4.418 1.00 0.00 H new ATOM 0 HA ALA A 23 13.700 6.908 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.720 7.236 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.875 6.531 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.105 5.500 2.266 1.00 0.00 H new ATOM 309 N VAL A 24 12.350 4.683 2.546 1.00 0.00 N ATOM 310 CA VAL A 24 11.146 4.367 1.790 1.00 0.00 C ATOM 311 C VAL A 24 9.909 4.504 2.670 1.00 0.00 C ATOM 312 O VAL A 24 8.888 5.044 2.243 1.00 0.00 O ATOM 313 CB VAL A 24 11.202 2.941 1.210 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.949 2.640 0.400 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.449 2.760 0.360 1.00 0.00 C ATOM 0 H VAL A 24 13.034 3.928 2.586 1.00 0.00 H new ATOM 0 HA VAL A 24 11.087 5.076 0.965 1.00 0.00 H new ATOM 0 HB VAL A 24 11.247 2.235 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.009 1.628 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.072 2.725 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.867 3.351 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.472 1.747 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.436 3.476 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.335 2.927 0.973 1.00 0.00 H new ATOM 325 N VAL A 25 10.009 4.010 3.901 1.00 0.00 N ATOM 326 CA VAL A 25 8.901 4.088 4.844 1.00 0.00 C ATOM 327 C VAL A 25 8.516 5.542 5.096 1.00 0.00 C ATOM 328 O VAL A 25 7.337 5.869 5.230 1.00 0.00 O ATOM 329 CB VAL A 25 9.252 3.418 6.188 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.056 3.442 7.129 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.731 1.992 5.964 1.00 0.00 C ATOM 0 H VAL A 25 10.844 3.553 4.267 1.00 0.00 H new ATOM 0 HA VAL A 25 8.060 3.556 4.399 1.00 0.00 H new ATOM 0 HB VAL A 25 10.061 3.982 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.325 2.964 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.761 4.474 7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.224 2.904 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.974 1.535 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.944 1.416 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.619 2.001 5.331 1.00 0.00 H new ATOM 341 N GLY A 26 9.524 6.407 5.155 1.00 0.00 N ATOM 342 CA GLY A 26 9.277 7.817 5.381 1.00 0.00 C ATOM 343 C GLY A 26 8.477 8.445 4.256 1.00 0.00 C ATOM 344 O GLY A 26 7.569 9.240 4.501 1.00 0.00 O ATOM 0 H GLY A 26 10.507 6.155 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.740 7.944 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.228 8.339 5.484 1.00 0.00 H new ATOM 348 N TYR A 27 8.816 8.088 3.019 1.00 0.00 N ATOM 349 CA TYR A 27 8.116 8.618 1.854 1.00 0.00 C ATOM 350 C TYR A 27 6.661 8.166 1.850 1.00 0.00 C ATOM 351 O TYR A 27 5.771 8.910 1.440 1.00 0.00 O ATOM 352 CB TYR A 27 8.803 8.170 0.562 1.00 0.00 C ATOM 353 CG TYR A 27 10.221 8.678 0.411 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.510 10.034 0.508 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.270 7.801 0.162 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.803 10.500 0.363 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.565 8.259 0.018 1.00 0.00 C ATOM 358 CZ TYR A 27 12.826 9.609 0.119 1.00 0.00 C ATOM 359 OH TYR A 27 14.114 10.071 -0.025 1.00 0.00 O ATOM 0 H TYR A 27 9.569 7.436 2.799 1.00 0.00 H new ATOM 0 HA TYR A 27 8.146 9.706 1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.812 7.081 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.213 8.512 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.711 10.735 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.069 6.743 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.011 11.557 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.369 7.563 -0.173 1.00 0.00 H new ATOM 0 HH TYR A 27 14.716 9.316 -0.191 1.00 0.00 H new ATOM 369 N LEU A 28 6.427 6.939 2.309 1.00 0.00 N ATOM 370 CA LEU A 28 5.078 6.385 2.360 1.00 0.00 C ATOM 371 C LEU A 28 4.190 7.204 3.289 1.00 0.00 C ATOM 372 O LEU A 28 3.073 7.572 2.929 1.00 0.00 O ATOM 373 CB LEU A 28 5.114 4.929 2.830 1.00 0.00 C ATOM 374 CG LEU A 28 5.814 3.952 1.882 1.00 0.00 C ATOM 375 CD1 LEU A 28 5.883 2.567 2.507 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.096 3.896 0.539 1.00 0.00 C ATOM 0 H LEU A 28 7.154 6.310 2.651 1.00 0.00 H new ATOM 0 HA LEU A 28 4.661 6.424 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.612 4.889 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.090 4.589 2.984 1.00 0.00 H new ATOM 0 HG LEU A 28 6.830 4.308 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.383 1.883 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.442 2.617 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.874 2.207 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.610 3.196 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.068 3.565 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.095 4.887 0.085 1.00 0.00 H new ATOM 388 N GLU A 29 4.694 7.484 4.487 1.00 0.00 N ATOM 389 CA GLU A 29 3.945 8.262 5.467 1.00 0.00 C ATOM 390 C GLU A 29 3.628 9.650 4.923 1.00 0.00 C ATOM 391 O GLU A 29 2.572 10.214 5.209 1.00 0.00 O ATOM 392 CB GLU A 29 4.736 8.382 6.771 1.00 0.00 C ATOM 393 CG GLU A 29 5.027 7.046 7.435 1.00 0.00 C ATOM 394 CD GLU A 29 5.715 7.200 8.776 1.00 0.00 C ATOM 395 OE1 GLU A 29 6.960 7.304 8.797 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.011 7.217 9.807 1.00 0.00 O ATOM 0 H GLU A 29 5.617 7.184 4.802 1.00 0.00 H new ATOM 0 HA GLU A 29 3.008 7.743 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.679 8.890 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.179 9.010 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.093 6.501 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.654 6.446 6.776 1.00 0.00 H new ATOM 403 N ASP A 30 4.551 10.191 4.135 1.00 0.00 N ATOM 404 CA ASP A 30 4.376 11.512 3.545 1.00 0.00 C ATOM 405 C ASP A 30 3.216 11.517 2.552 1.00 0.00 C ATOM 406 O ASP A 30 2.518 12.520 2.403 1.00 0.00 O ATOM 407 CB ASP A 30 5.662 11.952 2.844 1.00 0.00 C ATOM 408 CG ASP A 30 5.535 13.319 2.205 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.130 13.388 1.025 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.840 14.323 2.883 1.00 0.00 O ATOM 0 H ASP A 30 5.429 9.734 3.890 1.00 0.00 H new ATOM 0 HA ASP A 30 4.147 12.213 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.479 11.966 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.924 11.220 2.080 1.00 0.00 H new ATOM 415 N ILE A 31 3.017 10.389 1.876 1.00 0.00 N ATOM 416 CA ILE A 31 1.943 10.265 0.898 1.00 0.00 C ATOM 417 C ILE A 31 0.600 10.038 1.584 1.00 0.00 C ATOM 418 O ILE A 31 -0.418 10.587 1.166 1.00 0.00 O ATOM 419 CB ILE A 31 2.211 9.108 -0.088 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.541 9.328 -0.814 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.070 8.986 -1.091 1.00 0.00 C ATOM 422 CD1 ILE A 31 3.991 8.137 -1.632 1.00 0.00 C ATOM 0 H ILE A 31 3.585 9.549 1.988 1.00 0.00 H new ATOM 0 HA ILE A 31 1.909 11.202 0.343 1.00 0.00 H new ATOM 0 HB ILE A 31 2.272 8.178 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.448 10.194 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.311 9.565 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.276 8.165 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.138 8.790 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.979 9.916 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.940 8.366 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.117 7.274 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.241 7.912 -2.390 1.00 0.00 H new ATOM 434 N ILE A 32 0.605 9.232 2.640 1.00 0.00 N ATOM 435 CA ILE A 32 -0.619 8.936 3.379 1.00 0.00 C ATOM 436 C ILE A 32 -1.226 10.204 3.971 1.00 0.00 C ATOM 437 O ILE A 32 -2.448 10.346 4.038 1.00 0.00 O ATOM 438 CB ILE A 32 -0.363 7.917 4.507 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.194 6.614 3.927 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.645 7.652 5.286 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.607 5.606 4.978 1.00 0.00 C ATOM 0 H ILE A 32 1.440 8.773 3.004 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.322 8.503 2.667 1.00 0.00 H new ATOM 0 HB ILE A 32 0.374 8.334 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.559 6.163 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.055 6.845 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.447 6.930 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.003 8.583 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.404 7.252 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.991 4.710 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.383 6.037 5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.256 5.345 5.591 1.00 0.00 H new ATOM 453 N MET A 33 -0.368 11.127 4.396 1.00 0.00 N ATOM 454 CA MET A 33 -0.825 12.381 4.984 1.00 0.00 C ATOM 455 C MET A 33 -0.920 13.482 3.931 1.00 0.00 C ATOM 456 O MET A 33 -1.249 14.626 4.244 1.00 0.00 O ATOM 457 CB MET A 33 0.116 12.812 6.111 1.00 0.00 C ATOM 458 CG MET A 33 0.117 11.858 7.295 1.00 0.00 C ATOM 459 SD MET A 33 1.273 12.354 8.587 1.00 0.00 S ATOM 460 CE MET A 33 0.995 11.067 9.801 1.00 0.00 C ATOM 0 H MET A 33 0.646 11.030 4.344 1.00 0.00 H new ATOM 0 HA MET A 33 -1.821 12.216 5.394 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.129 12.892 5.718 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.172 13.806 6.455 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.888 11.804 7.714 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.373 10.856 6.949 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.640 11.235 10.664 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.048 11.085 10.118 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.223 10.096 9.361 1.00 0.00 H new ATOM 470 N ASP A 34 -0.630 13.129 2.682 1.00 0.00 N ATOM 471 CA ASP A 34 -0.689 14.089 1.583 1.00 0.00 C ATOM 472 C ASP A 34 -2.134 14.476 1.283 1.00 0.00 C ATOM 473 O ASP A 34 -3.002 13.614 1.150 1.00 0.00 O ATOM 474 CB ASP A 34 -0.031 13.507 0.332 1.00 0.00 C ATOM 475 CG ASP A 34 -0.001 14.495 -0.818 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.974 15.271 -0.909 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.952 14.493 -1.626 1.00 0.00 O ATOM 0 H ASP A 34 -0.352 12.187 2.405 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.145 14.985 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.987 13.200 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.571 12.611 0.024 1.00 0.00 H new ATOM 482 N ASP A 35 -2.380 15.778 1.174 1.00 0.00 N ATOM 483 CA ASP A 35 -3.720 16.292 0.899 1.00 0.00 C ATOM 484 C ASP A 35 -4.332 15.639 -0.338 1.00 0.00 C ATOM 485 O ASP A 35 -5.440 15.106 -0.284 1.00 0.00 O ATOM 486 CB ASP A 35 -3.674 17.809 0.711 1.00 0.00 C ATOM 487 CG ASP A 35 -3.143 18.528 1.936 1.00 0.00 C ATOM 488 OD1 ASP A 35 -3.956 18.883 2.816 1.00 0.00 O ATOM 489 OD2 ASP A 35 -1.914 18.737 2.016 1.00 0.00 O ATOM 0 H ASP A 35 -1.666 16.500 1.272 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.348 16.048 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.046 18.047 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.675 18.175 0.484 1.00 0.00 H new ATOM 494 N GLU A 36 -3.606 15.687 -1.451 1.00 0.00 N ATOM 495 CA GLU A 36 -4.081 15.105 -2.701 1.00 0.00 C ATOM 496 C GLU A 36 -4.418 13.627 -2.525 1.00 0.00 C ATOM 497 O GLU A 36 -5.323 13.106 -3.180 1.00 0.00 O ATOM 498 CB GLU A 36 -3.031 15.274 -3.802 1.00 0.00 C ATOM 499 CG GLU A 36 -3.488 14.776 -5.162 1.00 0.00 C ATOM 500 CD GLU A 36 -4.739 15.478 -5.653 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.628 16.627 -6.129 1.00 0.00 O ATOM 502 OE2 GLU A 36 -5.832 14.879 -5.558 1.00 0.00 O ATOM 0 H GLU A 36 -2.686 16.123 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.990 15.632 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.766 16.328 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.126 14.739 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.686 14.923 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.676 13.704 -5.107 1.00 0.00 H new ATOM 509 N PHE A 37 -3.691 12.958 -1.638 1.00 0.00 N ATOM 510 CA PHE A 37 -3.916 11.540 -1.379 1.00 0.00 C ATOM 511 C PHE A 37 -5.197 11.329 -0.578 1.00 0.00 C ATOM 512 O PHE A 37 -5.895 10.331 -0.760 1.00 0.00 O ATOM 513 CB PHE A 37 -2.726 10.941 -0.631 1.00 0.00 C ATOM 514 CG PHE A 37 -2.891 9.483 -0.301 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.653 8.511 -1.259 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.282 9.086 0.968 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.802 7.170 -0.959 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.433 7.746 1.274 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.192 6.787 0.309 1.00 0.00 C ATOM 0 H PHE A 37 -2.941 13.374 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.023 11.034 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.827 11.068 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.571 11.498 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.347 8.805 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.471 9.831 1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.614 6.423 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.739 7.449 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.308 5.740 0.546 1.00 0.00 H new ATOM 529 N GLN A 38 -5.498 12.269 0.313 1.00 0.00 N ATOM 530 CA GLN A 38 -6.700 12.184 1.136 1.00 0.00 C ATOM 531 C GLN A 38 -7.950 12.180 0.264 1.00 0.00 C ATOM 532 O GLN A 38 -8.830 11.335 0.425 1.00 0.00 O ATOM 533 CB GLN A 38 -6.754 13.355 2.120 1.00 0.00 C ATOM 534 CG GLN A 38 -5.581 13.397 3.087 1.00 0.00 C ATOM 535 CD GLN A 38 -5.637 12.296 4.130 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.155 11.209 3.878 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.103 12.577 5.312 1.00 0.00 N ATOM 0 H GLN A 38 -4.927 13.097 0.483 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.664 11.250 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.784 14.289 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.681 13.296 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.650 