USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 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 95 THR OG1 : rot 180:sc= -0.135 USER MOD Set 1.2: A 96 THR OG1 : rot 83:sc= 0.364 USER MOD Set 2.1: A 69 TYR OH : rot 151:sc= 0.16 USER MOD Set 2.2: A 114 THR OG1 : rot -85:sc= 0.821 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 152:sc= -0.0726 (180deg=-1.47!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 GLN : amide:sc= 0.331 K(o=0.33,f=-0.76) USER MOD Single : A 43 ASN : amide:sc= -0.531 K(o=-0.53,f=-2!) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.124 (180deg=-0.691) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0852 (180deg=-0.441) USER MOD Single : A 48 TYR OH : rot 70:sc= -0.644 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= -2.44! (180deg=-3.72!) 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 :FLIP amide:sc= -0.292 F(o=-1,f=-0.29) USER MOD Single : A 71 SER OG : rot 80:sc= 0.637 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0622 (180deg=-0.265) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.21) USER MOD Single : A 83 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.21) USER MOD Single : A 89 ASN :FLIP amide:sc= -1.31 F(o=-3.1!,f=-1.3) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -85:sc= 0.598 USER MOD Single : A 98 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.38) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.508 K(o=-0.51,f=-1.7) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -172:sc= -1.16 (180deg=-1.32) USER MOD Single : A 116 THR OG1 : rot -21:sc= 0.203 USER MOD Single : A 122 LYS NZ :NH3+ -117:sc= -0.408 (180deg=-1.42) USER MOD Single : A 124 MET CE :methyl 160:sc= -0.72 (180deg=-1.71) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.343 2.066 6.333 1.00 0.00 N ATOM 243 CA ALA A 19 19.238 3.462 5.917 1.00 0.00 C ATOM 244 C ALA A 19 18.300 3.624 4.723 1.00 0.00 C ATOM 245 O ALA A 19 17.323 4.371 4.788 1.00 0.00 O ATOM 246 CB ALA A 19 20.615 4.018 5.586 1.00 0.00 C ATOM 0 HA ALA A 19 18.816 4.026 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.522 5.059 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.254 3.956 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.057 3.437 4.776 1.00 0.00 H new ATOM 252 N GLU A 20 18.603 2.923 3.633 1.00 0.00 N ATOM 253 CA GLU A 20 17.786 2.991 2.424 1.00 0.00 C ATOM 254 C GLU A 20 16.349 2.564 2.709 1.00 0.00 C ATOM 255 O GLU A 20 15.403 3.176 2.213 1.00 0.00 O ATOM 256 CB GLU A 20 18.383 2.109 1.323 1.00 0.00 C ATOM 257 CG GLU A 20 17.573 2.110 0.035 1.00 0.00 C ATOM 258 CD GLU A 20 18.137 1.166 -1.011 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.745 -0.020 -1.013 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.968 1.614 -1.828 1.00 0.00 O ATOM 0 H GLU A 20 19.408 2.301 3.562 1.00 0.00 H new ATOM 0 HA GLU A 20 17.778 4.027 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.396 2.449 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.462 1.086 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.544 1.827 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.545 3.121 -0.371 1.00 0.00 H new ATOM 267 N PHE A 21 16.195 1.512 3.506 1.00 0.00 N ATOM 268 CA PHE A 21 14.871 1.006 3.852 1.00 0.00 C ATOM 269 C PHE A 21 14.026 2.094 4.503 1.00 0.00 C ATOM 270 O PHE A 21 12.925 2.396 4.044 1.00 0.00 O ATOM 271 CB PHE A 21 14.991 -0.194 4.798 1.00 0.00 C ATOM 272 CG PHE A 21 13.664 -0.746 5.239 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.030 -1.733 4.501 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.053 -0.277 6.391 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.809 -2.241 4.905 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.834 -0.780 6.799 1.00 0.00 C ATOM 277 CZ PHE A 21 11.211 -1.764 6.056 1.00 0.00 C ATOM 0 H PHE A 21 16.968 0.994 3.924 1.00 0.00 H new ATOM 0 HA PHE A 21 14.380 0.689 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.557 -0.983 4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.562 0.103 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.494 -2.109 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.536 0.491 6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.323 -3.009 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.368 -0.405 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.258 -2.160 6.374 1.00 0.00 H new ATOM 287 N ASP A 22 14.550 2.682 5.575 1.00 0.00 N ATOM 288 CA ASP A 22 13.845 3.736 6.293 1.00 0.00 C ATOM 289 C ASP A 22 13.588 4.933 5.384 1.00 0.00 C ATOM 290 O ASP A 22 12.621 5.672 5.572 1.00 0.00 O ATOM 291 CB ASP A 22 14.643 4.173 7.522 1.00 0.00 C ATOM 292 CG ASP A 22 13.909 5.210 8.349 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.024 6.412 8.030 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.219 4.820 9.314 1.00 0.00 O ATOM 0 H ASP A 22 15.462 2.445 5.965 1.00 0.00 H new ATOM 0 HA ASP A 22 12.885 3.337 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.856 3.302 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.603 4.580 7.203 1.00 0.00 H new ATOM 299 N ALA A 23 14.464 5.125 4.404 1.00 0.00 N ATOM 300 CA ALA A 23 14.320 6.228 3.464 1.00 0.00 C ATOM 301 C ALA A 23 13.062 6.050 2.624 1.00 0.00 C ATOM 302 O ALA A 23 12.242 6.962 2.511 1.00 0.00 O ATOM 303 CB ALA A 23 15.547 6.329 2.570 1.00 0.00 C ATOM 0 H ALA A 23 15.278 4.533 4.241 1.00 0.00 H new ATOM 0 HA ALA A 23 14.229 7.155 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.423 7.158 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.431 6.500 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.667 5.401 2.011 1.00 0.00 H new ATOM 309 N VAL A 24 12.912 4.862 2.046 1.00 0.00 N ATOM 310 CA VAL A 24 11.752 4.554 1.221 1.00 0.00 C ATOM 311 C VAL A 24 10.473 4.570 2.049 1.00 0.00 C ATOM 312 O VAL A 24 9.506 5.251 1.701 1.00 0.00 O ATOM 313 CB VAL A 24 11.888 3.177 0.547 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.665 2.879 -0.306 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.160 3.108 -0.286 1.00 0.00 C ATOM 0 H VAL A 24 13.581 4.097 2.135 1.00 0.00 H new ATOM 0 HA VAL A 24 11.700 5.324 0.452 1.00 0.00 H new ATOM 0 HB VAL A 24 11.954 2.418 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.778 1.902 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.774 2.879 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.565 3.642 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.236 2.126 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.131 3.876 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.025 3.272 0.357 1.00 0.00 H new ATOM 325 N VAL A 25 10.471 3.810 3.143 1.00 0.00 N ATOM 326 CA VAL A 25 9.309 3.738 4.020 1.00 0.00 C ATOM 327 C VAL A 25 8.888 5.135 4.467 1.00 0.00 C ATOM 328 O VAL A 25 7.702 5.407 4.659 1.00 0.00 O ATOM 329 CB VAL A 25 9.581 2.853 5.255 1.00 0.00 C ATOM 330 CG1 VAL A 25 10.398 3.601 6.283 1.00 0.00 C ATOM 331 CG2 VAL A 25 8.276 2.357 5.858 1.00 0.00 C ATOM 0 H VAL A 25 11.261 3.237 3.441 1.00 0.00 H new ATOM 0 HA VAL A 25 8.499 3.283 3.449 1.00 0.00 H new ATOM 0 HB VAL A 25 10.158 1.986 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.577 2.957 7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.352 3.895 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.855 4.491 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.490 1.735 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.669 3.209 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.733 1.770 5.117 1.00 0.00 H new ATOM 341 N GLY A 26 9.871 6.018 4.624 1.00 0.00 N ATOM 342 CA GLY A 26 9.586 7.380 5.032 1.00 0.00 C ATOM 343 C GLY A 26 8.782 8.127 3.989 1.00 0.00 C ATOM 344 O GLY A 26 7.813 8.812 4.319 1.00 0.00 O ATOM 0 H GLY A 26 10.859 5.813 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.037 7.369 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.522 7.907 5.215 1.00 0.00 H new ATOM 348 N TYR A 27 9.184 7.996 2.726 1.00 0.00 N ATOM 349 CA TYR A 27 8.483 8.659 1.632 1.00 0.00 C ATOM 350 C TYR A 27 7.035 8.184 1.563 1.00 0.00 C ATOM 351 O TYR A 27 6.133 8.961 1.256 1.00 0.00 O ATOM 352 CB TYR A 27 9.181 8.390 0.294 1.00 0.00 C ATOM 353 CG TYR A 27 10.573 8.980 0.193 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.803 10.322 0.471 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.656 8.192 -0.182 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.071 10.862 0.377 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.927 8.726 -0.277 1.00 0.00 C ATOM 358 CZ TYR A 27 13.129 10.061 0.004 1.00 0.00 C ATOM 359 OH TYR A 27 14.393 10.597 -0.090 1.00 0.00 O ATOM 0 H TYR A 27 9.988 7.439 2.437 1.00 0.00 H new ATOM 0 HA TYR A 27 8.498 9.732 1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.242 7.313 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.567 8.794 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.977 10.953 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.501 7.146 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.233 11.907 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.758 8.101 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 27 15.025 9.899 -0.363 1.00 0.00 H new ATOM 369 N LEU A 28 6.824 6.904 1.855 1.00 0.00 N ATOM 370 CA LEU A 28 5.486 6.324 1.832 1.00 0.00 C ATOM 371 C LEU A 28 4.579 7.033 2.830 1.00 0.00 C ATOM 372 O LEU A 28 3.452 7.404 2.502 1.00 0.00 O ATOM 373 CB LEU A 28 5.547 4.828 2.154 1.00 0.00 C ATOM 374 CG LEU A 28 6.356 3.982 1.168 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.442 2.541 1.649 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.743 4.045 -0.223 1.00 0.00 C ATOM 0 H LEU A 28 7.563 6.249 2.110 1.00 0.00 H new ATOM 0 HA LEU A 28 5.075 6.453 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.973 4.704 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.529 4.439 2.192 1.00 0.00 H new ATOM 0 HG LEU A 28 7.366 4.389 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.021 1.953 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.929 2.511 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.438 2.125 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.333 3.437 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.722 3.665 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.734 5.078 -0.570 1.00 0.00 H new ATOM 388 N GLU A 29 5.080 7.218 4.047 1.00 0.00 N ATOM 389 CA GLU A 29 4.317 7.886 5.095 1.00 0.00 C ATOM 390 C GLU A 29 3.903 9.285 4.655 1.00 0.00 C ATOM 391 O GLU A 29 2.781 9.722 4.914 1.00 0.00 O ATOM 392 CB GLU A 29 5.140 7.965 6.383 1.00 0.00 C ATOM 393 CG GLU A 29 5.512 6.606 6.949 1.00 0.00 C ATOM 394 CD GLU A 29 6.272 6.707 8.258 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.515 6.812 8.216 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.622 6.682 9.325 1.00 0.00 O ATOM 0 H GLU A 29 6.011 6.915 4.332 1.00 0.00 H new ATOM 0 HA GLU A 29 3.416 7.302 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.051 8.530 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.575 8.519 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.606 6.021 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.119 6.067 6.221 1.00 0.00 H new ATOM 403 N ASP A 30 4.816 9.985 3.989 1.00 0.00 N ATOM 404 CA ASP A 30 4.545 11.334 3.506 1.00 0.00 C ATOM 405 C ASP A 30 3.374 11.328 2.529 1.00 0.00 C ATOM 406 O ASP A 30 2.599 12.282 2.467 1.00 0.00 O ATOM 407 CB ASP A 30 5.787 11.918 2.830 1.00 0.00 C ATOM 408 CG ASP A 30 5.591 13.360 2.407 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.885 14.262 3.219 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.143 13.587 1.263 1.00 0.00 O ATOM 0 H ASP A 30 5.751 9.640 3.771 1.00 0.00 H new ATOM 0 HA ASP A 30 4.283 11.957 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.633 11.855 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.038 11.317 1.956 1.00 0.00 H new ATOM 415 N ILE A 31 3.255 10.244 1.768 1.00 0.00 N ATOM 416 CA ILE A 31 2.178 10.106 0.796 1.00 0.00 C ATOM 417 C ILE A 31 0.851 9.821 1.491 1.00 0.00 C ATOM 418 O ILE A 31 -0.190 10.348 1.104 1.00 0.00 O ATOM 419 CB ILE A 31 2.469 8.976 -0.213 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.809 9.218 -0.911 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.346 8.874 -1.236 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.307 8.020 -1.693 1.00 0.00 C ATOM 0 H ILE A 31 3.892 9.448 1.807 1.00 0.00 H new ATOM 0 HA ILE A 31 2.112 11.052 0.258 1.00 0.00 H new ATOM 0 HB ILE A 31 2.527 8.033 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.710 10.067 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.555 9.490 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.567 8.072 -1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.407 8.660 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.259 9.817 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.261 8.262 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.439 7.174 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.580 7.760 -2.463 1.00 0.00 H new ATOM 434 N ILE A 32 0.898 8.984 2.524 1.00 0.00 N ATOM 435 CA ILE A 32 -0.299 8.625 3.275 1.00 0.00 C ATOM 436 C ILE A 32 -0.946 9.854 3.906 1.00 0.00 C ATOM 437 O ILE A 32 -2.172 9.944 3.997 1.00 0.00 O ATOM 438 CB ILE A 32 0.020 7.596 4.379 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.663 6.347 3.768 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.244 7.227 5.146 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.199 5.375 4.796 1.00 0.00 C ATOM 0 H ILE A 32 1.754 8.542 2.860 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.997 8.180 2.565 1.00 0.00 H new ATOM 0 HB ILE A 32 0.726 8.043 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.073 5.837 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.477 6.653 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.000 6.500 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.664 8.121 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.973 6.795 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.639 4.516 4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.959 5.868 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.385 5.039 5.439 1.00 0.00 H new ATOM 453 N MET A 33 -0.119 10.801 4.337 1.00 0.00 N ATOM 454 CA MET A 33 -0.616 12.022 4.961 1.00 0.00 C ATOM 455 C MET A 33 -0.735 13.152 3.942 1.00 0.00 C ATOM 456 O MET A 33 -1.074 14.282 4.294 1.00 0.00 O ATOM 457 CB MET A 33 0.296 12.443 6.109 1.00 0.00 C ATOM 458 CG MET A 33 1.657 12.905 5.643 1.00 0.00 C ATOM 459 SD MET A 33 2.567 13.799 6.917 1.00 0.00 S ATOM 460 CE MET A 33 4.093 14.162 6.055 1.00 0.00 C ATOM 0 H MET A 33 0.897 10.747 4.266 1.00 0.00 H new ATOM 0 HA MET A 33 -1.610 11.815 5.357 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.182 13.246 6.670 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.418 11.605 6.795 