USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -0.456 K(o=-1.5,f=-0.16) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.04 K(o=-1.5,f=-0.16) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -84:sc= 0.607 USER MOD Set 2.3: A 124 MET CE :methyl 162:sc= -0.429 (180deg=-0.879) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= -1.08 K(o=-1.1,f=0.35) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.232 (180deg=-0.997) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0318 (180deg=-0.297) USER MOD Single : A 48 TYR OH : rot 120:sc= -0.375 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 98:sc= 0.156 USER MOD Single : A 58 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.424 K(o=-0.42,f=-0.99) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 166:sc= 0.62 USER MOD Single : A 89 ASN : amide:sc= -1.07 K(o=-1.1,f=-12!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -19:sc= 0.266 USER MOD Single : A 95 THR OG1 : rot 73:sc= 0.988 USER MOD Single : A 96 THR OG1 : rot 79:sc= 0.0849 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.584 K(o=-0.58,f=-0.083) USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= -0.71 (180deg=-1.99!) USER MOD Single : A 111 MET CE :methyl -163:sc= -0.661 (180deg=-1.29) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -122:sc= -0.848 (180deg=-1.24) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.895 2.498 5.893 1.00 0.00 N ATOM 243 CA ALA A 19 19.114 3.728 5.899 1.00 0.00 C ATOM 244 C ALA A 19 18.154 3.778 4.714 1.00 0.00 C ATOM 245 O ALA A 19 17.143 4.479 4.754 1.00 0.00 O ATOM 246 CB ALA A 19 20.033 4.940 5.889 1.00 0.00 C ATOM 0 HA ALA A 19 18.521 3.745 6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.434 5.851 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.671 4.920 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.654 4.919 4.993 1.00 0.00 H new ATOM 252 N GLU A 20 18.480 3.036 3.658 1.00 0.00 N ATOM 253 CA GLU A 20 17.647 3.001 2.461 1.00 0.00 C ATOM 254 C GLU A 20 16.222 2.569 2.799 1.00 0.00 C ATOM 255 O GLU A 20 15.256 3.162 2.320 1.00 0.00 O ATOM 256 CB GLU A 20 18.249 2.059 1.416 1.00 0.00 C ATOM 257 CG GLU A 20 17.667 2.246 0.024 1.00 0.00 C ATOM 258 CD GLU A 20 18.458 1.514 -1.043 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.622 1.898 -1.286 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.914 0.560 -1.638 1.00 0.00 O ATOM 0 H GLU A 20 19.315 2.452 3.608 1.00 0.00 H new ATOM 0 HA GLU A 20 17.611 4.009 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.327 2.216 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.089 1.028 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.636 1.891 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.640 3.309 -0.214 1.00 0.00 H new ATOM 267 N PHE A 21 16.097 1.533 3.626 1.00 0.00 N ATOM 268 CA PHE A 21 14.786 1.034 4.035 1.00 0.00 C ATOM 269 C PHE A 21 13.986 2.135 4.724 1.00 0.00 C ATOM 270 O PHE A 21 12.849 2.421 4.345 1.00 0.00 O ATOM 271 CB PHE A 21 14.942 -0.164 4.976 1.00 0.00 C ATOM 272 CG PHE A 21 13.638 -0.776 5.412 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.974 -0.305 6.534 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.078 -1.828 4.701 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.779 -0.870 6.940 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.883 -2.395 5.101 1.00 0.00 C ATOM 277 CZ PHE A 21 11.234 -1.916 6.223 1.00 0.00 C ATOM 0 H PHE A 21 16.886 1.024 4.025 1.00 0.00 H new ATOM 0 HA PHE A 21 14.247 0.715 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.541 -0.927 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.497 0.151 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.395 0.514 7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.582 -2.208 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.273 -0.493 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.457 -3.212 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.301 -2.360 6.539 1.00 0.00 H new ATOM 287 N ASP A 22 14.590 2.749 5.737 1.00 0.00 N ATOM 288 CA ASP A 22 13.942 3.820 6.483 1.00 0.00 C ATOM 289 C ASP A 22 13.612 4.997 5.569 1.00 0.00 C ATOM 290 O ASP A 22 12.655 5.734 5.810 1.00 0.00 O ATOM 291 CB ASP A 22 14.838 4.285 7.632 1.00 0.00 C ATOM 292 CG ASP A 22 14.204 5.396 8.448 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.396 6.577 8.090 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.519 5.084 9.444 1.00 0.00 O ATOM 0 H ASP A 22 15.530 2.521 6.060 1.00 0.00 H new ATOM 0 HA ASP A 22 13.011 3.431 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.057 3.439 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.790 4.632 7.229 1.00 0.00 H new ATOM 299 N ALA A 23 14.410 5.166 4.519 1.00 0.00 N ATOM 300 CA ALA A 23 14.202 6.251 3.567 1.00 0.00 C ATOM 301 C ALA A 23 12.879 6.081 2.832 1.00 0.00 C ATOM 302 O ALA A 23 12.070 7.007 2.766 1.00 0.00 O ATOM 303 CB ALA A 23 15.356 6.317 2.577 1.00 0.00 C ATOM 0 H ALA A 23 15.206 4.565 4.306 1.00 0.00 H new ATOM 0 HA ALA A 23 14.165 7.189 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.186 7.132 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.288 6.491 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.422 5.375 2.032 1.00 0.00 H new ATOM 309 N VAL A 24 12.663 4.889 2.284 1.00 0.00 N ATOM 310 CA VAL A 24 11.436 4.592 1.554 1.00 0.00 C ATOM 311 C VAL A 24 10.211 4.805 2.439 1.00 0.00 C ATOM 312 O VAL A 24 9.239 5.435 2.026 1.00 0.00 O ATOM 313 CB VAL A 24 11.433 3.145 1.026 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.179 2.875 0.208 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.682 2.875 0.200 1.00 0.00 C ATOM 0 H VAL A 24 13.323 4.113 2.332 1.00 0.00 H new ATOM 0 HA VAL A 24 11.394 5.277 0.707 1.00 0.00 H new ATOM 0 HB VAL A 24 11.435 2.468 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.196 1.848 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.298 3.024 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.143 3.559 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.662 1.848 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.713 3.560 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.567 3.023 0.819 1.00 0.00 H new ATOM 325 N VAL A 25 10.270 4.275 3.658 1.00 0.00 N ATOM 326 CA VAL A 25 9.169 4.405 4.606 1.00 0.00 C ATOM 327 C VAL A 25 8.796 5.870 4.817 1.00 0.00 C ATOM 328 O VAL A 25 7.616 6.218 4.868 1.00 0.00 O ATOM 329 CB VAL A 25 9.525 3.771 5.966 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.375 3.924 6.951 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.891 2.305 5.791 1.00 0.00 C ATOM 0 H VAL A 25 11.070 3.751 4.012 1.00 0.00 H new ATOM 0 HA VAL A 25 8.316 3.876 4.180 1.00 0.00 H new ATOM 0 HB VAL A 25 10.390 4.295 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.649 3.469 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.163 4.983 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.488 3.430 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.139 1.874 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.046 1.768 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.751 2.221 5.126 1.00 0.00 H new ATOM 341 N GLY A 26 9.810 6.723 4.938 1.00 0.00 N ATOM 342 CA GLY A 26 9.568 8.141 5.138 1.00 0.00 C ATOM 343 C GLY A 26 8.815 8.766 3.979 1.00 0.00 C ATOM 344 O GLY A 26 7.903 9.569 4.183 1.00 0.00 O ATOM 0 H GLY A 26 10.794 6.457 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.000 8.284 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.520 8.655 5.269 1.00 0.00 H new ATOM 348 N TYR A 27 9.194 8.394 2.760 1.00 0.00 N ATOM 349 CA TYR A 27 8.546 8.920 1.566 1.00 0.00 C ATOM 350 C TYR A 27 7.111 8.416 1.464 1.00 0.00 C ATOM 351 O TYR A 27 6.229 9.121 0.974 1.00 0.00 O ATOM 352 CB TYR A 27 9.329 8.524 0.312 1.00 0.00 C ATOM 353 CG TYR A 27 10.733 9.086 0.266 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.970 10.436 0.495 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.821 8.266 -0.006 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.251 10.952 0.453 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.104 8.775 -0.048 1.00 0.00 C ATOM 358 CZ TYR A 27 13.314 10.117 0.182 1.00 0.00 C ATOM 359 OH TYR A 27 14.591 10.628 0.139 1.00 0.00 O ATOM 0 H TYR A 27 9.946 7.731 2.574 1.00 0.00 H new ATOM 0 HA TYR A 27 8.529 10.007 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.381 7.437 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.783 8.863 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.140 11.092 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.661 7.213 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.419 12.004 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.939 8.124 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 27 15.225 9.908 -0.063 1.00 0.00 H new ATOM 369 N LEU A 28 6.884 7.192 1.931 1.00 0.00 N ATOM 370 CA LEU A 28 5.554 6.594 1.895 1.00 0.00 C ATOM 371 C LEU A 28 4.597 7.348 2.811 1.00 0.00 C ATOM 372 O LEU A 28 3.470 7.659 2.426 1.00 0.00 O ATOM 373 CB LEU A 28 5.620 5.120 2.303 1.00 0.00 C ATOM 374 CG LEU A 28 6.387 4.211 1.341 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.503 2.807 1.912 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.707 4.177 -0.020 1.00 0.00 C ATOM 0 H LEU A 28 7.604 6.595 2.339 1.00 0.00 H new ATOM 0 HA LEU A 28 5.180 6.661 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.083 5.053 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.603 4.741 2.402 1.00 0.00 H new ATOM 0 HG LEU A 28 7.391 4.616 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.052 2.175 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.034 2.844 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.506 2.395 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.267 3.525 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.691 3.797 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.675 5.184 -0.436 1.00 0.00 H new ATOM 388 N GLU A 29 5.055 7.643 4.024 1.00 0.00 N ATOM 389 CA GLU A 29 4.242 8.365 4.996 1.00 0.00 C ATOM 390 C GLU A 29 3.845 9.736 4.460 1.00 0.00 C ATOM 391 O GLU A 29 2.708 10.175 4.630 1.00 0.00 O ATOM 392 CB GLU A 29 4.999 8.516 6.317 1.00 0.00 C ATOM 393 CG GLU A 29 5.265 7.194 7.018 1.00 0.00 C ATOM 394 CD GLU A 29 6.017 7.369 8.323 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.379 7.737 9.331 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.246 7.141 8.335 1.00 0.00 O ATOM 0 H GLU A 29 5.986 7.393 4.357 1.00 0.00 H new ATOM 0 HA GLU A 29 3.334 7.788 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.949 9.015 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.427 9.162 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.317 6.693 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.838 6.545 6.356 1.00 0.00 H new ATOM 403 N ASP A 30 4.793 10.409 3.813 1.00 0.00 N ATOM 404 CA ASP A 30 4.542 11.730 3.249 1.00 0.00 C ATOM 405 C ASP A 30 3.414 11.674 2.222 1.00 0.00 C ATOM 406 O ASP A 30 2.653 12.630 2.069 1.00 0.00 O ATOM 407 CB ASP A 30 5.813 12.279 2.599 1.00 0.00 C ATOM 408 CG ASP A 30 5.600 13.644 1.974 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.771 14.656 2.685 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.261 13.700 0.773 1.00 0.00 O ATOM 0 H ASP A 30 5.741 10.061 3.667 1.00 0.00 H new ATOM 0 HA ASP A 30 4.241 12.395 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.602 12.345 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.157 11.582 1.835 1.00 0.00 H new ATOM 415 N ILE A 31 3.312 10.546 1.525 1.00 0.00 N ATOM 416 CA ILE A 31 2.278 10.358 0.512 1.00 0.00 C ATOM 417 C ILE A 31 0.932 10.038 1.155 1.00 0.00 C ATOM 418 O ILE A 31 -0.111 10.510 0.703 1.00 0.00 O ATOM 419 CB ILE A 31 2.654 9.224 -0.464 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.971 9.550 -1.172 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.541 9.002 -1.481 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.550 8.382 -1.942 1.00 0.00 C ATOM 0 H ILE A 31 3.934 9.747 1.644 1.00 0.00 H new ATOM 0 HA ILE A 31 2.198 11.294 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 31 2.784 8.304 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.809 10.382 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.699 9.883 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.824 8.198 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.622 8.731 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.379 9.918 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.482 8.686 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.744 7.556 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.841 8.062 -2.705 1.00 0.00 H new ATOM 434 N ILE A 32 0.964 9.232 2.212 1.00 0.00 N ATOM 435 CA ILE A 32 -0.252 8.848 2.920 1.00 0.00 C ATOM 436 C ILE A 32 -0.908 10.057 3.582 1.00 0.00 C ATOM 437 O ILE A 32 -2.132 10.125 3.695 1.00 0.00 O ATOM 438 CB ILE A 32 0.041 7.776 3.992 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.620 6.518 3.340 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.221 7.444 4.776 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.078 5.471 4.334 1.00 0.00 C ATOM 0 H ILE A 32 1.820 8.832 2.597 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.936 8.432 2.180 1.00 0.00 H new ATOM 0 HB ILE A 32 0.779 8.174 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.133 6.080 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.463 6.802 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.994 6.687 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.591 8.344 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.983 7.064 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.476 4.610 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.855 5.891 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.233 5.158 4.948 1.00 0.00 H new ATOM 453 N MET A 33 -0.086 11.009 4.012 1.00 0.00 N ATOM 454 CA MET A 33 -0.587 12.213 4.665 1.00 0.00 C ATOM 455 C MET A 33 -0.754 13.354 3.664 1.00 0.00 C ATOM 456 O MET A 33 -0.819 14.522 4.048 1.00 0.00 O ATOM 457 CB MET A 33 0.364 12.642 5.786 1.00 0.00 C ATOM 458 CG MET A 33 0.491 11.620 6.902 1.00 0.00 C ATOM 459 SD MET A 33 1.628 12.147 8.199 1.00 0.00 S ATOM 460 CE MET A 33 1.503 10.773 9.341 1.00 0.00 C ATOM 0 H MET A 33 0.929 10.970 3.920 1.00 0.00 H new ATOM 0 HA MET A 33 -1.564 11.982 5.089 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.351 12.829 5.362 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.014 13.585 6.207 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.492 11.439 7.337 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.835 10.673 6.485 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.151 10.953 10.199 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.472 10.674 9.680 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.810 