USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.25) USER MOD Single : A 18 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.22) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.34! C(o=-2.3!,f=-0.76!) USER MOD Single : A 23 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 21:sc= -4.54! USER MOD Single : A 31 ASN : amide:sc= -1.23! C(o=-1.2!,f=-1.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 150:sc= -0.221 USER MOD Single : A 44 ASN : amide:sc= -6.44! C(o=-6.4!,f=-4.9!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 103 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.43) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 130 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 136 SER OG : rot -49:sc= -2.62! USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -39.963 27.419 7.316 1.00 0.00 N ATOM 251 CA GLN A 17 -40.658 27.193 8.576 1.00 0.00 C ATOM 252 C GLN A 17 -40.038 25.999 9.284 1.00 0.00 C ATOM 253 O GLN A 17 -40.026 25.925 10.511 1.00 0.00 O ATOM 254 CB GLN A 17 -42.147 26.929 8.331 1.00 0.00 C ATOM 255 CG GLN A 17 -42.977 28.047 8.965 1.00 0.00 C ATOM 256 CD GLN A 17 -42.609 29.388 8.340 1.00 0.00 C ATOM 257 OE1 GLN A 17 -41.996 30.232 8.995 1.00 0.00 O ATOM 258 NE2 GLN A 17 -42.945 29.637 7.104 1.00 0.00 N ATOM 0 HA GLN A 17 -40.561 28.084 9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -42.346 26.877 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -42.431 25.966 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -44.039 27.849 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -42.801 28.077 10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -43.453 28.937 6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -42.700 30.531 6.679 1.00 0.00 H new ATOM 267 N GLN A 18 -39.515 25.070 8.495 1.00 0.00 N ATOM 268 CA GLN A 18 -38.885 23.883 9.050 1.00 0.00 C ATOM 269 C GLN A 18 -37.558 24.243 9.695 1.00 0.00 C ATOM 270 O GLN A 18 -37.087 23.543 10.584 1.00 0.00 O ATOM 271 CB GLN A 18 -38.641 22.851 7.952 1.00 0.00 C ATOM 272 CG GLN A 18 -39.731 21.778 8.010 1.00 0.00 C ATOM 273 CD GLN A 18 -39.858 21.089 6.655 1.00 0.00 C ATOM 274 OE1 GLN A 18 -40.054 21.752 5.637 1.00 0.00 O ATOM 275 NE2 GLN A 18 -39.758 19.791 6.583 1.00 0.00 N ATOM 0 H GLN A 18 -39.515 25.116 7.476 1.00 0.00 H new ATOM 0 HA GLN A 18 -39.553 23.463 9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -38.644 23.335 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -37.659 22.395 8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -39.490 21.044 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -40.683 22.230 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -39.596 19.244 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -39.842 19.322 5.681 1.00 0.00 H new ATOM 284 N THR A 19 -36.954 25.334 9.236 1.00 0.00 N ATOM 285 CA THR A 19 -35.673 25.756 9.783 1.00 0.00 C ATOM 286 C THR A 19 -35.848 26.292 11.195 1.00 0.00 C ATOM 287 O THR A 19 -35.164 25.870 12.127 1.00 0.00 O ATOM 288 CB THR A 19 -35.028 26.815 8.874 1.00 0.00 C ATOM 289 OG1 THR A 19 -33.637 26.553 8.768 1.00 0.00 O ATOM 290 CG2 THR A 19 -35.235 28.221 9.449 1.00 0.00 C ATOM 0 H THR A 19 -37.325 25.933 8.498 1.00 0.00 H new ATOM 0 HA THR A 19 -35.011 24.891 9.827 1.00 0.00 H new ATOM 0 HB THR A 19 -35.497 26.767 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 -33.221 27.224 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 19 -34.771 28.955 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 19 -36.302 28.428 9.529 1.00 0.00 H new ATOM 0 HG23 THR A 19 -34.779 28.281 10.437 1.00 0.00 H new ATOM 298 N PHE A 20 -36.779 27.214 11.339 1.00 0.00 N ATOM 299 CA PHE A 20 -37.068 27.807 12.637 1.00 0.00 C ATOM 300 C PHE A 20 -37.504 26.712 13.596 1.00 0.00 C ATOM 301 O PHE A 20 -36.933 26.538 14.673 1.00 0.00 O ATOM 302 CB PHE A 20 -38.181 28.845 12.491 1.00 0.00 C ATOM 303 CG PHE A 20 -38.462 29.478 13.828 1.00 0.00 C ATOM 304 CD1 PHE A 20 -39.313 28.842 14.737 1.00 0.00 C ATOM 305 CD2 PHE A 20 -37.877 30.705 14.155 1.00 0.00 C ATOM 306 CE1 PHE A 20 -39.579 29.433 15.975 1.00 0.00 C ATOM 307 CE2 PHE A 20 -38.144 31.298 15.392 1.00 0.00 C ATOM 308 CZ PHE A 20 -38.995 30.661 16.301 1.00 0.00 C ATOM 0 H PHE A 20 -37.351 27.572 10.574 1.00 0.00 H new ATOM 0 HA PHE A 20 -36.176 28.298 13.026 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -37.887 29.609 11.771 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -39.084 28.372 12.104 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.764 27.894 14.482 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -37.219 31.194 13.452 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -40.235 28.942 16.679 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -37.694 32.246 15.646 1.00 0.00 H new ATOM 0 HZ PHE A 20 -39.202 31.119 17.257 1.00 0.00 H new ATOM 318 N LEU A 21 -38.508 25.964 13.169 1.00 0.00 N ATOM 319 CA LEU A 21 -39.027 24.854 13.954 1.00 0.00 C ATOM 320 C LEU A 21 -37.911 23.843 14.189 1.00 0.00 C ATOM 321 O LEU A 21 -37.705 23.379 15.310 1.00 0.00 O ATOM 322 CB LEU A 21 -40.189 24.183 13.217 1.00 0.00 C ATOM 323 CG LEU A 21 -41.241 25.236 12.855 1.00 0.00 C ATOM 324 CD1 LEU A 21 -42.105 24.730 11.696 1.00 0.00 C ATOM 325 CD2 LEU A 21 -42.135 25.503 14.068 1.00 0.00 C ATOM 0 H LEU A 21 -38.983 26.106 12.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -39.391 25.228 14.911 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -39.826 23.691 12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -40.633 23.410 13.844 1.00 0.00 H new ATOM 0 HG LEU A 21 -40.737 26.156 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -42.851 25.483 11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -41.474 24.539 10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -42.606 23.808 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -42.884 26.252 13.810 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -42.633 24.579 14.363 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -41.526 25.868 14.895 1.00 0.00 H new ATOM 337 N ASN A 22 -37.172 23.528 13.124 1.00 0.00 N ATOM 338 CA ASN A 22 -36.058 22.598 13.241 1.00 0.00 C ATOM 339 C ASN A 22 -35.189 23.036 14.403 1.00 0.00 C ATOM 340 O ASN A 22 -34.859 22.246 15.288 1.00 0.00 O ATOM 341 CB ASN A 22 -35.225 22.589 11.954 1.00 0.00 C ATOM 342 CG ASN A 22 -33.837 22.028 12.238 1.00 0.00 C ATOM 343 OD1 ASN A 22 -32.870 22.392 11.569 1.00 0.00 O ATOM 344 ND2 ASN A 22 -33.679 21.158 13.197 1.00 0.00 N ATOM 0 H ASN A 22 -37.324 23.899 12.186 1.00 0.00 H new ATOM 0 HA ASN A 22 -36.442 21.592 13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -35.722 21.986 11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -35.143 23.601 11.556 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -32.753 20.778 13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -34.481 20.858 13.750 1.00 0.00 H new ATOM 351 N GLN A 23 -34.849 24.319 14.400 1.00 0.00 N ATOM 352 CA GLN A 23 -34.046 24.886 15.468 1.00 0.00 C ATOM 353 C GLN A 23 -34.727 24.599 16.806 1.00 0.00 C ATOM 354 O GLN A 23 -34.134 23.990 17.695 1.00 0.00 O ATOM 355 CB GLN A 23 -33.889 26.401 15.256 1.00 0.00 C ATOM 356 CG GLN A 23 -32.519 26.694 14.639 1.00 0.00 C ATOM 357 CD GLN A 23 -31.408 26.243 15.582 1.00 0.00 C ATOM 358 OE1 GLN A 23 -30.968 25.095 15.520 1.00 0.00 O ATOM 359 NE2 GLN A 23 -30.925 27.085 16.453 1.00 0.00 N ATOM 0 H GLN A 23 -35.117 24.981 13.672 1.00 0.00 H new ATOM 0 HA GLN A 23 -33.053 24.436 15.466 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -34.680 26.771 14.603 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -33.990 26.924 16.207 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -32.425 26.179 13.683 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -32.424 27.761 14.437 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -31.292 28.035 16.501 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -30.180 26.793 17.086 1.00 0.00 H new ATOM 368 N LEU A 24 -35.987 25.025 16.921 1.00 0.00 N ATOM 369 CA LEU A 24 -36.779 24.807 18.128 1.00 0.00 C ATOM 370 C LEU A 24 -36.614 23.375 18.617 1.00 0.00 C ATOM 371 O LEU A 24 -36.717 23.101 19.807 1.00 0.00 O ATOM 372 CB LEU A 24 -38.249 25.083 17.819 1.00 0.00 C ATOM 373 CG LEU A 24 -38.764 26.199 18.731 1.00 0.00 C ATOM 374 CD1 LEU A 24 -37.981 27.484 18.453 1.00 0.00 C ATOM 375 CD2 LEU A 24 -40.250 26.443 18.456 1.00 0.00 C ATOM 0 H LEU A 24 -36.482 25.527 16.184 1.00 0.00 H new ATOM 0 HA LEU A 24 -36.434 25.483 18.