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.240 12.040 5.326 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.538 13.547 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.532 15.074 6.460 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.790 13.335 6.186 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.887 14.299 4.993 1.00 0.00 H new ATOM 470 N ASP A 34 -0.453 12.840 2.681 1.00 0.00 N ATOM 471 CA ASP A 34 -0.537 13.830 1.615 1.00 0.00 C ATOM 472 C ASP A 34 -1.992 14.194 1.338 1.00 0.00 C ATOM 473 O ASP A 34 -2.851 13.318 1.240 1.00 0.00 O ATOM 474 CB ASP A 34 0.125 13.300 0.341 1.00 0.00 C ATOM 475 CG ASP A 34 0.189 14.344 -0.756 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.165 15.124 -0.778 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.736 14.384 -1.593 1.00 0.00 O ATOM 0 H ASP A 34 -0.165 11.911 2.374 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.008 14.727 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.134 12.960 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.429 12.433 -0.019 1.00 0.00 H new ATOM 482 N ASP A 35 -2.263 15.491 1.213 1.00 0.00 N ATOM 483 CA ASP A 35 -3.617 15.975 0.959 1.00 0.00 C ATOM 484 C ASP A 35 -4.227 15.321 -0.281 1.00 0.00 C ATOM 485 O ASP A 35 -5.352 14.824 -0.236 1.00 0.00 O ATOM 486 CB ASP A 35 -3.613 17.496 0.796 1.00 0.00 C ATOM 487 CG ASP A 35 -3.191 18.211 2.064 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.070 18.501 2.904 1.00 0.00 O ATOM 489 OD2 ASP A 35 -1.982 18.482 2.218 1.00 0.00 O ATOM 0 H ASP A 35 -1.561 16.227 1.284 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.230 15.703 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.938 17.770 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.610 17.831 0.508 1.00 0.00 H new ATOM 494 N GLU A 36 -3.481 15.328 -1.382 1.00 0.00 N ATOM 495 CA GLU A 36 -3.958 14.738 -2.631 1.00 0.00 C ATOM 496 C GLU A 36 -4.296 13.262 -2.450 1.00 0.00 C ATOM 497 O GLU A 36 -5.189 12.735 -3.115 1.00 0.00 O ATOM 498 CB GLU A 36 -2.908 14.902 -3.733 1.00 0.00 C ATOM 499 CG GLU A 36 -3.344 14.345 -5.079 1.00 0.00 C ATOM 500 CD GLU A 36 -4.599 15.010 -5.608 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.477 16.042 -6.301 1.00 0.00 O ATOM 502 OE2 GLU A 36 -5.705 14.501 -5.328 1.00 0.00 O ATOM 0 H GLU A 36 -2.547 15.734 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.867 15.264 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.675 15.961 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.989 14.404 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.537 14.475 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.518 13.273 -4.985 1.00 0.00 H new ATOM 509 N PHE A 37 -3.579 12.599 -1.549 1.00 0.00 N ATOM 510 CA PHE A 37 -3.803 11.181 -1.285 1.00 0.00 C ATOM 511 C PHE A 37 -5.057 10.972 -0.442 1.00 0.00 C ATOM 512 O PHE A 37 -5.777 9.990 -0.618 1.00 0.00 O ATOM 513 CB PHE A 37 -2.590 10.579 -0.574 1.00 0.00 C ATOM 514 CG PHE A 37 -2.743 9.121 -0.240 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.477 8.148 -1.190 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.150 8.724 1.025 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.614 6.807 -0.886 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.288 7.385 1.334 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.020 6.425 0.378 1.00 0.00 C ATOM 0 H PHE A 37 -2.838 13.020 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.945 10.677 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.710 10.707 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.407 11.135 0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.159 8.441 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.361 9.470 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.404 6.058 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.605 7.089 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.128 5.378 0.618 1.00 0.00 H new ATOM 529 N GLN A 38 -5.311 11.901 0.473 1.00 0.00 N ATOM 530 CA GLN A 38 -6.475 11.812 1.346 1.00 0.00 C ATOM 531 C GLN A 38 -7.772 11.966 0.557 1.00 0.00 C ATOM 532 O GLN A 38 -8.724 11.211 0.757 1.00 0.00 O ATOM 533 CB GLN A 38 -6.396 12.876 2.442 1.00 0.00 C ATOM 534 CG GLN A 38 -5.213 12.692 3.378 1.00 0.00 C ATOM 535 CD GLN A 38 -5.189 13.713 4.499 1.00 0.00 C ATOM 536 OE1 GLN A 38 -5.663 14.838 4.342 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.633 13.323 5.641 1.00 0.00 N ATOM 0 H GLN A 38 -4.727 12.723 0.629 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.475 10.824 1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.333 13.860 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.317 12.856 3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.246 11.690 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.288 12.765 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.252 12.381 5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.587 13.966 6.431 1.00 0.00 H new ATOM 546 N LEU A 39 -7.805 12.948 -0.338 1.00 0.00 N ATOM 547 CA LEU A 39 -8.989 13.200 -1.153 1.00 0.00 C ATOM 548 C LEU A 39 -9.212 12.081 -2.167 1.00 0.00 C ATOM 549 O LEU A 39 -10.329 11.585 -2.318 1.00 0.00 O ATOM 550 CB LEU A 39 -8.863 14.544 -1.875 1.00 0.00 C ATOM 551 CG LEU A 39 -10.040 14.907 -2.785 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.326 15.028 -1.979 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.753 16.199 -3.533 1.00 0.00 C ATOM 0 H LEU A 39 -7.026 13.582 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.851 13.232 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.745 15.330 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.952 14.533 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.170 14.108 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.150 15.286 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.539 14.078 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.211 15.807 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.599 16.443 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.596 17.006 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.858 16.075 -4.143 1.00 0.00 H new ATOM 565 N LEU A 40 -8.147 11.688 -2.861 1.00 0.00 N ATOM 566 CA LEU A 40 -8.233 10.632 -3.868 1.00 0.00 C ATOM 567 C LEU A 40 -8.682 9.308 -3.253 1.00 0.00 C ATOM 568 O LEU A 40 -9.585 8.651 -3.770 1.00 0.00 O ATOM 569 CB LEU A 40 -6.879 10.451 -4.569 1.00 0.00 C ATOM 570 CG LEU A 40 -6.768 9.217 -5.474 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.926 9.525 -6.702 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.172 8.043 -4.710 1.00 0.00 C ATOM 0 H LEU A 40 -7.214 12.084 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.980 10.935 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.677 11.339 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.100 10.395 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.772 8.946 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.860 8.637 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.388 10.335 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.925 9.825 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.102 7.178 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.177 8.309 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.810 7.801 -3.860 1.00 0.00 H new ATOM 584 N GLN A 41 -8.045 8.921 -2.153 1.00 0.00 N ATOM 585 CA GLN A 41 -8.365 7.666 -1.481 1.00 0.00 C ATOM 586 C GLN A 41 -9.842 7.592 -1.100 1.00 0.00 C ATOM 587 O GLN A 41 -10.531 6.635 -1.452 1.00 0.00 O ATOM 588 CB GLN A 41 -7.496 7.496 -0.235 1.00 0.00 C ATOM 589 CG GLN A 41 -7.630 6.131 0.420 1.00 0.00 C ATOM 590 CD GLN A 41 -7.221 5.000 -0.503 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.372 5.171 -1.377 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.826 3.833 -0.313 1.00 0.00 N ATOM 0 H GLN A 41 -7.302 9.459 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.158 6.856 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.453 7.659 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.761 8.265 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.015 6.102 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.663 5.983 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.525 3.735 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.592 3.035 -0.904 1.00 0.00 H new ATOM 601 N ARG A 42 -10.324 8.602 -0.385 1.00 0.00 N ATOM 602 CA ARG A 42 -11.720 8.637 0.044 1.00 0.00 C ATOM 603 C ARG A 42 -12.664 8.758 -1.149 1.00 0.00 C ATOM 604 O ARG A 42 -13.781 8.239 -1.122 1.00 0.00 O ATOM 605 CB ARG A 42 -11.953 9.797 1.013 1.00 0.00 C ATOM 606 CG ARG A 42 -11.172 9.674 2.311 1.00 0.00 C ATOM 607 CD ARG A 42 -11.596 10.731 3.317 1.00 0.00 C ATOM 608 NE ARG A 42 -10.852 10.631 4.570 1.00 0.00 N ATOM 609 CZ ARG A 42 -11.190 11.278 5.682 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.259 12.065 5.697 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.462 11.139 6.781 1.00 0.00 N ATOM 0 H ARG A 42 -9.771 9.407 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.933 7.698 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.679 10.730 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.017 9.858 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.325 8.682 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.106 9.772 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.447 11.721 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.662 10.629 3.520 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.027 10.031 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.823 12.175 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.516 12.560 6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.640 10.535 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.724 11.636 7.632 1.00 0.00 H new ATOM 625 N ASN A 43 -12.212 9.446 -2.193 1.00 0.00 N ATOM 626 CA ASN A 43 -13.023 9.638 -3.391 1.00 0.00 C ATOM 627 C ASN A 43 -13.399 8.298 -4.017 1.00 0.00 C ATOM 628 O ASN A 43 -14.562 8.061 -4.345 1.00 0.00 O ATOM 629 CB ASN A 43 -12.271 10.498 -4.410 1.00 0.00 C ATOM 630 CG ASN A 43 -13.149 10.933 -5.568 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.099 10.244 -5.939 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.832 12.085 -6.148 1.00 0.00 N ATOM 0 H ASN A 43 -11.290 9.879 -2.234 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.940 10.151 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.871 11.381 -3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.420 9.937 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.385 12.430 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.036 12.625 -5.808 1.00 0.00 H new ATOM 639 N PHE A 44 -12.409 7.424 -4.180 1.00 0.00 N ATOM 640 CA PHE A 44 -12.642 6.111 -4.769 1.00 0.00 C ATOM 641 C PHE A 44 -13.289 5.164 -3.765 1.00 0.00 C ATOM 642 O PHE A 44 -14.178 4.391 -4.117 1.00 0.00 O ATOM 643 CB PHE A 44 -11.333 5.514 -5.289 1.00 0.00 C ATOM 644 CG PHE A 44 -10.885 6.099 -6.599 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.326 5.558 -7.798 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.030 7.188 -6.635 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.919 6.093 -9.007 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.620 7.728 -7.841 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.067 7.179 -9.028 1.00 0.00 C ATOM 0 H PHE A 44 -11.441 7.602 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.327 6.240 -5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.552 5.669 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.455 4.437 -5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.994 4.710 -7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.679 7.621 -5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.267 5.661 -9.934 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.952 8.577 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.750 7.599 -9.971 1.00 0.00 H new ATOM 659 N MET A 45 -12.839 5.227 -2.514 1.00 0.00 N ATOM 660 CA MET A 45 -13.386 4.373 -1.464 1.00 0.00 C ATOM 661 C MET A 45 -14.894 4.561 -1.340 1.00 0.00 C ATOM 662 O MET A 45 -15.605 3.665 -0.886 1.00 0.00 O ATOM 663 CB MET A 45 -12.709 4.670 -0.125 1.00 0.00 C ATOM 664 CG MET A 45 -11.317 4.072 0.001 1.00 0.00 C ATOM 665 SD MET A 45 -10.553 4.414 1.598 1.00 0.00 S ATOM 666 CE MET A 45 -11.699 3.598 2.708 1.00 0.00 C ATOM 0 H MET A 45 -12.100 5.858 -2.204 1.00 0.00 H new ATOM 0 HA MET A 45 -13.189 3.336 -1.737 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.644 5.750 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.334 4.286 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.375 2.993 -0.146 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.683 4.468 -0.792 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.203 3.392 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.560 4.244 2.882 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.033 2.661 2.262 1.00 0.00 H new ATOM 676 N ASP A 46 -15.374 5.732 -1.748 1.00 0.00 N ATOM 677 CA ASP A 46 -16.798 6.040 -1.692 1.00 0.00 C ATOM 678 C ASP A 46 -17.579 5.154 -2.657 1.00 0.00 C ATOM 679 O ASP A 46 -18.739 4.826 -2.415 1.00 0.00 O ATOM 680 CB ASP A 46 -17.035 7.516 -2.024 1.00 0.00 C ATOM 681 CG ASP A 46 -18.508 7.880 -2.043 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.041 8.250 -0.975 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.126 7.796 -3.124 1.00 0.00 O ATOM 0 H ASP A 46 -14.796 6.484 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.151 5.844 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.520 8.137 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.596 7.741 -2.996 1.00 0.00 H new ATOM 688 N LYS A 47 -16.935 4.777 -3.757 1.00 0.00 N ATOM 689 CA LYS A 47 -17.563 3.929 -4.765 1.00 0.00 C ATOM 690 C LYS A 47 -17.378 2.449 -4.437 1.00 0.00 C ATOM 691 O LYS A 47 -18.306 1.651 -4.578 1.00 0.00 O ATOM 692 CB LYS A 47 -16.973 4.233 -6.146 1.00 0.00 C ATOM 693 CG LYS A 47 -17.585 3.411 -7.271 1.00 0.00 C ATOM 694 CD LYS A 47 -19.033 3.802 -7.536 1.00 0.00 C ATOM 695 CE LYS A 47 -19.138 5.209 -8.104 1.00 0.00 C ATOM 696 NZ LYS A 47 -18.375 5.353 -9.374 1.00 0.00 N ATOM 0 H LYS A 47 -15.975 5.046 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.631 4.145 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.112 5.292 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.899 4.052 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.000 3.547 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.535 2.352 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.480 3.093 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.603 3.740 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.186 5.452 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.764 5.925 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.692 