9.855 8.840 1.00 0.00 H new ATOM 470 N ASP A 34 -0.830 13.010 2.382 1.00 0.00 N ATOM 471 CA ASP A 34 -0.990 14.011 1.331 1.00 0.00 C ATOM 472 C ASP A 34 -2.461 14.358 1.124 1.00 0.00 C ATOM 473 O ASP A 34 -3.323 13.479 1.133 1.00 0.00 O ATOM 474 CB ASP A 34 -0.382 13.509 0.020 1.00 0.00 C ATOM 475 CG ASP A 34 -0.422 14.558 -1.073 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.546 15.339 -1.181 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.421 14.599 -1.819 1.00 0.00 O ATOM 0 H ASP A 34 -0.784 12.048 2.046 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.465 14.913 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.651 13.208 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.921 12.622 -0.311 1.00 0.00 H new ATOM 482 N ASP A 35 -2.737 15.645 0.935 1.00 0.00 N ATOM 483 CA ASP A 35 -4.104 16.120 0.731 1.00 0.00 C ATOM 484 C ASP A 35 -4.770 15.414 -0.445 1.00 0.00 C ATOM 485 O ASP A 35 -5.880 14.896 -0.321 1.00 0.00 O ATOM 486 CB ASP A 35 -4.109 17.632 0.501 1.00 0.00 C ATOM 487 CG ASP A 35 -5.501 18.174 0.242 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.214 18.474 1.223 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.879 18.299 -0.942 1.00 0.00 O ATOM 0 H ASP A 35 -2.031 16.381 0.919 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.674 15.889 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.685 18.130 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.466 17.870 -0.347 1.00 0.00 H new ATOM 494 N GLU A 36 -4.089 15.399 -1.588 1.00 0.00 N ATOM 495 CA GLU A 36 -4.623 14.761 -2.787 1.00 0.00 C ATOM 496 C GLU A 36 -4.882 13.277 -2.549 1.00 0.00 C ATOM 497 O GLU A 36 -5.755 12.681 -3.178 1.00 0.00 O ATOM 498 CB GLU A 36 -3.656 14.941 -3.960 1.00 0.00 C ATOM 499 CG GLU A 36 -4.169 14.360 -5.268 1.00 0.00 C ATOM 500 CD GLU A 36 -3.201 14.569 -6.416 1.00 0.00 C ATOM 501 OE1 GLU A 36 -3.287 15.622 -7.082 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.356 13.678 -6.649 1.00 0.00 O ATOM 0 H GLU A 36 -3.168 15.821 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.572 15.240 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.459 16.004 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.705 14.470 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.352 13.293 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.126 14.820 -5.516 1.00 0.00 H new ATOM 509 N PHE A 37 -4.120 12.686 -1.634 1.00 0.00 N ATOM 510 CA PHE A 37 -4.266 11.271 -1.319 1.00 0.00 C ATOM 511 C PHE A 37 -5.523 11.020 -0.492 1.00 0.00 C ATOM 512 O PHE A 37 -6.165 9.977 -0.622 1.00 0.00 O ATOM 513 CB PHE A 37 -3.034 10.766 -0.566 1.00 0.00 C ATOM 514 CG PHE A 37 -3.020 9.276 -0.363 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.804 8.420 -1.431 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.221 8.733 0.895 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.789 7.050 -1.247 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.207 7.365 1.086 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.991 6.521 0.013 1.00 0.00 C ATOM 0 H PHE A 37 -3.396 13.165 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.360 10.724 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.139 11.058 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.986 11.257 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.646 8.828 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.391 9.387 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.619 6.394 -2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.365 6.955 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.980 5.451 0.159 1.00 0.00 H new ATOM 529 N GLN A 38 -5.872 11.982 0.356 1.00 0.00 N ATOM 530 CA GLN A 38 -7.052 11.863 1.205 1.00 0.00 C ATOM 531 C GLN A 38 -8.334 11.910 0.379 1.00 0.00 C ATOM 532 O GLN A 38 -9.228 11.084 0.557 1.00 0.00 O ATOM 533 CB GLN A 38 -7.063 12.981 2.247 1.00 0.00 C ATOM 534 CG GLN A 38 -5.839 12.987 3.146 1.00 0.00 C ATOM 535 CD GLN A 38 -5.790 11.790 4.077 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.824 11.241 4.457 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.583 11.381 4.454 1.00 0.00 N ATOM 0 H GLN A 38 -5.354 12.853 0.474 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.008 10.898 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.133 13.941 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.956 12.882 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.940 12.999 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.832 13.903 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.752 11.865 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.488 10.583 5.082 1.00 0.00 H new ATOM 546 N LEU A 39 -8.417 12.881 -0.527 1.00 0.00 N ATOM 547 CA LEU A 39 -9.594 13.038 -1.376 1.00 0.00 C ATOM 548 C LEU A 39 -9.704 11.889 -2.376 1.00 0.00 C ATOM 549 O LEU A 39 -10.788 11.351 -2.598 1.00 0.00 O ATOM 550 CB LEU A 39 -9.540 14.380 -2.114 1.00 0.00 C ATOM 551 CG LEU A 39 -10.883 14.894 -2.643 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.827 16.398 -2.863 1.00 0.00 C ATOM 553 CD2 LEU A 39 -11.260 14.185 -3.936 1.00 0.00 C ATOM 0 H LEU A 39 -7.684 13.570 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.478 13.020 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.123 15.129 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.850 14.287 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.648 14.678 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.789 16.747 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.604 16.896 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.048 16.631 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.217 14.565 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.493 14.368 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.341 13.114 -3.753 1.00 0.00 H new ATOM 565 N LEU A 40 -8.575 11.517 -2.972 1.00 0.00 N ATOM 566 CA LEU A 40 -8.543 10.433 -3.951 1.00 0.00 C ATOM 567 C LEU A 40 -9.002 9.118 -3.330 1.00 0.00 C ATOM 568 O LEU A 40 -9.888 8.446 -3.858 1.00 0.00 O ATOM 569 CB LEU A 40 -7.129 10.282 -4.524 1.00 0.00 C ATOM 570 CG LEU A 40 -6.950 9.165 -5.557 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.902 9.554 -6.588 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.557 7.861 -4.877 1.00 0.00 C ATOM 0 H LEU A 40 -7.669 11.950 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.231 10.684 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.839 11.227 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.439 10.104 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.903 9.018 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.789 8.748 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.216 10.463 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.949 9.730 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.435 7.081 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.618 7.999 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.336 7.568 -4.174 1.00 0.00 H new ATOM 584 N GLN A 41 -8.391 8.758 -2.206 1.00 0.00 N ATOM 585 CA GLN A 41 -8.725 7.518 -1.513 1.00 0.00 C ATOM 586 C GLN A 41 -10.210 7.456 -1.162 1.00 0.00 C ATOM 587 O GLN A 41 -10.895 6.495 -1.507 1.00 0.00 O ATOM 588 CB GLN A 41 -7.883 7.384 -0.242 1.00 0.00 C ATOM 589 CG GLN A 41 -8.178 6.123 0.554 1.00 0.00 C ATOM 590 CD GLN A 41 -7.394 6.050 1.851 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.854 5.471 2.836 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.201 6.635 1.859 1.00 0.00 N ATOM 0 H GLN A 41 -7.660 9.308 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.503 6.689 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.827 7.394 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.057 8.253 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.244 6.080 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.944 5.251 -0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.857 7.104 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.629 6.615 2.703 1.00 0.00 H new ATOM 601 N ARG A 42 -10.699 8.487 -0.480 1.00 0.00 N ATOM 602 CA ARG A 42 -12.101 8.542 -0.073 1.00 0.00 C ATOM 603 C ARG A 42 -13.032 8.552 -1.284 1.00 0.00 C ATOM 604 O ARG A 42 -14.137 8.012 -1.231 1.00 0.00 O ATOM 605 CB ARG A 42 -12.348 9.783 0.792 1.00 0.00 C ATOM 606 CG ARG A 42 -13.712 9.807 1.465 1.00 0.00 C ATOM 607 CD ARG A 42 -14.762 10.471 0.588 1.00 0.00 C ATOM 608 NE ARG A 42 -14.397 11.843 0.243 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.131 12.628 -0.540 1.00 0.00 C ATOM 610 NH1 ARG A 42 -16.271 12.183 -1.052 1.00 0.00 N ATOM 611 NH2 ARG A 42 -14.724 13.861 -0.809 1.00 0.00 N ATOM 0 H ARG A 42 -10.146 9.296 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.318 7.647 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.575 9.839 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.245 10.673 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.022 8.788 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.640 10.340 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.892 9.890 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.721 10.470 1.106 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.530 12.220 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.587 11.236 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.831 12.788 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.849 14.206 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.286 14.464 -1.410 1.00 0.00 H new ATOM 625 N ASN A 43 -12.576 9.162 -2.373 1.00 0.00 N ATOM 626 CA ASN A 43 -13.374 9.247 -3.595 1.00 0.00 C ATOM 627 C ASN A 43 -13.735 7.861 -4.123 1.00 0.00 C ATOM 628 O ASN A 43 -14.893 7.593 -4.443 1.00 0.00 O ATOM 629 CB ASN A 43 -12.617 10.028 -4.671 1.00 0.00 C ATOM 630 CG ASN A 43 -13.383 10.099 -5.978 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.218 9.250 -6.853 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.228 11.114 -6.115 1.00 0.00 N ATOM 0 H ASN A 43 -11.659 9.605 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.298 9.771 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.420 11.038 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.649 9.558 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.772 11.213 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.333 11.795 -5.363 1.00 0.00 H new ATOM 639 N PHE A 44 -12.740 6.986 -4.213 1.00 0.00 N ATOM 640 CA PHE A 44 -12.958 5.632 -4.712 1.00 0.00 C ATOM 641 C PHE A 44 -13.596 4.739 -3.651 1.00 0.00 C ATOM 642 O PHE A 44 -14.421 3.884 -3.967 1.00 0.00 O ATOM 643 CB PHE A 44 -11.639 5.023 -5.193 1.00 0.00 C ATOM 644 CG PHE A 44 -11.191 5.547 -6.530 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.414 6.690 -6.617 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.552 4.894 -7.698 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.002 7.172 -7.847 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.144 5.372 -8.929 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.369 6.512 -9.004 1.00 0.00 C ATOM 0 H PHE A 44 -11.776 7.189 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.648 5.696 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.864 5.224 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.748 3.940 -5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.127 7.211 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.159 4.002 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.394 8.063 -7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.431 4.854 -9.832 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.050 6.887 -9.965 1.00 0.00 H new ATOM 659 N MET A 45 -13.219 4.945 -2.393 1.00 0.00 N ATOM 660 CA MET A 45 -13.758 4.148 -1.294 1.00 0.00 C ATOM 661 C MET A 45 -15.267 4.341 -1.156 1.00 0.00 C ATOM 662 O MET A 45 -15.965 3.472 -0.635 1.00 0.00 O ATOM 663 CB MET A 45 -13.067 4.508 0.021 1.00 0.00 C ATOM 664 CG MET A 45 -11.649 3.972 0.131 1.00 0.00 C ATOM 665 SD MET A 45 -10.912 4.280 1.749 1.00 0.00 S ATOM 666 CE MET A 45 -12.061 3.414 2.815 1.00 0.00 C ATOM 0 H MET A 45 -12.544 5.655 -2.109 1.00 0.00 H new ATOM 0 HA MET A 45 -13.565 3.100 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.045 5.593 0.125 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.658 4.120 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.654 2.899 -0.063 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.030 4.432 -0.639 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.555 3.125 3.736 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.901 4.067 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.427 2.522 2.307 1.00 0.00 H new ATOM 676 N ASP A 46 -15.762 5.483 -1.623 1.00 0.00 N ATOM 677 CA ASP A 46 -17.188 5.790 -1.546 1.00 0.00 C ATOM 678 C ASP A 46 -18.007 4.817 -2.392 1.00 0.00 C ATOM 679 O ASP A 46 -19.153 4.511 -2.066 1.00 0.00 O ATOM 680 CB ASP A 46 -17.447 7.226 -2.007 1.00 0.00 C ATOM 681 CG ASP A 46 -18.913 7.604 -1.936 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.384 7.952 -0.833 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.592 7.553 -2.984 1.00 0.00 O ATOM 0 H ASP A 46 -15.197 6.212 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.498 5.686 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.868 7.912 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.094 7.344 -3.031 1.00 0.00 H new ATOM 688 N LYS A 47 -17.411 4.339 -3.479 1.00 0.00 N ATOM 689 CA LYS A 47 -18.086 3.406 -4.377 1.00 0.00 C ATOM 690 C LYS A 47 -17.713 1.964 -4.050 1.00 0.00 C ATOM 691 O LYS A 47 -18.572 1.084 -3.991 1.00 0.00 O ATOM 692 CB LYS A 47 -17.710 3.715 -5.826 1.00 0.00 C ATOM 693 CG LYS A 47 -18.608 3.039 -6.850 1.00 0.00 C ATOM 694 CD LYS A 47 -20.027 3.578 -6.792 1.00 0.00 C ATOM 695 CE LYS A 47 -20.929 2.884 -7.799 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.018 1.418 -7.550 1.00 0.00 N ATOM 0 H LYS A 47 -16.461 4.582 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.161 3.524 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.747 4.794 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.680 3.404 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.201 3.192 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.619 1.964 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.428 3.441 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.018 4.650 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.927 3.321 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.550 3.058 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.821 1.024 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.139 0.959 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.156 1.246 -6.534 1.00 0.00 H new ATOM 710 N TYR A 48 -16.422 1.736 -3.848 1.00 0.00 N ATOM 711 CA TYR A 48 -15.910 0.405 -3.533 1.00 