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -38.364 25.371 16.774 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -38.838 24.178 17.966 1.00 0.00 H new ATOM 0 HG LEU A 24 -38.631 25.905 19.772 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -38.346 28.280 19.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -36.922 27.314 18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -38.116 27.774 17.411 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -40.615 27.238 19.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -40.384 26.736 17.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -40.811 25.529 18.651 1.00 0.00 H new ATOM 387 N ARG A 25 -36.352 22.469 17.689 1.00 0.00 N ATOM 388 CA ARG A 25 -36.158 21.069 18.036 1.00 0.00 C ATOM 389 C ARG A 25 -34.692 20.817 18.385 1.00 0.00 C ATOM 390 O ARG A 25 -34.360 19.862 19.082 1.00 0.00 O ATOM 391 CB ARG A 25 -36.580 20.184 16.855 1.00 0.00 C ATOM 392 CG ARG A 25 -35.976 18.785 16.997 1.00 0.00 C ATOM 393 CD ARG A 25 -34.684 18.698 16.182 1.00 0.00 C ATOM 394 NE ARG A 25 -34.989 18.420 14.783 1.00 0.00 N ATOM 395 CZ ARG A 25 -34.085 17.868 13.977 1.00 0.00 C ATOM 396 NH1 ARG A 25 -32.906 17.555 14.439 1.00 0.00 N ATOM 397 NH2 ARG A 25 -34.379 17.638 12.725 1.00 0.00 N ATOM 0 H ARG A 25 -36.269 22.676 16.694 1.00 0.00 H new ATOM 0 HA ARG A 25 -36.771 20.824 18.903 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -37.667 20.116 16.813 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -36.253 20.635 15.918 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -35.771 18.571 18.046 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -36.687 18.034 16.652 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -34.131 19.634 16.262 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -34.043 17.914 16.585 1.00 0.00 H new ATOM 0 HE ARG A 25 -35.912 18.653 14.416 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -32.678 17.733 15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.212 17.132 13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -35.302 17.881 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -33.686 17.215 12.108 1.00 0.00 H new ATOM 411 N GLU A 26 -33.818 21.671 17.858 1.00 0.00 N ATOM 412 CA GLU A 26 -32.376 21.527 18.075 1.00 0.00 C ATOM 413 C GLU A 26 -31.859 22.232 19.337 1.00 0.00 C ATOM 414 O GLU A 26 -31.207 21.606 20.173 1.00 0.00 O ATOM 415 CB GLU A 26 -31.621 22.074 16.865 1.00 0.00 C ATOM 416 CG GLU A 26 -30.120 21.915 17.099 1.00 0.00 C ATOM 417 CD GLU A 26 -29.366 22.047 15.781 1.00 0.00 C ATOM 418 OE1 GLU A 26 -30.007 21.988 14.746 1.00 0.00 O ATOM 419 OE2 GLU A 26 -28.156 22.204 15.827 1.00 0.00 O ATOM 0 H GLU A 26 -34.080 22.469 17.279 1.00 0.00 H new ATOM 0 HA GLU A 26 -32.198 20.461 18.213 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -31.920 21.540 15.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -31.868 23.124 16.711 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -29.772 22.671 17.803 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -29.915 20.943 17.548 1.00 0.00 H new ATOM 426 N ILE A 27 -32.095 23.539 19.448 1.00 0.00 N ATOM 427 CA ILE A 27 -31.574 24.301 20.594 1.00 0.00 C ATOM 428 C ILE A 27 -31.969 23.655 21.919 1.00 0.00 C ATOM 429 O ILE A 27 -31.110 23.293 22.724 1.00 0.00 O ATOM 430 CB ILE A 27 -32.088 25.759 20.601 1.00 0.00 C ATOM 431 CG1 ILE A 27 -32.652 26.168 19.241 1.00 0.00 C ATOM 432 CG2 ILE A 27 -30.960 26.721 20.957 1.00 0.00 C ATOM 433 CD1 ILE A 27 -34.170 26.096 19.311 1.00 0.00 C ATOM 0 H ILE A 27 -32.632 24.088 18.776 1.00 0.00 H new ATOM 0 HA ILE A 27 -30.489 24.299 20.486 1.00 0.00 H new ATOM 0 HB ILE A 27 -32.881 25.809 21.347 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -32.331 27.178 18.985 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -32.276 25.507 18.460 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -31.340 27.743 20.957 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -30.573 26.478 21.946 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -30.160 26.631 20.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -34.593 26.385 18.349 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -34.475 25.077 19.551 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -34.531 26.774 20.084 1.00 0.00 H new ATOM 445 N THR A 28 -33.269 23.533 22.147 1.00 0.00 N ATOM 446 CA THR A 28 -33.770 22.952 23.386 1.00 0.00 C ATOM 447 C THR A 28 -33.874 21.437 23.268 1.00 0.00 C ATOM 448 O THR A 28 -34.152 20.742 24.246 1.00 0.00 O ATOM 449 CB THR A 28 -35.140 23.544 23.692 1.00 0.00 C ATOM 450 OG1 THR A 28 -35.941 22.570 24.346 1.00 0.00 O ATOM 451 CG2 THR A 28 -35.795 23.964 22.375 1.00 0.00 C ATOM 0 H THR A 28 -33.994 23.827 21.493 1.00 0.00 H new ATOM 0 HA THR A 28 -33.076 23.183 24.194 1.00 0.00 H new ATOM 0 HB THR A 28 -35.039 24.411 24.344 1.00 0.00 H new ATOM 0 HG1 THR A 28 -35.363 21.890 24.751 1.00 0.00 H new ATOM 0 HG21 THR A 28 -36.778 24.390 22.577 1.00 0.00 H new ATOM 0 HG22 THR A 28 -35.171 24.708 21.880 1.00 0.00 H new ATOM 0 HG23 THR A 28 -35.903 23.093 21.729 1.00 0.00 H new ATOM 459 N GLY A 29 -33.635 20.931 22.066 1.00 0.00 N ATOM 460 CA GLY A 29 -33.688 19.492 21.829 1.00 0.00 C ATOM 461 C GLY A 29 -35.118 18.946 21.878 1.00 0.00 C ATOM 462 O GLY A 29 -35.315 17.731 21.880 1.00 0.00 O ATOM 0 H GLY A 29 -33.404 21.489 21.244 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -33.250 19.270 20.856 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -33.081 18.981 22.576 1.00 0.00 H new ATOM 466 N ILE A 30 -36.116 19.828 21.918 1.00 0.00 N ATOM 467 CA ILE A 30 -37.506 19.365 21.966 1.00 0.00 C ATOM 468 C ILE A 30 -37.822 18.514 20.742 1.00 0.00 C ATOM 469 O ILE A 30 -37.205 18.668 19.689 1.00 0.00 O ATOM 470 CB ILE A 30 -38.487 20.545 22.020 1.00 0.00 C ATOM 471 CG1 ILE A 30 -38.265 21.407 23.277 1.00 0.00 C ATOM 472 CG2 ILE A 30 -39.919 20.007 22.029 1.00 0.00 C ATOM 473 CD1 ILE A 30 -37.589 20.604 24.394 1.00 0.00 C ATOM 0 H ILE A 30 -35.997 20.841 21.918 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.621 18.770 22.872 1.00 0.00 H new ATOM 0 HB ILE A 30 -38.316 21.170 21.143 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -37.650 22.270 23.024 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -39.222 21.791 23.631 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -40.621 20.840 22.067 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -40.095 19.426 21.124 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -40.063 19.371 22.902 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -37.447 21.242 25.266 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -38.218 19.755 24.664 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -36.621 20.243 24.048 1.00 0.00 H new ATOM 485 N ASN A 31 -38.784 17.610 20.893 1.00 0.00 N ATOM 486 CA ASN A 31 -39.174 16.730 19.798 1.00 0.00 C ATOM 487 C ASN A 31 -40.596 17.037 19.334 1.00 0.00 C ATOM 488 O ASN A 31 -40.870 17.077 18.134 1.00 0.00 O ATOM 489 CB ASN A 31 -39.086 15.272 20.253 1.00 0.00 C ATOM 490 CG ASN A 31 -40.352 14.883 21.008 1.00 0.00 C ATOM 491 OD1 ASN A 31 -41.297 14.366 20.413 1.00 0.00 O ATOM 492 ND2 ASN A 31 -40.428 15.105 22.291 1.00 0.00 N ATOM 0 H ASN A 31 -39.305 17.468 21.758 1.00 0.00 H new ATOM 0 HA ASN A 31 -38.494 16.896 18.963 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -38.953 14.620 19.