6.207 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.360 5.433 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.539 4.519 -9.974 1.00 0.00 H new ATOM 710 N TYR A 48 -16.176 2.090 -3.998 1.00 0.00 N ATOM 711 CA TYR A 48 -15.863 0.705 -3.658 1.00 0.00 C ATOM 712 C TYR A 48 -16.776 0.170 -2.556 1.00 0.00 C ATOM 713 O TYR A 48 -17.345 -0.912 -2.686 1.00 0.00 O ATOM 714 CB TYR A 48 -14.403 0.584 -3.216 1.00 0.00 C ATOM 715 CG TYR A 48 -13.409 0.559 -4.357 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.257 1.653 -5.201 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.615 -0.557 -4.583 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.342 1.633 -6.237 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.699 -0.585 -5.617 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.566 0.512 -6.441 1.00 0.00 C ATOM 721 OH TYR A 48 -10.653 0.487 -7.468 1.00 0.00 O ATOM 0 H TYR A 48 -15.401 2.740 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.027 0.106 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.164 1.420 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.287 -0.327 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.864 2.533 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.715 -1.418 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.236 2.492 -6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.090 -1.462 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.914 1.098 -7.264 1.00 0.00 H new ATOM 731 N TYR A 49 -16.912 0.929 -1.472 1.00 0.00 N ATOM 732 CA TYR A 49 -17.743 0.504 -0.349 1.00 0.00 C ATOM 733 C TYR A 49 -19.223 0.454 -0.729 1.00 0.00 C ATOM 734 O TYR A 49 -20.027 -0.167 -0.035 1.00 0.00 O ATOM 735 CB TYR A 49 -17.521 1.425 0.861 1.00 0.00 C ATOM 736 CG TYR A 49 -18.597 2.473 1.064 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.572 3.670 0.362 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.633 2.264 1.967 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.549 4.629 0.552 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.614 3.216 2.162 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.568 4.397 1.452 1.00 0.00 C ATOM 742 OH TYR A 49 -21.542 5.349 1.644 1.00 0.00 O ATOM 0 H TYR A 49 -16.461 1.835 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.443 -0.508 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.455 0.812 1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.560 1.927 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.776 3.855 -0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.671 1.341 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.515 5.556 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.413 3.037 2.867 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.186 5.029 2.310 1.00 0.00 H new ATOM 752 N LEU A 50 -19.581 1.106 -1.833 1.00 0.00 N ATOM 753 CA LEU A 50 -20.970 1.120 -2.287 1.00 0.00 C ATOM 754 C LEU A 50 -21.334 -0.185 -2.983 1.00 0.00 C ATOM 755 O LEU A 50 -22.329 -0.824 -2.640 1.00 0.00 O ATOM 756 CB LEU A 50 -21.216 2.299 -3.234 1.00 0.00 C ATOM 757 CG LEU A 50 -21.504 3.633 -2.544 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.623 4.749 -3.571 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.773 3.537 -1.713 1.00 0.00 C ATOM 0 H LEU A 50 -18.935 1.627 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.604 1.231 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.342 2.420 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.056 2.054 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.672 3.865 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.828 5.691 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.689 4.833 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.437 4.524 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.964 4.495 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.613 3.284 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.653 2.764 -0.954 1.00 0.00 H new ATOM 771 N GLU A 51 -20.525 -0.577 -3.958 1.00 0.00 N ATOM 772 CA GLU A 51 -20.764 -1.809 -4.698 1.00 0.00 C ATOM 773 C GLU A 51 -20.544 -3.023 -3.807 1.00 0.00 C ATOM 774 O GLU A 51 -21.272 -4.012 -3.890 1.00 0.00 O ATOM 775 CB GLU A 51 -19.849 -1.872 -5.921 1.00 0.00 C ATOM 776 CG GLU A 51 -18.367 -1.864 -5.585 1.00 0.00 C ATOM 777 CD GLU A 51 -17.504 -1.464 -6.767 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.838 -1.855 -7.906 1.00 0.00 O ATOM 779 OE2 GLU A 51 -16.500 -0.753 -6.555 1.00 0.00 O ATOM 0 H GLU A 51 -19.698 -0.060 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.801 -1.817 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.078 -2.775 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.068 -1.024 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.189 -1.175 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.070 -2.855 -5.242 1.00 0.00 H new ATOM 786 N PHE A 52 -19.535 -2.933 -2.950 1.00 0.00 N ATOM 787 CA PHE A 52 -19.213 -4.017 -2.029 1.00 0.00 C ATOM 788 C PHE A 52 -20.303 -4.179 -0.975 1.00 0.00 C ATOM 789 O PHE A 52 -20.267 -3.535 0.074 1.00 0.00 O ATOM 790 CB PHE A 52 -17.867 -3.765 -1.346 1.00 0.00 C ATOM 791 CG PHE A 52 -16.708 -4.433 -2.027 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.338 -5.723 -1.682 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.986 -3.772 -3.006 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.270 -6.343 -2.303 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.916 -4.386 -3.630 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.558 -5.672 -3.278 1.00 0.00 C ATOM 0 H PHE A 52 -18.924 -2.120 -2.873 1.00 0.00 H new ATOM 0 HA PHE A 52 -19.149 -4.937 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.685 -2.691 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.922 -4.115 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.891 -6.250 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -16.262 -2.766 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.993 -7.350 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.361 -3.860 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.722 -6.153 -3.764 1.00 0.00 H new ATOM 806 N GLU A 53 -21.277 -5.035 -1.265 1.00 0.00 N ATOM 807 CA GLU A 53 -22.374 -5.284 -0.337 1.00 0.00 C ATOM 808 C GLU A 53 -22.196 -6.631 0.355 1.00 0.00 C ATOM 809 O GLU A 53 -21.802 -7.614 -0.272 1.00 0.00 O ATOM 810 CB GLU A 53 -23.715 -5.247 -1.073 1.00 0.00 C ATOM 811 CG GLU A 53 -23.821 -6.258 -2.203 1.00 0.00 C ATOM 812 CD GLU A 53 -25.177 -6.233 -2.882 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.115 -6.870 -2.358 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.300 -5.575 -3.937 1.00 0.00 O ATOM 0 H GLU A 53 -21.329 -5.567 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.366 -4.499 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.517 -5.430 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.870 -4.247 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.045 -6.055 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.634 -7.257 -1.810 1.00 0.00 H new ATOM 821 N ASP A 54 -22.485 -6.668 1.651 1.00 0.00 N ATOM 822 CA ASP A 54 -22.359 -7.887 2.427 1.00 0.00 C ATOM 823 C ASP A 54 -23.451 -8.885 2.049 1.00 0.00 C ATOM 824 O ASP A 54 -24.614 -8.720 2.417 1.00 0.00 O ATOM 825 CB ASP A 54 -22.430 -7.555 3.915 1.00 0.00 C ATOM 826 CG ASP A 54 -23.681 -6.780 4.281 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.701 -5.550 4.068 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.641 -7.404 4.780 1.00 0.00 O ATOM 0 H ASP A 54 -22.809 -5.861 2.185 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.395 -8.346 2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.398 -8.479 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.552 -6.974 4.196 1.00 0.00 H new ATOM 833 N THR A 55 -23.068 -9.919 1.305 1.00 0.00 N ATOM 834 CA THR A 55 -24.012 -10.943 0.875 1.00 0.00 C ATOM 835 C THR A 55 -23.496 -12.340 1.203 1.00 0.00 C ATOM 836 O THR A 55 -22.356 -12.506 1.636 1.00 0.00 O ATOM 837 CB THR A 55 -24.289 -10.856 -0.639 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.071 -11.035 -1.372 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.911 -9.514 -0.999 1.00 0.00 C ATOM 0 H THR A 55 -22.110 -10.069 0.988 1.00 0.00 H new ATOM 0 HA THR A 55 -24.940 -10.762 1.418 1.00 0.00 H new ATOM 0 HB THR A 55 -24.991 -11.647 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.256 -10.980 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.098 -9.476 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.852 -9.394 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.229 -8.711 -0.720 1.00 0.00 H new ATOM 847 N GLU A 56 -24.345 -13.340 0.993 1.00 0.00 N ATOM 848 CA GLU A 56 -23.980 -14.725 1.265 1.00 0.00 C ATOM 849 C GLU A 56 -23.533 -15.431 -0.013 1.00 0.00 C ATOM 850 O GLU A 56 -23.246 -16.628 -0.006 1.00 0.00 O ATOM 851 CB GLU A 56 -25.162 -15.468 1.890 1.00 0.00 C ATOM 852 CG GLU A 56 -26.417 -15.443 1.033 1.00 0.00 C ATOM 853 CD GLU A 56 -27.581 -16.166 1.682 1.00 0.00 C ATOM 854 OE1 GLU A 56 -28.327 -15.521 2.449 1.00 0.00 O ATOM 855 OE2 GLU A 56 -27.747 -17.376 1.422 1.00 0.00 O ATOM 0 H GLU A 56 -25.292 -13.217 0.635 1.00 0.00 H new ATOM 0 HA GLU A 56 -23.146 -14.727 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.875 -16.504 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.386 -15.026 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -26.699 -14.408 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -26.202 -15.901 0.068 1.00 0.00 H new ATOM 862 N GLU A 57 -23.472 -14.677 -1.108 1.00 0.00 N ATOM 863 CA GLU A 57 -23.063 -15.227 -2.397 1.00 0.00 C ATOM 864 C GLU A 57 -21.757 -14.602 -2.875 1.00 0.00 C ATOM 865 O GLU A 57 -21.402 -13.493 -2.475 1.00 0.00 O ATOM 866 CB GLU A 57 -24.156 -15.006 -3.442 1.00 0.00 C ATOM 867 CG GLU A 57 -25.352 -15.926 -3.271 1.00 0.00 C ATOM 868 CD GLU A 57 -25.037 -17.366 -3.627 1.00 0.00 C ATOM 869 OE1 GLU A 57 -24.595 -18.116 -2.731 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.234 -17.744 -4.801 1.00 0.00 O ATOM 0 H GLU A 57 -23.701 -13.683 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.903 -16.297 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.493 -13.971 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.733 -15.154 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -25.697 -15.878 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -26.171 -15.572 -3.898 1.00 0.00 H new ATOM 877 N ASN A 58 -21.048 -15.328 -3.732 1.00 0.00 N ATOM 878 CA ASN A 58 -19.780 -14.854 -4.275 1.00 0.00 C ATOM 879 C ASN A 58 -19.961 -14.325 -5.694 1.00 0.00 C ATOM 880 O ASN A 58 -20.135 -15.098 -6.638 1.00 0.00 O ATOM 881 CB ASN A 58 -18.744 -15.981 -4.263 1.00 0.00 C ATOM 882 CG ASN A 58 -17.403 -15.544 -4.822 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.154 -15.650 -6.023 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.529 -15.052 -3.950 1.00 0.00 N ATOM 0 H ASN A 58 -21.331 -16.249 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.424 -14.038 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.610 -16.336 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -19.120 -16.822 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.610 -14.744 -4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.777 -14.982 -2.963 1.00 0.00 H new ATOM 891 N LYS A 59 -19.922 -13.004 -5.838 1.00 0.00 N ATOM 892 CA LYS A 59 -20.086 -12.370 -7.144 1.00 0.00 C ATOM 893 C LYS A 59 -18.756 -12.292 -7.886 1.00 0.00 C ATOM 894 O LYS A 59 -17.699 -12.147 -7.275 1.00 0.00 O ATOM 895 CB LYS A 59 -20.674 -10.967 -6.983 1.00 0.00 C ATOM 896 CG LYS A 59 -21.986 -10.940 -6.216 1.00 0.00 C ATOM 897 CD LYS A 59 -22.542 -9.528 -6.104 1.00 0.00 C ATOM 898 CE LYS A 59 -23.303 -9.120 -7.357 1.00 0.00 C ATOM 899 NZ LYS A 59 -22.415 -9.025 -8.550 1.00 0.00 N ATOM 0 H LYS A 59 -19.778 -12.351 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.772 -12.981 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.949 -10.336 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.831 -10.533 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.713 -11.579 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.833 -11.351 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.204 -9.465 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.725 -8.828 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.094 -9.845 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.787 -8.158 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.788 -8.307 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.457 -8.755 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.380 -9.946 -9.031 1.00 0.00 H new ATOM 913 N LEU A 60 -18.819 -12.389 -9.209 1.00 0.00 N ATOM 914 CA LEU A 60 -17.622 -12.326 -10.040 1.00 0.00 C ATOM 915 C LEU A 60 -17.182 -10.880 -10.245 1.00 0.00 C ATOM 916 O LEU A 60 -16.106 -10.619 -10.784 1.00 0.00 O ATOM 917 CB LEU A 60 -17.874 -12.995 -11.397 1.00 0.00 C ATOM 918 CG LEU A 60 -17.969 -14.526 -11.375 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.701 -15.137 -10.795 1.00 0.00 C ATOM 920 CD2 LEU A 60 -19.189 -14.982 -10.589 1.00 0.00 C ATOM 0 H LEU A 60 -19.687 -12.512 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.825 -12.862 -9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.801 -12.598 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.072 -12.709 -12.077 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.077 -14.872 -12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.790 -16.223 -10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.845 -14.847 -11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.558 -14.779 -9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -19.235 -16.071 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.117 -14.621 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.091 -14.582 -11.052 1.00 0.00 H new ATOM 932 N ILE A 61 -18.022 -9.945 -9.813 1.00 0.00 N ATOM 933 CA ILE A 61 -17.726 -8.523 -9.951 1.00 0.00 C ATOM 934 C ILE A 61 -16.530 -8.112 -9.091 1.00 0.00 C ATOM 935 O ILE A 61 -15.944 -7.049 -9.294 1.00 0.00 O ATOM 936 CB ILE A 61 -18.948 -7.659 -9.568 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.742 -6.207 -10.007 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.207 -7.731 -8.068 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.657 -6.034 -11.510 1.00 0.00 C ATOM 0 H ILE A 61 -18.915 -10.147 -9.363 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.481 -8.353 -10.999 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.821 -8.054 -10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.564 -5.601 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.827 -5.825 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.072 -7.116 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.402 -8.764 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.333 -7.364 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.511 -4.980 -11.747 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.818 -6.613 -11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.581 -6.385 -11.969 1.00 0.00 H new ATOM 951 N TYR A 62 -16.164 -8.964 -8.139 1.00 0.00 N ATOM 952 CA TYR A 62 -15.039 -8.675 -7.254 1.00 0.00 C ATOM 953 C TYR A 62 -13.710 -8.746 -8.003 1.00 0.00 C ATOM 954 O TYR A 62 -12.703 -8.205 -7.544 1.00 0.00 O ATOM 955 CB TYR A 62 -15.024 -9.647 -6.070 1.00 0.00 C ATOM 956 CG TYR A 62 -16.284 -9.610 -5.231 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.881 -8.402 -4.882 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.878 -10.784 -4.789 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.032 -8.370 -4.119 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.030 -10.760 -4.025 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.603 -9.550 -3.693 1.00 0.00 C ATOM 962 OH TYR A 62 -19.750 -9.521 -2.935 1.00 0.00 O ATOM 0 H TYR A 62 -16.626 -9.855 -7.960 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.166 -7.659 -6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.879 -10.660 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.169 -9.417 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.437 -7.475 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.432 -11.733 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -18.483 -7.424 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.479 -11.683 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.022 -10.437 -2.719 1.00 0.00 H new ATOM 972 N THR A 63 -13.710 -9.411 -9.156 1.00 0.00 N ATOM 973 CA THR A 63 -12.495 -9.546 -9.955 1.00 0.00 C ATOM 974 C THR A 63 -12.140 -8.235 -10.667 1.00 0.00 C ATOM 975 O THR A 63 -11.013 -7.754 -10.543 1.00 0.00 O ATOM 976 CB THR A 63 -12.619 -10.685 -10.989 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.967 -11.908 -10.330 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.315 -10.871 -11.752 1.00 0.00 C ATOM 0 H THR A 63 -14.533 -9.862 -9.556 1.00 0.00 H new ATOM 0 HA THR A 63 -11.691 -9.793 -9.262 1.00 0.00 H new ATOM 0 HB THR A 63 -13.402 -10.416 -11.698 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.046 -12.626 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.428 -11.679 -12.474 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.065 -9.948 -12.276 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.516 -11.119 -11.053 1.00 0.00 H new ATOM 986 N PRO A 64 -13.081 -7.630 -11.426 1.00 0.00 N ATOM 987 CA PRO A 64 -12.821 -6.365 -12.123 1.00 0.00 C ATOM 988 C PRO A 64 -12.551 -5.225 -11.147 1.00 0.00 C ATOM 989 O PRO A 64 -11.636 -4.427 -11.349 1.00 0.00 O ATOM 990 CB PRO A 64 -14.110 -6.102 -12.909 1.00 0.00 C ATOM 991 CG PRO A 64 -15.152 -6.909 -12.216 1.00 0.00 C ATOM 992 CD PRO A 64 -14.445 -8.124 -11.690 1.00 0.00 C ATOM 0 HA PRO A 64 -11.936 -6.425 -12.756 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.365 -5.042 -12.907 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.006 -6.403 -13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.611 -6.342 -11.406 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.951 -7.188 -12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.918 -8.505 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.446 -8.937 -12.416 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.353 -5.157 -10.085 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.193 -4.116 -9.074 1.00 0.00 C ATOM 1002 C ILE A 65 -11.790 -4.153 -8.476 1.00 0.00 C ATOM 1003 O ILE A 65 -11.129 -3.120 -8.354 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.230 -4.263 -7.944 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.650 -4.190 -8.511 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.022 -3.187 -6.888 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.716 -4.627 -7.529 1.00 0.00 C ATOM 0 H ILE A 65 -14.117 -5.808 -9.904 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.350 -3.159 -9.572 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.095 -5.237 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.855 -3.167 -8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.710 -4.815 -9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.763 -3.305 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.022 -3.281 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.132 -2.203 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.697 -4.549 -7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.536 -5.660 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.684 -3.986 -6.648 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.344 -5.348 -8.101 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.017 -5.522 -7.520 1.00 0.00 C ATOM 1021 C PHE A 66 -8.946 -4.979 -8.461 1.00 0.00 C ATOM 1022 O PHE A 66 -8.024 -4.284 -8.035 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.758 -7.002 -7.227 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.449 -7.266 -6.536 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.333 -7.115 -5.164 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.338 -7.670 -7.259 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.133 -7.360 -4.526 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.135 -7.917 -6.626 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.032 -7.763 -5.258 1.00 0.00 C ATOM 0 H PHE A 66 -11.882 -6.210 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.974 -4.964 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.568 -7.387 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.781 -7.557 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.191 -6.802 -4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.413 -7.793 -8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.055 -7.237 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.276 -8.230 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.093 -7.957 -4.761 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.080 -5.301 -9.744 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.130 -4.852 -10.755 1.00 0.00 C ATOM 1041 C ASN A 67 -8.050 -3.329 -10.790 1.00 0.00 C ATOM 1042 O ASN A 67 -6.988 -2.761 -11.045 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.535 -5.386 -12.130 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.595 -6.901 -12.171 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.719 -7.551 -11.413 1.00 0.00 O flip ATOM 1046 ND2 ASN A 67 -9.420 -7.480 -12.877 1.00 0.00 N flip ATOM 0 H ASN A 67 -9.841 -5.874 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.146 -5.241 -10.495 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.509 -4.980 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.824 -5.034 -12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.074 -6.941 -13.444 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.449 -8.499 -12.896 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.178 -2.675 -10.532 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.234 -1.217 -10.534 1.00 0.00 C ATOM 1055 C GLU A 68 -8.424 -0.642 -9.375 1.00 0.00 C ATOM 1056 O GLU A 68 -7.758 0.382 -9.519 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.686 -0.741 -10.445 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.834 0.771 -10.486 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.284 1.215 -10.466 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.864 1.300 -9.363 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.840 1.478 -11.553 1.00 0.00 O ATOM 0 H GLU A 68 -10.065 -3.131 -10.319 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.801 -0.861 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.253 -1.176 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.127 -1.116 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.312 1.207 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.352 1.155 -11.385 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.489 -1.311 -8.228 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.761 -0.875 -7.039 1.00 0.00 C ATOM 1070 C TYR A 69 -6.254 -1.013 -7.245 1.00 0.00 C ATOM 1071 O TYR A 69 -5.468 -0.184 -6.779 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.201 -1.701 -5.829 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.699 -1.169 -4.506 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.431 -0.227 -3.794 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.497 -1.611 -3.967 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.978 0.260 -2.582 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.038 -1.129 -2.756 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.781 -0.195 -2.069 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.327 0.289 -0.862 1.00 0.00 O ATOM 0 H TYR A 69 -9.040 -2.159 -8.096 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.988 0.176 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.290 -1.738 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.850 -2.725 -5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.369 0.130 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.912 -2.343 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.558 0.992 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.102 -1.483 -2.351 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.785 -0.396 -0.418 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.858 -2.070 -7.945 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.451 -2.329 -8.218 1.00 0.00 C ATOM 1091 C ILE A 70 -3.909 -1.373 -9.277 1.00 0.00 C ATOM 1092 O ILE A 70 -2.723 -1.049 -9.286 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.227 -3.782 -8.679 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.840 -4.763 -7.672 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.741 -4.063 -8.865 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.264 -4.651 -6.274 1.00 0.00 C ATOM 0 H ILE A 70 -6.496 -2.764 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.912 -2.168 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.723 -3.919 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.916 -4.595 -7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.692 -5.780 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.604 -5.094 -9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.334 -3.388 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.220 -3.909 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.749 -5.377 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.193 -4.849 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.436 -3.646 -5.889 1.00 0.00 H new ATOM 1108 N SER A 71 -4.780 -0.929 -10.176 1.00 0.00 N ATOM 1109 CA SER A 71 -4.377 -0.016 -11.236 1.00 0.00 C ATOM 1110 C SER A 71 -4.432 1.436 -10.767 1.00 0.00 C ATOM 1111 O SER A 71 -3.697 2.287 -11.268 1.00 0.00 O ATOM 1112 CB SER A 71 -5.274 -0.198 -12.460 1.00 0.00 C ATOM 1113 OG SER A 71 -5.191 -1.522 -12.962 1.00 0.00 O ATOM 0 H SER A 71 -5.767 -1.186 -10.191 1.00 0.00 H new ATOM 0 HA SER A 71 -3.347 -0.250 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.307 0.030 -12.195 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.981 0.508 -13.237 1.00 0.00 H new ATOM 0 HG SER A 71 -5.754 -2.113 -12.420 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.316 1.717 -9.816 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.469 3.070 -9.292 1.00 0.00 C ATOM 1121 C LEU A 72 -4.548 3.325 -8.097 1.00 0.00 C ATOM 1122 O LEU A 72 -3.655 4.170 -8.158 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.932 3.303 -8.885 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.363 4.769 -8.703 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.730 5.377 -7.460 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.017 5.590 -9.938 1.00 0.00 C ATOM 0 H LEU A 72 -5.937 1.027 -9.393 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.187 3.769 -10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.574 2.849 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.116 2.774 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.445 4.785 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.053 6.413 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.039 4.812 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.644 5.342 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.330 6.623 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.941 5.558 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.532 5.177 -10.805 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.765 2.576 -7.018 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.991 2.746 -5.790 1.00 0.00 C ATOM 1140 C VAL A 73 -2.564 2.216 -5.895 1.00 0.00 C ATOM 1141 O VAL A 73 -1.606 2.975 -5.751 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.679 2.053 -4.602 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.936 2.344 -3.304 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.133 2.487 -4.502 1.00 0.00 C ATOM 0 H VAL A 73 -5.473 1.843 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.942 3.823 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.654 0.976 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.440 1.844 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.912 1.977 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.924 3.419 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.605 1.987 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.181 3.566 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.657 2.219 -5.420 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.424 0.916 -6.139 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.100 0.301 -6.222 1.00 0.00 C ATOM 1156 C GLU A 74 -0.198 1.048 -7.200 1.00 0.00 C ATOM 1157 O GLU A 74 0.988 1.249 -6.933 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.207 -1.171 -6.623 1.00 0.00 C ATOM 1159 CG GLU A 74 0.112 -1.921 -6.518 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.021 -3.390 -6.863 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.489 -4.163 -6.001 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.343 -3.768 -7.996 1.00 0.00 O ATOM 0 H GLU A 74 -3.202 0.272 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.650 0.362 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.946 -1.660 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.573 -1.235 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.841 -1.460 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.501 -1.824 -5.504 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.761 1.460 -8.329 1.00 0.00 N ATOM 1170 CA LYS A 75 0.005 2.188 -9.332 1.00 0.00 C ATOM 1171 C LYS A 75 0.309 3.603 -8.855 1.00 0.00 C ATOM 1172 O LYS A 75 1.337 4.178 -9.211 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.750 