0.00 C ATOM 712 C TYR A 48 -16.624 -0.213 -2.332 1.00 0.00 C ATOM 713 O TYR A 48 -17.032 -1.373 -2.377 1.00 0.00 O ATOM 714 CB TYR A 48 -14.407 0.473 -3.261 1.00 0.00 C ATOM 715 CG TYR A 48 -13.555 0.436 -4.510 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.702 1.393 -5.507 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.602 -0.557 -4.690 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.921 1.359 -6.648 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.818 -0.597 -5.826 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.981 0.363 -6.801 1.00 0.00 C ATOM 721 OH TYR A 48 -11.202 0.325 -7.935 1.00 0.00 O ATOM 0 H TYR A 48 -15.705 2.459 -3.897 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.101 -0.232 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.188 1.388 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.126 -0.360 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.437 2.175 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.471 -1.311 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.047 2.109 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.081 -1.377 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.257 0.400 -7.686 1.00 0.00 H new ATOM 731 N TYR A 49 -16.774 0.562 -1.263 1.00 0.00 N ATOM 732 CA TYR A 49 -17.425 0.069 -0.051 1.00 0.00 C ATOM 733 C TYR A 49 -18.893 -0.272 -0.306 1.00 0.00 C ATOM 734 O TYR A 49 -19.516 -0.988 0.479 1.00 0.00 O ATOM 735 CB TYR A 49 -17.289 1.095 1.084 1.00 0.00 C ATOM 736 CG TYR A 49 -18.538 1.909 1.358 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.821 3.055 0.627 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.427 1.533 2.359 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.955 3.803 0.883 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.564 2.274 2.620 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.822 3.409 1.880 1.00 0.00 C ATOM 742 OH TYR A 49 -21.953 4.151 2.136 1.00 0.00 O ATOM 0 H TYR A 49 -16.456 1.530 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.924 -0.850 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.007 0.571 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.474 1.777 0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.144 3.367 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.225 0.647 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.161 4.692 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.246 1.966 3.399 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.457 3.737 2.867 1.00 0.00 H new ATOM 752 N LEU A 50 -19.441 0.240 -1.404 1.00 0.00 N ATOM 753 CA LEU A 50 -20.834 -0.021 -1.754 1.00 0.00 C ATOM 754 C LEU A 50 -20.980 -1.380 -2.429 1.00 0.00 C ATOM 755 O LEU A 50 -21.911 -2.132 -2.137 1.00 0.00 O ATOM 756 CB LEU A 50 -21.371 1.074 -2.677 1.00 0.00 C ATOM 757 CG LEU A 50 -21.530 2.451 -2.033 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.906 3.486 -3.082 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.580 2.405 -0.932 1.00 0.00 C ATOM 0 H LEU A 50 -18.944 0.836 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.414 -0.025 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.701 1.166 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.340 0.758 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.577 2.738 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.016 4.461 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.124 3.537 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.848 3.203 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.681 3.393 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.537 2.099 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.275 1.690 -0.168 1.00 0.00 H new ATOM 771 N GLU A 51 -20.056 -1.687 -3.332 1.00 0.00 N ATOM 772 CA GLU A 51 -20.081 -2.956 -4.050 1.00 0.00 C ATOM 773 C GLU A 51 -19.850 -4.125 -3.099 1.00 0.00 C ATOM 774 O GLU A 51 -20.517 -5.155 -3.193 1.00 0.00 O ATOM 775 CB GLU A 51 -19.022 -2.958 -5.154 1.00 0.00 C ATOM 776 CG GLU A 51 -19.233 -1.877 -6.201 1.00 0.00 C ATOM 777 CD GLU A 51 -20.556 -2.020 -6.928 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.622 -2.824 -7.882 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.523 -1.330 -6.545 1.00 0.00 O ATOM 0 H GLU A 51 -19.280 -1.075 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.066 -3.073 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.038 -2.828 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.022 -3.932 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.190 -0.899 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.419 -1.914 -6.925 1.00 0.00 H new ATOM 786 N PHE A 52 -18.901 -3.957 -2.183 1.00 0.00 N ATOM 787 CA PHE A 52 -18.583 -4.998 -1.213 1.00 0.00 C ATOM 788 C PHE A 52 -19.671 -5.104 -0.149 1.00 0.00 C ATOM 789 O PHE A 52 -19.609 -4.449 0.890 1.00 0.00 O ATOM 790 CB PHE A 52 -17.230 -4.717 -0.555 1.00 0.00 C ATOM 791 CG PHE A 52 -16.056 -5.011 -1.445 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.854 -4.293 -2.614 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.152 -6.008 -1.113 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.773 -4.563 -3.433 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.070 -6.282 -1.928 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.881 -5.559 -3.089 1.00 0.00 C ATOM 0 H PHE A 52 -18.339 -3.110 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.529 -5.949 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.193 -3.670 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.146 -5.314 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.549 -3.513 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.295 -6.578 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.627 -3.996 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.373 -7.061 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.036 -5.772 -3.727 1.00 0.00 H new ATOM 806 N GLU A 53 -20.674 -5.933 -0.424 1.00 0.00 N ATOM 807 CA GLU A 53 -21.782 -6.133 0.503 1.00 0.00 C ATOM 808 C GLU A 53 -21.642 -7.466 1.231 1.00 0.00 C ATOM 809 O GLU A 53 -21.192 -8.455 0.652 1.00 0.00 O ATOM 810 CB GLU A 53 -23.114 -6.081 -0.248 1.00 0.00 C ATOM 811 CG GLU A 53 -24.330 -6.247 0.650 1.00 0.00 C ATOM 812 CD GLU A 53 -25.634 -6.185 -0.121 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.097 -7.247 -0.590 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.192 -5.076 -0.257 1.00 0.00 O ATOM 0 H GLU A 53 -20.742 -6.478 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.760 -5.332 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.188 -5.128 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.124 -6.864 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.265 -7.202 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.324 -5.467 1.412 1.00 0.00 H new ATOM 821 N ASP A 54 -22.031 -7.486 2.503 1.00 0.00 N ATOM 822 CA ASP A 54 -21.944 -8.698 3.308 1.00 0.00 C ATOM 823 C ASP A 54 -22.878 -9.779 2.772 1.00 0.00 C ATOM 824 O ASP A 54 -24.074 -9.782 3.066 1.00 0.00 O ATOM 825 CB ASP A 54 -22.282 -8.391 4.768 1.00 0.00 C ATOM 826 CG ASP A 54 -22.167 -9.613 5.656 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.174 -10.338 5.801 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.071 -9.847 6.206 1.00 0.00 O ATOM 0 H ASP A 54 -22.409 -6.677 2.997 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.921 -9.069 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.614 -7.613 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.296 -7.996 4.828 1.00 0.00 H new ATOM 833 N THR A 55 -22.325 -10.693 1.981 1.00 0.00 N ATOM 834 CA THR A 55 -23.106 -11.781 1.401 1.00 0.00 C ATOM 835 C THR A 55 -22.320 -13.087 1.420 1.00 0.00 C ATOM 836 O THR A 55 -21.113 -13.093 1.662 1.00 0.00 O ATOM 837 CB THR A 55 -23.516 -11.466 -0.049 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.351 -11.220 -0.846 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.438 -10.257 -0.102 1.00 0.00 C ATOM 0 H THR A 55 -21.337 -10.702 1.726 1.00 0.00 H new ATOM 0 HA THR A 55 -24.004 -11.888 2.010 1.00 0.00 H new ATOM 0 HB THR A 55 -24.052 -12.328 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.115 -12.033 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.714 -10.055 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.337 -10.459 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.925 -9.390 0.313 1.00 0.00 H new ATOM 847 N GLU A 56 -23.012 -14.194 1.163 1.00 0.00 N ATOM 848 CA GLU A 56 -22.376 -15.507 1.149 1.00 0.00 C ATOM 849 C GLU A 56 -21.934 -15.881 -0.263 1.00 0.00 C ATOM 850 O GLU A 56 -21.027 -16.694 -0.444 1.00 0.00 O ATOM 851 CB GLU A 56 -23.334 -16.569 1.695 1.00 0.00 C ATOM 852 CG GLU A 56 -23.747 -16.333 3.140 1.00 0.00 C ATOM 853 CD GLU A 56 -22.571 -16.365 4.098 1.00 0.00 C ATOM 854 OE1 GLU A 56 -22.211 -17.470 4.557 1.00 0.00 O ATOM 855 OE2 GLU A 56 -22.013 -15.288 4.390 1.00 0.00 O ATOM 0 H GLU A 56 -24.012 -14.207 0.962 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.494 -15.463 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.227 -16.596 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.861 -17.548 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.247 -15.368 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.471 -17.092 3.435 1.00 0.00 H new ATOM 862 N GLU A 57 -22.579 -15.281 -1.259 1.00 0.00 N ATOM 863 CA GLU A 57 -22.254 -15.549 -2.657 1.00 0.00 C ATOM 864 C GLU A 57 -21.234 -14.548 -3.188 1.00 0.00 C ATOM 865 O GLU A 57 -21.101 -13.441 -2.666 1.00 0.00 O ATOM 866 CB GLU A 57 -23.514 -15.513 -3.521 1.00 0.00 C ATOM 867 CG GLU A 57 -24.424 -16.714 -3.321 1.00 0.00 C ATOM 868 CD GLU A 57 -23.705 -18.035 -3.523 1.00 0.00 C ATOM 869 OE1 GLU A 57 -23.661 -18.516 -4.676 1.00 0.00 O ATOM 870 OE2 GLU A 57 -23.187 -18.587 -2.530 1.00 0.00 O ATOM 0 H GLU A 57 -23.331 -14.605 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.817 -16.546 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.072 -14.604 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.224 -15.459 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.843 -16.683 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.261 -16.650 -4.017 1.00 0.00 H new ATOM 877 N ASN A 58 -20.518 -14.952 -4.231 1.00 0.00 N ATOM 878 CA ASN A 58 -19.499 -14.105 -4.842 1.00 0.00 C ATOM 879 C ASN A 58 -19.881 -13.738 -6.274 1.00 0.00 C ATOM 880 O ASN A 58 -20.345 -14.585 -7.038 1.00 0.00 O ATOM 881 CB ASN A 58 -18.146 -14.821 -4.829 1.00 0.00 C ATOM 882 CG ASN A 58 -17.041 -13.991 -5.449 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.080 -12.760 -5.421 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.043 -14.663 -6.013 1.00 0.00 N ATOM 0 H ASN A 58 -20.625 -15.865 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.425 -13.186 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.878 -15.065 -3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.233 -15.764 -5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.269 -14.159 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.051 -15.683 -6.014 1.00 0.00 H new ATOM 891 N LYS A 59 -19.683 -12.470 -6.633 1.00 0.00 N ATOM 892 CA LYS A 59 -20.008 -11.995 -7.975 1.00 0.00 C ATOM 893 C LYS A 59 -18.745 -11.804 -8.811 1.00 0.00 C ATOM 894 O LYS A 59 -17.637 -11.754 -8.278 1.00 0.00 O ATOM 895 CB LYS A 59 -20.794 -10.686 -7.899 1.00 0.00 C ATOM 896 CG LYS A 59 -22.166 -10.848 -7.266 1.00 0.00 C ATOM 897 CD LYS A 59 -23.129 -11.580 -8.188 1.00 0.00 C ATOM 898 CE LYS A 59 -23.614 -10.685 -9.318 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.530 -11.407 -10.244 1.00 0.00 N ATOM 0 H LYS A 59 -19.300 -11.756 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.625 -12.751 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.220 -9.958 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.910 -10.280 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.072 -11.397 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.572 -9.866 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.637 -12.459 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.984 -11.936 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.128 -9.819 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.757 -10.308 -9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.838 -10.763 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.032 -12.218 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.361 -11.745 -9.717 1.00 0.00 H new ATOM 913 N LEU A 60 -18.921 -11.701 -10.125 1.00 0.00 N ATOM 914 CA LEU A 60 -17.796 -11.522 -11.038 1.00 0.00 C ATOM 915 C LEU A 60 -17.339 -10.065 -11.072 1.00 0.00 C ATOM 916 O LEU A 60 -16.244 -9.762 -11.542 1.00 0.00 O ATOM 917 CB LEU A 60 -18.178 -11.982 -12.447 1.00 0.00 C ATOM 918 CG LEU A 60 -17.048 -11.935 -13.481 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.953 -12.928 -13.126 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.593 -12.211 -14.873 1.00 0.00 C ATOM 0 H LEU A 60 -19.832 -11.738 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.969 -12.131 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.552 -13.004 -12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -19.000 -11.361 -12.803 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.614 -10.935 -13.472 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.161 -12.878 -13.