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -38.214 15.134 20.893 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -41.272 14.850 22.804 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -39.643 15.534 22.782 1.00 0.00 H new ATOM 499 N ASP A 32 -41.495 17.253 20.290 1.00 0.00 N ATOM 500 CA ASP A 32 -42.886 17.554 19.965 1.00 0.00 C ATOM 501 C ASP A 32 -42.963 18.583 18.841 1.00 0.00 C ATOM 502 O ASP A 32 -42.787 19.779 19.072 1.00 0.00 O ATOM 503 CB ASP A 32 -43.606 18.093 21.202 1.00 0.00 C ATOM 504 CG ASP A 32 -43.092 17.390 22.454 1.00 0.00 C ATOM 505 OD1 ASP A 32 -43.403 16.223 22.623 1.00 0.00 O ATOM 506 OD2 ASP A 32 -42.393 18.028 23.224 1.00 0.00 O ATOM 0 H ASP A 32 -41.288 17.226 21.288 1.00 0.00 H new ATOM 0 HA ASP A 32 -43.370 16.635 19.635 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -43.445 19.168 21.287 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -44.680 17.938 21.104 1.00 0.00 H new ATOM 511 N THR A 33 -43.224 18.109 17.627 1.00 0.00 N ATOM 512 CA THR A 33 -43.316 18.995 16.470 1.00 0.00 C ATOM 513 C THR A 33 -44.530 19.916 16.575 1.00 0.00 C ATOM 514 O THR A 33 -44.505 21.044 16.084 1.00 0.00 O ATOM 515 CB THR A 33 -43.416 18.166 15.188 1.00 0.00 C ATOM 516 OG1 THR A 33 -42.222 17.416 15.017 1.00 0.00 O ATOM 517 CG2 THR A 33 -43.613 19.096 13.989 1.00 0.00 C ATOM 0 H THR A 33 -43.375 17.122 17.418 1.00 0.00 H new ATOM 0 HA THR A 33 -42.417 19.611 16.444 1.00 0.00 H new ATOM 0 HB THR A 33 -44.265 17.487 15.260 1.00 0.00 H new ATOM 0 HG1 THR A 33 -42.285 16.883 14.197 1.00 0.00 H new ATOM 0 HG21 THR A 33 -43.684 18.504 13.077 1.00 0.00 H new ATOM 0 HG22 THR A 33 -44.530 19.670 14.121 1.00 0.00 H new ATOM 0 HG23 THR A 33 -42.766 19.777 13.914 1.00 0.00 H new ATOM 525 N GLN A 34 -45.591 19.428 17.208 1.00 0.00 N ATOM 526 CA GLN A 34 -46.807 20.218 17.358 1.00 0.00 C ATOM 527 C GLN A 34 -46.554 21.446 18.234 1.00 0.00 C ATOM 528 O GLN A 34 -47.108 22.519 17.988 1.00 0.00 O ATOM 529 CB GLN A 34 -47.923 19.348 17.958 1.00 0.00 C ATOM 530 CG GLN A 34 -48.268 19.827 19.368 1.00 0.00 C ATOM 531 CD GLN A 34 -49.272 18.879 20.014 1.00 0.00 C ATOM 532 OE1 GLN A 34 -48.940 18.179 20.971 1.00 0.00 O ATOM 533 NE2 GLN A 34 -50.488 18.816 19.548 1.00 0.00 N ATOM 0 H GLN A 34 -45.634 18.497 17.622 1.00 0.00 H new ATOM 0 HA GLN A 34 -47.120 20.567 16.374 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -48.809 19.393 17.324 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -47.605 18.306 17.988 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -47.363 19.879 19.974 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -48.682 20.834 19.327 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -50.761 19.397 18.755 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -51.166 18.186 19.976 1.00 0.00 H new ATOM 542 N ILE A 35 -45.723 21.279 19.257 1.00 0.00 N ATOM 543 CA ILE A 35 -45.414 22.380 20.163 1.00 0.00 C ATOM 544 C ILE A 35 -44.619 23.469 19.446 1.00 0.00 C ATOM 545 O ILE A 35 -44.849 24.658 19.664 1.00 0.00 O ATOM 546 CB ILE A 35 -44.614 21.866 21.361 1.00 0.00 C ATOM 547 CG1 ILE A 35 -45.428 20.796 22.094 1.00 0.00 C ATOM 548 CG2 ILE A 35 -44.319 23.024 22.316 1.00 0.00 C ATOM 549 CD1 ILE A 35 -46.799 21.364 22.471 1.00 0.00 C ATOM 0 H ILE A 35 -45.255 20.400 19.479 1.00 0.00 H new ATOM 0 HA ILE A 35 -46.355 22.807 20.510 1.00 0.00 H new ATOM 0 HB ILE A 35 -43.675 21.436 21.013 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -45.549 19.918 21.459 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -44.898 20.472 22.990 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -43.749 22.656 23.169 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -43.741 23.787 21.795 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -45.257 23.455 22.665 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -47.378 20.602 22.993 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -46.668 22.229 23.122 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -47.328 21.666 21.568 1.00 0.00 H new ATOM 561 N LEU A 36 -43.685 23.061 18.591 1.00 0.00 N ATOM 562 CA LEU A 36 -42.871 24.025 17.856 1.00 0.00 C ATOM 563 C LEU A 36 -43.754 24.901 16.971 1.00 0.00 C ATOM 564 O LEU A 36 -43.793 26.120 17.135 1.00 0.00 O ATOM 565 CB LEU A 36 -41.830 23.301 16.993 1.00 0.00 C ATOM 566 CG LEU A 36 -41.179 22.170 17.794 1.00 0.00 C ATOM 567 CD1 LEU A 36 -39.895 21.718 17.092 1.00 0.00 C ATOM 568 CD2 LEU A 36 -40.841 22.656 19.209 1.00 0.00 C ATOM 0 H LEU A 36 -43.475 22.083 18.392 1.00 0.00 H new ATOM 0 HA LEU A 36 -42.354 24.656 18.579 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -42.305 22.897 16.099 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -41.069 24.006 16.659 1.00 0.00 H new ATOM 0 HG LEU A 36 -41.876 21.334 17.859 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -39.432 20.913 17.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -40.134 21.361 16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -39.203 22.558 17.023 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -40.378 21.845 19.771 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -40.150 23.497 19.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -41.754 22.972 19.713 1.00 0.00 H new ATOM 580 N GLN A 37 -44.463 24.274 16.039 1.00 0.00 N ATOM 581 CA GLN A 37 -45.344 25.013 15.140 1.00 0.00 C ATOM 582 C GLN A 37 -46.173 26.023 15.925 1.00 0.00 C ATOM 583 O GLN A 37 -46.501 27.100 15.426 1.00 0.00 O ATOM 584 CB GLN A 37 -46.281 24.046 14.410 1.00 0.00 C ATOM 585 CG GLN A 37 -45.586 23.500 13.162 1.00 0.00 C ATOM 586 CD GLN A 37 -46.530 22.570 12.406 1.00 0.00 C ATOM 587 OE1 GLN A 37 -46.750 22.748 11.208 1.00 0.00 O ATOM 588 NE2 GLN A 37 -47.106 21.585 13.039 1.00 0.00 N ATOM 0 H GLN A 37 -44.446 23.266 15.886 1.00 0.00 H new ATOM 0 HA GLN A 37 -44.729 25.542 14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -46.560 23.226 15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -47.202 24.558 14.131 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -45.279 24.323 12.517 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -44.681 22.962 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -46.922 21.440 14.032 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -47.740 20.960 12.541 1.00 0.00 H new ATOM 597 N GLN A 38 -46.507 25.665 17.160 1.00 0.00 N ATOM 598 CA GLN A 38 -47.299 26.544 18.012 1.00 0.00 C ATOM 599 C GLN A 38 -46.418 27.605 18.664 1.00 0.00 C ATOM 600 O GLN A 38 -46.869 28.718 18.931 1.00 0.00 O ATOM 601 CB GLN A 38 -48.009 25.725 19.092 1.00 0.00 C ATOM 602 CG GLN A 38 -49.210 25.003 18.476 1.00 0.00 C ATOM 603 CD GLN A 38 -49.876 24.114 19.519 1.00 0.00 C ATOM 604 OE1 GLN A 38 -51.103 24.067 19.604 1.00 0.00 O ATOM 605 NE2 GLN A 38 -49.136 23.404 20.325 1.00 0.00 N ATOM 0 H GLN A 38 -46.244 24.779 17.591 1.00 0.00 H new ATOM 0 HA GLN A 38 -48.042 27.045 17.391 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -47.320 25.001 19.527 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -48.339 26.377 19.901 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -49.927 25.731 18.096 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -48.886 24.401 17.627 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -48.119 23.445 20.253 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -49.574 22.808 21.028 1.00 0.00 H new ATOM 614 N ALA A 39 -45.158 27.257 18.911 1.00 0.00 N ATOM 615 CA ALA A 39 -44.228 28.195 19.523 1.00 0.00 C ATOM 616 C ALA A 39 -43.796 29.238 18.502 1.00 0.00 C ATOM 617 O ALA A 39 -43.404 30.344 18.861 1.00 0.00 O ATOM 618 CB ALA A 39 -43.004 27.448 20.053 1.00 0.00 C ATOM 0 H ALA A 39 -44.762 26.341 18.698 1.00 0.00 H new ATOM 0 HA ALA A 39 -44.725 28.695 20.