13.312 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.564 14.365 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.684 13.492 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.112 11.878 6.055 1.00 0.00 H new ATOM 546 N LEU A 39 -8.018 13.132 -0.661 1.00 0.00 N ATOM 547 CA LEU A 39 -9.155 13.237 -1.567 1.00 0.00 C ATOM 548 C LEU A 39 -9.225 12.024 -2.488 1.00 0.00 C ATOM 549 O LEU A 39 -10.307 11.538 -2.809 1.00 0.00 O ATOM 550 CB LEU A 39 -9.051 14.521 -2.395 1.00 0.00 C ATOM 551 CG LEU A 39 -9.985 14.597 -3.605 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.440 14.570 -3.164 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.693 15.846 -4.421 1.00 0.00 C ATOM 0 H LEU A 39 -7.299 13.841 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.068 13.270 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.257 15.371 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.023 14.627 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.806 13.725 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.087 14.625 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.639 13.645 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.639 15.421 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.365 15.886 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.843 16.729 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.661 15.819 -4.770 1.00 0.00 H new ATOM 565 N LEU A 40 -8.061 11.543 -2.906 1.00 0.00 N ATOM 566 CA LEU A 40 -7.975 10.387 -3.794 1.00 0.00 C ATOM 567 C LEU A 40 -8.580 9.141 -3.151 1.00 0.00 C ATOM 568 O LEU A 40 -9.428 8.474 -3.743 1.00 0.00 O ATOM 569 CB LEU A 40 -6.511 10.124 -4.159 1.00 0.00 C ATOM 570 CG LEU A 40 -6.252 8.846 -4.962 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.768 8.988 -6.385 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.768 8.514 -4.964 1.00 0.00 C ATOM 0 H LEU A 40 -7.158 11.937 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.546 10.610 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.139 10.974 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.928 10.079 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.791 8.027 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.573 8.068 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.841 9.179 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.261 9.819 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.600 7.603 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.212 9.336 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.427 8.365 -3.939 1.00 0.00 H new ATOM 584 N GLN A 41 -8.139 8.836 -1.937 1.00 0.00 N ATOM 585 CA GLN A 41 -8.615 7.658 -1.217 1.00 0.00 C ATOM 586 C GLN A 41 -10.114 7.724 -0.928 1.00 0.00 C ATOM 587 O GLN A 41 -10.861 6.812 -1.278 1.00 0.00 O ATOM 588 CB GLN A 41 -7.844 7.504 0.096 1.00 0.00 C ATOM 589 CG GLN A 41 -8.233 6.271 0.894 1.00 0.00 C ATOM 590 CD GLN A 41 -7.437 6.134 2.178 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.280 6.546 2.251 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.057 5.558 3.201 1.00 0.00 N ATOM 0 H GLN A 41 -7.450 9.389 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.440 6.793 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.777 7.462 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.009 8.390 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.296 6.317 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.082 5.383 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.017 5.231 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.573 5.443 4.091 1.00 0.00 H new ATOM 601 N ARG A 42 -10.549 8.808 -0.295 1.00 0.00 N ATOM 602 CA ARG A 42 -11.956 8.977 0.064 1.00 0.00 C ATOM 603 C ARG A 42 -12.873 8.979 -1.159 1.00 0.00 C ATOM 604 O ARG A 42 -13.931 8.348 -1.149 1.00 0.00 O ATOM 605 CB ARG A 42 -12.143 10.276 0.852 1.00 0.00 C ATOM 606 CG ARG A 42 -11.306 10.345 2.120 1.00 0.00 C ATOM 607 CD ARG A 42 -11.754 9.312 3.144 1.00 0.00 C ATOM 608 NE ARG A 42 -10.887 9.295 4.320 1.00 0.00 N ATOM 609 CZ ARG A 42 -11.167 8.620 5.432 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.286 7.913 5.520 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.325 8.652 6.456 1.00 0.00 N ATOM 0 H ARG A 42 -9.948 9.585 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.236 8.123 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.887 11.120 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.195 10.383 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.257 10.182 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.381 11.343 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.778 9.526 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.760 8.324 2.684 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.019 9.830 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.935 7.886 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.497 7.397 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.463 9.194 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.539 8.135 7.309 1.00 0.00 H new ATOM 625 N ASN A 43 -12.465 9.688 -2.206 1.00 0.00 N ATOM 626 CA ASN A 43 -13.267 9.787 -3.425 1.00 0.00 C ATOM 627 C ASN A 43 -13.576 8.416 -4.025 1.00 0.00 C ATOM 628 O ASN A 43 -14.727 8.119 -4.344 1.00 0.00 O ATOM 629 CB ASN A 43 -12.550 10.655 -4.461 1.00 0.00 C ATOM 630 CG ASN A 43 -13.384 10.883 -5.706 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.613 10.844 -5.661 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.716 11.131 -6.826 1.00 0.00 N ATOM 0 H ASN A 43 -11.585 10.203 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.215 10.250 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.301 11.617 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.610 10.180 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.222 11.299 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.696 11.154 -6.817 1.00 0.00 H new ATOM 639 N PHE A 44 -12.550 7.584 -4.174 1.00 0.00 N ATOM 640 CA PHE A 44 -12.730 6.255 -4.752 1.00 0.00 C ATOM 641 C PHE A 44 -13.424 5.302 -3.781 1.00 0.00 C ATOM 642 O PHE A 44 -14.210 4.450 -4.199 1.00 0.00 O ATOM 643 CB PHE A 44 -11.387 5.679 -5.205 1.00 0.00 C ATOM 644 CG PHE A 44 -10.945 6.208 -6.541 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.195 7.369 -6.629 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.290 5.547 -7.709 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.795 7.860 -7.857 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.895 6.034 -8.940 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.146 7.192 -9.013 1.00 0.00 C ATOM 0 H PHE A 44 -11.591 7.804 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.377 6.362 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.627 5.911 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.462 4.593 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.920 7.896 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.875 4.640 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.209 8.765 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.171 5.510 -9.843 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.835 7.575 -9.974 1.00 0.00 H new ATOM 659 N MET A 45 -13.136 5.441 -2.491 1.00 0.00 N ATOM 660 CA MET A 45 -13.755 4.586 -1.482 1.00 0.00 C ATOM 661 C MET A 45 -15.267 4.788 -1.466 1.00 0.00 C ATOM 662 O MET A 45 -16.018 3.905 -1.054 1.00 0.00 O ATOM 663 CB MET A 45 -13.172 4.872 -0.096 1.00 0.00 C ATOM 664 CG MET A 45 -11.795 4.267 0.120 1.00 0.00 C ATOM 665 SD MET A 45 -11.181 4.514 1.798 1.00 0.00 S ATOM 666 CE MET A 45 -12.360 3.549 2.739 1.00 0.00 C ATOM 0 H MET A 45 -12.483 6.132 -2.121 1.00 0.00 H new ATOM 0 HA MET A 45 -13.541 3.549 -1.740 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.113 5.951 0.049 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.853 4.486 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.834 3.199 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.094 4.709 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.950 3.336 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.288 4.111 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.561 2.612 2.219 1.00 0.00 H new ATOM 676 N ASP A 46 -15.702 5.960 -1.917 1.00 0.00 N ATOM 677 CA ASP A 46 -17.122 6.287 -1.971 1.00 0.00 C ATOM 678 C ASP A 46 -17.878 5.287 -2.841 1.00 0.00 C ATOM 679 O ASP A 46 -19.061 5.028 -2.624 1.00 0.00 O ATOM 680 CB ASP A 46 -17.320 7.703 -2.515 1.00 0.00 C ATOM 681 CG ASP A 46 -18.781 8.099 -2.576 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.427 7.831 -3.610 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.281 8.679 -1.588 1.00 0.00 O ATOM 0 H ASP A 46 -15.088 6.702 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.520 6.235 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.781 8.410 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.886 7.770 -3.513 1.00 0.00 H new ATOM 688 N LYS A 47 -17.191 4.742 -3.838 1.00 0.00 N ATOM 689 CA LYS A 47 -17.794 3.774 -4.749 1.00 0.00 C ATOM 690 C LYS A 47 -17.543 2.344 -4.281 1.00 0.00 C ATOM 691 O LYS A 47 -18.469 1.539 -4.179 1.00 0.00 O ATOM 692 CB LYS A 47 -17.226 3.956 -6.156 1.00 0.00 C ATOM 693 CG LYS A 47 -17.938 3.134 -7.219 1.00 0.00 C ATOM 694 CD LYS A 47 -19.344 3.650 -7.481 1.00 0.00 C ATOM 695 CE LYS A 47 -20.046 2.834 -8.553 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.317 2.874 -9.851 1.00 0.00 N ATOM 0 H LYS A 47 -16.213 4.954 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.870 3.950 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.284 5.010 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.170 3.686 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.363 3.159 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.986 2.092 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.923 3.615 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.298 4.694 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.137 1.800 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.058 3.214 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.939 2.529 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.029 3.852 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.473 2.269 -9.794 1.00 0.00 H new ATOM 710 N TYR A 48 -16.281 2.042 -3.998 1.00 0.00 N ATOM 711 CA TYR A 48 -15.877 0.707 -3.558 1.00 0.00 C ATOM 712 C TYR A 48 -16.670 0.229 -2.342 1.00 0.00 C ATOM 713 O TYR A 48 -17.198 -0.882 -2.342 1.00 0.00 O ATOM 714 CB TYR A 48 -14.381 0.685 -3.238 1.00 0.00 C ATOM 715 CG TYR A 48 -13.492 0.604 -4.461 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.493 1.615 -5.415 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.650 -0.483 -4.658 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.679 1.543 -6.530 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.833 -0.563 -5.769 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.852 0.454 -6.702 1.00 0.00 C ATOM 721 OH TYR A 48 -11.040 0.379 -7.811 1.00 0.00 O ATOM 0 H TYR A 48 -15.512 2.709 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.090 0.023 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.127 1.583 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.171 -0.167 -2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.140 2.470 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.634 -1.280 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.691 2.336 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.184 -1.415 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.244 0.933 -7.671 1.00 0.00 H new ATOM 731 N TYR A 49 -16.751 1.064 -1.309 1.00 0.00 N ATOM 732 CA TYR A 49 -17.466 0.698 -0.085 1.00 0.00 C ATOM 733 C TYR A 49 -18.893 0.239 -0.389 1.00 0.00 C ATOM 734 O TYR A 49 -19.440 -0.618 0.307 1.00 0.00 O ATOM 735 CB TYR A 49 -17.482 1.876 0.904 1.00 0.00 C ATOM 736 CG TYR A 49 -18.788 2.646 0.944 1.00 0.00 C ATOM 737 CD1 TYR A 49 -19.157 3.482 -0.100 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.650 2.532 2.029 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.348 4.184 -0.067 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.843 3.231 2.070 1.00 0.00 C ATOM 741 CZ TYR A 49 -21.186 4.055 1.020 1.00 0.00 C ATOM 742 OH TYR A 49 -22.371 4.752 1.056 1.00 0.00 O ATOM 0 H TYR A 49 -16.333 1.994 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.935 -0.137 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.267 1.498 1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.677 2.564 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.503 3.586 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.384 1.887 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.620 4.830 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.502 3.132 2.920 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.845 4.549 1.890 1.00 0.00 H new ATOM 752 N LEU A 50 -19.487 0.811 -1.429 1.00 0.00 N ATOM 753 CA LEU A 50 -20.848 0.467 -1.819 1.00 0.00 C ATOM 754 C LEU A 50 -20.873 -0.815 -2.651 1.00 0.00 C ATOM 755 O LEU A 50 -21.834 -1.582 -2.597 1.00 0.00 O ATOM 756 CB LEU A 50 -21.479 1.638 -2.573 1.00 0.00 C ATOM 757 CG LEU A 50 -21.779 1.408 -4.050 1.00 0.00 C ATOM 758 CD1 LEU A 50 -23.121 0.711 -4.224 1.00 0.00 C ATOM 759 CD2 LEU A 50 -21.765 2.734 -4.780 1.00 0.00 C ATOM 0 H LEU A 50 -19.046 1.517 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.437 0.277 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -22.410 1.905 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -20.814 2.497 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 50 -21.011 0.761 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.316 0.556 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -23.099 -0.253 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.910 1.329 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.979 2.570 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.522 3.392 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -20.783 3.196 -4.677 1.00 0.00 H new ATOM 771 N GLU A 51 -19.807 -1.045 -3.411 1.00 0.00 N ATOM 772 CA GLU A 51 -19.708 -2.234 -4.250 1.00 0.00 C ATOM 773 C GLU A 51 -19.532 -3.487 -3.399 1.00 