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.544 -12.683 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.369 -13.935 -13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.779 -12.174 -15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.053 -13.199 -14.894 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.339 -11.458 -15.128 1.00 0.00 H new ATOM 932 N ILE A 61 -18.184 -9.171 -10.569 1.00 0.00 N ATOM 933 CA ILE A 61 -17.867 -7.746 -10.549 1.00 0.00 C ATOM 934 C ILE A 61 -16.658 -7.467 -9.658 1.00 0.00 C ATOM 935 O ILE A 61 -16.033 -6.407 -9.749 1.00 0.00 O ATOM 936 CB ILE A 61 -19.073 -6.914 -10.062 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.834 -5.422 -10.310 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.343 -7.175 -8.587 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.753 -5.054 -11.777 1.00 0.00 C ATOM 0 H ILE A 61 -19.093 -9.407 -10.170 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.628 -7.452 -11.571 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.951 -7.219 -10.631 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.639 -4.852 -9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.908 -5.125 -9.818 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.196 -6.580 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.561 -8.233 -8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.465 -6.900 -8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.583 -3.982 -11.874 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.930 -5.596 -12.243 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.688 -5.319 -12.271 1.00 0.00 H new ATOM 951 N TYR A 62 -16.326 -8.430 -8.805 1.00 0.00 N ATOM 952 CA TYR A 62 -15.195 -8.295 -7.896 1.00 0.00 C ATOM 953 C TYR A 62 -13.866 -8.368 -8.647 1.00 0.00 C ATOM 954 O TYR A 62 -12.839 -7.907 -8.148 1.00 0.00 O ATOM 955 CB TYR A 62 -15.245 -9.384 -6.825 1.00 0.00 C ATOM 956 CG TYR A 62 -16.376 -9.208 -5.835 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.693 -9.444 -6.206 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.124 -8.804 -4.531 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.728 -9.284 -5.305 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.153 -8.642 -3.624 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.454 -8.882 -4.015 1.00 0.00 C ATOM 962 OH TYR A 62 -19.481 -8.721 -3.115 1.00 0.00 O ATOM 0 H TYR A 62 -16.826 -9.315 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.265 -7.317 -7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.346 -10.355 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.298 -9.394 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.912 -9.758 -7.216 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.107 -8.613 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.747 -9.473 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.940 -8.329 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.117 -8.435 -2.251 1.00 0.00 H new ATOM 972 N THR A 63 -13.888 -8.947 -9.845 1.00 0.00 N ATOM 973 CA THR A 63 -12.676 -9.078 -10.650 1.00 0.00 C ATOM 974 C THR A 63 -12.223 -7.726 -11.214 1.00 0.00 C ATOM 975 O THR A 63 -11.069 -7.340 -11.032 1.00 0.00 O ATOM 976 CB THR A 63 -12.862 -10.085 -11.805 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.328 -11.337 -11.292 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.555 -10.298 -12.555 1.00 0.00 C ATOM 0 H THR A 63 -14.728 -9.331 -10.278 1.00 0.00 H new ATOM 0 HA THR A 63 -11.902 -9.455 -9.982 1.00 0.00 H new ATOM 0 HB THR A 63 -13.599 -9.677 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.445 -11.970 -12.031 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.712 -11.012 -13.364 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.214 -9.349 -12.969 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.801 -10.686 -11.870 1.00 0.00 H new ATOM 986 N PRO A 64 -13.114 -6.979 -11.903 1.00 0.00 N ATOM 987 CA PRO A 64 -12.763 -5.671 -12.467 1.00 0.00 C ATOM 988 C PRO A 64 -12.489 -4.628 -11.389 1.00 0.00 C ATOM 989 O PRO A 64 -11.549 -3.841 -11.503 1.00 0.00 O ATOM 990 CB PRO A 64 -13.997 -5.280 -13.286 1.00 0.00 C ATOM 991 CG PRO A 64 -15.115 -6.055 -12.683 1.00 0.00 C ATOM 992 CD PRO A 64 -14.512 -7.346 -12.206 1.00 0.00 C ATOM 0 HA PRO A 64 -11.847 -5.721 -13.056 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.184 -4.208 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.867 -5.528 -14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.569 -5.507 -11.857 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.902 -6.238 -13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.027 -7.729 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.567 -8.122 -12.970 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.312 -4.625 -10.340 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.147 -3.672 -9.247 1.00 0.00 C ATOM 1002 C ILE A 65 -11.772 -3.807 -8.598 1.00 0.00 C ATOM 1003 O ILE A 65 -11.077 -2.813 -8.382 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.235 -3.852 -8.168 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.619 -3.568 -8.758 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.964 -2.938 -6.980 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.757 -3.864 -7.803 1.00 0.00 C ATOM 0 H ILE A 65 -14.095 -5.269 -10.226 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.243 -2.677 -9.682 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.211 -4.884 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.670 -2.521 -9.057 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.749 -4.164 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.741 -3.078 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.993 -3.181 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.963 -1.900 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.707 -3.640 -8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.732 -4.917 -7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.652 -3.249 -6.910 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.387 -5.041 -8.289 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.097 -5.305 -7.663 1.00 0.00 C ATOM 1021 C PHE A 66 -8.949 -4.856 -8.563 1.00 0.00 C ATOM 1022 O PHE A 66 -7.986 -4.248 -8.098 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.961 -6.794 -7.341 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.754 -7.124 -6.509 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.757 -6.903 -5.141 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.618 -7.661 -7.095 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.649 -7.207 -4.373 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.508 -7.967 -6.332 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.524 -7.741 -4.969 1.00 0.00 C ATOM 0 H PHE A 66 -11.950 -5.874 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.047 -4.734 -6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.856 -7.126 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.913 -7.356 -8.274 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.636 -6.488 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.601 -7.842 -8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.663 -7.027 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.628 -8.383 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.658 -7.982 -4.371 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.059 -5.160 -9.854 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.027 -4.788 -10.818 1.00 0.00 C ATOM 1041 C ASN A 67 -7.866 -3.273 -10.892 1.00 0.00 C ATOM 1042 O ASN A 67 -6.755 -2.766 -11.055 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.365 -5.344 -12.204 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.396 -6.860 -12.230 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.696 -7.522 -11.464 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.212 -7.420 -13.117 1.00 0.00 N ATOM 0 H ASN A 67 -9.851 -5.662 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.084 -5.219 -10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.334 -4.959 -12.520 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.629 -4.986 -12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.275 -8.436 -13.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.775 -6.834 -13.733 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.978 -2.555 -10.774 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.956 -1.097 -10.828 1.00 0.00 C ATOM 1055 C GLU A 68 -8.223 -0.522 -9.621 1.00 0.00 C ATOM 1056 O GLU A 68 -7.554 0.505 -9.720 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.380 -0.542 -10.885 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.440 0.970 -11.040 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.729 1.457 -12.288 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.325 1.374 -13.382 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.575 1.919 -12.171 1.00 0.00 O ATOM 0 H GLU A 68 -9.905 -2.958 -10.640 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.424 -0.801 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.908 -1.005 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.908 -0.827 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.482 1.287 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.992 1.439 -10.164 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.359 -1.192 -8.481 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.708 -0.752 -7.252 1.00 0.00 C ATOM 1070 C TYR A 69 -6.195 -0.931 -7.352 1.00 0.00 C ATOM 1071 O TYR A 69 -5.424 -0.109 -6.851 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.254 -1.542 -6.060 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.826 -0.989 -4.721 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.538 0.037 -4.115 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.714 -1.495 -4.063 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.152 0.547 -2.890 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.321 -0.992 -2.837 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.042 0.029 -2.256 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.653 0.532 -1.036 1.00 0.00 O ATOM 0 H TYR A 69 -8.914 -2.042 -8.383 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.921 0.307 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.343 -1.551 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.923 -2.578 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.408 0.443 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.147 -2.295 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.716 1.346 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.454 -1.397 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.854 0.057 -0.726 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.781 -2.012 -8.003 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.365 -2.312 -8.179 1.00 0.00 C ATOM 1091 C ILE A 70 -3.730 -1.393 -9.221 1.00 0.00 C ATOM 1092 O ILE A 70 -2.540 -1.094 -9.156 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.156 -3.783 -8.598 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.792 -4.727 -7.571 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.674 -4.090 -8.764 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.205 -4.606 -6.179 1.00 0.00 C ATOM 0 H ILE A 70 -6.410 -2.699 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.880 -2.144 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.645 -3.940 -9.560 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.862 -4.527 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.676 -5.754 -7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.549 -5.132 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.252 -3.442 -9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.158 -3.916 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.707 -5.305 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.140 -4.836 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.345 -3.589 -5.812 1.00 0.00 H new ATOM 1108 N SER A 71 -4.529 -0.952 -10.186 1.00 0.00 N ATOM 1109 CA SER A 71 -4.034 -0.076 -11.242 1.00 0.00 C ATOM 1110 C SER A 71 -4.100 1.393 -10.827 1.00 0.00 C ATOM 1111 O SER A 71 -3.314 2.212 -11.298 1.00 0.00 O ATOM 1112 CB SER A 71 -4.839 -0.287 -12.526 1.00 0.00 C ATOM 1113 OG SER A 71 -4.363 0.545 -13.570 1.00 0.00 O ATOM 0 H SER A 71 -5.519 -1.186 -10.259 1.00 0.00 H new ATOM 0 HA SER A 71 -2.990 -0.332 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.775 -1.331 -12.831 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.891 -0.074 -12.338 1.00 0.00 H new ATOM 0 HG SER A 71 -4.893 0.390 -14.380 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.053 1.725 -9.962 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.216 3.101 -9.503 1.00 0.00 C ATOM 1121 C LEU A 72 -4.400 3.394 -8.242 1.00 0.00 C ATOM 1122 O LEU A 72 -3.500 4.233 -8.257 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.703 3.396 -9.252 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.057 4.843 -8.869 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.878 5.071 -7.375 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.222 5.839 -9.665 1.00 0.00 C ATOM 0 H LEU A 72 -5.721 1.064 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.839 3.755 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.260 3.135 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.053 2.737 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.106 5.004 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.135 6.102 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.530 4.394 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.841 4.881 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.492 6.854 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.164 5.673 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.411 5.703 -10.730 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.716 2.690 -7.158 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.045 2.904 -5.874 1.00 0.00 C ATOM 1140 C VAL A 73 -2.617 2.360 -5.842 1.00 0.00 C ATOM 1141 O VAL A 73 -1.669 3.118 -5.634 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.843 2.276 -4.716 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.164 2.553 -3.383 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.271 2.800 -4.713 1.00 0.00 C ATOM 0 H VAL A 73 -5.433 1.965 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.995 3.986 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.873 1.196 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.744 2.101 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.160 2.128 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.101 3.629 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.823 2.347 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.261 3.883 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.754 2.545 -5.656 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.465 1.052 -6.033 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.141 0.431 -5.996 1.00 0.00 C ATOM 1156 C GLU A 74 -0.166 1.150 -6.924 1.00 0.00 C ATOM 1157 O GLU A 74 1.003 1.338 -6.583 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.227 -1.052 -6.364 1.00 0.00 C ATOM 1159 CG GLU A 74 0.090 -1.795 -6.202 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.015 -3.258 -6.587 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.435 -4.067 -5.733 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.322 -3.594 -7.741 1.00 0.00 O ATOM 0 H GLU A 74 -3.233 0.406 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.765 0.517 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.983 -1.529 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.562 -1.143 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.852 -1.315 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.421 -1.718 -5.166 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.650 1.556 -8.094 1.00 0.00 N ATOM 1170 CA LYS A 75 0.192 2.258 -9.058 1.00 0.00 C ATOM 1171 C LYS A 75 0.444 3.693 -8.610 1.00 0.00 C ATOM 1172 O LYS A 75 1.474 4.280 -8.938 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.448 2.248 -10.446 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.594 0.856 -11.043 1.00 0.00 C ATOM 1175 CD LYS A 75 0.756 0.188 -11.265 1.00 0.00 C ATOM 1176 CE LYS A 75 1.566 0.897 -12.339 1.00 0.00 C ATOM 1177 NZ LYS A 75 2.883 0.238 -12.566 1.00 0.00 N ATOM 0 H LYS A 75 -1.614 1.413 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 75 1.147 1.736 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.432 2.713 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.153 2.860 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.200 0.238 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.127 0.922 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.317 0.183 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.604 -0.853 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.001 0.910 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.725 1.935 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.405 0.751 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.433 0.248 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.732 -0.745 -12.868 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.504 4.258 -7.865 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.369 5.623 -7.369 1.00 0.00 C ATOM 1193 C TYR A 76 0.901 5.760 -6.536 1.00 0.00 C ATOM 1194 O TYR A 76 1.698 6.674 -6.743 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.590 6.010 -6.530 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.606 7.462 -6.106 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.007 7.868 -4.920 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -2.222 8.428 -6.892 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.022 9.193 -4.529 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -2.240 9.755 -6.509 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.639 10.133 -5.327 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.655 11.453 -4.941 1.00 0.00 O ATOM 0 H TYR A 76 -1.370 3.793 -7.593 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.304 6.296 -8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.494 5.799 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.621 5.381 -5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.521 7.135 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.695 8.136 -7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.553 9.491 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.723 10.493 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.924 12.012 -5.699 1.00 0.00 H new ATOM 1212 N ILE A 77 1.082 4.838 -5.594 1.00 0.00 N ATOM 1213 CA ILE A 77 2.258 4.848 -4.730 1.00 0.00 C ATOM 1214 C ILE A 77 3.518 4.511 -5.520 1.00 0.00 C ATOM 1215 O ILE A 77 4.569 5.121 -5.322 1.00 0.00 O ATOM 1216 CB ILE A 77 2.111 3.845 -3.565 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.855 4.157 -2.747 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.351 3.876 -2.681 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.557 3.128 -1.675 1.00 0.00 C ATOM 0 H ILE A 77 0.430 4.076 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 77 2.344 5.855 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 77 2.009 2.842 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.970 5.134 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.001 4.225 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.233 3.164 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.226 3.608 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.482 4.878 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.346 3.415 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.409 2.152 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.394 3.076 -0.978 1.00 0.00 H new ATOM 1231 N GLU A 78 3.403 3.534 -6.415 1.00 0.00 N ATOM 1232 CA GLU A 78 4.532 3.110 -7.237 1.00 0.00 C ATOM 1233 C GLU A 78 5.132 4.285 -8.007 1.00 0.00 C ATOM 1234 O GLU A 78 6.343 4.505 -7.973 1.00 0.00 O ATOM 1235 CB GLU A 78 4.089 2.018 -8.216 1.00 0.00 C ATOM 1236 CG GLU A 78 5.172 1.604 -9.200 1.00 0.00 C ATOM 1237 CD GLU A 78 6.370 0.972 -8.521 1.00 0.00 C ATOM 1238 OE1 GLU A 78 7.213 1.721 -7.984 1.00 0.00 O ATOM 1239 OE2 GLU A 78 6.467 -0.273 -8.529 1.00 0.00 O ATOM 0 H GLU A 78 2.539 3.021 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 78 5.299 2.713 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.770 1.142 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.221 2.371 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.754 0.899 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.498 2.478 -9.763 1.00 0.00 H new ATOM 1246 N GLU A 79 4.278 5.037 -8.693 1.00 0.00 N ATOM 1247 CA GLU A 79 4.725 6.184 -9.481 1.00 0.00 C ATOM 1248 C GLU A 79 5.390 7.240 -8.605 1.00 0.00 C ATOM 1249 O GLU A 79 6.466 7.740 -8.933 1.00 0.00 O ATOM 1250 CB GLU A 79 3.542 6.804 -10.227 1.00 0.00 C ATOM 1251 CG GLU A 79 2.929 5.883 -11.270 1.00 0.00 C ATOM 1252 CD GLU A 79 1.729 6.503 -11.960 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.930 7.257 -12.936 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.590 6.235 -11.524 1.00 0.00 O ATOM 0 H GLU A 79 3.271 4.874 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 79 5.462 5.825 -10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.774 7.083 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.871 7.722 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.683 5.632 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.628 4.950 -10.794 1.00 0.00 H new ATOM 1261 N GLN A 80 4.748 7.572 -7.489 1.00 0.00 N ATOM 1262 CA GLN A 80 5.276 8.579 -6.573 1.00 0.00 C ATOM 1263 C GLN A 80 6.665 8.198 -6.068 1.00 0.00 C ATOM 1264 O GLN A 80 7.489 9.066 -5.778 1.00 0.00 O ATOM 1265 CB GLN A 80 4.324 8.773 -5.392 1.00 0.00 C ATOM 1266 CG GLN A 80 2.983 9.367 -5.788 1.00 0.00 C ATOM 1267 CD GLN A 80 3.113 10.759 -6.375 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.063 11.756 -5.655 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.287 10.831 -7.690 1.00 0.00 N ATOM 0 H GLN A 80 3.862 7.159 -7.197 1.00 0.00 H new ATOM 0 HA GLN A 80 5.361 9.517 -7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.158 7.811 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.798 9.423 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.501 8.714 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.334 9.405 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.322 9.977 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.386 11.740 -8.142 1.00 0.00 H new ATOM 1278 N LEU A 81 6.921 6.898 -5.966 1.00 0.00 N ATOM 1279 CA LEU A 81 8.213 6.409 -5.499 1.00 0.00 C ATOM 1280 C LEU A 81 9.267 6.508 -6.597 1.00 0.00 C ATOM 1281 O LEU A 81 10.420 6.846 -6.335 1.00 0.00 O ATOM 1282 CB LEU A 81 8.092 4.959 -5.023 1.00 0.00 C ATOM 1283 CG LEU A 81 7.299 4.764 -3.728 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.080 3.284 -3.458 1.00 0.00 C ATOM 1285 CD2 LEU A 81 8.022 5.416 -2.558 1.00 0.00 C ATOM 0 H LEU A 81 6.252 6.165 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 81 8.527 7.035 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.620 4.372 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.094 4.555 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 81 6.326 5.243 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.515 3.162 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.524 2.842 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.044 2.785 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.445 5.268 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.007 4.964 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.133 6.484 -2.748 1.00 0.00 H new ATOM 1297 N LEU A 82 8.861 6.212 -7.827 1.00 0.00 N ATOM 1298 CA LEU A 82 9.769 6.265 -8.967 1.00 0.00 C ATOM 1299 C LEU A 82 10.215 7.696 -9.255 1.00 0.00 C ATOM 1300 O LEU A 82 11.265 7.918 -9.858 1.00 0.00 O ATOM 1301 CB LEU A 82 9.095 5.668 -10.205 1.00 0.00 C ATOM 1302 CG LEU A 82 8.727 4.185 -10.090 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.945 3.734 -11.312 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.977 3.336 -9.913 1.00 0.00 C ATOM 0 H LEU A 82 7.908 5.933 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 82 10.654 5.678 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.189 6.236 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.759 5.797 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 82 8.096 4.055 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.692 2.678 -11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.030 4.320 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.551 3.880 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.695 2.286 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.633 3.471 -10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.499 3.642 -9.006 1.00 0.00 H new ATOM 1316 N GLN A 83 9.412 8.662 -8.820 1.00 0.00 N ATOM 1317 CA GLN A 83 9.720 10.073 -9.035 1.00 0.00 C ATOM 1318 C GLN A 83 11.037 10.467 -8.369 1.00 0.00 C ATOM 1319 O GLN A 83 11.629 11.493 -8.708 1.00 0.00 O ATOM 1320 CB GLN A 83 8.588 10.951 -8.501 1.00 0.00 C ATOM 1321 CG GLN A 83 7.312 10.862 -9.322 1.00 0.00 C ATOM 1322 CD GLN A 83 6.209 11.758 -8.792 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.381 12.258 -9.555 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.186 11.964 -7.479 1.00 0.00 N ATOM 0 H GLN A 83 8.542 8.494 -8.316 1.00 0.00 H new ATOM 0 HA GLN A 83 9.823 10.227 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.370 10.663 -7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.924 11.988 -8.477 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.530 11.134 -10.355 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.962 9.830 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.891 11.531 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.464 12.555 -7.068 1.00 0.00 H new ATOM 1333 N ARG A 84 11.490 9.655 -7.420 1.00 0.00 N ATOM 1334 CA ARG A 84 12.735 9.932 -6.710 1.00 0.00 C ATOM 1335 C ARG A 84 13.714 8.772 -6.845 1.00 0.00 C ATOM 1336 O ARG A 84 14.930 8.963 -6.792 1.00 0.00 O ATOM 1337 CB ARG A 84 12.448 10.215 -5.234 1.00 0.00 C ATOM 1338 CG ARG A 84 11.584 11.445 -5.014 1.00 0.00 C ATOM 1339 CD ARG A 84 11.251 11.644 -3.544 1.00 0.00 C ATOM 1340 NE ARG A 84 10.461 12.852 -3.325 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.418 12.914 -2.502 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.038 11.839 -1.825 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.753 14.052 -2.360 1.00 0.00 N ATOM 0 H ARG A 84 11.016 8.802 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 84 13.193 10.814 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.953 9.349 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.393 10.344 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.103 12.326 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.661 11.348 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.701 10.778 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.174 11.704 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 84 10.724 13.697 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.546 10.961 -1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.238 11.890 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.041 14.880 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.953 14.100 -1.729 1.00 0.00 H new ATOM 1357 N ILE A 85 13.179 7.568 -7.022 1.00 0.00 N ATOM 1358 CA ILE A 85 14.007 6.378 -7.171 1.00 0.00 C ATOM 1359 C ILE A 85 13.610 5.594 -8.424 1.00 0.00 C ATOM 1360 O ILE A 85 12.741 4.724 -8.367 1.00 0.00 O ATOM 1361 CB ILE A 85 13.903 5.447 -5.941 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.208 6.215 -4.651 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.853 4.267 -6.091 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.003 6.916 -4.059 1.00 0.00 C ATOM 0 H ILE A 85 12.175 7.391 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 85 15.038 6.721 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 85 12.882 5.070 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.613 5.522 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.984 6.954 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.770 3.620 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.594 3.703 -6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.876 4.632 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.297 7.438 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.610 7.635 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.234 6.181 -3.824 1.00 0.00 H new ATOM 1376 N PRO A 86 14.237 5.897 -9.578 1.00 0.00 N ATOM 1377 CA PRO A 86 13.935 5.213 -10.841 1.00 0.00 C ATOM 1378 C PRO A 86 14.387 3.759 -10.837 1.00 0.00 C ATOM 1379 O PRO A 86 14.121 3.011 -11.778 1.00 0.00 O ATOM 1380 CB PRO A 86 14.725 6.014 -11.879 1.00 0.00 C ATOM 1381 CG PRO A 86 15.844 6.625 -11.109 1.00 0.00 C ATOM 1382 CD PRO A 86 15.285 6.924 -9.746 1.00 0.00 C ATOM 0 HA PRO A 86 12.863 5.177 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.097 5.371 -12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.104 6.777 -12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.692 5.943 -11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.202 7.534 -11.593 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.049 6.850 -8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.873 7.932 -9.692 1.00 0.00 H new ATOM 1390 N GLU A 87 15.068 3.366 -9.768 1.00 0.00 N ATOM 1391 CA GLU A 87 15.565 2.001 -9.634 1.00 0.00 C ATOM 1392 C GLU A 87 14.853 1.270 -8.500 1.00 0.00 C ATOM 1393 O GLU A 87 15.321 0.234 -8.026 1.00 0.00 O ATOM 1394 CB GLU A 87 17.074 2.011 -9.386 1.00 0.00 C ATOM 1395 CG GLU A 87 17.878 2.545 -10.562 1.00 0.00 C ATOM 1396 CD GLU A 87 19.375 2.476 -10.327 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.982 1.439 -10.668 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.941 3.460 -9.805 1.00 0.00 O ATOM 0 H GLU A 87 15.290 3.974 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 87 15.360 1.472 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.286 2.618 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.404 0.997 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.628 1.975 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.592 3.579 -10.753 1.00 0.00 H new ATOM 1405 N PHE A 88 13.716 1.811 -8.072 1.00 0.00 N ATOM 1406 CA PHE A 88 12.942 1.210 -6.990 1.00 0.00 C ATOM 1407 C PHE A 88 12.222 -0.048 -7.465 1.00 0.00 C ATOM 1408 O PHE A 88 11.823 -0.150 -8.625 1.00 0.00 O ATOM 1409 CB PHE A 88 11.928 2.214 -6.439 1.00 0.00 C ATOM 1410 CG PHE A 88 11.188 1.713 -5.232 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.729 1.852 -3.964 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.951 1.101 -5.365 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.052 1.390 -2.852 