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -42.314 28.158 20.509 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -43.318 26.717 20.798 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -42.506 26.935 19.230 1.00 0.00 H new ATOM 624 N LEU A 40 -43.886 28.875 17.227 1.00 0.00 N ATOM 625 CA LEU A 40 -43.514 29.782 16.146 1.00 0.00 C ATOM 626 C LEU A 40 -44.623 30.807 15.919 1.00 0.00 C ATOM 627 O LEU A 40 -44.361 31.994 15.728 1.00 0.00 O ATOM 628 CB LEU A 40 -43.275 28.971 14.864 1.00 0.00 C ATOM 629 CG LEU A 40 -43.046 29.902 13.664 1.00 0.00 C ATOM 630 CD1 LEU A 40 -44.370 30.548 13.246 1.00 0.00 C ATOM 631 CD2 LEU A 40 -42.037 30.993 14.036 1.00 0.00 C ATOM 0 H LEU A 40 -44.213 27.960 16.916 1.00 0.00 H new ATOM 0 HA LEU A 40 -42.600 30.312 16.415 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -42.410 28.321 14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -44.132 28.326 14.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -42.653 29.317 12.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -44.200 31.207 12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -45.082 29.771 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -44.771 31.126 14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -41.879 31.650 13.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -42.422 31.574 14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -41.091 30.532 14.319 1.00 0.00 H new ATOM 643 N LYS A 41 -45.864 30.333 15.943 1.00 0.00 N ATOM 644 CA LYS A 41 -47.016 31.204 15.732 1.00 0.00 C ATOM 645 C LYS A 41 -47.113 32.278 16.815 1.00 0.00 C ATOM 646 O LYS A 41 -47.394 33.440 16.519 1.00 0.00 O ATOM 647 CB LYS A 41 -48.298 30.368 15.726 1.00 0.00 C ATOM 648 CG LYS A 41 -48.347 29.515 14.455 1.00 0.00 C ATOM 649 CD LYS A 41 -49.394 30.085 13.496 1.00 0.00 C ATOM 650 CE LYS A 41 -50.795 29.783 14.031 1.00 0.00 C ATOM 651 NZ LYS A 41 -51.769 29.790 12.904 1.00 0.00 N ATOM 0 H LYS A 41 -46.098 29.354 16.106 1.00 0.00 H new ATOM 0 HA LYS A 41 -46.889 31.702 14.771 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -48.331 29.728 16.608 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -49.170 31.020 15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -47.368 29.502 13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -48.592 28.483 14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -49.258 31.161 13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -49.270 29.649 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -50.805 28.813 14.528 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -51.079 30.526 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -52.722 29.585 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -51.766 30.725 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -51.500 29.065 12.208 1.00 0.00 H new ATOM 665 N ASP A 42 -46.897 31.886 18.066 1.00 0.00 N ATOM 666 CA ASP A 42 -46.981 32.833 19.173 1.00 0.00 C ATOM 667 C ASP A 42 -45.652 33.555 19.385 1.00 0.00 C ATOM 668 O ASP A 42 -45.609 34.637 19.970 1.00 0.00 O ATOM 669 CB ASP A 42 -47.380 32.102 20.456 1.00 0.00 C ATOM 670 CG ASP A 42 -48.770 31.493 20.300 1.00 0.00 C ATOM 671 OD1 ASP A 42 -49.556 32.046 19.549 1.00 0.00 O ATOM 672 OD2 ASP A 42 -49.027 30.482 20.933 1.00 0.00 O ATOM 0 H ASP A 42 -46.665 30.931 18.338 1.00 0.00 H new ATOM 0 HA ASP A 42 -47.739 33.576 18.924 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -46.654 31.320 20.679 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -47.370 32.795 21.297 1.00 0.00 H new ATOM 677 N SER A 43 -44.572 32.942 18.919 1.00 0.00 N ATOM 678 CA SER A 43 -43.241 33.525 19.075 1.00 0.00 C ATOM 679 C SER A 43 -43.113 34.844 18.320 1.00 0.00 C ATOM 680 O SER A 43 -42.362 35.728 18.729 1.00 0.00 O ATOM 681 CB SER A 43 -42.192 32.558 18.536 1.00 0.00 C ATOM 682 OG SER A 43 -41.050 33.285 18.098 1.00 0.00 O ATOM 0 H SER A 43 -44.588 32.046 18.432 1.00 0.00 H new ATOM 0 HA SER A 43 -43.086 33.712 20.138 1.00 0.00 H new ATOM 0 HB2 SER A 43 -41.907 31.847 19.311 1.00 0.00 H new ATOM 0 HB3 SER A 43 -42.606 31.980 17.710 1.00 0.00 H new ATOM 0 HG SER A 43 -40.248 32.732 18.207 1.00 0.00 H new ATOM 688 N ASN A 44 -43.836 34.968 17.214 1.00 0.00 N ATOM 689 CA ASN A 44 -43.775 36.184 16.412 1.00 0.00 C ATOM 690 C ASN A 44 -42.529 36.179 15.526 1.00 0.00 C ATOM 691 O ASN A 44 -42.202 37.183 14.895 1.00 0.00 O ATOM 692 CB ASN A 44 -43.749 37.413 17.325 1.00 0.00 C ATOM 693 CG ASN A 44 -44.628 37.172 18.548 1.00 0.00 C ATOM 694 OD1 ASN A 44 -44.346 37.692 19.629 1.00 0.00 O ATOM 695 ND2 ASN A 44 -45.682 36.410 18.443 1.00 0.00 N ATOM 0 H ASN A 44 -44.465 34.250 16.854 1.00 0.00 H new ATOM 0 HA ASN A 44 -44.660 36.223 15.777 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -42.726 37.623 17.638 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -44.102 38.289 16.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -46.274 36.244 19.257 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -45.914 35.981 17.547 1.00 0.00 H new ATOM 702 N GLY A 45 -41.841 35.040 15.481 1.00 0.00 N ATOM 703 CA GLY A 45 -40.635 34.917 14.665 1.00 0.00 C ATOM 704 C GLY A 45 -39.370 35.009 15.515 1.00 0.00 C ATOM 705 O GLY A 45 -38.274 35.207 14.992 1.00 0.00 O ATOM 0 H GLY A 45 -42.095 34.196 15.995 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -40.649 33.965 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -40.624 35.703 13.909 1.00 0.00 H new ATOM 709 N ASN A 46 -39.530 34.861 16.825 1.00 0.00 N ATOM 710 CA ASN A 46 -38.393 34.927 17.739 1.00 0.00 C ATOM 711 C ASN A 46 -38.013 33.528 18.229 1.00 0.00 C ATOM 712 O ASN A 46 -38.871 32.755 18.646 1.00 0.00 O ATOM 713 CB ASN A 46 -38.733 35.820 18.929 1.00 0.00 C ATOM 714 CG ASN A 46 -37.961 37.131 18.836 1.00 0.00 C ATOM 715 OD1 ASN A 46 -37.193 37.466 19.738 1.00 0.00 O ATOM 716 ND2 ASN A 46 -38.121 37.898 17.792 1.00 0.00 N ATOM 0 H ASN A 46 -40.429 34.696 17.277 1.00 0.00 H new ATOM 0 HA ASN A 46 -37.543 35.350 17.204 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -39.804 36.020 18.949 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -38.487 35.309 19.860 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -37.609 38.777 17.722 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -38.758 37.618 17.046 1.00 0.00 H new ATOM 723 N LEU A 47 -36.723 33.210 18.151 1.00 0.00 N ATOM 724 CA LEU A 47 -36.221 31.893 18.562 1.00 0.00 C ATOM 725 C LEU A 47 -36.081 31.781 20.086 1.00 0.00 C ATOM 726 O LEU A 47 -36.702 30.923 20.708 1.00 0.00 O ATOM 727 CB LEU A 47 -34.850 31.656 17.909 1.00 0.00 C ATOM 728 CG LEU A 47 -34.627 30.165 17.596 1.00 0.00 C ATOM 729 CD1 LEU A 47 -34.775 29.326 18.865 1.00 0.00 C ATOM 730 CD2 LEU A 47 -35.635 29.681 16.548 1.00 0.00 C ATOM 0 H LEU A 47 -36.002 33.845 17.807 1.00 0.00 H new ATOM 0 HA LEU A 47 -36.941 31.141 18.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -34.778 32.237 16.990 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -34.062 32.012 18.573 1.00 0.00 H new ATOM 0 HG LEU A 47 -33.617 30.049 17.203 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -34.614 28.275 18.627 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -34.039 29.648 19.602 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -35.777 29.457 19.273 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -35.463 28.625 16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -36.648 29.816 16.928 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -35.512 30.258 15.631 1.00 0.00 H new ATOM 742 N GLU A 48 -35.241 32.628 20.676 1.00 0.00 N ATOM 743 CA GLU A 48 -35.000 32.588 22.122 1.00 0.00 C ATOM 744 C GLU A 48 -36.289 32.675 22.934 1.00 0.00 C ATOM 745 O GLU A 48 -36.347 32.195 24.069 1.00 0.00 O ATOM 746 CB GLU A 48 -34.079 33.735 22.531 1.00 0.00 C ATOM 747 CG GLU A 48 -32.657 33.203 22.701 1.00 0.00 C ATOM 748 CD GLU A 48 -31.717 34.335 23.100 1.00 0.00 C ATOM 749 OE1 GLU A 48 -31.390 35.137 22.241 1.00 0.00 O ATOM 750 OE2 GLU A 48 -31.340 34.383 24.259 1.00 0.00 O ATOM 0 H GLU A 48 -34.716 33.349 20.