0.00 C ATOM 774 O GLU A 51 -20.172 -4.511 -3.645 1.00 0.00 O ATOM 775 CB GLU A 51 -18.538 -2.099 -5.227 1.00 0.00 C ATOM 776 CG GLU A 51 -18.708 -0.970 -6.229 1.00 0.00 C ATOM 777 CD GLU A 51 -17.507 -0.811 -7.138 1.00 0.00 C ATOM 778 OE1 GLU A 51 -16.557 -0.099 -6.748 1.00 0.00 O ATOM 779 OE2 GLU A 51 -17.515 -1.396 -8.242 1.00 0.00 O ATOM 0 H GLU A 51 -19.000 -0.424 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.635 -2.327 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.621 -1.936 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.417 -3.038 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.595 -1.157 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.879 -0.036 -5.693 1.00 0.00 H new ATOM 786 N PHE A 52 -18.666 -3.400 -2.394 1.00 0.00 N ATOM 787 CA PHE A 52 -18.407 -4.529 -1.509 1.00 0.00 C ATOM 788 C PHE A 52 -19.546 -4.716 -0.514 1.00 0.00 C ATOM 789 O PHE A 52 -19.523 -4.167 0.587 1.00 0.00 O ATOM 790 CB PHE A 52 -17.085 -4.334 -0.765 1.00 0.00 C ATOM 791 CG PHE A 52 -15.876 -4.590 -1.619 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.449 -3.648 -2.541 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.167 -5.774 -1.500 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.338 -3.882 -3.328 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.055 -6.014 -2.283 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.640 -5.067 -3.198 1.00 0.00 C ATOM 0 H PHE A 52 -18.132 -2.559 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.337 -5.427 -2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.040 -3.315 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.060 -5.001 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.991 -2.720 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.488 -6.518 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.016 -3.140 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.511 -6.941 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.771 -5.252 -3.811 1.00 0.00 H new ATOM 806 N GLU A 53 -20.548 -5.491 -0.918 1.00 0.00 N ATOM 807 CA GLU A 53 -21.700 -5.760 -0.068 1.00 0.00 C ATOM 808 C GLU A 53 -21.463 -6.998 0.789 1.00 0.00 C ATOM 809 O GLU A 53 -20.865 -7.974 0.335 1.00 0.00 O ATOM 810 CB GLU A 53 -22.955 -5.950 -0.922 1.00 0.00 C ATOM 811 CG GLU A 53 -23.296 -4.740 -1.776 1.00 0.00 C ATOM 812 CD GLU A 53 -24.521 -4.964 -2.640 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.362 -5.443 -3.782 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.641 -4.661 -2.174 1.00 0.00 O ATOM 0 H GLU A 53 -20.584 -5.944 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.843 -4.904 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.816 -6.815 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.799 -6.173 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.465 -3.879 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.445 -4.498 -2.413 1.00 0.00 H new ATOM 821 N ASP A 54 -21.932 -6.952 2.032 1.00 0.00 N ATOM 822 CA ASP A 54 -21.773 -8.073 2.949 1.00 0.00 C ATOM 823 C ASP A 54 -22.661 -9.241 2.535 1.00 0.00 C ATOM 824 O ASP A 54 -23.847 -9.278 2.865 1.00 0.00 O ATOM 825 CB ASP A 54 -22.105 -7.643 4.379 1.00 0.00 C ATOM 826 CG ASP A 54 -21.879 -8.753 5.385 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.818 -9.541 5.622 1.00 0.00 O ATOM 828 OD2 ASP A 54 -20.761 -8.835 5.938 1.00 0.00 O ATOM 0 H ASP A 54 -22.425 -6.151 2.426 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.733 -8.398 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.492 -6.783 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.145 -7.320 4.426 1.00 0.00 H new ATOM 833 N THR A 55 -22.084 -10.190 1.804 1.00 0.00 N ATOM 834 CA THR A 55 -22.824 -11.359 1.346 1.00 0.00 C ATOM 835 C THR A 55 -22.036 -12.640 1.599 1.00 0.00 C ATOM 836 O THR A 55 -20.880 -12.595 2.021 1.00 0.00 O ATOM 837 CB THR A 55 -23.155 -11.263 -0.157 1.00 0.00 C ATOM 838 OG1 THR A 55 -21.948 -11.159 -0.920 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.045 -10.062 -0.441 1.00 0.00 C ATOM 0 H THR A 55 -21.106 -10.171 1.516 1.00 0.00 H new ATOM 0 HA THR A 55 -23.754 -11.387 1.914 1.00 0.00 H new ATOM 0 HB THR A 55 -23.690 -12.168 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.784 -12.003 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.264 -10.016 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.976 -10.159 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.533 -9.149 -0.136 1.00 0.00 H new ATOM 847 N GLU A 56 -22.669 -13.779 1.338 1.00 0.00 N ATOM 848 CA GLU A 56 -22.029 -15.075 1.537 1.00 0.00 C ATOM 849 C GLU A 56 -21.498 -15.630 0.219 1.00 0.00 C ATOM 850 O GLU A 56 -20.563 -16.431 0.203 1.00 0.00 O ATOM 851 CB GLU A 56 -23.016 -16.066 2.159 1.00 0.00 C ATOM 852 CG GLU A 56 -23.547 -15.627 3.514 1.00 0.00 C ATOM 853 CD GLU A 56 -24.536 -16.615 4.101 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.098 -17.539 4.818 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.750 -16.466 3.841 1.00 0.00 O ATOM 0 H GLU A 56 -23.626 -13.831 0.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.188 -14.934 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.855 -16.206 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.527 -17.034 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.712 -15.501 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.027 -14.654 3.414 1.00 0.00 H new ATOM 862 N GLU A 57 -22.100 -15.196 -0.884 1.00 0.00 N ATOM 863 CA GLU A 57 -21.690 -15.650 -2.210 1.00 0.00 C ATOM 864 C GLU A 57 -20.740 -14.649 -2.861 1.00 0.00 C ATOM 865 O GLU A 57 -20.874 -13.439 -2.676 1.00 0.00 O ATOM 866 CB GLU A 57 -22.916 -15.858 -3.101 1.00 0.00 C ATOM 867 CG GLU A 57 -23.876 -16.912 -2.577 1.00 0.00 C ATOM 868 CD GLU A 57 -25.092 -17.085 -3.465 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.011 -17.866 -4.436 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.124 -16.437 -3.191 1.00 0.00 O ATOM 0 H GLU A 57 -22.873 -14.531 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.165 -16.598 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.447 -14.912 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -22.585 -16.144 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.353 -17.865 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.200 -16.637 -1.573 1.00 0.00 H new ATOM 877 N ASN A 58 -19.779 -15.164 -3.622 1.00 0.00 N ATOM 878 CA ASN A 58 -18.808 -14.316 -4.305 1.00 0.00 C ATOM 879 C ASN A 58 -19.213 -14.094 -5.758 1.00 0.00 C ATOM 880 O ASN A 58 -19.942 -14.900 -6.338 1.00 0.00 O ATOM 881 CB ASN A 58 -17.415 -14.945 -4.241 1.00 0.00 C ATOM 882 CG ASN A 58 -16.959 -15.194 -2.817 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.336 -14.337 -2.191 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.268 -16.377 -2.298 1.00 0.00 N ATOM 0 H ASN A 58 -19.652 -16.163 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.785 -13.350 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.419 -15.888 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.700 -14.290 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.987 -16.604 -1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.786 -17.058 -2.853 1.00 0.00 H new ATOM 891 N LYS A 59 -18.739 -12.997 -6.341 1.00 0.00 N ATOM 892 CA LYS A 59 -19.057 -12.672 -7.726 1.00 0.00 C ATOM 893 C LYS A 59 -17.787 -12.486 -8.548 1.00 0.00 C ATOM 894 O LYS A 59 -16.703 -12.287 -7.999 1.00 0.00 O ATOM 895 CB LYS A 59 -19.911 -11.404 -7.795 1.00 0.00 C ATOM 896 CG LYS A 59 -21.221 -11.507 -7.030 1.00 0.00 C ATOM 897 CD LYS A 59 -22.024 -10.219 -7.128 1.00 0.00 C ATOM 898 CE LYS A 59 -23.332 -10.315 -6.358 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.187 -11.431 -6.849 1.00 0.00 N ATOM 0 H LYS A 59 -18.134 -12.320 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.622 -13.505 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.335 -10.567 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.127 -11.178 -8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -21.810 -12.335 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.016 -11.731 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.432 -9.390 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.233 -9.998 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.119 -10.460 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.876 -9.375 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.146 -11.331 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.230 -11.404 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.782 -12.339 -6.543 1.00 0.00 H new ATOM 913 N LEU A 60 -17.927 -12.555 -9.868 1.00 0.00 N ATOM 914 CA LEU A 60 -16.792 -12.390 -10.769 1.00 0.00 C ATOM 915 C LEU A 60 -16.460 -10.912 -10.956 1.00 0.00 C ATOM 916 O LEU A 60 -15.364 -10.564 -11.392 1.00 0.00 O ATOM 917 CB LEU A 60 -17.093 -13.032 -12.126 1.00 0.00 C ATOM 918 CG LEU A 60 -15.919 -13.058 -13.108 1.00 0.00 C ATOM 919 CD1 LEU A 60 -14.821 -13.981 -12.602 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.388 -13.490 -14.489 1.00 0.00 C ATOM 0 H LEU A 60 -18.816 -12.724 -10.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.930 -12.886 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.430 -14.055 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.921 -12.495 -12.588 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.511 -12.050 -13.184 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.995 -13.987 -13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.465 -13.627 -11.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.215 -14.992 -12.496 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.540 -13.503 -15.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.822 -14.488 -14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.139 -12.789 -14.854 1.00 0.00 H new ATOM 932 N ILE A 61 -17.415 -10.049 -10.619 1.00 0.00 N ATOM 933 CA ILE A 61 -17.231 -8.607 -10.752 1.00 0.00 C ATOM 934 C ILE A 61 -16.141 -8.102 -9.808 1.00 0.00 C ATOM 935 O ILE A 61 -15.610 -7.001 -9.980 1.00 0.00 O ATOM 936 CB ILE A 61 -18.547 -7.847 -10.469 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.383 -6.350 -10.752 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.992 -8.068 -9.030 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.049 -6.035 -12.193 1.00 0.00 C ATOM 0 H ILE A 61 -18.326 -10.324 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.927 -8.416 -11.781 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.315 -8.239 -11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.305 -5.835 -10.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.596 -5.952 -10.111 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.920 -7.526 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.154 -9.132 -8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.221 -7.705 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.948 -4.957 -12.316 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.111 -6.520 -12.464 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.846 -6.401 -12.840 1.00 0.00 H new ATOM 951 N TYR A 62 -15.800 -8.919 -8.820 1.00 0.00 N ATOM 952 CA TYR A 62 -14.777 -8.554 -7.851 1.00 0.00 C ATOM 953 C TYR A 62 -13.384 -8.578 -8.473 1.00 0.00 C ATOM 954 O TYR A 62 -12.451 -7.977 -7.941 1.00 0.00 O ATOM 955 CB TYR A 62 -14.826 -9.492 -6.644 1.00 0.00 C ATOM 956 CG TYR A 62 -15.971 -9.198 -5.701 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.860 -8.201 -4.740 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.159 -9.913 -5.771 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.901 -7.925 -3.876 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.206 -9.643 -4.908 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.071 -8.648 -3.963 1.00 0.00 C ATOM 962 OH TYR A 62 -19.111 -8.375 -3.104 1.00 0.00 O ATOM 0 H TYR A 62 -16.217 -9.838 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.983 -7.536 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.910 -10.520 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.886 -9.417 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.945 -7.633 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.268 -10.692 -6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.799 -7.146 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.124 -10.208 -4.974 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.862 -8.973 -3.299 1.00 0.00 H new ATOM 972 N THR A 63 -13.242 -9.272 -9.601 1.00 0.00 N ATOM 973 CA THR A 63 -11.951 -9.356 -10.274 1.00 0.00 C ATOM 974 C THR A 63 -11.626 -8.052 -11.012 1.00 0.00 C ATOM 975 O THR A 63 -10.552 -7.484 -10.808 1.00 0.00 O ATOM 976 CB THR A 63 -11.884 -10.550 -11.250 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.156 -11.769 -10.547 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.515 -10.638 -11.908 1.00 0.00 C ATOM 0 H THR A 63 -13.997 -9.779 -10.063 1.00 0.00 H new ATOM 0 HA THR A 63 -11.202 -9.516 -9.498 1.00 0.00 H new ATOM 0 HB THR A 63 -12.634 -10.398 -12.026 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.114 -12.523 -11.171 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.493 -11.487 -12.591 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.319 -9.721 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.751 -10.769 -11.142 1.00 0.00 H new ATOM 986 N PRO A 64 -12.534 -7.549 -11.882 1.00 0.00 N ATOM 987 CA PRO A 64 -12.304 -6.290 -12.599 1.00 0.00 C ATOM 988 C PRO A 64 -12.132 -5.121 -11.636 1.00 0.00 C ATOM 989 O PRO A 64 -11.260 -4.272 -11.822 1.00 0.00 O ATOM 990 CB PRO A 64 -13.571 -6.105 -13.440 1.00 0.00 C ATOM 991 CG PRO A 64 -14.159 -7.467 -13.550 1.00 0.00 C ATOM 992 CD PRO A 64 -13.822 -8.160 -12.261 1.00 0.00 C ATOM 0 HA PRO A 64 -11.393 -6.321 -13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.264 -5.413 -12.963 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.337 -5.695 -14.422 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.238 -7.417 -13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.745 -8.004 -14.403 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.586 -7.994 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.734 -9.238 -12.394 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.974 -5.086 -10.603 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.912 -4.025 -9.604 1.00 0.00 C ATOM 1002 C ILE A 65 -11.558 -4.023 -8.900 1.00 0.00 C ATOM 1003 O ILE A 65 -10.973 -2.965 -8.659 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.033 -4.175 -8.554 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.405 -4.051 -9.221 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.876 -3.132 -7.454 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.563 -4.359 -8.293 1.00 0.00 C ATOM 0 H ILE A 65 -13.704 -5.779 -10.438 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.048 -3.079 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.956 -5.164 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.521 -3.039 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.446 -4.726 -10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.675 -3.252 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.911 -3.263 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.929 -2.134 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.502 -4.250 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.472 -5.381 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.548 -3.667 -7.451 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.068 -5.214 -8.571 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.782 -5.352 -7.898 1.00 0.00 C ATOM 1021 C PHE A 66 -8.658 -4.791 -8.765 1.00 0.00 C ATOM 1022 O PHE A 66 -7.717 -4.180 -8.259 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.508 -6.821 -7.568 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.190 -7.051 -6.884 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.034 -6.762 -5.537 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.107 -7.552 -7.588 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.823 -6.971 -4.906 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.894 -7.762 -6.961 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.751 -7.471 -5.618 1.00 0.00 C ATOM 0 H PHE A 66 -11.542 -6.097 -8.760 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.820 -4.784 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.308 -7.196 -6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.535 -7.402 -8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.868 -6.369 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.212 -7.781 -8.638 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.715 -6.743 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.057 -8.154 -7.521 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.803 -7.634 -5.126 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.764 -5.004 -10.074 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.760 -4.513 -11.011 1.00 0.00 C ATOM 1041 C ASN A 67 -7.757 -2.990 -11.046 1.00 0.00 C ATOM 1042 O ASN A 67 -6.715 -2.365 -11.243 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.017 -5.069 -12.414 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.630 -6.531 -12.544 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.220 -6.981 -13.614 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.757 -7.283 -11.455 1.00 0.00 N ATOM 0 H ASN A 67 -9.534 -5.513 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.783 -4.856 -10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.073 -4.954 -12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.456 -4.483 -13.141 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.511 -8.272 -11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.101 -6.871 -10.588 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.934 -2.400 -10.854 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.069 -0.949 -10.856 1.00 0.00 C ATOM 1055 C GLU A 68 -8.370 -0.343 -9.646 1.00 0.00 C ATOM 1056 O GLU A 68 -7.780 0.733 -9.730 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.546 -0.551 -10.856 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.769 0.953 -10.841 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.239 1.325 -10.852 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.829 1.449 -9.759 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.799 1.497 -11.956 1.00 0.00 O ATOM 0 H GLU A 68 -9.806 -2.905 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.598 -0.565 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.028 -0.973 -11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.033 -0.991 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.297 1.378 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.279 1.398 -11.707 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.442 -1.044 -8.519 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.818 -0.581 -7.286 1.00 0.00 C ATOM 1070 C TYR A 69 -6.297 -0.629 -7.393 1.00 0.00 C ATOM 1071 O TYR A 69 -5.602 0.279 -6.938 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.285 -1.438 -6.107 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.779 -0.958 -4.765 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.382 0.114 -4.119 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.701 -1.577 -4.145 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.924 0.556 -2.893 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.237 -1.141 -2.918 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.852 -0.075 -2.296 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.393 0.363 -1.076 1.00 0.00 O ATOM 0 H TYR A 69 -8.928 -1.937 -8.435 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.118 0.454 -7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.375 -1.453 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.955 -2.465 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.222 0.610 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.218 -2.412 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.403 1.392 -2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.397 -1.633 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.634 -0.189 -0.795 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.788 -1.696 -8.000 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.351 -1.874 -8.167 1.00 0.00 C ATOM 1091 C ILE A 70 -3.792 -0.947 -9.244 1.00 0.00 C ATOM 1092 O ILE A 70 -2.640 -0.521 -9.173 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.012 -3.334 -8.526 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.579 -4.287 -7.468 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.506 -3.516 -8.667 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.987 -4.092 -6.086 1.00 0.00 C ATOM 0 H ILE A 70 -6.352 -2.453 -8.386 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.888 -1.621 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.472 -3.572 -9.485 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.659 -4.151 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.403 -5.314 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.287 -4.553 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.133 -2.863 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.019 -3.262 -7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.438 -4.802 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.910 -4.257 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.186 -3.076 -5.745 1.00 0.00 H new ATOM 1108 N SER A 71 -4.610 -0.636 -10.240 1.00 0.00 N ATOM 1109 CA SER A 71 -4.182 0.236 -11.327 1.00 0.00 C ATOM 1110 C SER A 71 -4.308 1.706 -10.939 1.00 0.00 C ATOM 1111 O SER A 71 -3.574 2.553 -11.445 1.00 0.00 O ATOM 1112 CB SER A 71 -5.005 -0.041 -12.586 1.00 0.00 C ATOM 1113 OG SER A 71 -4.851 -1.385 -13.011 1.00 0.00 O ATOM 0 H SER A 71 -5.570 -0.972 -10.319 1.00 0.00 H new ATOM 0 HA SER A 71 -3.132 0.024 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.057 0.163 -12.388 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.694 0.634 -13.383 1.00 0.00 H new ATOM 0 HG SER A 71 -5.438 -1.965 -12.482 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.260 2.010 -10.064 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.473 3.385 -9.626 1.00 0.00 C ATOM 1121 C LEU A 72 -4.659 3.723 -8.374 1.00 0.00 C ATOM 1122 O LEU A 72 -3.771 4.575 -8.412 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.967 3.617 -9.367 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.414 5.079 -9.238 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.037 5.648 -7.878 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.825 5.930 -10.355 1.00 0.00 C ATOM 0 H LEU A 72 -5.893 1.328 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.130 4.046 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.531 3.157 -10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.241 3.093 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.500 5.103 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.366 6.685 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.520 5.065 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.955 5.602 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.157 6.962 -10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.737 5.892 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.159 5.546 -11.319 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.960 3.041 -7.270 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.285 3.295 -5.997 1.00 0.00 C ATOM 1140 C VAL A 73 -2.857 2.752 -5.956 1.00 0.00 C ATOM 1141 O VAL A 73 -1.902 3.515 -5.809 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.078 2.689 -4.821 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.391 2.987 -3.496 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.508 3.210 -4.818 1.00 0.00 C ATOM 0 H VAL A 73 -5.668 2.307 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.237 4.380 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.108 1.607 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.968 2.550 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.389 2.559 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.324 4.066 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.053 2.772 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.500 4.295 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.997 2.936 -5.753 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.718 1.436 -6.087 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.406 0.796 -6.038 1.00 0.00 C ATOM 1156 C GLU A 74 -0.443 1.428 -7.037 1.00 0.00 C ATOM 1157 O GLU A 74 0.709 1.708 -6.708 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.535 -0.707 -6.304 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.314 -1.515 -5.892 1.00 0.00 C ATOM 1160 CD GLU A 74 0.850 -1.355 -6.851 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.775 -1.900 -7.973 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.839 -0.689 -6.479 1.00 0.00 O ATOM 0 H GLU A 74 -3.496 0.792 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.999 0.945 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.406 -1.087 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.719 -0.863 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.001 -1.208 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.586 -2.569 -5.831 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.919 1.656 -8.255 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.091 2.252 -9.295 1.00 0.00 C ATOM 1171 C LYS A 75 0.307 3.679 -8.929 1.00 0.00 C ATOM 1172 O LYS A 75 1.435 4.100 -9.183 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.827 2.245 -10.634 1.00 0.00 C ATOM 1174 CG LYS A 75 0.062 2.588 -11.816 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.739 2.709 -13.102 1.00 0.00 C ATOM 1176 CE LYS A 75 0.164 2.992 -14.291 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.132 1.886 -14.529 1.00 0.00 N ATOM 0 H LYS A 75 -1.872 1.438 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 75 0.815 1.653 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.266 1.260 -10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.651 2.957 -10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.582 3.526 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.825 1.819 -11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.294 1.787 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.473 3.509 -13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.445 3.139 -15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.709 3.921 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.537 1.978 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.894 1.934 -13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.642 0.972 -14.448 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.625 4.422 -8.334 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.363 5.799 -7.934 1.00 0.00 C ATOM 1193 C TYR A 76 0.840 5.873 -6.997 1.00 0.00 C ATOM 1194 O TYR A 76 1.698 6.744 -7.140 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.596 6.395 -7.252 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.453 7.857 -6.895 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.702 8.849 -7.835 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.072 8.246 -5.616 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.576 10.186 -7.512 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.944 9.581 -5.286 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.196 10.547 -6.237 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.069 11.877 -5.911 1.00 0.00 O ATOM 0 H TYR A 76 -1.566 4.092 -8.120 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.137 6.377 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.457 6.274 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.806 5.829 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.999 8.570 -8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.873 7.492 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.774 10.945 -8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.648 9.867 -4.288 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.795 11.959 -4.974 1.00 0.00 H new ATOM 1212 N ILE A 77 0.901 4.948 -6.041 1.00 0.00 N ATOM 1213 CA ILE A 77 1.998 4.909 -5.079 1.00 0.00 