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.269 0.638 -4.256 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.821 0.782 -2.998 1.00 0.00 C ATOM 0 H PHE A 88 13.310 2.664 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 88 13.635 0.931 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.446 3.138 -6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.209 2.459 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.691 2.327 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.516 0.985 -6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.485 1.504 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.306 0.164 -4.373 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.290 0.420 -2.130 1.00 0.00 H new ATOM 1425 N ASN A 89 12.060 -1.005 -6.555 1.00 0.00 N ATOM 1426 CA ASN A 89 11.385 -2.259 -6.869 1.00 0.00 C ATOM 1427 C ASN A 89 10.296 -2.554 -5.840 1.00 0.00 C ATOM 1428 O ASN A 89 10.574 -3.058 -4.753 1.00 0.00 O ATOM 1429 CB ASN A 89 12.392 -3.409 -6.915 1.00 0.00 C ATOM 1430 CG ASN A 89 11.800 -4.682 -7.488 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.602 -4.936 -7.366 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.642 -5.492 -8.120 1.00 0.00 N ATOM 0 H ASN A 89 12.388 -0.935 -5.592 1.00 0.00 H new ATOM 0 HA ASN A 89 10.919 -2.162 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.251 -3.110 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.760 -3.605 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.303 -6.363 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.628 -5.243 -8.198 1.00 0.00 H new ATOM 1439 N MET A 90 9.057 -2.231 -6.195 1.00 0.00 N ATOM 1440 CA MET A 90 7.917 -2.445 -5.309 1.00 0.00 C ATOM 1441 C MET A 90 7.696 -3.930 -5.031 1.00 0.00 C ATOM 1442 O MET A 90 7.213 -4.305 -3.963 1.00 0.00 O ATOM 1443 CB MET A 90 6.655 -1.843 -5.928 1.00 0.00 C ATOM 1444 CG MET A 90 5.475 -1.776 -4.974 1.00 0.00 C ATOM 1445 SD MET A 90 5.748 -0.622 -3.615 1.00 0.00 S ATOM 1446 CE MET A 90 4.091 -0.484 -2.951 1.00 0.00 C ATOM 0 H MET A 90 8.815 -1.818 -7.096 1.00 0.00 H new ATOM 0 HA MET A 90 8.133 -1.951 -4.361 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.880 -0.837 -6.283 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.372 -2.433 -6.800 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.583 -1.478 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.283 -2.770 -4.569 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.095 0.198 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.421 -0.100 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.746 -1.466 -2.626 1.00 0.00 H new ATOM 1456 N ALA A 91 8.054 -4.771 -5.996 1.00 0.00 N ATOM 1457 CA ALA A 91 7.883 -6.214 -5.857 1.00 0.00 C ATOM 1458 C ALA A 91 8.746 -6.777 -4.731 1.00 0.00 C ATOM 1459 O ALA A 91 8.233 -7.388 -3.793 1.00 0.00 O ATOM 1460 CB ALA A 91 8.207 -6.911 -7.168 1.00 0.00 C ATOM 0 H ALA A 91 8.464 -4.479 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 91 6.840 -6.401 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.075 -7.987 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.539 -6.547 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.239 -6.700 -7.447 1.00 0.00 H new ATOM 1466 N ALA A 92 10.055 -6.569 -4.829 1.00 0.00 N ATOM 1467 CA ALA A 92 10.986 -7.066 -3.820 1.00 0.00 C ATOM 1468 C ALA A 92 10.827 -6.320 -2.501 1.00 0.00 C ATOM 1469 O ALA A 92 11.099 -6.868 -1.432 1.00 0.00 O ATOM 1470 CB ALA A 92 12.417 -6.954 -4.321 1.00 0.00 C ATOM 0 H ALA A 92 10.496 -6.060 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 92 10.754 -8.116 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.100 -7.328 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.531 -7.543 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.647 -5.910 -4.534 1.00 0.00 H new ATOM 1476 N PHE A 93 10.386 -5.070 -2.581 1.00 0.00 N ATOM 1477 CA PHE A 93 10.192 -4.251 -1.389 1.00 0.00 C ATOM 1478 C PHE A 93 9.121 -4.853 -0.486 1.00 0.00 C ATOM 1479 O PHE A 93 9.334 -5.023 0.715 1.00 0.00 O ATOM 1480 CB PHE A 93 9.808 -2.823 -1.784 1.00 0.00 C ATOM 1481 CG PHE A 93 9.596 -1.909 -0.610 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.666 -1.504 0.172 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.327 -1.456 -0.290 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.474 -0.662 1.251 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.128 -0.615 0.788 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.203 -0.218 1.559 1.00 0.00 C ATOM 0 H PHE A 93 10.156 -4.601 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 93 11.131 -4.225 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.590 -2.408 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.896 -2.853 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.661 -1.850 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.483 -1.764 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.316 -0.352 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.133 -0.269 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.050 0.439 2.402 1.00 0.00 H new ATOM 1496 N THR A 94 7.970 -5.178 -1.070 1.00 0.00 N ATOM 1497 CA THR A 94 6.867 -5.762 -0.315 1.00 0.00 C ATOM 1498 C THR A 94 7.226 -7.151 0.199 1.00 0.00 C ATOM 1499 O THR A 94 6.857 -7.524 1.314 1.00 0.00 O ATOM 1500 CB THR A 94 5.591 -5.858 -1.170 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.849 -6.624 -2.352 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.092 -4.473 -1.553 1.00 0.00 C ATOM 0 H THR A 94 7.778 -5.046 -2.063 1.00 0.00 H new ATOM 0 HA THR A 94 6.680 -5.102 0.532 1.00 0.00 H new ATOM 0 HB THR A 94 4.820 -6.354 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.814 -6.654 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.189 -4.566 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.868 -3.905 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.861 -3.955 -2.126 1.00 0.00 H new ATOM 1510 N THR A 95 7.943 -7.914 -0.620 1.00 0.00 N ATOM 1511 CA THR A 95 8.353 -9.263 -0.248 1.00 0.00 C ATOM 1512 C THR A 95 9.179 -9.245 1.034 1.00 0.00 C ATOM 1513 O THR A 95 8.984 -10.071 1.923 1.00 0.00 O ATOM 1514 CB THR A 95 9.172 -9.931 -1.368 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.420 -9.935 -2.587 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.544 -11.359 -0.995 1.00 0.00 C ATOM 0 H THR A 95 8.252 -7.620 -1.547 1.00 0.00 H new ATOM 0 HA THR A 95 7.443 -9.841 -0.085 1.00 0.00 H new ATOM 0 HB THR A 95 10.089 -9.358 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.389 -9.027 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.122 -11.807 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.140 -11.353 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.637 -11.941 -0.832 1.00 0.00 H new ATOM 1524 N THR A 96 10.111 -8.303 1.115 1.00 0.00 N ATOM 1525 CA THR A 96 10.966 -8.166 2.288 1.00 0.00 C ATOM 1526 C THR A 96 10.222 -7.481 3.435 1.00 0.00 C ATOM 1527 O THR A 96 10.503 -7.729 4.608 1.00 0.00 O ATOM 1528 CB THR A 96 12.239 -7.360 1.955 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.953 -7.996 0.889 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.145 -7.237 3.171 1.00 0.00 C ATOM 0 H THR A 96 10.294 -7.620 0.380 1.00 0.00 H new ATOM 0 HA THR A 96 11.251 -9.171 2.598 1.00 0.00 H new ATOM 0 HB THR A 96 11.935 -6.359 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.530 -7.774 0.034 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.034 -6.664 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.611 -6.728 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.441 -8.231 3.506 1.00 0.00 H new ATOM 1538 N LEU A 97 9.268 -6.623 3.083 1.00 0.00 N ATOM 1539 CA LEU A 97 8.490 -5.878 4.071 1.00 0.00 C ATOM 1540 C LEU A 97 7.682 -6.803 4.984 1.00 0.00 C ATOM 1541 O LEU A 97 7.573 -6.551 6.184 1.00 0.00 O ATOM 1542 CB LEU A 97 7.549 -4.897 3.366 1.00 0.00 C ATOM 1543 CG LEU A 97 7.464 -3.504 3.996 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.542 -2.608 3.183 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.983 -3.590 5.438 1.00 0.00 C ATOM 0 H LEU A 97 9.014 -6.425 2.115 1.00 0.00 H new ATOM 0 HA LEU A 97 9.196 -5.330 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.872 -4.790 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.549 -5.330 3.345 1.00 0.00 H new ATOM 0 HG LEU A 97 8.463 -3.069 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.493 -1.622 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.928 -2.515 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.544 -3.045 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.931 -2.588 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.994 -4.048 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.679 -4.195 6.018 1.00 0.00 H new ATOM 1557 N GLN A 98 7.115 -7.866 4.415 1.00 0.00 N ATOM 1558 CA GLN A 98 6.306 -8.806 5.192 1.00 0.00 C ATOM 1559 C GLN A 98 7.058 -9.294 6.426 1.00 0.00 C ATOM 1560 O GLN A 98 6.459 -9.535 7.473 1.00 0.00 O ATOM 1561 CB GLN A 98 5.877 -9.997 4.330 1.00 0.00 C ATOM 1562 CG GLN A 98 7.000 -10.975 4.029 1.00 0.00 C ATOM 1563 CD GLN A 98 6.584 -12.064 3.060 1.00 0.00 C ATOM 1564 OE1 GLN A 98 6.715 -11.914 1.845 1.00 0.00 O ATOM 1565 NE2 GLN A 98 6.077 -13.169 3.594 1.00 0.00 N ATOM 0 H GLN A 98 7.200 -8.098 3.425 1.00 0.00 H new ATOM 0 HA GLN A 98 5.414 -8.275 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.072 -10.529 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.471 -9.625 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.849 -10.431 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.337 -11.432 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.986 -13.251 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.778 -13.936 2.992 1.00 0.00 H new ATOM 1574 N HIS A 99 8.371 -9.441 6.296 1.00 0.00 N ATOM 1575 CA HIS A 99 9.198 -9.891 7.408 1.00 0.00 C ATOM 1576 C HIS A 99 9.528 -8.718 8.322 1.00 0.00 C ATOM 1577 O HIS A 99 9.461 -8.826 9.550 1.00 0.00 O ATOM 1578 CB HIS A 99 10.487 -10.529 6.889 1.00 0.00 C ATOM 1579 CG HIS A 99 10.254 -11.712 6.001 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.826 -12.934 6.473 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.391 -11.854 4.662 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.708 -13.777 5.461 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.046 -13.146 4.352 1.00 0.00 N ATOM 0 H HIS A 99 8.884 -9.256 5.434 1.00 0.00 H new ATOM 0 HA HIS A 99 8.643 -10.638 7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.058 -9.780 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.098 -10.837 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.712 -11.092 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.389 -14.807 5.530 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.050 -13.552 3.416 1.00 0.00 H new ATOM 1592 N HIS A 100 9.859 -7.586 7.710 1.00 0.00 N ATOM 1593 CA HIS A 100 10.202 -6.386 8.459 1.00 0.00 C ATOM 1594 C HIS A 100 8.971 -5.801 9.138 1.00 0.00 C ATOM 1595 O HIS A 100 9.057 -4.789 9.832 1.00 0.00 O ATOM 1596 CB HIS A 100 10.843 -5.347 7.539 1.00 0.00 C ATOM 1597 CG HIS A 100 12.303 -5.580 7.310 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.288 -4.801 7.881 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.947 -6.516 6.572 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.473 -5.246 7.503 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.294 -6.286 6.710 1.00 0.00 N ATOM 0 H HIS A 100 9.897 -7.476 6.697 1.00 0.00 H new ATOM 0 HA HIS A 100 10.921 -6.662 9.231 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.326 -5.354 6.579 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.704 -4.355 7.969 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.487 -7.297 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.426 -4.830 7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.036 -6.831 6.271 1.00 0.00 H new ATOM 1610 N LYS A 101 7.826 -6.445 8.929 1.00 0.00 N ATOM 1611 CA LYS A 101 6.580 -5.998 9.533 1.00 0.00 C ATOM 1612 C LYS A 101 6.675 -6.086 11.051 1.00 0.00 C ATOM 1613 O LYS A 101 5.893 -5.464 11.772 1.00 0.00 O ATOM 1614 CB LYS A 101 5.407 -6.840 9.023 1.00 0.00 C ATOM 1615 CG LYS A 101 4.054 -6.363 9.524 1.00 0.00 C ATOM 1616 CD LYS A 101 2.904 -7.089 8.838 1.00 0.00 C ATOM 1617 CE LYS A 101 2.860 -8.565 9.211 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.781 -9.381 8.374 1.00 0.00 N ATOM 0 H LYS A 101 7.738 -7.277 8.346 1.00 0.00 H new ATOM 0 HA LYS A 101 6.407 -4.959 9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.407 -6.826 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.554 -7.876 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.990 -6.519 10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.961 -5.291 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.961 -6.617 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.006 -6.991 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.127 -8.681 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.842 -8.937 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.255 -10.171 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.183 -8.788 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.549 -9.755 8.967 1.00 0.00 H new ATOM 1632 N ASP A 102 7.643 -6.863 11.530 1.00 0.00 N ATOM 1633 CA ASP A 102 7.851 -7.031 12.963 1.00 0.00 C ATOM 1634 C ASP A 102 8.538 -5.802 13.555 1.00 0.00 C ATOM 1635 O ASP A 102 8.707 -5.696 14.770 1.00 0.00 O ATOM 1636 CB ASP A 102 8.688 -8.284 13.231 1.00 0.00 C ATOM 1637 CG ASP A 102 8.937 -8.514 14.709 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.051 -9.084 15.380 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.020 -8.123 15.196 1.00 0.00 O ATOM 0 H ASP A 102 8.295 -7.386 10.945 1.00 0.00 H new ATOM 0 HA ASP A 102 6.879 -7.146 13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.179 -9.153 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.644 -8.195 12.715 1.00 0.00 H new ATOM 1644 N GLU A 103 8.924 -4.873 12.685 1.00 0.00 N ATOM 1645 CA GLU A 103 9.599 -3.650 13.113 1.00 0.00 C ATOM 1646 C GLU A 103 8.806 -2.412 12.699 1.00 0.00 C ATOM 1647 O GLU A 103 8.395 -1.617 13.546 1.00 0.00 O ATOM 1648 CB GLU A 103 11.006 -3.587 12.517 1.00 0.00 C ATOM 1649 CG GLU A 103 11.889 -4.759 12.914 1.00 0.00 C ATOM 1650 CD GLU A 103 12.185 -4.790 14.401 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.364 -5.348 15.158 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.239 -4.256 14.807 1.00 0.00 O ATOM 0 H GLU A 103 8.781 -4.943 11.678 1.00 0.00 H new ATOM 0 HA GLU A 103 9.669 -3.667 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.930 -3.552 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.484 -2.660 12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.402 -5.690 