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -34.533 31.627 22.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -34.098 34.520 21.775 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -34.427 34.182 23.463 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -32.641 32.422 23.461 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -32.317 32.749 21.770 1.00 0.00 H new ATOM 757 N LEU A 49 -37.315 33.275 22.367 1.00 0.00 N ATOM 758 CA LEU A 49 -38.577 33.400 23.081 1.00 0.00 C ATOM 759 C LEU A 49 -39.450 32.174 22.823 1.00 0.00 C ATOM 760 O LEU A 49 -40.273 31.806 23.660 1.00 0.00 O ATOM 761 CB LEU A 49 -39.286 34.701 22.681 1.00 0.00 C ATOM 762 CG LEU A 49 -40.672 34.413 22.129 1.00 0.00 C ATOM 763 CD1 LEU A 49 -41.398 35.729 21.848 1.00 0.00 C ATOM 764 CD2 LEU A 49 -40.526 33.623 20.838 1.00 0.00 C ATOM 0 H LEU A 49 -37.306 33.679 21.430 1.00 0.00 H new ATOM 0 HA LEU A 49 -38.383 33.448 24.153 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -39.364 35.359 23.547 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -38.694 35.228 21.933 1.00 0.00 H new ATOM 0 HG LEU A 49 -41.249 33.839 22.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -42.392 35.519 21.452 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -41.489 36.299 22.773 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -40.832 36.308 21.119 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -41.513 33.408 20.429 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -39.954 34.207 20.117 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -40.006 32.687 21.041 1.00 0.00 H new ATOM 776 N ALA A 50 -39.242 31.516 21.685 1.00 0.00 N ATOM 777 CA ALA A 50 -39.998 30.308 21.390 1.00 0.00 C ATOM 778 C ALA A 50 -39.354 29.170 22.156 1.00 0.00 C ATOM 779 O ALA A 50 -39.993 28.500 22.959 1.00 0.00 O ATOM 780 CB ALA A 50 -40.003 30.001 19.894 1.00 0.00 C ATOM 0 H ALA A 50 -38.571 31.793 20.968 1.00 0.00 H new ATOM 0 HA ALA A 50 -41.037 30.443 21.690 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -40.577 29.092 19.711 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -40.457 30.832 19.354 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -38.979 29.859 19.548 1.00 0.00 H new ATOM 786 N VAL A 51 -38.057 28.991 21.961 1.00 0.00 N ATOM 787 CA VAL A 51 -37.362 27.971 22.711 1.00 0.00 C ATOM 788 C VAL A 51 -37.838 28.083 24.137 1.00 0.00 C ATOM 789 O VAL A 51 -38.072 27.092 24.825 1.00 0.00 O ATOM 790 CB VAL A 51 -35.859 28.216 22.675 1.00 0.00 C ATOM 791 CG1 VAL A 51 -35.539 29.502 23.431 1.00 0.00 C ATOM 792 CG2 VAL A 51 -35.138 27.048 23.340 1.00 0.00 C ATOM 0 H VAL A 51 -37.483 29.524 21.308 1.00 0.00 H new ATOM 0 HA VAL A 51 -37.561 26.986 22.289 1.00 0.00 H new ATOM 0 HB VAL A 51 -35.529 28.307 21.640 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -34.464 29.680 23.407 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -36.056 30.339 22.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -35.868 29.407 24.466 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -34.062 27.222 23.315 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -35.467 26.959 24.375 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -35.369 26.126 22.806 1.00 0.00 H new ATOM 802 N ALA A 52 -37.983 29.333 24.557 1.00 0.00 N ATOM 803 CA ALA A 52 -38.437 29.643 25.890 1.00 0.00 C ATOM 804 C ALA A 52 -39.872 29.163 26.089 1.00 0.00 C ATOM 805 O ALA A 52 -40.233 28.728 27.177 1.00 0.00 O ATOM 806 CB ALA A 52 -38.333 31.148 26.110 1.00 0.00 C ATOM 0 H ALA A 52 -37.788 30.151 23.980 1.00 0.00 H new ATOM 0 HA ALA A 52 -37.811 29.129 26.620 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -38.674 31.393 27.116 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -37.296 31.462 25.992 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -38.954 31.666 25.380 1.00 0.00 H new ATOM 812 N PHE A 53 -40.687 29.208 25.033 1.00 0.00 N ATOM 813 CA PHE A 53 -42.062 28.733 25.150 1.00 0.00 C ATOM 814 C PHE A 53 -42.030 27.310 25.684 1.00 0.00 C ATOM 815 O PHE A 53 -42.926 26.870 26.405 1.00 0.00 O ATOM 816 CB PHE A 53 -42.756 28.733 23.779 1.00 0.00 C ATOM 817 CG PHE A 53 -43.798 29.818 23.692 1.00 0.00 C ATOM 818 CD1 PHE A 53 -43.422 31.125 23.364 1.00 0.00 C ATOM 819 CD2 PHE A 53 -45.146 29.509 23.907 1.00 0.00 C ATOM 820 CE1 PHE A 53 -44.392 32.126 23.253 1.00 0.00 C ATOM 821 CE2 PHE A 53 -46.118 30.510 23.799 1.00 0.00 C ATOM 822 CZ PHE A 53 -45.742 31.818 23.470 1.00 0.00 C ATOM 0 H PHE A 53 -40.426 29.559 24.111 1.00 0.00 H new ATOM 0 HA PHE A 53 -42.614 29.392 25.820 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -42.014 28.875 22.993 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -43.222 27.763 23.605 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -42.382 31.361 23.196 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -45.436 28.499 24.156 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -44.101 33.135 23.000 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -47.158 30.274 23.969 1.00 0.00 H new ATOM 0 HZ PHE A 53 -46.492 32.590 23.383 1.00 0.00 H new ATOM 832 N LEU A 54 -40.980 26.597 25.292 1.00 0.00 N ATOM 833 CA LEU A 54 -40.791 25.216 25.685 1.00 0.00 C ATOM 834 C LEU A 54 -40.051 25.127 27.017 1.00 0.00 C ATOM 835 O LEU A 54 -40.501 24.460 27.948 1.00 0.00 O ATOM 836 CB LEU A 54 -39.979 24.497 24.603 1.00 0.00 C ATOM 837 CG LEU A 54 -40.791 24.402 23.295 1.00 0.00 C ATOM 838 CD1 LEU A 54 -41.603 25.677 23.053 1.00 0.00 C ATOM 839 CD2 LEU A 54 -39.844 24.191 22.109 1.00 0.00 C ATOM 0 H LEU A 54 -40.240 26.964 24.694 1.00 0.00 H new ATOM 0 HA LEU A 54 -41.767 24.746 25.801 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -39.047 25.033 24.422 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -39.710 23.498 24.945 1.00 0.00 H new ATOM 0 HG LEU A 54 -41.475 23.559 23.389 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -42.165 25.580 22.124 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -42.295 25.830 23.881 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -40.928 26.530 22.982 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -40.423 24.125 21.188 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -39.152 25.030 22.042 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -39.282 23.268 22.252 1.00 0.00 H new ATOM 851 N THR A 55 -38.907 25.802 27.095 1.00 0.00 N ATOM 852 CA THR A 55 -38.102 25.790 28.313 1.00 0.00 C ATOM 853 C THR A 55 -38.802 26.571 29.417 1.00 0.00 C ATOM 854 O THR A 55 -38.839 26.135 30.567 1.00 0.00 O ATOM 855 CB THR A 55 -36.725 26.404 28.046 1.00 0.00 C ATOM 856 OG1 THR A 55 -36.812 27.819 28.140 1.00 0.00 O ATOM 857 CG2 THR A 55 -36.244 26.012 26.647 1.00 0.00 C ATOM 0 H THR A 55 -38.519 26.360 26.335 1.00 0.00 H new ATOM 0 HA THR A 55 -37.977 24.755 28.631 1.00 0.00 H new ATOM 0 HB THR A 55 -36.016 26.032 28.785 1.00 0.00 H new ATOM 0 HG1 THR A 55 -35.931 28.213 27.971 1.00 0.00 H new ATOM 0 HG21 THR A 55 -35.264 26.452 26.463 1.00 0.00 H new ATOM 0 HG22 THR A 55 -36.174 24.927 26.577 1.00 0.00 H new ATOM 0 HG23 THR A 55 -36.952 26.378 25.903 1.00 0.00 H new ATOM 1533 N ASP A 101 37.651 -6.654 -4.029 1.00 0.00 N ATOM 1534 CA ASP A 101 38.270 -5.660 -3.160 1.00 0.00 C ATOM 1535 