2.227 -10.662 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.966 0.855 -11.280 1.00 0.00 C ATOM 1175 CD LYS A 75 0.354 0.184 -11.632 1.00 0.00 C ATOM 1176 CE LYS A 75 0.136 -1.164 -12.300 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.628 -1.038 -13.572 1.00 0.00 N ATOM 0 H LYS A 75 -1.739 1.304 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 75 0.949 1.665 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.718 2.703 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.198 2.850 -11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.521 0.225 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.576 0.952 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.926 0.832 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.948 0.051 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.101 -1.629 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.401 -1.824 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.525 -1.912 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.633 -0.879 -13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.259 -0.235 -14.120 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.590 4.163 -8.048 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.403 5.508 -7.519 1.00 0.00 C ATOM 1193 C TYR A 76 0.855 5.580 -6.657 1.00 0.00 C ATOM 1194 O TYR A 76 1.631 6.531 -6.756 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.625 5.938 -6.703 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.569 7.375 -6.233 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.964 8.413 -7.067 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.123 7.692 -4.957 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.916 9.727 -6.643 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.072 9.004 -4.524 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.470 10.017 -5.371 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.421 11.325 -4.945 1.00 0.00 O ATOM 0 H TYR A 76 -1.451 3.706 -7.748 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.286 6.190 -8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.522 5.797 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.719 5.285 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.315 8.189 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.811 6.901 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.226 10.523 -7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.723 9.234 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.085 11.357 -4.025 1.00 0.00 H new ATOM 1212 N ILE A 77 1.054 4.569 -5.813 1.00 0.00 N ATOM 1213 CA ILE A 77 2.224 4.522 -4.939 1.00 0.00 C ATOM 1214 C ILE A 77 3.504 4.350 -5.752 1.00 0.00 C ATOM 1215 O ILE A 77 4.482 5.070 -5.548 1.00 0.00 O ATOM 1216 CB ILE A 77 2.124 3.373 -3.911 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.871 3.534 -3.045 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.374 3.328 -3.041 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.626 2.370 -2.104 1.00 0.00 C ATOM 0 H ILE A 77 0.422 3.774 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 77 2.255 5.471 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 77 2.047 2.430 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.959 4.450 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.004 3.653 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.288 2.513 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.249 3.166 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.480 4.273 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.278 2.555 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.505 1.454 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.475 2.263 -1.429 1.00 0.00 H new ATOM 1231 N GLU A 78 3.490 3.391 -6.673 1.00 0.00 N ATOM 1232 CA GLU A 78 4.650 3.115 -7.516 1.00 0.00 C ATOM 1233 C GLU A 78 5.095 4.362 -8.280 1.00 0.00 C ATOM 1234 O GLU A 78 6.273 4.721 -8.264 1.00 0.00 O ATOM 1235 CB GLU A 78 4.326 1.987 -8.500 1.00 0.00 C ATOM 1236 CG GLU A 78 5.441 1.696 -9.492 1.00 0.00 C ATOM 1237 CD GLU A 78 6.722 1.246 -8.818 1.00 0.00 C ATOM 1238 OE1 GLU A 78 7.510 2.118 -8.397 1.00 0.00 O ATOM 1239 OE2 GLU A 78 6.937 0.020 -8.712 1.00 0.00 O ATOM 0 H GLU A 78 2.686 2.790 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 78 5.470 2.807 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.107 1.079 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.422 2.247 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.111 0.924 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.640 2.591 -10.081 1.00 0.00 H new ATOM 1246 N GLU A 79 4.145 5.016 -8.943 1.00 0.00 N ATOM 1247 CA GLU A 79 4.434 6.217 -9.724 1.00 0.00 C ATOM 1248 C GLU A 79 5.066 7.312 -8.867 1.00 0.00 C ATOM 1249 O GLU A 79 6.118 7.850 -9.214 1.00 0.00 O ATOM 1250 CB GLU A 79 3.154 6.746 -10.371 1.00 0.00 C ATOM 1251 CG GLU A 79 2.612 5.850 -11.474 1.00 0.00 C ATOM 1252 CD GLU A 79 3.568 5.721 -12.643 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.443 4.830 -12.599 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.442 6.509 -13.604 1.00 0.00 O ATOM 0 H GLU A 79 3.165 4.734 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 79 5.149 5.939 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.390 6.863 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.348 7.737 -10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.408 4.860 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.662 6.251 -11.829 1.00 0.00 H new ATOM 1261 N GLN A 80 4.425 7.633 -7.747 1.00 0.00 N ATOM 1262 CA GLN A 80 4.919 8.677 -6.853 1.00 0.00 C ATOM 1263 C GLN A 80 6.334 8.379 -6.366 1.00 0.00 C ATOM 1264 O GLN A 80 7.109 9.296 -6.092 1.00 0.00 O ATOM 1265 CB GLN A 80 3.976 8.840 -5.659 1.00 0.00 C ATOM 1266 CG GLN A 80 2.616 9.408 -6.034 1.00 0.00 C ATOM 1267 CD GLN A 80 2.711 10.793 -6.645 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.651 11.800 -5.940 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.865 10.850 -7.962 1.00 0.00 N ATOM 0 H GLN A 80 3.563 7.186 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 80 4.950 9.609 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.837 7.870 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.444 9.494 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.128 8.736 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.986 9.449 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.910 9.990 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.939 11.754 -8.428 1.00 0.00 H new ATOM 1278 N LEU A 81 6.668 7.098 -6.254 1.00 0.00 N ATOM 1279 CA LEU A 81 7.997 6.696 -5.802 1.00 0.00 C ATOM 1280 C LEU A 81 9.020 6.835 -6.925 1.00 0.00 C ATOM 1281 O LEU A 81 10.171 7.204 -6.687 1.00 0.00 O ATOM 1282 CB LEU A 81 7.974 5.257 -5.280 1.00 0.00 C ATOM 1283 CG LEU A 81 7.170 5.052 -3.994 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.996 3.569 -3.705 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.851 5.744 -2.823 1.00 0.00 C ATOM 0 H LEU A 81 6.041 6.323 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 81 8.291 7.358 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.563 4.611 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.000 4.932 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 81 6.184 5.496 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.422 3.442 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.466 3.097 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.975 3.104 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.265 5.588 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.849 5.329 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.927 6.812 -3.026 1.00 0.00 H new ATOM 1297 N LEU A 82 8.594 6.542 -8.150 1.00 0.00 N ATOM 1298 CA LEU A 82 9.475 6.636 -9.311 1.00 0.00 C ATOM 1299 C LEU A 82 9.833 8.088 -9.607 1.00 0.00 C ATOM 1300 O LEU A 82 10.854 8.368 -10.237 1.00 0.00 O ATOM 1301 CB LEU A 82 8.814 6.001 -10.538 1.00 0.00 C ATOM 1302 CG LEU A 82 8.597 4.488 -10.453 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.872 3.986 -11.692 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.926 3.765 -10.284 1.00 0.00 C ATOM 0 H LEU A 82 7.645 6.238 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 82 10.392 6.093 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.849 6.482 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.428 6.215 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 82 7.979 4.277 -9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.725 2.909 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.903 4.479 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.467 4.210 -12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.751 2.691 -10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.569 3.982 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.411 4.104 -9.368 1.00 0.00 H new ATOM 1316 N GLN A 83 8.986 9.009 -9.155 1.00 0.00 N ATOM 1317 CA GLN A 83 9.215 10.434 -9.371 1.00 0.00 C ATOM 1318 C GLN A 83 10.569 10.866 -8.816 1.00 0.00 C ATOM 1319 O GLN A 83 11.127 11.880 -9.237 1.00 0.00 O ATOM 1320 CB GLN A 83 8.102 11.255 -8.717 1.00 0.00 C ATOM 1321 CG GLN A 83 6.728 11.010 -9.318 1.00 0.00 C ATOM 1322 CD GLN A 83 6.662 11.364 -10.790 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.919 10.526 -11.655 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.314 12.612 -11.082 1.00 0.00 N ATOM 0 H GLN A 83 8.134 8.793 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 83 9.212 10.613 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.070 11.023 -7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.344 12.314 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.461 9.961 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.988 11.597 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.110 13.273 -10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.251 12.909 -12.056 1.00 0.00 H new ATOM 1333 N ARG A 84 11.092 10.090 -7.871 1.00 0.00 N ATOM 1334 CA ARG A 84 12.380 10.397 -7.257 1.00 0.00 C ATOM 1335 C ARG A 84 13.346 9.225 -7.397 1.00 0.00 C ATOM 1336 O ARG A 84 14.564 9.406 -7.374 1.00 0.00 O ATOM 1337 CB ARG A 84 12.192 10.740 -5.779 1.00 0.00 C ATOM 1338 CG ARG A 84 11.209 11.874 -5.538 1.00 0.00 C ATOM 1339 CD ARG A 84 10.973 12.100 -4.052 1.00 0.00 C ATOM 1340 NE ARG A 84 9.960 13.125 -3.809 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.349 13.295 -2.640 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.644 12.510 -1.612 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.442 14.251 -2.498 1.00 0.00 N ATOM 0 H ARG A 84 10.645 9.246 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 84 12.804 11.257 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.846 9.852 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.158 11.010 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.590 12.790 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.262 11.646 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.661 11.164 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.909 12.395 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 84 9.708 13.745 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.341 11.773 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.173 12.643 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.212 14.857 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.974 14.381 -1.601 1.00 0.00 H new ATOM 1357 N ILE A 85 12.795 8.024 -7.542 1.00 0.00 N ATOM 1358 CA ILE A 85 13.607 6.821 -7.679 1.00 0.00 C ATOM 1359 C ILE A 85 13.121 5.963 -8.848 1.00 0.00 C ATOM 1360 O ILE A 85 12.343 5.027 -8.655 1.00 0.00 O ATOM 1361 CB ILE A 85 13.579 5.979 -6.386 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.803 6.873 -5.163 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.633 4.880 -6.447 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.523 6.184 -3.842 1.00 0.00 C ATOM 0 H ILE A 85 11.789 7.858 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 85 14.630 7.144 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 85 12.599 5.511 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.834 7.226 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.165 7.753 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.602 4.294 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.432 4.230 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.620 5.328 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.704 6.880 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.484 5.855 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.180 5.320 -3.736 1.00 0.00 H new ATOM 1376 N PRO A 86 13.568 6.272 -10.082 1.00 0.00 N ATOM 1377 CA PRO A 86 13.167 5.521 -11.278 1.00 0.00 C ATOM 1378 C PRO A 86 13.744 4.112 -11.300 1.00 0.00 C ATOM 1379 O PRO A 86 13.398 3.300 -12.159 1.00 0.00 O ATOM 1380 CB PRO A 86 13.734 6.351 -12.430 1.00 0.00 C ATOM 1381 CG PRO A 86 14.882 7.091 -11.835 1.00 0.00 C ATOM 1382 CD PRO A 86 14.496 7.373 -10.409 1.00 0.00 C ATOM 0 HA PRO A 86 12.087 5.385 -11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.057 5.715 -13.254 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.986 7.036 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.796 6.498 -11.882 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.074 8.016 -12.378 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.365 7.375 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.016 8.346 -10.307 1.00 0.00 H new ATOM 1390 N GLU A 87 14.621 3.829 -10.348 1.00 0.00 N ATOM 1391 CA GLU A 87 15.253 2.519 -10.247 1.00 0.00 C ATOM 1392 C GLU A 87 14.782 1.793 -8.992 1.00 0.00 C ATOM 1393 O GLU A 87 15.402 0.824 -8.552 1.00 0.00 O ATOM 1394 CB GLU A 87 16.776 2.666 -10.225 1.00 0.00 C ATOM 1395 CG GLU A 87 17.344 3.289 -11.489 1.00 0.00 C ATOM 1396 CD GLU A 87 18.840 3.520 -11.402 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.604 2.584 -11.714 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.246 4.639 -11.022 1.00 0.00 O ATOM 0 H GLU A 87 14.913 4.492 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 87 14.966 1.931 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.062 3.277 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.226 1.684 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.129 2.640 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.844 4.239 -11.678 1.00 0.00 H new ATOM 1405 N PHE A 88 13.680 2.269 -8.425 1.00 0.00 N ATOM 1406 CA PHE A 88 13.122 1.677 -7.217 1.00 0.00 C ATOM 1407 C PHE A 88 12.618 0.260 -7.471 1.00 0.00 C ATOM 1408 O PHE A 88 12.148 -0.061 -8.563 1.00 0.00 O ATOM 1409 CB PHE A 88 11.980 2.543 -6.683 1.00 0.00 C ATOM 1410 CG PHE A 88 11.317 1.969 -5.463 1.00 0.00 C ATOM 1411 CD1 PHE A 88 12.020 1.829 -4.279 