12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.827 -4.705 12.362 1.00 0.00 H new ATOM 1659 N VAL A 104 8.600 -2.254 11.394 1.00 0.00 N ATOM 1660 CA VAL A 104 7.862 -1.113 10.863 1.00 0.00 C ATOM 1661 C VAL A 104 6.477 -1.009 11.494 1.00 0.00 C ATOM 1662 O VAL A 104 5.889 -2.015 11.891 1.00 0.00 O ATOM 1663 CB VAL A 104 7.714 -1.205 9.329 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.976 -2.473 8.937 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.003 0.021 8.776 1.00 0.00 C ATOM 0 H VAL A 104 8.935 -2.904 10.683 1.00 0.00 H new ATOM 0 HA VAL A 104 8.436 -0.221 11.112 1.00 0.00 H new ATOM 0 HB VAL A 104 8.713 -1.241 8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.882 -2.519 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.532 -3.342 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.983 -2.470 9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.912 -0.069 7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.010 0.096 9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.577 0.915 9.019 1.00 0.00 H new ATOM 1675 N ALA A 105 5.965 0.216 11.585 1.00 0.00 N ATOM 1676 CA ALA A 105 4.648 0.454 12.162 1.00 0.00 C ATOM 1677 C ALA A 105 3.588 -0.390 11.463 1.00 0.00 C ATOM 1678 O ALA A 105 3.217 -0.118 10.321 1.00 0.00 O ATOM 1679 CB ALA A 105 4.292 1.932 12.073 1.00 0.00 C ATOM 0 H ALA A 105 6.444 1.058 11.266 1.00 0.00 H new ATOM 0 HA ALA A 105 4.677 0.162 13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.306 2.096 12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.031 2.518 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.284 2.242 11.028 1.00 0.00 H new ATOM 1685 N GLY A 106 3.106 -1.414 12.158 1.00 0.00 N ATOM 1686 CA GLY A 106 2.097 -2.288 11.590 1.00 0.00 C ATOM 1687 C GLY A 106 0.778 -1.579 11.355 1.00 0.00 C ATOM 1688 O GLY A 106 0.038 -1.923 10.437 1.00 0.00 O ATOM 0 H GLY A 106 3.396 -1.655 13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.461 -2.692 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.937 -3.134 12.258 1.00 0.00 H new ATOM 1692 N ASP A 107 0.486 -0.588 12.191 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.756 0.170 12.080 1.00 0.00 C ATOM 1694 C ASP A 107 -0.878 0.848 10.715 1.00 0.00 C ATOM 1695 O ASP A 107 -1.917 0.759 10.062 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.832 1.220 13.189 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.814 0.601 14.572 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.291 0.417 15.126 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.904 0.298 15.101 1.00 0.00 O ATOM 0 H ASP A 107 1.094 -0.290 12.954 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.584 -0.531 12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.007 1.909 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.743 1.807 13.068 1.00 0.00 H new ATOM 1704 N ILE A 108 0.186 1.524 10.292 1.00 0.00 N ATOM 1705 CA ILE A 108 0.185 2.221 9.009 1.00 0.00 C ATOM 1706 C ILE A 108 0.198 1.240 7.839 1.00 0.00 C ATOM 1707 O ILE A 108 -0.605 1.357 6.912 1.00 0.00 O ATOM 1708 CB ILE A 108 1.396 3.168 8.883 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.442 4.131 10.071 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.328 3.938 7.572 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.708 4.959 10.131 1.00 0.00 C ATOM 0 H ILE A 108 1.057 1.604 10.816 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.734 2.806 8.973 1.00 0.00 H new ATOM 0 HB ILE A 108 2.309 2.573 8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.583 4.800 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.347 3.560 10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.188 4.603 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.336 3.237 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.411 4.527 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.671 5.618 10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.571 4.299 10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.795 5.557 9.224 1.00 0.00 H new ATOM 1723 N PHE A 109 1.108 0.272 7.889 1.00 0.00 N ATOM 1724 CA PHE A 109 1.224 -0.723 6.828 1.00 0.00 C ATOM 1725 C PHE A 109 -0.048 -1.561 6.715 1.00 0.00 C ATOM 1726 O PHE A 109 -0.377 -2.056 5.637 1.00 0.00 O ATOM 1727 CB PHE A 109 2.440 -1.629 7.058 1.00 0.00 C ATOM 1728 CG PHE A 109 2.659 -2.631 5.954 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.650 -2.231 4.624 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.869 -3.970 6.244 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.844 -3.147 3.607 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.064 -4.890 5.230 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.051 -4.479 3.910 1.00 0.00 C ATOM 0 H PHE A 109 1.775 0.155 8.652 1.00 0.00 H new ATOM 0 HA PHE A 109 1.364 -0.188 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.331 -1.009 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.314 -2.161 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.489 -1.191 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.880 -4.298 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.834 -2.822 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.227 -5.930 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.202 -5.197 3.118 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.755 -1.721 7.833 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.989 -2.503 7.857 1.00 0.00 C ATOM 1745 C ASP A 110 -2.925 -2.086 6.727 1.00 0.00 C ATOM 1746 O ASP A 110 -3.646 -2.914 6.171 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.698 -2.343 9.204 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.982 -3.146 9.281 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -5.042 -2.608 8.902 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.925 -4.314 9.721 1.00 0.00 O ATOM 0 H ASP A 110 -0.494 -1.319 8.733 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.723 -3.550 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.028 -2.657 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.921 -1.289 9.371 1.00 0.00 H new ATOM 1755 N MET A 111 -2.913 -0.800 6.395 1.00 0.00 N ATOM 1756 CA MET A 111 -3.752 -0.283 5.320 1.00 0.00 C ATOM 1757 C MET A 111 -3.210 -0.735 3.969 1.00 0.00 C ATOM 1758 O MET A 111 -3.965 -1.129 3.080 1.00 0.00 O ATOM 1759 CB MET A 111 -3.815 1.247 5.388 1.00 0.00 C ATOM 1760 CG MET A 111 -4.639 1.884 4.278 1.00 0.00 C ATOM 1761 SD MET A 111 -3.718 2.076 2.738 1.00 0.00 S ATOM 1762 CE MET A 111 -2.397 3.168 3.261 1.00 0.00 C ATOM 0 H MET A 111 -2.333 -0.097 6.854 1.00 0.00 H new ATOM 0 HA MET A 111 -4.761 -0.677 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.233 1.540 6.351 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.801 1.644 5.347 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.523 1.273 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.991 2.861 4.609 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.928 3.617 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.805 3.953 3.898 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.653 2.598 3.819 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.889 -0.677 3.831 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.222 -1.082 2.601 1.00 0.00 C ATOM 1774 C LEU A 112 -1.397 -2.577 2.350 1.00 0.00 C ATOM 1775 O LEU A 112 -1.300 -3.037 1.215 1.00 0.00 O ATOM 1776 CB LEU A 112 0.265 -0.728 2.666 1.00 0.00 C ATOM 1777 CG LEU A 112 0.577 0.770 2.659 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.054 1.009 2.928 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.172 1.392 1.331 1.00 0.00 C ATOM 0 H LEU A 112 -1.257 -0.351 4.562 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.680 -0.542 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.688 -1.167 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.770 -1.192 1.819 1.00 0.00 H new ATOM 0 HG LEU A 112 0.001 1.244 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.257 2.080 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.318 0.598 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.648 0.521 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.401 2.458 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.722 0.912 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.898 1.253 1.175 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.660 -3.328 3.417 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.845 -4.775 3.314 1.00 0.00 C ATOM 1793 C LEU A 113 -2.847 -5.123 2.218 1.00 0.00 C ATOM 1794 O LEU A 113 -2.796 -6.210 1.642 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.314 -5.358 4.651 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.241 -5.447 5.740 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.838 -5.988 7.031 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.084 -6.325 5.283 1.00 0.00 C ATOM 0 H LEU A 113 -1.750 -2.959 4.364 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.881 -5.214 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.138 -4.750 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.711 -6.357 4.473 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.859 -4.444 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.062 -6.045 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.633 -5.324 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.247 -6.983 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.668 -6.375 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.452 -7.328 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.361 -5.901 4.383 1.00 0.00 H new ATOM 1810 N THR A 114 -3.764 -4.198 1.943 1.00 0.00 N ATOM 1811 CA THR A 114 -4.781 -4.402 0.914 1.00 0.00 C ATOM 1812 C THR A 114 -4.159 -4.707 -0.452 1.00 0.00 C ATOM 1813 O THR A 114 -4.874 -4.968 -1.420 1.00 0.00 O ATOM 1814 CB THR A 114 -5.696 -3.170 0.782 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.919 -2.015 0.445 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.452 -2.916 2.076 1.00 0.00 C ATOM 0 H THR A 114 -3.824 -3.298 2.420 1.00 0.00 H new ATOM 0 HA THR A 114 -5.371 -5.262 1.231 1.00 0.00 H new ATOM 0 HB THR A 114 -6.418 -3.366 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.543 -1.624 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.091 -2.041 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.066 -3.784 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.742 -2.740 2.884 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.828 -4.673 -0.528 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.125 -4.954 -1.777 1.00 0.00 C ATOM 1826 C PHE A 115 -2.349 -6.400 -2.214 1.00 0.00 C ATOM 1827 O PHE A 115 -2.427 -6.691 -3.408 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.620 -4.695 -1.625 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.230 -3.239 -1.661 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.823 -2.366 -2.561 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.742 -2.748 -0.799 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.458 -1.034 -2.600 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.108 -1.416 -0.835 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.509 -0.559 -1.736 1.00 0.00 C ATOM 0 H PHE A 115 -2.218 -4.454 0.259 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.527 -4.286 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.283 -5.125 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.092 -5.220 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.579 -2.732 -3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.217 -3.414 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.928 -0.365 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.863 -1.045 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.796 0.482 -1.765 1.00 0.00 H new ATOM 1844 N THR A 116 -2.453 -7.303 -1.241 1.00 0.00 N ATOM 1845 CA THR A 116 -2.661 -8.718 -1.535 1.00 0.00 C ATOM 1846 C THR A 116 -3.653 -9.355 -0.564 1.00 0.00 C ATOM 1847 O THR A 116 -4.451 -10.208 -0.953 1.00 0.00 O ATOM 1848 CB THR A 116 -1.338 -9.504 -1.478 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.727 -9.345 -0.192 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.379 -9.035 -2.562 1.00 0.00 C ATOM 0 H THR A 116 -2.397 -7.081 -0.247 1.00 0.00 H new ATOM 0 HA THR A 116 -3.068 -8.766 -2.545 1.00 0.00 H new ATOM 0 HB THR A 116 -1.562 -10.557 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.113 -9.850 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.548 -9.606 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.834 -9.187 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.163 -7.976 -2.423 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.599 -8.940 0.697 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.490 -9.481 1.721 1.00 0.00 C ATOM 1860 C ASP A 117 -5.946 -9.123 1.428 1.00 0.00 C ATOM 1861 O ASP A 117 -6.440 -8.081 1.860 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.089 -8.960 3.102 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.660 -9.801 4.227 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.014 -10.800 4.607 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.752 -9.462 4.728 1.00 0.00 O ATOM 0 H ASP A 117 -2.949 -8.231 1.036 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.397 -10.567 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.002 -8.945 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.431 -7.931 3.212 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.626 -9.999 0.693 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.025 -9.784 0.333 1.00 0.00 C ATOM 1872 C PHE A 118 -8.902 -9.671 1.576 1.00 0.00 C ATOM 1873 O PHE A 118 -9.892 -8.940 1.583 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.527 -10.925 -0.555 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.950 -10.757 -1.012 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.239 -10.051 -2.169 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -10.997 -11.302 -0.284 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.546 -9.893 -2.592 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.305 -11.146 -0.703 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.579 -10.440 -1.858 1.00 0.00 C ATOM 0 H PHE A 118 -6.229 -10.867 0.334 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.088 -8.846 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.881 -11.003 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.439 -11.864 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.435 -9.620 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.788 -11.854 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.758 -9.342 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.112 -11.576 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.600 -10.316 -2.186 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.536 -10.401 2.625 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.295 -10.383 3.870 1.00 0.00 C ATOM 1892 C LEU A 119 -9.311 -8.985 4.480 1.00 0.00 C ATOM 1893 O LEU A 119 -10.313 -8.560 5.054 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.706 -11.381 4.869 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.479 -11.511 6.184 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.880 -12.045 5.929 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.729 -12.412 7.154 1.00 0.00 C ATOM 0 H LEU A 119 -7.719 -11.012 2.637 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.321 -10.672 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.657 -12.361 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.682 -11.085 5.095 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.567 -10.522 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.414 -12.131 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.416 -11.361 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.815 -13.026 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.292 -12.494 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.610 -13.402 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.747 -11.987 7.361 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.194 -8.276 4.352 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.080 -6.927 4.893 1.00 0.00 C ATOM 1911 C ALA A 120 -8.821 -5.922 4.019 1.00 0.00 C ATOM 1912 O ALA A 120 -9.349 -4.928 4.511 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.617 -6.532 5.031 1.00 0.00 C ATOM 0 H ALA A 120 -7.356 -8.613 3.879 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.540 -6.920 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.549 -5.522 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.114 -7.227 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.138 -6.563 4.052 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.856 -6.193 2.719 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.528 -5.315 1.766 1.00 0.00 C ATOM 1921 C PHE A 121 -11.020 -5.210 2.084 1.00 0.00 C ATOM 1922 O PHE A 121 -11.554 -4.114 2.273 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.326 -5.847 0.343 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.602 -4.841 -0.742 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.071 -3.562 -0.679 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.385 -5.184 -1.834 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.318 -2.644 -1.683 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.635 -4.269 -2.840 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.101 -2.999 -2.764 1.00 0.00 C ATOM 0 H PHE A 121 -8.425 -7.017 2.299 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.094 -4.318 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.299 -6.199 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.975 -6.710 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.458 -3.279 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.804 -6.177 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.899 -1.650 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.248 -4.548 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.295 -2.283 -3.549 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.682 -6.361 2.161 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.109 -6.400 2.456 1.00 0.00 C ATOM 1941 C LYS A 122 -13.385 -5.901 3.869 1.00 0.00 C ATOM 1942 O LYS A 122 -14.268 -5.071 4.081 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.651 -7.821 2.292 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.160 -7.913 2.447 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.656 -9.337 2.256 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.173 -9.414 2.338 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.681 -8.972 3.667 1.00 0.00 N ATOM 0 H LYS A 122 -11.253 -7.276 2.023 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.616 -5.743 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.371 -8.198 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.177 -8.470 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.447 -7.557 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.642 -7.259 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.323 -9.713 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.216 -9.982 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.611 -8.792 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.495 -10.438 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.232 -9.740 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.878 -8.731 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.288 -8.136 3.546 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.622 -6.410 4.832 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.785 -6.014 6.226 1.00 0.00 C ATOM 1963 C GLU A 123 -12.597 -4.509 6.387 1.00 0.00 C ATOM 1964 O GLU A 123 -13.175 -3.894 7.283 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.787 -6.763 7.112 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.998 -6.530 8.600 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.363 -6.992 9.075 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.514 -8.196 9.370 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.281 -6.147 9.150 1.00 0.00 O ATOM 0 H GLU A 123 -11.885 -7.097 4.672 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.798 -6.272 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.861 -7.831 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.776 -6.457 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.225 -7.057 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.882 -5.468 8.818 1.00 0.00 H new ATOM 1976 N MET A 124 -11.785 -3.922 5.511 1.00 0.00 N ATOM 1977 CA MET A 124 -11.525 -2.488 5.556 1.00 0.00 C ATOM 1978 C MET A 124 -12.781 -1.703 5.203 1.00 0.00 C ATOM 1979 O MET A 124 -13.146 -0.752 5.896 1.00 0.00 O ATOM 1980 CB MET A 124 -10.393 -2.117 4.596 1.00 0.00 C ATOM 1981 CG MET A 124 -10.032 -0.640 4.623 1.00 0.00 C ATOM 1982 SD MET A 124 -8.672 -0.234 3.511 1.00 0.00 S ATOM 1983 CE MET A 124 -9.399 -0.639 1.925 1.00 0.00 C ATOM 0 H MET A 124 -11.298 -4.417 4.764 1.00 0.00 H new ATOM 0 HA MET A 124 -11.225 -2.231 6.572 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.509 -2.703 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.682 -2.393 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.908 -0.051 4.349 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.762 -0.355 5.640 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.829 -0.158 1.130 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.381 -1.719 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.430 -0.287 1.897 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.438 -2.103 4.119 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.656 -1.431 3.681 1.00 0.00 C ATOM 1995 C PHE A 125 -15.778 -1.603 4.703 1.00 0.00 C ATOM 1996 O PHE A 125 -16.476 -0.646 5.035 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.100 -1.958 2.318 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.132 -1.649 1.213 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.798 -0.337 0.912 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.558 -2.667 0.473 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.909 -0.049 -0.104 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.668 -2.385 -0.545 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.343 -1.075 -0.834 1.00 0.00 C ATOM 0 H PHE A 125 -13.150 -2.885 3.531 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.436 -0.367 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.235 -3.038 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.071 -1.529 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.239 0.469 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.809 -3.694 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.657 0.977 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.227 -3.189 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.647 -0.853 -1.630 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.947 -2.828 5.196 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.983 -3.117 6.183 1.00 0.00 C ATOM 2015 C LEU A 126 -16.779 -2.280 7.440 1.00 0.00 C ATOM 2016 O LEU A 126 -17.740 -1.881 8.096 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.988 -4.606 6.538 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.847 -5.491 5.630 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.326 -5.465 4.202 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.885 -6.917 6.159 1.00 0.00 C ATOM 0 H LEU A 126 -15.381 -3.634 4.929 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.947 -2.858 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.962 -4.973 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.339 -4.717 7.564 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.863 -5.095 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.951 -6.101 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.352 -4.443 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.300 -5.833 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.500 -7.533 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.873 -7.320 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.310 -6.922 7.163 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.518 -2.013 7.765 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.183 -1.217 8.940 1.00 0.00 C ATOM 2034 C ASP A 127 -15.545 0.248 8.720 1.00 0.00 C ATOM 2035 O ASP A 127 -16.094 0.903 9.607 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.694 -1.347 9.262 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.291 -0.529 10.474 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.409 -1.046 11.605 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.858 0.628 10.291 1.00 0.00 O ATOM 0 H ASP A 127 -14.711 -2.336 7.231 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.761 -1.593 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.453 -2.395 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.109 -1.026 8.400 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.236 0.754 7.529 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.528 2.142 7.189 1.00 0.00 C ATOM 2046 C TYR A 128 -17.030 2.405 7.230 1.00 0.00 C ATOM 2047 O TYR A 128 -17.475 3.443 7.720 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.973 2.474 5.801 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.220 3.904 5.371 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.456 4.945 5.883 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.215 4.210 4.452 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.677 6.251 5.491 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.443 5.514 4.055 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.671 6.531 4.578 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.894 7.830 4.184 1.00 0.00 O ATOM 0 H TYR A 128 -14.784 0.223 6.784 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.046 2.784 7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.900 2.282 5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.422 1.802 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.677 4.730 6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.821 3.416 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.074 7.049 5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.221 5.736 3.339 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.629 7.854 3.536 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.806 1.455 6.716 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.259 1.581 6.694 1.00 0.00 C ATOM 2067 C ARG A 129 -19.820 1.652 8.111 1.00 0.00 C ATOM 2068 O ARG A 129 -20.698 2.464 8.403 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.884 0.404 5.943 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.400 0.469 5.857 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.964 -0.736 5.123 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.422 -0.701 5.054 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.153 -1.627 4.442 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.565 -2.659 3.852 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.474 -1.523 4.421 1.00 0.00 N ATOM 0 H ARG A 129 -17.452 0.589 6.309 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.510 2.507 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.473 0.369 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.597 -0.524 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.822 0.516 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.698 1.383 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.554 -0.770 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.647 -1.649 5.627 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.907 0.078 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.549 -2.744 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.129 -3.368 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.931 -0.732 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.034 -2.234 3.951 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.308 0.793 8.988 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.754 0.759 10.375 1.00 0.00 C ATOM 2091 C ALA A 130 -19.445 2.078 11.076 1.00 0.00 C ATOM 2092 O ALA A 130 -20.148 2.481 12.004 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.102 -0.400 11.112 1.00 0.00 C ATOM 0 H ALA A 130 -18.584 0.111 8.761 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.834 0.614 10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.445 -0.412 12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.374 -1.338 10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.019 -0.282 11.090 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.388 2.746 10.625 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.984 4.023 11.202 1.00 0.00 C ATOM 2101 C GLU A 131 -18.923 5.140 10.753 1.00 0.00 C ATOM 2102 O GLU A 131 -19.110 6.129 11.463 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.547 4.358 10.797 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.032 5.658 11.395 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.602 5.961 10.992 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.403 6.548 9.908 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.684 5.613 11.762 1.00 0.00 O ATOM 0 H GLU A 131 -17.795 2.423 9.860 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.038 3.938 12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -15.892 3.542 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.490 4.420 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.676 6.479 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.095 5.603 12.482 1.00 0.00 H new