C ASP A 101 39.650 -6.123 -2.702 1.00 0.00 C ATOM 1536 O ASP A 101 40.550 -5.307 -2.491 1.00 0.00 O ATOM 1537 CB ASP A 101 37.382 -5.416 -1.938 1.00 0.00 C ATOM 1538 CG ASP A 101 37.162 -3.920 -1.744 1.00 0.00 C ATOM 1539 OD1 ASP A 101 36.225 -3.397 -2.324 1.00 0.00 O ATOM 1540 OD2 ASP A 101 37.935 -3.317 -1.016 1.00 0.00 O ATOM 0 HA ASP A 101 38.383 -4.734 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.424 -5.919 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.847 -5.842 -1.049 1.00 0.00 H new ATOM 1545 N LEU A 102 39.816 -7.432 -2.541 1.00 0.00 N ATOM 1546 CA LEU A 102 41.097 -7.966 -2.098 1.00 0.00 C ATOM 1547 C LEU A 102 42.162 -7.718 -3.143 1.00 0.00 C ATOM 1548 O LEU A 102 43.323 -7.472 -2.818 1.00 0.00 O ATOM 1549 CB LEU A 102 40.980 -9.462 -1.790 1.00 0.00 C ATOM 1550 CG LEU A 102 41.147 -10.274 -3.079 1.00 0.00 C ATOM 1551 CD1 LEU A 102 42.632 -10.548 -3.355 1.00 0.00 C ATOM 1552 CD2 LEU A 102 40.408 -11.606 -2.933 1.00 0.00 C ATOM 0 H LEU A 102 39.093 -8.132 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 102 41.387 -7.451 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 102 41.740 -9.754 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.011 -9.675 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 102 40.734 -9.703 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.731 -11.126 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 102 43.163 -9.602 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 102 43.058 -11.111 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 102 40.523 -12.188 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 40.824 -12.163 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 102 39.349 -11.417 -2.754 1.00 0.00 H new ATOM 1564 N GLN A 103 41.757 -7.744 -4.394 1.00 0.00 N ATOM 1565 CA GLN A 103 42.687 -7.477 -5.474 1.00 0.00 C ATOM 1566 C GLN A 103 43.286 -6.100 -5.247 1.00 0.00 C ATOM 1567 O GLN A 103 44.348 -5.760 -5.774 1.00 0.00 O ATOM 1568 CB GLN A 103 41.955 -7.505 -6.813 1.00 0.00 C ATOM 1569 CG GLN A 103 42.733 -8.371 -7.806 1.00 0.00 C ATOM 1570 CD GLN A 103 44.092 -7.744 -8.096 1.00 0.00 C ATOM 1571 OE1 GLN A 103 45.101 -8.446 -8.157 1.00 0.00 O ATOM 1572 NE2 GLN A 103 44.180 -6.455 -8.279 1.00 0.00 N ATOM 0 H GLN A 103 40.801 -7.945 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 103 43.470 -8.236 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.948 -7.901 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.850 -6.492 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.866 -9.374 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 103 42.167 -8.475 -8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 103 43.343 -5.874 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 103 45.086 -6.028 -8.473 1.00 0.00 H new ATOM 1581 N ARG A 104 42.586 -5.322 -4.431 1.00 0.00 N ATOM 1582 CA ARG A 104 43.026 -3.974 -4.101 1.00 0.00 C ATOM 1583 C ARG A 104 43.973 -4.008 -2.910 1.00 0.00 C ATOM 1584 O ARG A 104 44.851 -3.155 -2.773 1.00 0.00 O ATOM 1585 CB ARG A 104 41.816 -3.097 -3.772 1.00 0.00 C ATOM 1586 CG ARG A 104 42.140 -1.635 -4.085 1.00 0.00 C ATOM 1587 CD ARG A 104 40.849 -0.814 -4.086 1.00 0.00 C ATOM 1588 NE ARG A 104 40.521 -0.391 -5.442 1.00 0.00 N ATOM 1589 CZ ARG A 104 41.209 0.571 -6.048 1.00 0.00 C ATOM 1590 NH1 ARG A 104 42.198 1.155 -5.428 1.00 0.00 N ATOM 1591 NH2 ARG A 104 40.896 0.932 -7.263 1.00 0.00 N ATOM 0 H ARG A 104 41.712 -5.602 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 104 43.551 -3.556 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.952 -3.420 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.552 -3.204 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.835 -1.239 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.632 -1.560 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.032 -1.407 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.964 0.059 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 104 39.750 -0.841 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 104 42.443 0.873 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 104 42.726 1.893 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 104 40.123 0.476 -7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 104 41.424 1.670 -7.728 1.00 0.00 H new ATOM 1605 N ALA A 105 43.782 -4.999 -2.047 1.00 0.00 N ATOM 1606 CA ALA A 105 44.619 -5.139 -0.862 1.00 0.00 C ATOM 1607 C ALA A 105 46.081 -5.367 -1.241 1.00 0.00 C ATOM 1608 O ALA A 105 46.961 -4.600 -0.839 1.00 0.00 O ATOM 1609 CB ALA A 105 44.125 -6.312 -0.012 1.00 0.00 C ATOM 0 H ALA A 105 43.060 -5.713 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 105 44.551 -4.213 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.755 -6.411 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.095 -6.131 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.173 -7.231 -0.597 1.00 0.00 H new ATOM 1615 N ILE A 106 46.345 -6.421 -2.010 1.00 0.00 N ATOM 1616 CA ILE A 106 47.717 -6.717 -2.411 1.00 0.00 C ATOM 1617 C ILE A 106 48.206 -5.710 -3.431 1.00 0.00 C ATOM 1618 O ILE A 106 49.374 -5.325 -3.428 1.00 0.00 O ATOM 1619 CB ILE A 106 47.854 -8.140 -2.967 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.493 -8.673 -3.417 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.418 -9.056 -1.881 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.020 -7.886 -4.638 1.00 0.00 C ATOM 0 H ILE A 106 45.643 -7.072 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 106 48.337 -6.647 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 106 48.526 -8.118 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.567 -9.733 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.768 -8.581 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.516 -10.068 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.397 -8.691 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 106 47.744 -9.063 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.050 -8.264 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.930 -6.831 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.742 -8.001 -5.447 1.00 0.00 H new ATOM 1634 N ALA A 107 47.306 -5.274 -4.285 1.00 0.00 N ATOM 1635 CA ALA A 107 47.658 -4.289 -5.293 1.00 0.00 C ATOM 1636 C ALA A 107 48.212 -3.045 -4.607 1.00 0.00 C ATOM 1637 O ALA A 107 49.310 -2.580 -4.921 1.00 0.00 O ATOM 1638 CB ALA A 107 46.436 -3.920 -6.132 1.00 0.00 C ATOM 0 H ALA A 107 46.333 -5.580 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 107 48.414 -4.711 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.719 -3.181 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.052 -4.812 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.663 -3.504 -5.486 1.00 0.00 H new ATOM 1644 N LEU A 108 47.448 -2.527 -3.648 1.00 0.00 N ATOM 1645 CA LEU A 108 47.876 -1.354 -2.900 1.00 0.00 C ATOM 1646 C LEU A 108 49.291 -1.567 -2.385 1.00 0.00 C ATOM 1647 O LEU A 108 50.112 -0.650 -2.386 1.00 0.00 O ATOM 1648 CB LEU A 108 46.929 -1.111 -1.721 1.00 0.00 C ATOM 1649 CG LEU A 108 47.601 -0.187 -0.705 1.00 0.00 C ATOM 1650 CD1 LEU A 108 46.564 0.782 -0.134 1.00 0.00 C ATOM 1651 CD2 LEU A 108 48.191 -1.026 0.431 1.00 0.00 C ATOM 0 H LEU A 108 46.538 -2.899 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 108 47.856 -0.484 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.999 -0.665 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 108 46.669 -2.059 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 108 48.395 0.376 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 108 47.042 1.441 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 108 46.139 1.378 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.771 0.218 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 108 