C ATOM 1214 C ILE A 77 3.328 4.603 -5.763 1.00 0.00 C ATOM 1215 O ILE A 77 4.331 5.275 -5.521 1.00 0.00 O ATOM 1216 CB ILE A 77 1.747 3.854 -3.982 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.435 4.146 -3.248 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.912 3.823 -3.002 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.029 3.059 -2.273 1.00 0.00 C ATOM 0 H ILE A 77 0.203 4.216 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 77 2.048 5.898 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 77 1.665 2.875 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.532 5.088 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.360 4.279 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.721 3.074 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.829 3.571 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.021 4.802 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.909 3.335 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.101 2.119 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.805 2.940 -1.517 1.00 0.00 H new ATOM 1231 N GLU A 78 3.325 3.583 -6.615 1.00 0.00 N ATOM 1232 CA GLU A 78 4.530 3.173 -7.330 1.00 0.00 C ATOM 1233 C GLU A 78 5.112 4.322 -8.152 1.00 0.00 C ATOM 1234 O GLU A 78 6.321 4.553 -8.139 1.00 0.00 O ATOM 1235 CB GLU A 78 4.224 1.983 -8.242 1.00 0.00 C ATOM 1236 CG GLU A 78 5.438 1.459 -8.991 1.00 0.00 C ATOM 1237 CD GLU A 78 5.112 0.266 -9.868 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.759 0.474 -11.047 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.212 -0.878 -9.375 1.00 0.00 O ATOM 0 H GLU A 78 2.499 3.023 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 78 5.272 2.879 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.802 1.176 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.462 2.276 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.852 2.257 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.209 1.178 -8.274 1.00 0.00 H new ATOM 1246 N GLU A 79 4.248 5.039 -8.863 1.00 0.00 N ATOM 1247 CA GLU A 79 4.682 6.157 -9.694 1.00 0.00 C ATOM 1248 C GLU A 79 5.328 7.257 -8.855 1.00 0.00 C ATOM 1249 O GLU A 79 6.393 7.771 -9.203 1.00 0.00 O ATOM 1250 CB GLU A 79 3.499 6.722 -10.482 1.00 0.00 C ATOM 1251 CG GLU A 79 2.953 5.760 -11.524 1.00 0.00 C ATOM 1252 CD GLU A 79 1.767 6.328 -12.280 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.986 7.135 -13.207 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.621 5.962 -11.947 1.00 0.00 O ATOM 0 H GLU A 79 3.243 4.866 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 79 5.431 5.783 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.701 6.984 -9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.808 7.644 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.744 5.510 -12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.657 4.832 -11.036 1.00 0.00 H new ATOM 1261 N GLN A 80 4.681 7.613 -7.749 1.00 0.00 N ATOM 1262 CA GLN A 80 5.197 8.653 -6.865 1.00 0.00 C ATOM 1263 C GLN A 80 6.581 8.284 -6.338 1.00 0.00 C ATOM 1264 O GLN A 80 7.413 9.157 -6.088 1.00 0.00 O ATOM 1265 CB GLN A 80 4.240 8.881 -5.692 1.00 0.00 C ATOM 1266 CG GLN A 80 2.887 9.441 -6.104 1.00 0.00 C ATOM 1267 CD GLN A 80 2.995 10.790 -6.788 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.985 11.832 -6.135 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.091 10.775 -8.113 1.00 0.00 N ATOM 0 H GLN A 80 3.801 7.198 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 80 5.279 9.574 -7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.088 7.936 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.706 9.566 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.396 8.736 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.254 9.535 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.095 9.887 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.160 11.652 -8.629 1.00 0.00 H new ATOM 1278 N LEU A 81 6.816 6.988 -6.167 1.00 0.00 N ATOM 1279 CA LEU A 81 8.098 6.502 -5.668 1.00 0.00 C ATOM 1280 C LEU A 81 9.160 6.512 -6.762 1.00 0.00 C ATOM 1281 O LEU A 81 10.329 6.797 -6.501 1.00 0.00 O ATOM 1282 CB LEU A 81 7.941 5.087 -5.105 1.00 0.00 C ATOM 1283 CG LEU A 81 7.067 4.982 -3.854 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.828 3.525 -3.491 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.713 5.724 -2.691 1.00 0.00 C ATOM 0 H LEU A 81 6.136 6.255 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 81 8.425 7.173 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.517 4.449 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.930 4.693 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 81 6.103 5.445 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.204 3.470 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.325 3.022 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.783 3.037 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.079 5.640 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.690 5.289 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.834 6.775 -2.952 1.00 0.00 H new ATOM 1297 N LEU A 82 8.747 6.202 -7.987 1.00 0.00 N ATOM 1298 CA LEU A 82 9.666 6.165 -9.120 1.00 0.00 C ATOM 1299 C LEU A 82 10.209 7.555 -9.444 1.00 0.00 C ATOM 1300 O LEU A 82 11.313 7.689 -9.971 1.00 0.00 O ATOM 1301 CB LEU A 82 8.968 5.583 -10.352 1.00 0.00 C ATOM 1302 CG LEU A 82 8.620 4.095 -10.267 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.794 3.674 -11.474 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.884 3.252 -10.168 1.00 0.00 C ATOM 0 H LEU A 82 7.781 5.973 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 82 10.505 5.527 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.050 6.144 -10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.609 5.740 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 82 8.028 3.932 -9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.555 2.613 -11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.871 4.253 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.364 3.854 -12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.614 2.198 -10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.503 3.419 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.441 3.535 -9.275 1.00 0.00 H new ATOM 1316 N GLN A 83 9.428 8.585 -9.128 1.00 0.00 N ATOM 1317 CA GLN A 83 9.835 9.962 -9.394 1.00 0.00 C ATOM 1318 C GLN A 83 11.148 10.302 -8.696 1.00 0.00 C ATOM 1319 O GLN A 83 11.891 11.174 -9.149 1.00 0.00 O ATOM 1320 CB GLN A 83 8.744 10.940 -8.950 1.00 0.00 C ATOM 1321 CG GLN A 83 7.499 10.903 -9.821 1.00 0.00 C ATOM 1322 CD GLN A 83 6.536 12.028 -9.503 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.612 13.110 -10.085 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.622 11.780 -8.573 1.00 0.00 N ATOM 0 H GLN A 83 8.512 8.493 -8.689 1.00 0.00 H new ATOM 0 HA GLN A 83 9.986 10.056 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.464 10.715 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.151 11.951 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.791 10.964 -10.869 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.993 9.947 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.594 10.869 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.947 12.501 -8.316 1.00 0.00 H new ATOM 1333 N ARG A 84 11.433 9.614 -7.595 1.00 0.00 N ATOM 1334 CA ARG A 84 12.658 9.858 -6.842 1.00 0.00 C ATOM 1335 C ARG A 84 13.548 8.619 -6.818 1.00 0.00 C ATOM 1336 O ARG A 84 14.740 8.708 -6.518 1.00 0.00 O ATOM 1337 CB ARG A 84 12.329 10.292 -5.412 1.00 0.00 C ATOM 1338 CG ARG A 84 11.527 11.582 -5.339 1.00 0.00 C ATOM 1339 CD ARG A 84 11.348 12.046 -3.902 1.00 0.00 C ATOM 1340 NE ARG A 84 12.629 12.305 -3.249 1.00 0.00 N ATOM 1341 CZ ARG A 84 12.752 12.929 -2.081 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.674 13.356 -1.435 1.00 0.00 N ATOM 1343 NH2 ARG A 84 13.953 13.126 -1.556 1.00 0.00 N ATOM 0 H ARG A 84 10.835 8.886 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 84 13.201 10.660 -7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.769 9.497 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.258 10.419 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.032 12.359 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.550 11.431 -5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.743 12.952 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.801 11.288 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 84 13.479 11.989 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.747 13.206 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.772 13.834 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.785 12.799 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.046 13.605 -0.660 1.00 0.00 H new ATOM 1357 N ILE A 85 12.967 7.467 -7.134 1.00 0.00 N ATOM 1358 CA ILE A 85 13.714 6.215 -7.150 1.00 0.00 C ATOM 1359 C ILE A 85 13.413 5.412 -8.415 1.00 0.00 C ATOM 1360 O ILE A 85 12.497 4.589 -8.430 1.00 0.00 O ATOM 1361 CB ILE A 85 13.387 5.343 -5.919 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.435 6.182 -4.640 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.361 4.177 -5.827 1.00 0.00 C ATOM 1364 CD1 ILE A 85 12.870 5.470 -3.428 1.00 0.00 C ATOM 0 H ILE A 85 11.982 7.374 -7.382 1.00 0.00 H new ATOM 0 HA ILE A 85 14.771 6.481 -7.128 1.00 0.00 H new ATOM 0 HB ILE A 85 12.378 4.946 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.469 6.462 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.880 7.106 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.120 3.569 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.284 3.567 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.378 4.559 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.936 6.124 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.826 5.213 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.440 4.560 -3.242 1.00 0.00 H new ATOM 1376 N PRO A 86 14.175 5.644 -9.502 1.00 0.00 N ATOM 1377 CA PRO A 86 13.976 4.934 -10.768 1.00 0.00 C ATOM 1378 C PRO A 86 14.450 3.488 -10.700 1.00 0.00 C ATOM 1379 O PRO A 86 14.299 2.726 -11.656 1.00 0.00 O ATOM 1380 CB PRO A 86 14.821 5.733 -11.760 1.00 0.00 C ATOM 1381 CG PRO A 86 15.897 6.342 -10.931 1.00 0.00 C ATOM 1382 CD PRO A 86 15.285 6.616 -9.583 1.00 0.00 C ATOM 0 HA PRO A 86 12.923 4.873 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.235 5.090 -12.537 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.227 6.497 -12.262 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.749 5.667 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.265 7.262 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.006 6.470 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.926 7.642 -9.507 1.00 0.00 H new ATOM 1390 N GLU A 87 15.023 3.118 -9.561 1.00 0.00 N ATOM 1391 CA GLU A 87 15.522 1.762 -9.356 1.00 0.00 C ATOM 1392 C GLU A 87 14.686 1.036 -8.308 1.00 0.00 C ATOM 1393 O GLU A 87 15.095 0.002 -7.777 1.00 0.00 O ATOM 1394 CB GLU A 87 16.989 1.795 -8.920 1.00 0.00 C ATOM 1395 CG GLU A 87 17.903 2.506 -9.905 1.00 0.00 C ATOM 1396 CD GLU A 87 19.343 2.549 -9.436 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.708 3.511 -8.727 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.107 1.623 -9.777 1.00 0.00 O ATOM 0 H GLU A 87 15.154 3.739 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 87 15.445 1.223 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.060 2.289 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.341 0.773 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.854 2.002 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.544 3.524 -10.059 1.00 0.00 H new ATOM 1405 N PHE A 88 13.510 1.585 -8.019 1.00 0.00 N ATOM 1406 CA PHE A 88 12.611 0.999 -7.031 1.00 0.00 C ATOM 1407 C PHE A 88 11.897 -0.225 -7.593 1.00 0.00 C ATOM 1408 O PHE A 88 11.615 -0.299 -8.788 1.00 0.00 O ATOM 1409 CB PHE A 88 11.582 2.034 -6.571 1.00 0.00 C ATOM 1410 CG PHE A 88 10.826 1.619 -5.342 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.319 1.909 -4.079 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.623 0.940 -5.446 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.629 1.529 -2.946 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.926 0.557 -4.315 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.431 0.852 -3.063 1.00 0.00 C ATOM 0 H PHE A 88 13.157 2.436 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 88 13.211 0.684 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.090 2.978 -6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.874 2.216 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.255 2.439 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.225 0.707 -6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.026 1.761 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.989 0.028 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.890 0.554 -2.177 1.00 0.00 H new ATOM 1425 N ASN A 89 11.609 -1.183 -6.718 1.00 0.00 N ATOM 1426 CA ASN A 89 10.921 -2.406 -7.115 1.00 0.00 C ATOM 1427 C ASN A 89 9.834 -2.760 -6.104 1.00 0.00 C ATOM 1428 O ASN A 89 10.122 -3.283 -5.027 1.00 0.00 O ATOM 1429 CB ASN A 89 11.916 -3.561 -7.243 1.00 0.00 C ATOM 1430 CG ASN A 89 11.273 -4.829 -7.775 1.00 0.00 C ATOM 1431 OD1 ASN A 89 11.680 -5.937 -7.427 1.00 0.00 O ATOM 1432 ND2 ASN A 89 10.267 -4.672 -8.629 1.00 0.00 N ATOM 0 H ASN A 89 11.842 -1.135 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 89 10.454 -2.237 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.728 -3.264 -7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.359 -3.764 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.800 -5.489 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.962 -3.735 -8.890 1.00 0.00 H new ATOM 1439 N MET A 90 8.586 -2.467 -6.457 1.00 0.00 N ATOM 1440 CA MET A 90 7.453 -2.747 -5.580 1.00 0.00 C ATOM 1441 C MET A 90 7.327 -4.241 -5.297 1.00 0.00 C ATOM 1442 O MET A 90 6.723 -4.643 -4.303 1.00 0.00 O ATOM 1443 CB MET A 90 6.159 -2.226 -6.207 1.00 0.00 C ATOM 1444 CG MET A 90 5.471 -1.155 -5.376 1.00 0.00 C ATOM 1445 SD MET A 