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.993 1.562 -5.504 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.416 1.296 -3.158 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.383 1.030 -4.385 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.096 0.896 -3.211 1.00 0.00 C ATOM 0 H PHE A 88 13.154 3.066 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 88 13.919 1.627 -6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.366 3.534 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.234 2.671 -7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.053 2.140 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.432 1.662 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.976 1.192 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.350 0.719 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.622 0.479 -2.335 1.00 0.00 H new ATOM 1425 N ASN A 89 12.721 -0.580 -6.446 1.00 0.00 N ATOM 1426 CA ASN A 89 12.271 -1.964 -6.532 1.00 0.00 C ATOM 1427 C ASN A 89 11.091 -2.199 -5.596 1.00 0.00 C ATOM 1428 O ASN A 89 11.269 -2.545 -4.428 1.00 0.00 O ATOM 1429 CB ASN A 89 13.420 -2.916 -6.188 1.00 0.00 C ATOM 1430 CG ASN A 89 14.280 -2.395 -5.053 1.00 0.00 C ATOM 1431 OD1 ASN A 89 13.903 -2.721 -3.822 1.00 0.00 O flip ATOM 1432 ND2 ASN A 89 15.273 -1.702 -5.280 1.00 0.00 N flip ATOM 0 H ASN A 89 13.115 -0.324 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 89 11.947 -2.161 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.013 -3.889 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.041 -3.067 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.527 -1.475 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.841 -1.355 -4.507 1.00 0.00 H new ATOM 1439 N MET A 90 9.883 -1.999 -6.116 1.00 0.00 N ATOM 1440 CA MET A 90 8.669 -2.178 -5.326 1.00 0.00 C ATOM 1441 C MET A 90 8.473 -3.641 -4.938 1.00 0.00 C ATOM 1442 O MET A 90 7.900 -3.943 -3.893 1.00 0.00 O ATOM 1443 CB MET A 90 7.453 -1.672 -6.105 1.00 0.00 C ATOM 1444 CG MET A 90 6.162 -1.679 -5.299 1.00 0.00 C ATOM 1445 SD MET A 90 6.286 -0.715 -3.780 1.00 0.00 S ATOM 1446 CE MET A 90 4.571 -0.667 -3.267 1.00 0.00 C ATOM 0 H MET A 90 9.719 -1.713 -7.081 1.00 0.00 H new ATOM 0 HA MET A 90 8.774 -1.597 -4.410 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.650 -0.657 -6.449 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.319 -2.289 -6.993 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.353 -1.281 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.898 -2.707 -5.052 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.485 -0.103 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.973 -0.185 -4.041 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.210 -1.683 -3.109 1.00 0.00 H new ATOM 1456 N ALA A 91 8.957 -4.544 -5.784 1.00 0.00 N ATOM 1457 CA ALA A 91 8.829 -5.974 -5.527 1.00 0.00 C ATOM 1458 C ALA A 91 9.758 -6.424 -4.404 1.00 0.00 C ATOM 1459 O ALA A 91 9.360 -7.188 -3.524 1.00 0.00 O ATOM 1460 CB ALA A 91 9.112 -6.765 -6.796 1.00 0.00 C ATOM 0 H ALA A 91 9.440 -4.312 -6.652 1.00 0.00 H new ATOM 0 HA ALA A 91 7.804 -6.166 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.013 -7.831 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.401 -6.477 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.125 -6.554 -7.138 1.00 0.00 H new ATOM 1466 N ALA A 92 10.997 -5.945 -4.436 1.00 0.00 N ATOM 1467 CA ALA A 92 11.984 -6.309 -3.426 1.00 0.00 C ATOM 1468 C ALA A 92 11.687 -5.643 -2.086 1.00 0.00 C ATOM 1469 O ALA A 92 11.960 -6.211 -1.028 1.00 0.00 O ATOM 1470 CB ALA A 92 13.381 -5.944 -3.900 1.00 0.00 C ATOM 0 H ALA A 92 11.342 -5.304 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 92 11.928 -7.388 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.108 -6.221 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.603 -6.478 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.435 -4.870 -4.080 1.00 0.00 H new ATOM 1476 N PHE A 93 11.127 -4.438 -2.132 1.00 0.00 N ATOM 1477 CA PHE A 93 10.802 -3.704 -0.913 1.00 0.00 C ATOM 1478 C PHE A 93 9.646 -4.367 -0.169 1.00 0.00 C ATOM 1479 O PHE A 93 9.691 -4.518 1.051 1.00 0.00 O ATOM 1480 CB PHE A 93 10.448 -2.250 -1.239 1.00 0.00 C ATOM 1481 CG PHE A 93 10.251 -1.391 -0.020 1.00 0.00 C ATOM 1482 CD1 PHE A 93 11.342 -0.929 0.700 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.978 -1.044 0.404 1.00 0.00 C ATOM 1484 CE1 PHE A 93 11.166 -0.138 1.821 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.795 -0.253 1.525 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.892 0.200 2.235 1.00 0.00 C ATOM 0 H PHE A 93 10.890 -3.951 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 93 11.682 -3.718 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.240 -1.820 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.537 -2.232 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.341 -1.190 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.118 -1.395 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 93 12.025 0.215 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.797 0.010 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.753 0.816 3.111 1.00 0.00 H new ATOM 1496 N THR A 94 8.615 -4.762 -0.912 1.00 0.00 N ATOM 1497 CA THR A 94 7.446 -5.407 -0.320 1.00 0.00 C ATOM 1498 C THR A 94 7.814 -6.730 0.344 1.00 0.00 C ATOM 1499 O THR A 94 7.404 -7.000 1.473 1.00 0.00 O ATOM 1500 CB THR A 94 6.352 -5.661 -1.372 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.912 -6.323 -2.513 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.701 -4.356 -1.804 1.00 0.00 C ATOM 0 H THR A 94 8.565 -4.647 -1.924 1.00 0.00 H new ATOM 0 HA THR A 94 7.063 -4.723 0.437 1.00 0.00 H new ATOM 0 HB THR A 94 5.589 -6.297 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.292 -5.657 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.931 -4.562 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.249 -3.871 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.456 -3.698 -2.235 1.00 0.00 H new ATOM 1510 N THR A 95 8.582 -7.556 -0.364 1.00 0.00 N ATOM 1511 CA THR A 95 9.000 -8.850 0.164 1.00 0.00 C ATOM 1512 C THR A 95 9.726 -8.690 1.495 1.00 0.00 C ATOM 1513 O THR A 95 9.399 -9.357 2.477 1.00 0.00 O ATOM 1514 CB THR A 95 9.921 -9.591 -0.825 1.00 0.00 C ATOM 1515 OG1 THR A 95 11.037 -8.762 -1.170 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.165 -9.984 -2.084 1.00 0.00 C ATOM 0 H THR A 95 8.926 -7.352 -1.302 1.00 0.00 H new ATOM 0 HA THR A 95 8.095 -9.438 0.314 1.00 0.00 H new ATOM 0 HB THR A 95 10.279 -10.499 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.618 -9.240 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.838 -10.505 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.336 -10.640 -1.820 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.778 -9.089 -2.571 1.00 0.00 H new ATOM 1524 N THR A 96 10.714 -7.802 1.520 1.00 0.00 N ATOM 1525 CA THR A 96 11.488 -7.549 2.730 1.00 0.00 C ATOM 1526 C THR A 96 10.623 -6.892 3.803 1.00 0.00 C ATOM 1527 O THR A 96 10.858 -7.070 5.000 1.00 0.00 O ATOM 1528 CB THR A 96 12.703 -6.649 2.434 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.490 -7.218 1.381 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.565 -6.470 3.673 1.00 0.00 C ATOM 0 H THR A 96 10.998 -7.244 0.715 1.00 0.00 H new ATOM 0 HA THR A 96 11.842 -8.513 3.096 1.00 0.00 H new ATOM 0 HB THR A 96 12.332 -5.672 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.104 -6.972 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.415 -5.831 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.974 -6.009 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.925 -7.442 4.009 1.00 0.00 H new ATOM 1538 N LEU A 97 9.624 -6.132 3.366 1.00 0.00 N ATOM 1539 CA LEU A 97 8.718 -5.444 4.280 1.00 0.00 C ATOM 1540 C LEU A 97 7.947 -6.439 5.143 1.00 0.00 C ATOM 1541 O LEU A 97 7.694 -6.186 6.322 1.00 0.00 O ATOM 1542 CB LEU A 97 7.733 -4.572 3.494 1.00 0.00 C ATOM 1543 CG LEU A 97 7.557 -3.142 4.016 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.551 -2.386 3.162 1.00 0.00 C ATOM 1545 CD2 LEU A 97 7.118 -3.150 5.474 1.00 0.00 C ATOM 0 H LEU A 97 9.420 -5.976 2.379 1.00 0.00 H new ATOM 0 HA LEU A 97 9.319 -4.812 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.065 -4.523 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.760 -5.063 3.494 1.00 0.00 H new ATOM 0 HG LEU A 97 8.519 -2.634 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.437 -1.372 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.905 -2.347 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.589 -2.897 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.999 -2.125 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.168 -3.677 5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.872 -3.654 6.078 1.00 0.00 H new ATOM 1557 N GLN A 98 7.575 -7.570 4.545 1.00 0.00 N ATOM 1558 CA GLN A 98 6.825 -8.604 5.253 1.00 0.00 C ATOM 1559 C GLN A 98 7.503 -8.975 6.565 1.00 0.00 C ATOM 1560 O GLN A 98 6.852 -9.068 7.606 1.00 0.00 O ATOM 1561 CB GLN A 98 6.690 -9.854 4.379 1.00 0.00 C ATOM 1562 CG GLN A 98 6.050 -9.594 3.026 1.00 0.00 C ATOM 1563 CD GLN A 98 4.596 -9.181 3.139 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.280 -7.994 3.220 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.702 -10.163 3.148 1.00 0.00 N ATOM 0 H GLN A 98 7.781 -7.793 3.571 1.00 0.00 H new ATOM 0 HA GLN A 98 5.835 -8.204 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.679 -10.286 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.097 -10.597 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.607 -8.812 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.122 -10.494 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.009 -11.133 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.708 -9.947 3.224 1.00 0.00 H new ATOM 1574 N HIS A 99 8.813 -9.182 6.509 1.00 0.00 N ATOM 1575 CA HIS A 99 9.578 -9.538 7.695 1.00 0.00 C ATOM 1576 C HIS A 99 9.819 -8.308 8.561 1.00 0.00 C ATOM 1577 O HIS A 99 9.733 -8.370 9.789 1.00 0.00 O ATOM 1578 CB HIS A 99 10.913 -10.168 7.295 1.00 0.00 C ATOM 1579 CG HIS A 99 10.762 -11.410 6.473 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.780 -12.677 7.015 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.584 -11.575 5.140 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.620 -13.568 6.052 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.499 -12.925 4.906 1.00 0.00 N ATOM 0 H HIS A 99 9.366 -9.109 5.655 1.00 0.00 H new ATOM 0 HA HIS A 99 9.005 -10.264 8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.497 -9.438 6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.479 -10.404 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.521 -10.791 4.400 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.593 -14.640 6.181 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.364 -13.361 3.994 1.00 0.00 H new ATOM 1592 N HIS A 100 10.100 -7.186 7.908 1.00 0.00 N ATOM 1593 CA HIS A 100 10.358 -5.935 8.610 1.00 0.00 C ATOM 1594 C HIS A 100 9.096 -5.418 9.289 1.00 0.00 C ATOM 1595 O HIS A 100 9.128 -4.404 9.986 1.00 0.00 O ATOM 1596 CB HIS A 100 10.905 -4.884 7.643 1.00 0.00 C ATOM 1597 CG HIS A 100 12.358 -5.066 7.324 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.247 -4.014 7.240 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.077 -6.185 7.070 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.449 -4.479 6.950 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.373 -5.792 6.841 1.00 0.00 N ATOM 0 H HIS A 100 10.155 -7.118 6.892 1.00 0.00 H new ATOM 0 HA HIS A 100 11.105 -6.129 9.380 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.330 -4.919 6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.757 -3.893 8.073 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.013 -3.031 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.702 -7.197 7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.342 -3.885 6.824 1.00 0.00 H new ATOM 1610 N LYS A 101 7.985 -6.117 9.079 1.00 0.00 N ATOM 1611 CA LYS A 101 6.716 -5.731 9.681 1.00 0.00 C ATOM 1612 C LYS A 101 6.816 -5.754 11.204 1.00 0.00 C ATOM 1613 O LYS A 101 6.020 -5.121 11.898 1.00 0.00 O ATOM 1614 CB LYS A 101 5.599 -6.669 9.214 1.00 0.00 C ATOM 1615 CG LYS A 101 4.213 -6.255 9.687 1.00 0.00 C ATOM 1616 CD LYS A 101 3.139 -7.211 9.188 1.00 0.00 C ATOM 1617 CE LYS A 101 3.254 -8.577 9.846 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.201 -9.516 9.367 1.00 0.00 N ATOM 0 H LYS A 101 7.939 -6.953 8.497 1.00 0.00 H new ATOM 0 HA LYS A 101 6.480 -4.715 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.604 -6.711 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.809 -7.677 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.195 -6.224 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.995 -5.247 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.154 -6.791 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.222 -7.320 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.238 -8.998 9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.177 -8.466 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.315 -10.435 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.262 -9.127 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.290 -9.642 8.339 1.00 0.00 H new ATOM 1632 N ASP A 102 7.801 -6.488 11.717 1.00 0.00 N ATOM 1633 CA ASP A 102 8.002 -6.592 13.158 1.00 0.00 C ATOM 1634 C ASP A 102 8.635 -5.318 13.715 1.00 0.00 C ATOM 1635 O ASP A 102 8.489 -5.008 14.897 1.00 0.00 O ATOM 1636 CB ASP A 102 8.887 -7.796 13.488 1.00 0.00 C ATOM 1637 CG ASP A 102 10.353 -7.534 13.201 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.730 -7.498 12.011 1.00 0.00 O ATOM 1639 OD2 ASP A 102 11.125 -7.366 14.168 1.00 0.00 O ATOM 0 H ASP A 102 8.470 -7.017 11.157 1.00 0.00 H new ATOM 0 HA ASP A 102 7.026 -6.727 13.624 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.766 -8.054 14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.555 -8.657 12.908 1.00 0.00 H new ATOM 1644 N GLU A 103 9.339 -4.586 12.855 1.00 0.00 N ATOM 1645 CA GLU A 103 9.995 -3.348 13.265 1.00 0.00 C ATOM 1646 C GLU A 103 9.152 -2.132 12.893 1.00 0.00 C ATOM 1647 O GLU A 103 8.756 -1.354 13.761 1.00 0.00 O ATOM 1648 CB GLU A 103 11.381 -3.240 12.624 1.00 0.00 C ATOM 1649 CG GLU A 103 12.184 -2.043 13.105 1.00 0.00 C ATOM 1650 CD GLU A 103 12.448 -2.078 14.597 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.403 -2.765 15.016 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.700 -1.418 15.348 1.00 0.00 O ATOM 0 H GLU A 103 9.469 -4.828 11.873 1.00 0.00 H new ATOM 0 HA GLU A 103 10.106 -3.370 14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.941 -4.151 12.835 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.267 -3.179 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.135 -2.011 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.648 -1.127 12.856 1.00 0.00 H new ATOM 1659 N VAL A 104 8.882 -1.974 11.601 1.00 0.00 N ATOM 1660 CA VAL A 104 8.086 -0.850 11.119 1.00 0.00 C ATOM 1661 C VAL A 104 6.677 -0.892 11.702 1.00 0.00 C ATOM 1662 O VAL A 104 6.189 -1.954 12.090 1.00 0.00 O ATOM 1663 CB VAL A 104 7.998 -0.835 9.578 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.094 -1.952 9.073 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.511 0.518 9.081 1.00 0.00 C ATOM 0 H VAL A 104 9.202 -2.609 10.870 1.00 0.00 H new ATOM 0 HA VAL A 104 8.588 0.059 11.449 1.00 0.00 H new ATOM 0 HB VAL A 104 8.999 -1.006 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.049 -1.919 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.493 -2.915 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.092 -1.822 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.456 0.507 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.522 0.722 9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.205 1.295 9.402 1.00 0.00 H new ATOM 1675 N ALA A 105 6.031 0.268 11.765 1.00 0.00 N ATOM 1676 CA ALA A 105 4.678 0.358 12.299 1.00 0.00 C ATOM 1677 C ALA A 105 3.729 -0.558 11.534 1.00 0.00 C ATOM 1678 O ALA A 105 3.367 -0.279 10.390 1.00 0.00 O ATOM 1679 CB ALA A 105 4.186 1.797 12.246 1.00 0.00 C ATOM 0 H ALA A 105 6.422 1.157 11.453 1.00 0.00 H new ATOM 0 HA ALA A 105 4.698 0.032 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.174 1.851 12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.846 2.429 12.840 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.185 2.143 11.212 1.00 0.00 H new ATOM 1685 N GLY A 106 3.331 -1.653 12.174 1.00 0.00 N ATOM 1686 CA GLY A 106 2.428 -2.595 11.540 1.00 0.00 C ATOM 1687 C GLY A 106 1.081 -1.980 11.232 1.00 0.00 C ATOM 1688 O GLY A 106 0.433 -2.344 10.251 1.00 0.00 O ATOM 0 H GLY A 106 3.618 -1.904 13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.878 -2.961 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.291 -3.458 12.191 1.00 0.00 H new ATOM 1692 N ASP A 107 0.660 -1.038 12.071 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.619 -0.364 11.890 1.00 0.00 C ATOM 1694 C ASP A 107 -0.669 0.359 10.547 1.00 0.00 C ATOM 1695 O ASP A 107 -1.713 0.399 9.893 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.857 0.628 13.030 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.901 -0.053 14.385 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.180 -0.293 14.965 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.016 -0.347 14.865 1.00 0.00 O ATOM 0 H ASP A 107 1.189 -0.724 12.885 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.407 -1.117 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.066 1.377 13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.796 1.155 12.860 1.00 0.00 H new ATOM 1704 N ILE A 108 0.462 0.927 10.141 1.00 0.00 N ATOM 1705 CA ILE A 108 0.542 1.645 8.875 1.00 0.00 C ATOM 1706 C ILE A 108 0.535 0.680 7.693 1.00 0.00 C ATOM 1707 O ILE A 108 -0.219 0.865 6.738 1.00 0.00 O ATOM 1708 CB ILE A 108 1.804 2.530 8.804 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.752 3.614 9.884 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.940 3.156 7.420 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.003 4.467 9.955 1.00 0.00 C ATOM 0 H ILE A 108 1.334 0.904 10.670 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.338 2.285 8.819 1.00 0.00 H new ATOM 0 HB ILE A 108 2.679 1.905 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.894 4.259 9.697 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.590 3.141 10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.835 3.777 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.017 2.368 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.064 3.771 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.891 5.212 10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.863 3.834 10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.156 4.969 9.000 1.00 0.00 H new ATOM 1723 N PHE A 109 1.379 -0.348 7.757 1.00 0.00 N ATOM 1724 CA PHE A 109 1.455 -1.332 6.683 1.00 0.00 C ATOM 1725 C PHE A 109 0.129 -2.073 6.525 1.00 0.00 C ATOM 1726 O PHE A 109 -0.209 -2.523 5.430 1.00 0.00 O ATOM 1727 CB PHE A 109 2.593 -2.329 6.927 1.00 0.00 C ATOM 1728 CG PHE A 109 2.783 -3.309 5.799 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.757 -2.881 4.478 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.983 -4.656 6.057 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.925 -3.776 3.438 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.154 -5.556 5.022 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.124 -5.116 3.711 1.00 0.00 C ATOM 0 H PHE A 109 2.015 -0.519 8.536 1.00 0.00 H new ATOM 0 HA PHE A 109 1.663 -0.794 5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.521 -1.779 7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.393 -2.879 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.603 -1.834 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.005 -5.006 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.901 -3.429 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.311 -6.603 5.237 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.256 -5.819 2.902 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.616 -2.202 7.624 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.906 -2.890 7.603 1.00 0.00 C ATOM 1745 C ASP A 110 -2.785 -2.376 6.468 1.00 0.00 C ATOM 1746 O ASP A 110 -3.567 -3.128 5.887 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.631 -2.718 8.939 1.00 0.00 C ATOM 1748 CG ASP A 110 -2.110 -3.661 10.005 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -1.915 -4.856 9.697 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -1.897 -3.205 11.149 1.00 0.00 O ATOM 0 H ASP A 110 -0.348 -1.839 8.539 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.712 -3.950 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.518 -1.689 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.698 -2.890 8.795 1.00 0.00 H new ATOM 1755 N MET A 111 -2.655 -1.091 6.161 1.00 0.00 N ATOM 1756 CA MET A 111 -3.426 -0.483 5.086 1.00 0.00 C ATOM 1757 C MET A 111 -2.918 -0.977 3.735 1.00 0.00 C ATOM 1758 O MET A 111 -3.700 -1.324 2.849 1.00 0.00 O ATOM 1759 CB MET A 111 -3.327 1.044 5.169 1.00 0.00 C ATOM 1760 CG MET A 111 -4.102 1.777 4.084 1.00 0.00 C ATOM 1761 SD MET A 111 -3.199 1.884 2.525 1.00 0.00 S ATOM 1762 CE MET A 111 -1.752 2.814 3.028 1.00 0.00 C ATOM 0 H MET A 111 -2.023 -0.451 6.642 1.00 0.00 H new ATOM 0 HA MET A 111 -4.472 -0.771 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.692 1.369 6.143 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.278 1.333 5.109 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.050 1.267 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.339 2.783 4.430 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.168 3.083 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.064 3.720 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.142 2.205 3.696 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.598 -1.013 3.594 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.964 -1.465 2.361 1.00 0.00 C ATOM 1774 C LEU A 112 -1.228 -2.948 2.120 1.00 0.00 C ATOM 1775 O LEU A 112 -1.176 -3.415 0.985 1.00 0.00 O ATOM 1776 CB LEU A 112 0.541 -1.203 2.409 1.00 0.00 C ATOM 1777 CG LEU A 112 0.948 0.272 2.414 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.429 0.412 2.731 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.628 0.920 1.074 1.00 0.00 C ATOM 0 H LEU A 112 -0.942 -0.733 4.323 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.397 -0.901 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.948 -1.678 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.005 -1.688 1.550 1.00 0.00 H new ATOM 0 HG LEU A 112 0.377 0.784 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.703 1.467 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.633 -0.016 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.014 -0.115 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.925 1.969 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.173 0.406 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.443 0.850 0.882 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.520 -3.682 3.192 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.789 -5.114 3.091 1.00 0.00 C ATOM 1793 C LEU A 113 -2.818 -5.395 2.002 1.00 0.00 C ATOM 1794 O LEU A 113 -2.842 -6.482 1.426 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.274 -5.675 4.432 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.192 -5.839 5.505 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.792 -6.388 6.789 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.078 -6.751 5.011 1.00 0.00 C ATOM 0 H LEU A 113 -1.576 -3.309 4.140 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.856 -5.611 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.052 -5.018 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.736 -6.646 4.255 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.767 -4.857 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.009 -6.498 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.554 -5.701 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.245 -7.360 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.680 -6.854 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.489 -7.732 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.375 -6.321 4.117 1.00 0.00 H new ATOM 1810 N THR A 114 -3.673 -4.411 1.733 1.00 0.00 N ATOM 1811 CA THR A 114 -4.703 -4.543 0.705 1.00 0.00 C ATOM 1812 C THR A 114 -4.106 -4.892 -0.664 1.00 0.00 C ATOM 1813 O THR A 114 -4.840 -5.060 -1.639 1.00 0.00 O ATOM 1814 CB THR A 114 -5.523 -3.246 0.569 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.661 -2.155 0.224 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.256 -2.929 1.863 1.00 0.00 C ATOM 0 H THR A 114 -3.673 -3.511 2.214 1.00 0.00 H new ATOM 0 HA THR A 114 -5.352 -5.358 1.026 1.00 0.00 H new ATOM 0 HB THR A 114 -6.260 -3.391 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.267 -1.779 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.828 -2.009 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.933 -3.747 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.533 -2.803 2.669 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.779 -5.001 -0.736 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.107 -5.334 -1.989 1.00 0.00 C ATOM 1826 C PHE A 115 -2.489 -6.737 -2.456 1.00 0.00 C ATOM 1827 O PHE A 115 -2.422 -7.042 -3.647 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.583 -5.238 -1.829 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.039 -3.832 -1.870 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.497 -2.924 -2.813 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.933 -3.421 -0.968 1.00 0.00 C ATOM 1832 CE1 PHE A 115 0.000 -1.636 -2.855 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.434 -2.133 -1.007 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.966 -1.239 -1.951 1.00 0.00 C ATOM 0 H PHE A 115 -2.152 -4.864 0.056 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.430 -4.614 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.300 -5.696 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.110 -5.821 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.252 -3.228 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.302 -4.115 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.367 -0.939 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.191 -1.826 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.355 -0.232 -1.982 1.00 0.00 H new ATOM 1844 N THR A 116 -2.887 -7.589 -1.513 1.00 0.00 N ATOM 1845 CA THR A 116 -3.279 -8.956 -1.838 1.00 0.00 C ATOM 1846 C THR A 116 -4.115 -9.578 -0.722 1.00 0.00 C ATOM 1847 O THR A 116 -4.797 -10.581 -0.931 1.00 0.00 O ATOM 1848 CB THR A 116 -2.051 -9.847 -2.099 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.469 -11.187 -2.385 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.118 -9.848 -0.898 1.00 0.00 C ATOM 0 H THR A 116 -2.946 -7.357 -0.522 1.00 0.00 H new ATOM 0 HA THR A 116 -3.880 -8.899 -2.746 1.00 0.00 H new ATOM 0 HB THR A 116 -1.513 -9.443 -2.957 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.374 -11.329 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.258 -10.484 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.778 -8.831 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.649 -10.229 -0.025 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.057 -8.976 0.463 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.810 -9.475 1.609 1.00 0.00 C ATOM 1860 C ASP A 117 -6.301 -9.189 1.448 1.00 0.00 C ATOM 1861 O ASP A 117 -6.821 -8.212 1.988 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.288 -8.849 2.905 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.864 -9.270 3.215 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.936 -8.763 2.549 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.677 -10.110 4.119 1.00 0.00 O ATOM 0 H ASP A 117 -3.498 -8.144 0.654 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.672 -10.555 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.334 -7.763 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.938 -9.136 3.732 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.981 -10.052 0.697 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.411 -9.901 0.451 1.00 0.00 C ATOM 1872 C PHE A 118 -9.190 -9.816 1.759 1.00 0.00 C ATOM 1873 O PHE A 118 -10.197 -9.114 1.846 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.926 -11.075 -0.386 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.366 -10.940 -0.791 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.710 -10.280 -1.960 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.375 -11.474 -0.004 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.034 -10.156 -2.337 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.700 -11.353 -0.377 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.030 -10.693 -1.545 1.00 0.00 C ATOM 0 H PHE A 118 -6.562 -10.866 0.247 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.563 -8.971 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.313 -11.168 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.802 -11.997 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.935 -9.858 -2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.123 -11.990 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.290 -9.639 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.477 -11.774 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.065 -10.597 -1.838 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.721 -10.536 2.773 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.379 -10.540 4.073 1.00 0.00 C ATOM 1892 C LEU A 119 -9.391 -9.141 4.681 1.00 0.00 C ATOM 1893 O LEU A 119 -10.403 -8.697 5.224 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.678 -11.518 5.019 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.382 -11.744 6.360 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.746 -12.382 6.148 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.524 -12.609 7.272 1.00 0.00 C ATOM 0 H LEU A 119 -7.889 -11.123 2.719 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.411 -10.861 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.577 -12.478 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.670 -11.152 5.213 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.528 -10.776 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.230 -12.534 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.362 -11.727 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.625 -13.342 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.039 -12.760 8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.347 -13.574 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.570 -12.113 7.452 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.260 -8.447 4.579 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.137 -7.100 5.123 1.00 0.00 C ATOM 1911 C ALA A 120 -8.841 -6.082 4.232 1.00 0.00 C ATOM 1912 O ALA A 120 -9.278 -5.031 4.698 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.671 -6.732 5.291 1.00 0.00 C ATOM 0 H ALA A 120 -7.416 -8.796 4.124 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.619 -7.083 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.593 -5.724 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.195 -7.436 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.173 -6.772 4.322 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.943 -6.405 2.947 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.586 -5.521 1.981 1.00 0.00 C ATOM 1921 C PHE A 121 -11.086 -5.414 2.245 1.00 0.00 C ATOM 1922 O PHE A 121 -11.623 -4.317 2.410 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.340 -6.040 0.562 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.767 -5.088 -0.518 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.897 -4.120 -0.991 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -11.038 -5.166 -1.066 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.284 -3.247 -1.988 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -11.431 -4.295 -2.065 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.553 -3.335 -2.526 1.00 0.00 C ATOM 0 H PHE A 121 -8.588 -7.275 2.550 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.153 -4.526 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.278 -6.255 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.872 -6.982 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.903 -4.047 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.729 -5.915 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.595 -2.496 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -12.424 -4.366 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.858 -2.654 -3.306 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.755 -6.561 2.297 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.194 -6.602 2.533 1.00 0.00 C ATOM 1941 C LYS A 122 -13.532 -6.135 3.945 1.00 0.00 C ATOM 1942 O LYS A 122 -14.543 -5.467 4.161 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.726 -8.017 2.305 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.237 -8.128 2.425 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.724 -9.522 2.061 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.240 -9.621 2.145 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.734 -9.417 3.534 1.00 0.00 N ATOM 0 H LYS A 122 -11.322 -7.477 2.179 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.673 -5.923 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.423 -8.354 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.263 -8.690 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.541 -7.890 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.710 -7.394 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.397 -9.771 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.273 -10.253 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.689 -8.877 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.560 -10.599 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.203 -10.284 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.932 -9.196 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.412 -8.629 3.549 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.682 -6.491 4.902 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.892 -6.110 6.295 1.00 0.00 C ATOM 1963 C GLU A 123 -12.691 -4.609 6.491 1.00 0.00 C ATOM 1964 O GLU A 123 -13.282 -4.007 7.386 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.943 -6.890 7.208 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.164 -6.628 8.688 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.252 -7.459 9.569 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.626 -8.605 9.898 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.162 -6.966 9.927 1.00 0.00 O ATOM 0 H GLU A 123 -11.840 -7.043 4.739 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.921 -6.354 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.063 -7.956 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.915 -6.633 6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.998 -5.571 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.202 -6.843 8.940 1.00 0.00 H new ATOM 1976 N MET A 124 -11.853 -4.013 5.648 1.00 0.00 N ATOM 1977 CA MET A 124 -11.569 -2.584 5.734 1.00 0.00 C ATOM 1978 C MET A 124 -12.769 -1.752 5.286 1.00 0.00 C ATOM 1979 O MET A 124 -13.159 -0.799 5.961 1.00 0.00 O ATOM 1980 CB MET A 124 -10.347 -2.232 4.882 1.00 0.00 C ATOM 1981 CG MET A 124 -10.002 -0.750 4.889 1.00 0.00 C ATOM 1982 SD MET A 124 -8.571 -0.364 3.864 1.00 0.00 S ATOM 1983 CE MET A 124 -9.161 -0.868 2.251 1.00 0.00 C ATOM 0 H MET A 124 -11.359 -4.497 4.898 1.00 0.00 H new ATOM 0 HA MET A 124 -11.360 -2.349 6.778 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.488 -2.797 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.528 -2.549 3.855 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.861 -0.180 4.536 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.807 -0.431 5.913 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.565 -0.384 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.073 -1.950 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.206 -0.578 2.139 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.348 -2.113 4.144 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.498 -1.387 3.613 1.00 0.00 C ATOM 1995 C PHE A 125 -15.756 -1.653 4.434 1.00 0.00 C ATOM 1996 O PHE A 125 -16.551 -0.744 4.672 1.00 0.00 O ATOM 1997 CB PHE A 125 -14.735 -1.756 2.148 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.776 -1.087 1.206 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.988 0.221 0.798 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -12.662 -1.760 0.733 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.108 0.844 -0.064 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -11.778 -1.142 -0.131 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.001 0.161 -0.530 1.00 0.00 C ATOM 0 H PHE A 125 -13.042 -2.899 3.571 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.274 -0.322 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -14.651 -2.837 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.754 -1.485 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.852 0.759 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -12.482 -2.779 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.284 1.864 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -10.913 -1.678 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.311 0.645 -1.205 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.934 -2.898 4.865 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.099 -3.265 5.663 1.00 0.00 C ATOM 2015 C LEU A 126 -17.089 -2.534 7.002 1.00 0.00 C ATOM 2016 O LEU A 126 -18.121 -2.048 7.463 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.139 -4.779 5.894 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.251 -5.524 5.150 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -18.059 -5.422 3.643 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.294 -6.982 5.585 1.00 0.00 C ATOM 0 H LEU A 126 -15.290 -3.666 4.676 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.992 -2.970 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.179 -5.201 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.251 -4.964 6.962 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.203 -5.057 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.861 -5.959 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -18.079 -4.374 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -17.099 -5.860 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.089 -7.499 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.338 -7.456 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.485 -7.036 6.657 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.914 -2.459 7.621 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.768 -1.782 8.903 1.00 0.00 C ATOM 2034 C ASP A 127 -15.998 -0.283 8.751 1.00 0.00 C ATOM 2035 O ASP A 127 -16.646 0.344 9.589 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.379 -2.039 9.488 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.191 -1.375 10.838 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.504 -2.018 11.863 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.735 -0.214 10.872 1.00 0.00 O ATOM 0 H ASP A 127 -15.050 -2.859 7.254 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.519 -2.182 9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.223 -3.113 9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.622 -1.671 8.796 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.459 0.284 7.675 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.604 1.709 7.405 1.00 0.00 C ATOM 2046 C TYR A 128 -17.077 2.091 7.306 1.00 0.00 C ATOM 2047 O TYR A 128 -17.502 3.113 7.844 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.876 2.078 6.112 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.959 3.547 5.767 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.196 4.484 6.451 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.802 3.995 4.759 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.271 5.828 6.140 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.882 5.338 4.440 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.115 6.249 5.134 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.192 7.588 4.821 1.00 0.00 O ATOM 0 H TYR A 128 -14.917 -0.224 6.976 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.159 2.263 8.232 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.828 1.793 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.295 1.497 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.533 4.157 7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.405 3.283 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.672 6.545 6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.541 5.671 3.652 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.831 7.717 4.090 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.850 1.263 6.612 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.276 1.508 6.449 1.00 0.00 C ATOM 2067 C ARG A 129 -19.993 1.409 7.791 1.00 0.00 C ATOM 2068 O ARG A 129 -20.961 2.127 8.044 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.879 0.508 5.461 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.366 0.713 5.223 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.943 -0.369 4.326 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.377 -0.191 4.112 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.056 -0.771 3.127 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.435 -1.570 2.270 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.358 -0.551 2.999 1.00 0.00 N ATOM 0 H ARG A 129 -17.512 0.417 6.154 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.407 2.516 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.353 0.587 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.715 -0.503 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.891 0.713 6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.531 1.690 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.428 -0.357 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.761 -1.346 4.773 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.887 0.414 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.434 -1.741 2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.958 -2.014 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.838 0.063 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.879 -0.996 2.243 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.509 0.516 8.648 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.100 0.320 9.965 1.00 0.00 C ATOM 2091 C ALA A 130 -20.003 1.591 10.804 1.00 0.00 C ATOM 2092 O ALA A 130 -20.917 1.913 11.564 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.424 -0.839 10.680 1.00 0.00 C ATOM 0 H ALA A 130 -18.708 -0.084 8.453 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.155 0.083 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.876 -0.974 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.549 -1.750 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.361 -0.625 10.796 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.891 2.307 10.661 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.677 3.544 11.406 1.00 0.00 C ATOM 2101 C GLU A 131 -19.729 4.588 11.042 1.00 0.00 C ATOM 2102 O GLU A 131 -20.086 5.434 11.864 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.277 4.098 11.134 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.156 3.208 11.649 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.785 3.813 11.422 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.311 4.557 12.307 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.184 3.544 10.360 1.00 0.00 O ATOM 0 H GLU A 131 -18.125 2.052 10.037 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.768 3.316 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.154 4.238 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.189 5.082 11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.299 3.029 12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.209 2.239 11.153 1.00 0.00 H new