48.671 -0.369 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 108 47.395 -1.587 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 108 48.928 -1.719 0.026 1.00 0.00 H new ATOM 1663 N SER A 109 49.573 -2.794 -1.954 1.00 0.00 N ATOM 1664 CA SER A 109 50.898 -3.125 -1.448 1.00 0.00 C ATOM 1665 C SER A 109 51.907 -3.140 -2.586 1.00 0.00 C ATOM 1666 O SER A 109 53.014 -2.619 -2.452 1.00 0.00 O ATOM 1667 CB SER A 109 50.877 -4.490 -0.764 1.00 0.00 C ATOM 1668 OG SER A 109 51.906 -5.304 -1.310 1.00 0.00 O ATOM 0 H SER A 109 48.908 -3.567 -1.945 1.00 0.00 H new ATOM 0 HA SER A 109 51.190 -2.366 -0.722 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.021 -4.374 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 109 49.907 -4.966 -0.906 1.00 0.00 H new ATOM 0 HG SER A 109 51.897 -6.181 -0.872 1.00 0.00 H new ATOM 1674 N LEU A 110 51.516 -3.724 -3.712 1.00 0.00 N ATOM 1675 CA LEU A 110 52.399 -3.776 -4.864 1.00 0.00 C ATOM 1676 C LEU A 110 52.969 -2.391 -5.114 1.00 0.00 C ATOM 1677 O LEU A 110 53.989 -2.232 -5.784 1.00 0.00 O ATOM 1678 CB LEU A 110 51.627 -4.241 -6.097 1.00 0.00 C ATOM 1679 CG LEU A 110 51.894 -5.729 -6.338 1.00 0.00 C ATOM 1680 CD1 LEU A 110 51.260 -6.549 -5.213 1.00 0.00 C ATOM 1681 CD2 LEU A 110 51.281 -6.143 -7.677 1.00 0.00 C ATOM 0 H LEU A 110 50.605 -4.162 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 110 53.207 -4.481 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.560 -4.071 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.930 -3.661 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 110 52.969 -5.909 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 110 51.450 -7.609 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 110 51.693 -6.252 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 110 50.185 -6.371 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 110 51.470 -7.202 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 110 50.206 -5.964 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 110 51.730 -5.558 -8.479 1.00 0.00 H new ATOM 1693 N ALA A 111 52.295 -1.390 -4.556 1.00 0.00 N ATOM 1694 CA ALA A 111 52.732 -0.007 -4.705 1.00 0.00 C ATOM 1695 C ALA A 111 53.708 0.364 -3.596 1.00 0.00 C ATOM 1696 O ALA A 111 54.845 0.756 -3.860 1.00 0.00 O ATOM 1697 CB ALA A 111 51.525 0.928 -4.658 1.00 0.00 C ATOM 0 H ALA A 111 51.449 -1.510 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 111 53.234 0.097 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.859 1.959 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.840 0.679 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 111 51.013 0.814 -3.702 1.00 0.00 H new ATOM 1703 N GLU A 112 53.258 0.232 -2.351 1.00 0.00 N ATOM 1704 CA GLU A 112 54.105 0.551 -1.209 1.00 0.00 C ATOM 1705 C GLU A 112 55.475 -0.091 -1.383 1.00 0.00 C ATOM 1706 O GLU A 112 56.457 0.333 -0.773 1.00 0.00 O ATOM 1707 CB GLU A 112 53.459 0.045 0.082 1.00 0.00 C ATOM 1708 CG GLU A 112 52.555 1.135 0.661 1.00 0.00 C ATOM 1709 CD GLU A 112 53.392 2.156 1.426 1.00 0.00 C ATOM 1710 OE1 GLU A 112 53.837 1.832 2.515 1.00 0.00 O ATOM 1711 OE2 GLU A 112 53.575 3.247 0.912 1.00 0.00 O ATOM 0 H GLU A 112 52.321 -0.091 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 112 54.221 1.633 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 112 52.878 -0.856 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.229 -0.226 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 112 52.008 1.629 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.814 0.690 1.325 1.00 0.00 H new ATOM 1718 N SER A 113 55.531 -1.112 -2.228 1.00 0.00 N ATOM 1719 CA SER A 113 56.783 -1.806 -2.488 1.00 0.00 C ATOM 1720 C SER A 113 57.527 -1.128 -3.631 1.00 0.00 C ATOM 1721 O SER A 113 58.702 -0.782 -3.499 1.00 0.00 O ATOM 1722 CB SER A 113 56.511 -3.268 -2.841 1.00 0.00 C ATOM 1723 OG SER A 113 56.654 -4.065 -1.673 1.00 0.00 O ATOM 0 H SER A 113 54.728 -1.476 -2.742 1.00 0.00 H new ATOM 0 HA SER A 113 57.399 -1.768 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 113 55.506 -3.375 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 113 57.205 -3.604 -3.612 1.00 0.00 H new ATOM 0 HG SER A 113 56.479 -5.004 -1.894 1.00 0.00 H new ATOM 1902 N GLU A 125 78.252 -6.688 -4.075 1.00 0.00 N ATOM 1903 CA GLU A 125 79.323 -7.565 -3.616 1.00 0.00 C ATOM 1904 C GLU A 125 79.554 -8.694 -4.613 1.00 0.00 C ATOM 1905 O GLU A 125 80.665 -8.882 -5.107 1.00 0.00 O ATOM 1906 CB GLU A 125 78.968 -8.152 -2.248 1.00 0.00 C ATOM 1907 CG GLU A 125 80.251 -8.533 -1.507 1.00 0.00 C ATOM 1908 CD GLU A 125 81.000 -7.275 -1.080 1.00 0.00 C ATOM 1909 OE1 GLU A 125 80.347 -6.271 -0.844 1.00 0.00 O ATOM 1910 OE2 GLU A 125 82.215 -7.333 -0.994 1.00 0.00 O ATOM 0 HA GLU A 125 80.237 -6.978 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 125 78.401 -7.426 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 125 78.332 -9.029 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 125 80.010 -9.137 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 125 80.885 -9.143 -2.151 1.00 0.00 H new ATOM 1917 N GLU A 126 78.495 -9.443 -4.906 1.00 0.00 N ATOM 1918 CA GLU A 126 78.593 -10.550 -5.848 1.00 0.00 C ATOM 1919 C GLU A 126 79.194 -10.074 -7.167 1.00 0.00 C ATOM 1920 O GLU A 126 80.014 -10.763 -7.771 1.00 0.00 O ATOM 1921 CB GLU A 126 77.205 -11.147 -6.100 1.00 0.00 C ATOM 1922 CG GLU A 126 77.158 -12.582 -5.567 1.00 0.00 C ATOM 1923 CD GLU A 126 78.009 -13.491 -6.446 1.00 0.00 C ATOM 1924 OE1 GLU A 126 79.114 -13.095 -6.781 1.00 0.00 O ATOM 1925 OE2 GLU A 126 77.545 -14.571 -6.771 1.00 0.00 O ATOM 0 H GLU A 126 77.566 -9.304 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 126 79.242 -11.314 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 126 76.443 -10.541 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 126 76.982 -11.137 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 126 77.523 -12.610 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 126 76.128 -12.939 -5.549 1.00 0.00 H new ATOM 1932 N GLN A 127 78.781 -8.889 -7.605 1.00 0.00 N ATOM 1933 CA GLN A 127 79.285 -8.326 -8.851 1.00 0.00 C ATOM 1934 C GLN A 127 80.762 -7.966 -8.716 1.00 0.00 C ATOM 1935 O GLN A 127 81.495 -7.929 -9.703 1.00 0.00 O ATOM 1936 CB GLN A 127 78.488 -7.071 -9.217 1.00 0.00 C ATOM 1937 CG GLN A 127 78.281 -7.009 -10.731 1.00 0.00 C ATOM 1938 CD GLN A 127 76.940 -7.633 -11.098 1.00 0.00 C ATOM 1939 OE1 GLN A 127 76.046 -6.942 -11.587 1.00 0.00 O ATOM 1940 NE2 GLN A 127 76.742 -8.906 -10.889 1.00 0.00 N ATOM 0 H GLN A 127 78.102 -8.303 -7.118 1.00 0.00 H new ATOM 0 HA GLN A 127 79.172 -9.073 -9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 127 77.523 -7.081 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 127 79.018 -6.181 -8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 127 78.315 -5.973 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 127 79.088 -7.536 -11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 127 77.483 -9.478 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 127 75.846 -9.329 -11.131 1.00 0.00 H new ATOM 1949 N ALA A 128 81.187 -7.699 -7.485 1.00 0.00 N ATOM 1950 CA ALA A 128 82.578 -7.339 -7.227 1.00 0.00 C ATOM 1951 C ALA A 128 83.475 -8.571 -7.293 1.00 0.00 C ATOM 1952 O ALA A 128 84.427 -8.617 -8.073 1.00 0.00 O ATOM 1953 CB ALA A 128 82.697 -6.693 -5.847 1.00 0.00 C ATOM 0 H ALA A 128 80.594 -7.725 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 128 82.899 -6.632 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 128 83.737 -6.426 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 128 82.080 -5.795 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 128 82.359 -7.396 -5.086 1.00 0.00 H new ATOM 1959 N ILE A 129 83.166 -9.563 -6.467 1.00 0.00 N ATOM 1960 CA ILE