90 4.923 -1.768 -3.772 1.00 0.00 S ATOM 1446 CE MET A 90 4.231 -0.279 -3.057 1.00 0.00 C ATOM 0 H MET A 90 8.333 -2.035 -7.346 1.00 0.00 H new ATOM 0 HA MET A 90 7.628 -2.235 -4.634 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.380 -1.822 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.472 -3.060 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.156 -0.320 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.613 -0.769 -5.926 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.849 -0.498 -2.060 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.005 0.486 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.417 0.082 -3.686 1.00 0.00 H new ATOM 1456 N ALA A 91 7.899 -5.058 -6.174 1.00 0.00 N ATOM 1457 CA ALA A 91 7.843 -6.506 -6.017 1.00 0.00 C ATOM 1458 C ALA A 91 8.749 -6.981 -4.885 1.00 0.00 C ATOM 1459 O ALA A 91 8.292 -7.625 -3.941 1.00 0.00 O ATOM 1460 CB ALA A 91 8.223 -7.190 -7.323 1.00 0.00 C ATOM 0 H ALA A 91 8.407 -4.742 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 91 6.819 -6.776 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.178 -8.271 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.528 -6.889 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.235 -6.900 -7.604 1.00 0.00 H new ATOM 1466 N ALA A 92 10.035 -6.655 -4.984 1.00 0.00 N ATOM 1467 CA ALA A 92 11.007 -7.056 -3.973 1.00 0.00 C ATOM 1468 C ALA A 92 10.785 -6.318 -2.657 1.00 0.00 C ATOM 1469 O ALA A 92 11.110 -6.832 -1.585 1.00 0.00 O ATOM 1470 CB ALA A 92 12.421 -6.814 -4.480 1.00 0.00 C ATOM 0 H ALA A 92 10.428 -6.114 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 92 10.871 -8.121 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.138 -7.117 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.587 -7.397 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.552 -5.755 -4.701 1.00 0.00 H new ATOM 1476 N PHE A 93 10.231 -5.114 -2.740 1.00 0.00 N ATOM 1477 CA PHE A 93 9.976 -4.308 -1.552 1.00 0.00 C ATOM 1478 C PHE A 93 8.880 -4.925 -0.687 1.00 0.00 C ATOM 1479 O PHE A 93 9.066 -5.125 0.512 1.00 0.00 O ATOM 1480 CB PHE A 93 9.589 -2.882 -1.950 1.00 0.00 C ATOM 1481 CG PHE A 93 9.208 -2.011 -0.785 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.130 -1.710 0.206 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.927 -1.495 -0.681 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.779 -0.909 1.277 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.570 -0.695 0.387 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.499 -0.402 1.368 1.00 0.00 C ATOM 0 H PHE A 93 9.950 -4.675 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 93 10.894 -4.279 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.425 -2.422 -2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.754 -2.923 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.133 -2.105 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.198 -1.721 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.506 -0.680 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.567 -0.299 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.223 0.223 2.205 1.00 0.00 H new ATOM 1496 N THR A 94 7.741 -5.227 -1.303 1.00 0.00 N ATOM 1497 CA THR A 94 6.611 -5.809 -0.585 1.00 0.00 C ATOM 1498 C THR A 94 6.960 -7.160 0.032 1.00 0.00 C ATOM 1499 O THR A 94 6.723 -7.384 1.218 1.00 0.00 O ATOM 1500 CB THR A 94 5.388 -5.980 -1.505 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.770 -6.654 -2.709 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.771 -4.632 -1.842 1.00 0.00 C ATOM 0 H THR A 94 7.576 -5.078 -2.298 1.00 0.00 H new ATOM 0 HA THR A 94 6.367 -5.110 0.215 1.00 0.00 H new ATOM 0 HB THR A 94 4.645 -6.578 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.991 -5.993 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.909 -4.779 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.453 -4.138 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.508 -4.011 -2.351 1.00 0.00 H new ATOM 1510 N THR A 95 7.522 -8.059 -0.775 1.00 0.00 N ATOM 1511 CA THR A 95 7.887 -9.388 -0.294 1.00 0.00 C ATOM 1512 C THR A 95 8.811 -9.310 0.919 1.00 0.00 C ATOM 1513 O THR A 95 8.662 -10.075 1.872 1.00 0.00 O ATOM 1514 CB THR A 95 8.560 -10.229 -1.396 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.879 -11.531 -0.893 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.821 -9.552 -1.896 1.00 0.00 C ATOM 0 H THR A 95 7.733 -7.892 -1.759 1.00 0.00 H new ATOM 0 HA THR A 95 6.958 -9.876 -0.000 1.00 0.00 H new ATOM 0 HB THR A 95 7.862 -10.323 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.305 -12.059 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.279 -10.164 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.571 -8.573 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.521 -9.431 -1.070 1.00 0.00 H new ATOM 1524 N THR A 96 9.761 -8.381 0.881 1.00 0.00 N ATOM 1525 CA THR A 96 10.700 -8.206 1.983 1.00 0.00 C ATOM 1526 C THR A 96 10.036 -7.479 3.151 1.00 0.00 C ATOM 1527 O THR A 96 10.403 -7.676 4.309 1.00 0.00 O ATOM 1528 CB THR A 96 11.952 -7.422 1.540 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.536 -8.045 0.390 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.981 -7.361 2.659 1.00 0.00 C ATOM 0 H THR A 96 9.901 -7.739 0.101 1.00 0.00 H new ATOM 0 HA THR A 96 11.007 -9.201 2.304 1.00 0.00 H new ATOM 0 HB THR A 96 11.646 -6.406 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.121 -7.687 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.854 -6.803 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.546 -6.864 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.281 -8.372 2.933 1.00 0.00 H new ATOM 1538 N LEU A 97 9.058 -6.637 2.832 1.00 0.00 N ATOM 1539 CA LEU A 97 8.336 -5.872 3.844 1.00 0.00 C ATOM 1540 C LEU A 97 7.567 -6.800 4.782 1.00 0.00 C ATOM 1541 O LEU A 97 7.480 -6.546 5.984 1.00 0.00 O ATOM 1542 CB LEU A 97 7.365 -4.895 3.169 1.00 0.00 C ATOM 1543 CG LEU A 97 7.160 -3.559 3.892 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.296 -2.632 3.051 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.530 -3.773 5.260 1.00 0.00 C ATOM 0 H LEU A 97 8.746 -6.466 1.876 1.00 0.00 H new ATOM 0 HA LEU A 97 9.063 -5.312 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.726 -4.690 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.397 -5.385 3.068 1.00 0.00 H new ATOM 0 HG LEU A 97 8.136 -3.096 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.158 -1.687 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.785 -2.448 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.325 -3.096 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.395 -2.810 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.562 -4.260 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.181 -4.403 5.866 1.00 0.00 H new ATOM 1557 N GLN A 98 7.022 -7.879 4.225 1.00 0.00 N ATOM 1558 CA GLN A 98 6.246 -8.843 5.003 1.00 0.00 C ATOM 1559 C GLN A 98 6.999 -9.285 6.251 1.00 0.00 C ATOM 1560 O GLN A 98 6.406 -9.451 7.317 1.00 0.00 O ATOM 1561 CB GLN A 98 5.907 -10.065 4.146 1.00 0.00 C ATOM 1562 CG GLN A 98 5.071 -9.738 2.920 1.00 0.00 C ATOM 1563 CD GLN A 98 3.691 -9.220 3.276 1.00 0.00 C ATOM 1564 OE1 GLN A 98 2.744 -9.992 3.418 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.572 -7.906 3.419 1.00 0.00 N ATOM 0 H GLN A 98 7.104 -8.109 3.235 1.00 0.00 H new ATOM 0 HA GLN A 98 5.325 -8.351 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.834 -10.542 3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.370 -10.790 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.591 -8.992 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.972 -10.632 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.385 -7.303 3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.667 -7.499 3.656 1.00 0.00 H new ATOM 1574 N HIS A 99 8.303 -9.477 6.116 1.00 0.00 N ATOM 1575 CA HIS A 99 9.127 -9.894 7.241 1.00 0.00 C ATOM 1576 C HIS A 99 9.691 -8.679 7.969 1.00 0.00 C ATOM 1577 O HIS A 99 9.854 -8.693 9.190 1.00 0.00 O ATOM 1578 CB HIS A 99 10.267 -10.796 6.762 1.00 0.00 C ATOM 1579 CG HIS A 99 9.796 -12.047 6.087 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.815 -13.286 6.696 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.295 -12.250 4.845 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.347 -14.193 5.859 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.024 -13.591 4.729 1.00 0.00 N ATOM 0 H HIS A 99 8.812 -9.351 5.241 1.00 0.00 H new ATOM 0 HA HIS A 99 8.502 -10.457 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.897 -10.236 6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.890 -11.065 7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.138 -11.497 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.245 -15.249 6.064 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.636 -14.048 3.904 1.00 0.00 H new ATOM 1592 N HIS A 100 9.968 -7.621 7.214 1.00 0.00 N ATOM 1593 CA HIS A 100 10.521 -6.398 7.783 1.00 0.00 C ATOM 1594 C HIS A 100 9.514 -5.714 8.702 1.00 0.00 C ATOM 1595 O HIS A 100 9.841 -4.734 9.370 1.00 0.00 O ATOM 1596 CB HIS A 100 10.949 -5.438 6.673 1.00 0.00 C ATOM 1597 CG HIS A 100 11.948 -4.418 7.125 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.602 -3.286 7.831 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.293 -4.365 6.971 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.687 -2.581 8.092 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.728 -3.215 7.582 1.00 0.00 N ATOM 0 H HIS A 100 9.818 -7.586 6.206 1.00 0.00 H new ATOM 0 HA HIS A 100 11.395 -6.671 8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.373 -6.012 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.068 -4.927 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.909 -5.092 6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.718 -1.645 8.631 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.697 -2.901 7.634 1.00 0.00 H new ATOM 1610 N LYS A 101 8.286 -6.230 8.732 1.00 0.00 N ATOM 1611 CA LYS A 101 7.242 -5.662 9.581 1.00 0.00 C ATOM 1612 C LYS A 101 7.667 -5.681 11.045 1.00 0.00 C ATOM 1613 O LYS A 101 7.085 -4.987 11.880 1.00 0.00 O ATOM 1614 CB LYS A 101 5.928 -6.430 9.414 1.00 0.00 C ATOM 1615 CG LYS A 101 5.205 -6.133 8.109 1.00 0.00 C ATOM 1616 CD LYS A 101 3.783 -6.678 8.119 1.00 0.00 C ATOM 1617 CE LYS A 101 3.761 -8.198 8.161 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.373 -8.733 8.241 1.00 0.00 N ATOM 0 H LYS A 101 7.991 -7.036 8.181 1.00 0.00 H new ATOM 0 HA LYS A 101 7.087 -4.628 9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.133 -7.499 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.268 -6.188 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.181 -5.056 7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.758 -6.572 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.248 -6.283 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.255 -6.331 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.251 -8.593 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.334 -8.545 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.403 -9.772 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.913 -8.377 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.833 -8.423 7.408 1.00 0.00 H new ATOM 1632 N ASP A 102 8.688 -6.478 11.349 1.00 0.00 N ATOM 1633 CA ASP A 102 9.193 -6.591 12.713 1.00 0.00 C ATOM 1634 C ASP A 102 9.926 -5.322 13.141 1.00 0.00 C ATOM 1635 O ASP A 102 10.384 -5.215 14.278 1.00 0.00 O ATOM 1636 CB ASP A 102 10.132 -7.793 12.831 1.00 0.00 C ATOM 1637 CG ASP A 102 11.449 -7.570 12.115 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.450 -7.540 10.866 1.00 0.00 O ATOM 1639 OD2 ASP A 102 12.482 -7.424 12.802 1.00 0.00 O ATOM 0 H ASP A 102 9.182 -7.055 10.668 1.00 0.00 H new ATOM 0 HA ASP A 102 8.338 -6.732 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.324 -7.998 13.884 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.642 -8.675 12.419 1.00 0.00 H new ATOM 1644 N GLU A 103 10.038 -4.363 12.226 1.00 0.00 N ATOM 1645 CA GLU A 103 10.727 -3.110 12.517 1.00 0.00 C ATOM 1646 C GLU A 103 9.832 -1.903 12.253 1.00 0.00 C ATOM 1647 O GLU A 103 9.527 -1.136 13.167 1.00 0.00 O ATOM 1648 CB GLU A 103 12.001 -3.005 11.677 1.00 0.00 C ATOM 1649 CG GLU A 103 12.834 -1.770 11.982 1.00 0.00 C ATOM 1650 CD GLU A 103 13.344 -1.750 13.410 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.620 -1.240 14.292 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.465 -2.244 13.647 1.00 0.00 O ATOM 0 H GLU A 103 9.662 -4.429 11.280 1.00 0.00 H new ATOM 0 HA GLU A 103 10.986 -3.111 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.610 -3.893 11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.730 -2.998 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.681 -1.729 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.234 -0.878 11.802 1.00 0.00 H new ATOM 1659 N VAL A 104 9.415 -1.738 11.001 1.00 0.00 N ATOM 1660 CA VAL A 104 8.565 -0.613 10.620 1.00 0.00 C ATOM 1661 C VAL A 104 7.239 -0.636 11.376 1.00 0.00 C ATOM 1662 O VAL A 104 6.924 -1.604 12.068 1.00 0.00 O ATOM 1663 CB VAL A 104 8.283 -0.607 9.104 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.575 -0.780 8.321 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.275 -1.685 8.731 1.00 0.00 C ATOM 0 H VAL A 104 9.651 -2.367 10.234 1.00 0.00 H new ATOM 0 HA VAL A 104 9.110 0.294 10.883 1.00 0.00 H new ATOM 0 HB VAL A 104 7.850 0.359 8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.357 -0.773 7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.256 0.038 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 104 10.040 -1.728 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.095 -1.658 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.669 -2.663 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.339 -1.507 9.261 1.00 0.00 H new ATOM 1675 N ALA A 105 6.469 0.437 11.235 1.00 0.00 N ATOM 1676 CA ALA A 105 5.175 0.542 11.897 1.00 0.00 C ATOM 1677 C ALA A 105 4.154 -0.386 11.250 1.00 0.00 C ATOM 1678 O ALA A 105 3.689 -0.131 10.138 1.00 0.00 O ATOM 1679 CB ALA A 105 4.678 1.979 