A 129 83.950 -10.793 -6.434 1.00 0.00 C ATOM 1961 C ILE A 129 84.060 -11.399 -7.829 1.00 0.00 C ATOM 1962 O ILE A 129 85.140 -11.808 -8.254 1.00 0.00 O ATOM 1963 CB ILE A 129 83.293 -11.800 -5.488 1.00 0.00 C ATOM 1964 CG1 ILE A 129 82.918 -11.098 -4.181 1.00 0.00 C ATOM 1965 CG2 ILE A 129 84.268 -12.940 -5.192 1.00 0.00 C ATOM 1966 CD1 ILE A 129 82.231 -12.094 -3.245 1.00 0.00 C ATOM 0 H ILE A 129 82.383 -9.541 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 129 84.952 -10.555 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 129 82.396 -12.205 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 129 83.811 -10.692 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 129 82.255 -10.257 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 129 83.797 -13.656 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 129 84.536 -13.440 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 129 85.167 -12.538 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 129 81.964 -11.594 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 129 81.329 -12.479 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 129 82.909 -12.920 -3.031 1.00 0.00 H new ATOM 1978 N SER A 130 82.936 -11.453 -8.533 1.00 0.00 N ATOM 1979 CA SER A 130 82.919 -12.014 -9.880 1.00 0.00 C ATOM 1980 C SER A 130 83.843 -11.225 -10.804 1.00 0.00 C ATOM 1981 O SER A 130 84.842 -11.751 -11.293 1.00 0.00 O ATOM 1982 CB SER A 130 81.496 -11.989 -10.437 1.00 0.00 C ATOM 1983 OG SER A 130 81.549 -11.876 -11.854 1.00 0.00 O ATOM 0 H SER A 130 82.032 -11.119 -8.199 1.00 0.00 H new ATOM 0 HA SER A 130 83.272 -13.044 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 130 80.966 -12.898 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 130 80.942 -11.151 -10.014 1.00 0.00 H new ATOM 0 HG SER A 130 80.638 -11.861 -12.215 1.00 0.00 H new ATOM 1989 N ARG A 131 83.501 -9.963 -11.039 1.00 0.00 N ATOM 1990 CA ARG A 131 84.306 -9.111 -11.908 1.00 0.00 C ATOM 1991 C ARG A 131 85.794 -9.381 -11.699 1.00 0.00 C ATOM 1992 O ARG A 131 86.536 -9.587 -12.659 1.00 0.00 O ATOM 1993 CB ARG A 131 84.006 -7.638 -11.622 1.00 0.00 C ATOM 1994 CG ARG A 131 82.711 -7.234 -12.329 1.00 0.00 C ATOM 1995 CD ARG A 131 82.444 -5.745 -12.093 1.00 0.00 C ATOM 1996 NE ARG A 131 82.721 -4.982 -13.307 1.00 0.00 N ATOM 1997 CZ ARG A 131 81.740 -4.592 -14.116 1.00 0.00 C ATOM 1998 NH1 ARG A 131 80.500 -4.891 -13.837 1.00 0.00 N ATOM 1999 NH2 ARG A 131 82.017 -3.909 -15.193 1.00 0.00 N ATOM 0 H ARG A 131 82.678 -9.509 -10.643 1.00 0.00 H new ATOM 0 HA ARG A 131 84.051 -9.338 -12.943 1.00 0.00 H new ATOM 0 HB2 ARG A 131 83.912 -7.477 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 131 84.831 -7.014 -11.967 1.00 0.00 H new ATOM 0 HG2 ARG A 131 82.789 -7.436 -13.397 1.00 0.00 H new ATOM 0 HG3 ARG A 131 81.878 -7.828 -11.953 1.00 0.00 H new ATOM 0 HD2 ARG A 131 81.407 -5.598 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 131 83.068 -5.382 -11.277 1.00 0.00 H new ATOM 0 HE ARG A 131 83.685 -4.744 -13.539 1.00 0.00 H new ATOM 0 HH11 ARG A 131 80.281 -5.425 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 131 79.750 -4.590 -14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 131 82.985 -3.675 -15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 131 81.266 -3.609 -15.814 1.00 0.00 H new ATOM 2013 N VAL A 132 86.221 -9.375 -10.440 1.00 0.00 N ATOM 2014 CA VAL A 132 87.624 -9.619 -10.119 1.00 0.00 C ATOM 2015 C VAL A 132 88.067 -10.983 -10.638 1.00 0.00 C ATOM 2016 O VAL A 132 89.082 -11.099 -11.325 1.00 0.00 O ATOM 2017 CB VAL A 132 87.833 -9.561 -8.605 1.00 0.00 C ATOM 2018 CG1 VAL A 132 89.319 -9.735 -8.288 1.00 0.00 C ATOM 2019 CG2 VAL A 132 87.355 -8.207 -8.077 1.00 0.00 C ATOM 0 H VAL A 132 85.622 -9.206 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 132 88.223 -8.846 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 132 87.264 -10.359 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 132 89.468 -9.694 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 132 89.661 -10.699 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 132 89.888 -8.937 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 132 87.503 -8.164 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 132 87.925 -7.409 -8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 132 86.296 -8.082 -8.303 1.00 0.00 H new ATOM 2029 N LEU A 133 87.299 -12.014 -10.300 1.00 0.00 N ATOM 2030 CA LEU A 133 87.621 -13.369 -10.731 1.00 0.00 C ATOM 2031 C LEU A 133 88.044 -13.384 -12.196 1.00 0.00 C ATOM 2032 O LEU A 133 89.140 -13.832 -12.529 1.00 0.00 O ATOM 2033 CB LEU A 133 86.408 -14.281 -10.534 1.00 0.00 C ATOM 2034 CG LEU A 133 86.595 -15.108 -9.261 1.00 0.00 C ATOM 2035 CD1 LEU A 133 85.292 -15.838 -8.929 1.00 0.00 C ATOM 2036 CD2 LEU A 133 87.711 -16.133 -9.481 1.00 0.00 C ATOM 0 H LEU A 133 86.455 -11.938 -9.733 1.00 0.00 H new ATOM 0 HA LEU A 133 88.451 -13.734 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 133 85.499 -13.684 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 133 86.291 -14.940 -11.395 1.00 0.00 H new ATOM 0 HG LEU A 133 86.862 -14.449 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 133 85.426 -16.427 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 133 84.496 -15.110 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 133 85.024 -16.498 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 133 87.846 -16.724 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 133 87.442 -16.792 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 133 88.640 -15.614 -9.718 1.00 0.00 H new ATOM 2048 N GLU A 134 87.167 -12.895 -13.066 1.00 0.00 N ATOM 2049 CA GLU A 134 87.464 -12.861 -14.494 1.00 0.00 C ATOM 2050 C GLU A 134 88.798 -12.166 -14.748 1.00 0.00 C ATOM 2051 O GLU A 134 89.706 -12.744 -15.347 1.00 0.00 O ATOM 2052 CB GLU A 134 86.352 -12.124 -15.242 1.00 0.00 C ATOM 2053 CG GLU A 134 86.412 -12.486 -16.727 1.00 0.00 C ATOM 2054 CD GLU A 134 87.619 -11.817 -17.377 1.00 0.00 C ATOM 2055 OE1 GLU A 134 88.094 -10.836 -16.828 1.00 0.00 O ATOM 2056 OE2 GLU A 134 88.052 -12.295 -18.412 1.00 0.00 O ATOM 0 H GLU A 134 86.253 -12.520 -12.811 1.00 0.00 H new ATOM 0 HA GLU A 134 87.527 -13.887 -14.857 1.00 0.00 H new ATOM 0 HB2 GLU A 134 85.380 -12.394 -14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 134 86.464 -11.047 -15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 134 86.478 -13.568 -16.844 1.00 0.00 H new ATOM 0 HG3 GLU A 134 85.497 -12.167 -17.225 1.00 0.00 H new ATOM 2063 N ALA A 135 88.909 -10.924 -14.291 1.00 0.00 N ATOM 2064 CA ALA A 135 90.136 -10.156 -14.477 1.00 0.00 C ATOM 2065 C ALA A 135 91.349 -10.960 -14.015 1.00 0.00 C ATOM 2066 O ALA A 135 92.463 -10.748 -14.492 1.00 0.00 O ATOM 2067 CB ALA A 135 90.057 -8.848 -13.688 1.00 0.00 C ATOM 0 H ALA A 135 88.170 -10.429 -13.792 1.00 0.00 H new ATOM 0 HA ALA A 135 90.246 -9.934 -15.539 1.00 0.00 H new ATOM 0 HB1 ALA A 135 90.976 -8.280 -13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 135 89.209 -8.261 -14.041 1.00 0.00 H new ATOM 0 HB3 ALA A 135 89.929 -9.069 -12.628 1.00 0.00 H new ATOM 2073 N SER A 136 91.123 -11.883 -13.086 1.00 0.00 N ATOM 2074 CA SER A 136 92.206 -12.714 -12.572 1.00 0.00 C ATOM 2075 C SER A 136 92.599 -13.775 -13.596 1.00 0.00 C ATOM 2076 O SER A 136 93.729 -13.791 -14.084 1.00 0.00 O ATOM 2077 CB SER A 136 91.770 -13.393 -11.272 1.00 0.00 C ATOM 2078 OG SER A 136 90.527 -12.847 -10.852 1.00 0.00 O ATOM 0 H SER A 136 90.208 -12.074 -12.677 1.00 0.00 H new ATOM 0 HA SER A 136 93.068 -12.076 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 136 91.676 -14.468 -11.424 1.00 0.00 H new ATOM 0 HB3 SER A 136 92.525 -13.245 -10.500 1.00 0.00 H new ATOM 0 HG SER A 136 90.575 -11.868 -10.875 1.00 0.00 H new