11.861 1.00 0.00 C ATOM 0 H ALA A 105 6.719 1.247 10.668 1.00 0.00 H new ATOM 0 HA ALA A 105 5.300 0.238 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.711 2.042 12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.392 2.624 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.574 2.302 10.825 1.00 0.00 H new ATOM 1685 N GLY A 106 3.811 -1.463 11.948 1.00 0.00 N ATOM 1686 CA GLY A 106 2.845 -2.409 11.424 1.00 0.00 C ATOM 1687 C GLY A 106 1.479 -1.783 11.233 1.00 0.00 C ATOM 1688 O GLY A 106 0.727 -2.174 10.341 1.00 0.00 O ATOM 0 H GLY A 106 4.185 -1.697 12.868 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.201 -2.799 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.763 -3.257 12.104 1.00 0.00 H new ATOM 1692 N ASP A 107 1.160 -0.809 12.078 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.122 -0.121 12.011 1.00 0.00 C ATOM 1694 C ASP A 107 -0.267 0.660 10.708 1.00 0.00 C ATOM 1695 O ASP A 107 -1.359 0.750 10.149 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.273 0.824 13.204 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.238 0.091 14.529 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.873 -0.145 15.048 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.321 -0.251 15.048 1.00 0.00 O ATOM 0 H ASP A 107 1.776 -0.478 12.821 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.909 -0.875 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.526 1.565 13.181 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.214 1.367 13.117 1.00 0.00 H new ATOM 1704 N ILE A 108 0.839 1.224 10.227 1.00 0.00 N ATOM 1705 CA ILE A 108 0.818 2.002 8.992 1.00 0.00 C ATOM 1706 C ILE A 108 0.692 1.101 7.767 1.00 0.00 C ATOM 1707 O ILE A 108 -0.166 1.323 6.911 1.00 0.00 O ATOM 1708 CB ILE A 108 2.086 2.872 8.853 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.138 3.923 9.964 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.138 3.535 7.481 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.030 4.945 9.879 1.00 0.00 C ATOM 0 H ILE A 108 1.755 1.157 10.671 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.056 2.652 9.046 1.00 0.00 H new ATOM 0 HB ILE A 108 2.958 2.226 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.085 3.421 10.930 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.099 4.436 9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.039 4.143 7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.151 2.768 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.261 4.168 7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.129 5.658 10.697 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.094 5.473 8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.065 4.443 9.951 1.00 0.00 H new ATOM 1723 N PHE A 109 1.539 0.080 7.689 1.00 0.00 N ATOM 1724 CA PHE A 109 1.505 -0.843 6.563 1.00 0.00 C ATOM 1725 C PHE A 109 0.200 -1.627 6.548 1.00 0.00 C ATOM 1726 O PHE A 109 -0.271 -2.032 5.489 1.00 0.00 O ATOM 1727 CB PHE A 109 2.693 -1.808 6.588 1.00 0.00 C ATOM 1728 CG PHE A 109 2.703 -2.760 5.421 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.630 -2.281 4.120 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.773 -4.129 5.623 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.626 -3.149 3.044 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.768 -5.003 4.551 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.695 -4.513 3.260 1.00 0.00 C ATOM 0 H PHE A 109 2.253 -0.128 8.388 1.00 0.00 H new ATOM 0 HA PHE A 109 1.572 -0.246 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.620 -1.234 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.670 -2.380 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.576 -1.216 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.832 -4.518 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.569 -2.763 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.821 -6.068 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.692 -5.194 2.422 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.381 -1.831 7.730 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.630 -2.580 7.854 1.00 0.00 C ATOM 1745 C ASP A 110 -2.662 -2.094 6.841 1.00 0.00 C ATOM 1746 O ASP A 110 -3.512 -2.863 6.391 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.191 -2.444 9.271 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.505 -3.177 9.446 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.474 -4.379 9.784 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.567 -2.550 9.243 1.00 0.00 O ATOM 0 H ASP A 110 -0.007 -1.488 8.615 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.415 -3.629 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.464 -2.832 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.334 -1.388 9.502 1.00 0.00 H new ATOM 1755 N MET A 111 -2.584 -0.816 6.487 1.00 0.00 N ATOM 1756 CA MET A 111 -3.500 -0.243 5.511 1.00 0.00 C ATOM 1757 C MET A 111 -3.151 -0.752 4.115 1.00 0.00 C ATOM 1758 O MET A 111 -4.005 -1.267 3.391 1.00 0.00 O ATOM 1759 CB MET A 111 -3.437 1.286 5.561 1.00 0.00 C ATOM 1760 CG MET A 111 -4.249 1.974 4.475 1.00 0.00 C ATOM 1761 SD MET A 111 -3.317 2.207 2.948 1.00 0.00 S ATOM 1762 CE MET A 111 -2.028 3.320 3.503 1.00 0.00 C ATOM 0 H MET A 111 -1.898 -0.160 6.860 1.00 0.00 H new ATOM 0 HA MET A 111 -4.518 -0.551 5.751 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.793 1.622 6.535 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.397 1.600 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.140 1.383 4.265 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.588 2.943 4.840 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.489 3.711 2.640 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.474 4.146 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.336 2.781 4.150 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.878 -0.619 3.759 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.383 -1.062 2.461 1.00 0.00 C ATOM 1774 C LEU A 112 -1.456 -2.580 2.347 1.00 0.00 C ATOM 1775 O LEU A 112 -1.495 -3.130 1.249 1.00 0.00 O ATOM 1776 CB LEU A 112 0.058 -0.591 2.255 1.00 0.00 C ATOM 1777 CG LEU A 112 0.246 0.926 2.189 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.725 1.280 2.219 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.414 1.490 0.938 1.00 0.00 C ATOM 0 H LEU A 112 -1.164 -0.204 4.358 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.014 -0.625 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.670 -0.982 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.437 -1.028 1.331 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.232 1.372 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.841 2.363 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.170 0.908 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.226 0.824 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.271 2.570 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.036 1.038 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.481 1.266 0.957 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.479 -3.247 3.495 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.533 -4.703 3.548 1.00 0.00 C ATOM 1793 C LEU A 113 -2.659 -5.241 2.672 1.00 0.00 C ATOM 1794 O LEU A 113 -2.588 -6.365 2.177 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.724 -5.169 4.994 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.576 -6.675 5.219 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.161 -7.132 4.894 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.936 -7.033 6.654 1.00 0.00 C ATOM 0 H LEU A 113 -1.461 -2.797 4.410 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.589 -5.093 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.001 -4.651 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.715 -4.864 5.329 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.263 -7.192 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.078 -8.206 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.063 -6.909 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.547 -6.609 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.826 -8.108 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.272 -6.504 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.968 -6.744 6.853 1.00 0.00 H new ATOM 1810 N THR A 114 -3.699 -4.431 2.489 1.00 0.00 N ATOM 1811 CA THR A 114 -4.844 -4.823 1.671 1.00 0.00 C ATOM 1812 C THR A 114 -4.432 -5.149 0.234 1.00 0.00 C ATOM 1813 O THR A 114 -5.266 -5.548 -0.579 1.00 0.00 O ATOM 1814 CB THR A 114 -5.917 -3.719 1.644 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.375 -2.520 1.076 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.434 -3.432 3.046 1.00 0.00 C ATOM 0 H THR A 114 -3.772 -3.499 2.896 1.00 0.00 H new ATOM 0 HA THR A 114 -5.258 -5.720 2.132 1.00 0.00 H new ATOM 0 HB THR A 114 -6.748 -4.067 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.894 -2.019 1.767 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.191 -2.649 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.873 -4.338 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.609 -3.104 3.678 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.147 -4.979 -0.076 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.642 -5.267 -1.415 1.00 0.00 C ATOM 1826 C PHE A 115 -2.762 -6.754 -1.729 1.00 0.00 C ATOM 1827 O PHE A 115 -2.915 -7.143 -2.888 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.178 -4.827 -1.550 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.988 -3.340 -1.707 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.884 -2.583 -2.447 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.095 -2.702 -1.117 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.706 -1.221 -2.594 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.276 -1.339 -1.262 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.626 -0.598 -2.001 1.00 0.00 C ATOM 0 H PHE A 115 -2.441 -4.645 0.580 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.247 -4.706 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.628 -5.161 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.738 -5.330 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.731 -3.064 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.803 -3.277 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.412 -0.644 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.122 -0.854 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.486 0.467 -2.115 1.00 0.00 H new ATOM 1844 N THR A 116 -2.693 -7.580 -0.689 1.00 0.00 N ATOM 1845 CA THR A 116 -2.790 -9.024 -0.855 1.00 0.00 C ATOM 1846 C THR A 116 -3.857 -9.622 0.057 1.00 0.00 C ATOM 1847 O THR A 116 -4.640 -10.473 -0.364 1.00 0.00 O ATOM 1848 CB THR A 116 -1.443 -9.713 -0.567 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.035 -9.449 0.780 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.369 -9.228 -1.531 1.00 0.00 C ATOM 0 H THR A 116 -2.570 -7.273 0.276 1.00 0.00 H new ATOM 0 HA THR A 116 -3.070 -9.200 -1.894 1.00 0.00 H new ATOM 0 HB THR A 116 -1.574 -10.787 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.179 -9.892 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.573 -9.729 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.668 -9.457 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.242 -8.151 -1.422 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.884 -9.169 1.308 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.852 -9.665 2.280 1.00 0.00 C ATOM 1860 C ASP A 117 -6.264 -9.201 1.938 1.00 0.00 C ATOM 1861 O ASP A 117 -6.704 -8.137 2.377 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.474 -9.202 3.688 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.202 -9.857 4.188 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.106 -9.365 3.847 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.301 -10.865 4.921 1.00 0.00 O ATOM 0 H ASP A 117 -3.247 -8.460 1.671 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.835 -10.754 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.347 -8.119 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.290 -9.429 4.374 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.967 -10.009 1.151 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.332 -9.689 0.746 1.00 0.00 C ATOM 1872 C PHE A 118 -9.237 -9.546 1.966 1.00 0.00 C ATOM 1873 O PHE A 118 -10.230 -8.819 1.931 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.875 -10.777 -0.184 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.234 -10.467 -0.749 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.360 -9.766 -1.937 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.382 -10.877 -0.092 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.606 -9.481 -2.461 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.632 -10.595 -0.609 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.744 -9.896 -1.796 1.00 0.00 C ATOM 0 H PHE A 118 -6.614 -10.891 0.780 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.318 -8.739 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.174 -10.923 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.925 -11.718 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.474 -9.438 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.299 -11.424 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.691 -8.935 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.520 -10.920 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.719 -9.674 -2.203 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.887 -10.242 3.042 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.667 -10.195 4.273 1.00 0.00 C ATOM 1892 C LEU A 119 -9.625 -8.804 4.893 1.00 0.00 C ATOM 1893 O LEU A 119 -10.631 -8.312 5.403 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.152 -11.235 5.274 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.538 -12.689 4.974 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.051 -12.854 4.969 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.949 -13.143 3.645 1.00 0.00 C ATOM 0 H LEU A 119 -8.067 -10.846 3.086 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.702 -10.428 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.065 -11.167 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.525 -10.976 6.265 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.125 -13.317 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.303 -13.892 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.450 -12.578 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.485 -12.210 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.236 -14.177 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.326 -12.508 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.862 -13.070 3.685 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.455 -8.172 4.848 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.290 -6.834 5.407 1.00 0.00 C ATOM 1911 C ALA A 120 -8.954 -5.789 4.519 1.00 0.00 C ATOM 1912 O ALA A 120 -9.440 -4.766 5.003 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.814 -6.516 5.588 1.00 0.00 C ATOM 0 H ALA A 120 -7.610 -8.564 4.432 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.776 -6.809 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.706 -5.515 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.366 -7.242 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.311 -6.562 4.622 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.970 -6.056 3.218 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.571 -5.146 2.251 1.00 0.00 C ATOM 1921 C PHE A 121 -11.083 -5.080 2.451 1.00 0.00 C ATOM 1922 O PHE A 121 -11.655 -4.002 2.628 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.239 -5.615 0.831 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.475 -4.585 -0.240 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.006 -3.289 -0.093 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.156 -4.920 -1.399 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.215 -2.346 -1.081 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.366 -3.981 -2.393 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.895 -2.693 -2.233 1.00 0.00 C ATOM 0 H PHE A 121 -8.571 -6.900 2.807 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.164 -4.146 2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.193 -5.921 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.836 -6.498 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.471 -3.013 0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.527 -5.926 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.847 -1.339 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.897 -4.255 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.058 -1.958 -3.007 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.722 -6.245 2.433 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.164 -6.331 2.622 1.00 0.00 C ATOM 1941 C LYS A 122 -13.550 -5.813 4.003 1.00 0.00 C ATOM 1942 O LYS A 122 -14.489 -5.030 4.143 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.633 -7.777 2.453 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.133 -7.956 2.613 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.540 -9.409 2.425 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.035 -9.597 2.619 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.478 -9.157 3.969 1.00 0.00 N ATOM 0 H LYS A 122 -11.262 -7.144 2.289 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.651 -5.712 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.337 -8.132 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.121 -8.403 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.438 -7.616 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.655 -7.333 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.257 -9.741 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.998 -10.035 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.574 -9.032 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.290 -10.647 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.424 -9.541 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.808 -9.504 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.512 -8.118 4.002 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.814 -6.254 5.020 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.072 -5.837 6.393 1.00 0.00 C ATOM 1963 C GLU A 123 -12.932 -4.324 6.533 1.00 0.00 C ATOM 1964 O GLU A 123 -13.620 -3.699 7.340 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.109 -6.543 7.353 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.315 -6.172 8.814 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.701 -6.523 9.318 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.609 -5.676 9.196 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.876 -7.647 9.838 1.00 0.00 O ATOM 0 H GLU A 123 -12.033 -6.902 4.917 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.094 -6.116 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.226 -7.621 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.085 -6.302 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.571 -6.685 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.147 -5.102 8.940 1.00 0.00 H new ATOM 1976 N MET A 124 -12.037 -3.744 5.738 1.00 0.00 N ATOM 1977 CA MET A 124 -11.809 -2.305 5.767 1.00 0.00 C ATOM 1978 C MET A 124 -13.069 -1.550 5.362 1.00 0.00 C ATOM 1979 O MET A 124 -13.474 -0.596 6.027 1.00 0.00 O ATOM 1980 CB MET A 124 -10.652 -1.931 4.839 1.00 0.00 C ATOM 1981 CG MET A 124 -10.331 -0.446 4.830 1.00 0.00 C ATOM 1982 SD MET A 124 -8.910 -0.050 3.795 1.00 0.00 S ATOM 1983 CE MET A 124 -9.504 -0.578 2.190 1.00 0.00 C ATOM 0 H MET A 124 -11.459 -4.249 5.067 1.00 0.00 H new ATOM 0 HA MET A 124 -11.550 -2.022 6.787 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.763 -2.484 5.141 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.895 -2.247 3.825 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.200 0.108 4.475 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.137 -0.114 5.850 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.843 -0.193 1.413 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.519 -1.667 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.512 -0.195 2.031 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.687 -1.981 4.265 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.906 -1.343 3.778 1.00 0.00 C ATOM 1995 C PHE A 125 -16.053 -1.522 4.768 1.00 0.00 C ATOM 1996 O PHE A 125 -16.828 -0.597 5.007 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.302 -1.916 2.417 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.323 -1.594 1.326 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.085 -0.280 0.957 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.644 -2.607 0.672 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.183 0.017 -0.045 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.740 -2.314 -0.332 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.510 -1.001 -0.692 1.00 0.00 C ATOM 0 H PHE A 125 -13.365 -2.766 3.699 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.705 -0.277 3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.398 -2.999 2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.283 -1.530 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.610 0.520 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.822 -3.636 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.004 1.045 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.214 -3.112 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.806 -0.771 -1.478 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.157 -2.718 5.339 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.212 -3.016 6.302 1.00 0.00 C ATOM 2015 C LEU A 126 -17.077 -2.151 7.550 1.00 0.00 C ATOM 2016 O LEU A 126 -18.073 -1.815 8.192 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.182 -4.498 6.684 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.029 -5.415 5.797 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.524 -5.398 4.362 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.026 -6.833 6.347 1.00 0.00 C ATOM 0 H LEU A 126 -15.524 -3.496 5.152 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.169 -2.790 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.149 -4.844 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.523 -4.599 7.714 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.053 -5.043 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.141 -6.057 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.578 -4.383 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.490 -5.742 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.632 -7.473 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.004 -7.210 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.440 -6.833 7.355 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.843 -1.796 7.893 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.586 -0.964 9.063 1.00 0.00 C ATOM 2034 C ASP A 127 -16.046 0.469 8.815 1.00 0.00 C ATOM 2035 O ASP A 127 -16.732 1.065 9.647 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.099 -0.983 9.417 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.783 -0.137 10.635 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.836 -0.674 11.762 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.485 1.064 10.463 1.00 0.00 O ATOM 0 H ASP A 127 -15.006 -2.071 7.378 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.152 -1.372 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.785 -2.011 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.521 -0.621 8.567 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.661 1.017 7.666 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.034 2.379 7.303 1.00 0.00 C ATOM 2046 C TYR A 128 -17.546 2.504 7.140 1.00 0.00 C ATOM 2047 O TYR A 128 -18.138 3.520 7.504 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.331 2.789 6.005 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.683 4.182 5.533 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.110 5.302 6.121 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.592 4.376 4.500 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.430 6.576 5.692 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.917 5.647 4.065 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.333 6.743 4.665 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.655 8.009 4.236 1.00 0.00 O ATOM 0 H TYR A 128 -15.090 0.537 6.970 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.719 3.045 8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.253 2.727 6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.588 2.075 5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.402 5.175 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.052 3.520 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.975 7.436 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.624 5.781 3.260 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.305 7.951 3.505 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.163 1.462 6.592 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.606 1.451 6.377 1.00 0.00 C ATOM 2067 C ARG A 129 -20.354 1.361 7.704 1.00 0.00 C ATOM 2068 O ARG A 129 -21.344 2.060 7.918 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.998 0.278 5.476 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.480 0.232 5.146 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.829 -1.000 4.327 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.253 -1.058 4.004 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.857 -2.138 3.516 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.163 -3.246 3.291 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.157 -2.110 3.252 1.00 0.00 N ATOM 0 H ARG A 129 -17.686 0.613 6.288 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.883 2.385 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.430 0.338 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.714 -0.654 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.060 0.233 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.759 1.129 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.248 -0.999 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.546 -1.895 4.881 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.816 -0.222 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.163 -3.271 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.629 -4.073 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.694 -1.260 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.619 -2.939 2.878 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.873 0.494 8.590 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.496 0.309 9.895 1.00 0.00 C ATOM 2091 C ALA A 130 -20.501 1.609 10.694 1.00 0.00 C ATOM 2092 O ALA A 130 -21.426 1.870 11.462 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.780 -0.785 10.672 1.00 0.00 C ATOM 0 H ALA A 130 -19.054 -0.091 8.427 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.531 0.009 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.256 -0.912 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.834 -1.721 10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.736 -0.507 10.813 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.462 2.419 10.510 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.349 3.689 11.213 1.00 0.00 C ATOM 2101 C GLU A 131 -20.475 4.639 10.816 1.00 0.00 C ATOM 2102 O GLU A 131 -20.852 5.524 11.586 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.993 4.326 10.916 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.742 5.614 11.679 1.00 0.00 C ATOM 2105 CD GLU A 131 -17.779 5.422 13.182 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.738 5.045 13.759 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -18.851 5.648 13.783 1.00 0.00 O ATOM 0 H GLU A 131 -18.687 2.216 9.879 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.431 3.498 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.206 3.612 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.923 4.528 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.771 6.017 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.491 6.352 11.393 1.00 0.00 H new