USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 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: B 5 SER OG : rot -140:sc= 0.991 USER MOD Set 1.2: B 7 LYS NZ :NH3+ -165:sc= 2.03 (180deg=0.756) USER MOD Set 2.1: A 5 SER OG : rot -150:sc= 0.898 USER MOD Set 2.2: A 7 LYS NZ :NH3+ -174:sc= 1.32 (180deg=0.204) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 9:sc= 0.253 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 22 MET CE :methyl -163:sc= -0.534 (180deg=-1.1) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0635 F(o=-2.2!,f=-0.063) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : B 22 MET CE :methyl -169:sc= -0.862 (180deg=-1.27!) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN :FLIP amide:sc= -0.107 F(o=-2.7!,f=-0.11) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -172:sc= 0.946 (180deg=0.84) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -2.895 -10.374 7.127 1.00 0.00 N ATOM 280 CA ILE A 2 -4.057 -9.602 6.843 1.00 0.00 C ATOM 281 C ILE A 2 -4.385 -9.778 5.376 1.00 0.00 C ATOM 282 O ILE A 2 -3.814 -9.124 4.507 1.00 0.00 O ATOM 283 CB ILE A 2 -3.887 -8.099 7.176 1.00 0.00 C ATOM 284 CG1 ILE A 2 -3.445 -7.923 8.641 1.00 0.00 C ATOM 285 CG2 ILE A 2 -5.211 -7.360 6.925 1.00 0.00 C ATOM 286 CD1 ILE A 2 -3.155 -6.487 9.036 1.00 0.00 C ATOM 0 HA ILE A 2 -4.868 -9.959 7.478 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.117 -7.676 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.224 -8.317 9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.551 -8.523 8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.088 -6.303 7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.495 -7.468 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.990 -7.784 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.851 -6.452 10.082 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.354 -6.093 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.052 -5.884 8.899 1.00 0.00 H new ATOM 298 N HIS A 3 -5.213 -10.730 5.100 1.00 0.00 N ATOM 299 CA HIS A 3 -5.642 -10.979 3.757 1.00 0.00 C ATOM 300 C HIS A 3 -7.106 -10.649 3.622 1.00 0.00 C ATOM 301 O HIS A 3 -7.912 -10.933 4.518 1.00 0.00 O ATOM 302 CB HIS A 3 -5.298 -12.419 3.284 1.00 0.00 C ATOM 303 CG HIS A 3 -5.792 -13.534 4.171 1.00 0.00 C ATOM 304 ND1 HIS A 3 -5.011 -14.162 5.115 1.00 0.00 N ATOM 305 CD2 HIS A 3 -6.999 -14.140 4.225 1.00 0.00 C ATOM 306 CE1 HIS A 3 -5.745 -15.108 5.700 1.00 0.00 C ATOM 307 NE2 HIS A 3 -6.969 -15.138 5.197 1.00 0.00 N ATOM 0 H HIS A 3 -5.613 -11.359 5.796 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.087 -10.322 3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.712 -12.563 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.215 -12.503 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.852 -13.890 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.388 -15.763 6.481 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.731 -15.761 5.465 1.00 0.00 H new ATOM 315 N SER A 4 -7.427 -10.012 2.563 1.00 0.00 N ATOM 316 CA SER A 4 -8.757 -9.570 2.277 1.00 0.00 C ATOM 317 C SER A 4 -8.965 -9.592 0.774 1.00 0.00 C ATOM 318 O SER A 4 -8.223 -10.263 0.073 1.00 0.00 O ATOM 319 CB SER A 4 -8.964 -8.166 2.862 1.00 0.00 C ATOM 320 OG SER A 4 -9.088 -8.216 4.277 1.00 0.00 O ATOM 0 H SER A 4 -6.753 -9.769 1.837 1.00 0.00 H new ATOM 0 HA SER A 4 -9.493 -10.231 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.124 -7.527 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.859 -7.717 2.431 1.00 0.00 H new ATOM 0 HG SER A 4 -8.881 -9.121 4.592 1.00 0.00 H new ATOM 326 N SER A 5 -9.947 -8.892 0.286 1.00 0.00 N ATOM 327 CA SER A 5 -10.228 -8.856 -1.114 1.00 0.00 C ATOM 328 C SER A 5 -10.943 -7.561 -1.451 1.00 0.00 C ATOM 329 O SER A 5 -11.363 -6.828 -0.550 1.00 0.00 O ATOM 330 CB SER A 5 -11.055 -10.089 -1.523 1.00 0.00 C ATOM 331 OG SER A 5 -12.192 -10.231 -0.700 1.00 0.00 O ATOM 0 H SER A 5 -10.578 -8.327 0.855 1.00 0.00 H new ATOM 0 HA SER A 5 -9.297 -8.888 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.365 -9.995 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.438 -10.985 -1.454 1.00 0.00 H new ATOM 0 HG SER A 5 -12.425 -11.180 -0.625 1.00 0.00 H new ATOM 337 N VAL A 6 -11.063 -7.280 -2.714 1.00 0.00 N ATOM 338 CA VAL A 6 -11.717 -6.077 -3.184 1.00 0.00 C ATOM 339 C VAL A 6 -13.144 -6.407 -3.506 1.00 0.00 C ATOM 340 O VAL A 6 -13.391 -7.357 -4.201 1.00 0.00 O ATOM 341 CB VAL A 6 -11.051 -5.561 -4.489 1.00 0.00 C ATOM 342 CG1 VAL A 6 -11.670 -4.253 -4.943 1.00 0.00 C ATOM 343 CG2 VAL A 6 -9.572 -5.398 -4.304 1.00 0.00 C ATOM 0 H VAL A 6 -10.710 -7.879 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.642 -5.314 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.226 -6.307 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.182 -3.918 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.734 -4.400 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.540 -3.500 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.127 -5.036 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.382 -4.681 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.130 -6.359 -4.041 1.00 0.00 H new ATOM 353 N LYS A 7 -14.068 -5.662 -3.017 1.00 0.00 N ATOM 354 CA LYS A 7 -15.437 -5.903 -3.386 1.00 0.00 C ATOM 355 C LYS A 7 -15.995 -4.698 -4.112 1.00 0.00 C ATOM 356 O LYS A 7 -15.330 -3.668 -4.204 1.00 0.00 O ATOM 357 CB LYS A 7 -16.343 -6.330 -2.224 1.00 0.00 C ATOM 358 CG LYS A 7 -16.147 -7.747 -1.681 1.00 0.00 C ATOM 359 CD LYS A 7 -15.038 -7.859 -0.660 1.00 0.00 C ATOM 360 CE LYS A 7 -15.107 -9.213 0.047 1.00 0.00 C ATOM 361 NZ LYS A 7 -14.890 -10.362 -0.870 1.00 0.00 N ATOM 0 H LYS A 7 -13.917 -4.889 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.428 -6.763 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.196 -5.628 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.379 -6.230 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.080 -8.086 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.933 -8.419 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.071 -7.745 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.123 -7.054 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.358 -9.241 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.081 -9.317 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.049 -11.252 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.555 -10.300 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.914 -10.340 -1.230 1.00 0.00 H new ATOM 375 N ARG A 8 -17.173 -4.820 -4.641 1.00 0.00 N ATOM 376 CA ARG A 8 -17.759 -3.758 -5.406 1.00 0.00 C ATOM 377 C ARG A 8 -18.741 -2.958 -4.562 1.00 0.00 C ATOM 378 O ARG A 8 -19.824 -3.433 -4.228 1.00 0.00 O ATOM 379 CB ARG A 8 -18.468 -4.322 -6.603 1.00 0.00 C ATOM 380 CG ARG A 8 -18.699 -3.301 -7.683 1.00 0.00 C ATOM 381 CD ARG A 8 -19.471 -3.894 -8.811 1.00 0.00 C ATOM 382 NE ARG A 8 -18.853 -5.124 -9.348 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.290 -5.243 -10.563 1.00 0.00 C ATOM 384 NH1 ARG A 8 -18.032 -4.159 -11.292 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.933 -6.444 -11.018 1.00 0.00 N ATOM 0 H ARG A 8 -17.755 -5.653 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.960 -3.092 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.883 -5.147 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.427 -4.735 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.240 -2.448 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.742 -2.927 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.483 -4.120 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.559 -3.159 -9.611 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.854 -5.949 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.262 -3.234 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.605 -4.254 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.087 -7.273 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.506 -6.534 -11.940 1.00 0.00 H new ATOM 399 N TRP A 9 -18.351 -1.772 -4.200 1.00 0.00 N ATOM 400 CA TRP A 9 -19.202 -0.875 -3.448 1.00 0.00 C ATOM 401 C TRP A 9 -19.929 -0.010 -4.458 1.00 0.00 C ATOM 402 O TRP A 9 -19.384 0.985 -4.961 1.00 0.00 O ATOM 403 CB TRP A 9 -18.350 -0.036 -2.469 1.00 0.00 C ATOM 404 CG TRP A 9 -19.083 0.904 -1.546 1.00 0.00 C ATOM 405 CD1 TRP A 9 -20.413 0.942 -1.301 1.00 0.00 C ATOM 406 CD2 TRP A 9 -18.509 1.952 -0.722 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.694 1.894 -0.381 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.572 2.544 -0.033 1.00 0.00 C ATOM 409 CE3 TRP A 9 -17.210 2.448 -0.494 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -19.404 3.589 0.847 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -17.052 3.493 0.386 1.00 0.00 C ATOM 412 CH2 TRP A 9 -18.155 4.051 1.039 1.00 0.00 C ATOM 0 H TRP A 9 -17.430 -1.390 -4.415 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.927 -1.418 -2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.766 -0.723 -1.857 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.642 0.550 -3.055 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -21.146 0.304 -1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.623 2.089 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -16.358 2.017 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -20.246 4.023 1.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -16.064 3.887 0.575 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -18.000 4.877 1.717 1.00 0.00 H new ATOM 423 N GLY A 10 -21.114 -0.451 -4.829 1.00 0.00 N ATOM 424 CA GLY A 10 -21.861 0.228 -5.840 1.00 0.00 C ATOM 425 C GLY A 10 -21.264 -0.108 -7.171 1.00 0.00 C ATOM 426 O GLY A 10 -21.228 -1.274 -7.558 1.00 0.00 O ATOM 0 H GLY A 10 -21.570 -1.276 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.908 -0.074 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.835 1.305 -5.673 1.00 0.00 H new ATOM 430 N ASN A 11 -20.771 0.872 -7.856 1.00 0.00 N ATOM 431 CA ASN A 11 -20.072 0.631 -9.100 1.00 0.00 C ATOM 432 C ASN A 11 -18.583 0.959 -8.976 1.00 0.00 C ATOM 433 O ASN A 11 -17.929 1.268 -9.973 1.00 0.00 O ATOM 434 CB ASN A 11 -20.699 1.431 -10.254 1.00 0.00 C ATOM 435 CG ASN A 11 -22.089 0.952 -10.618 1.00 0.00 C ATOM 436 OD1 ASN A 11 -23.094 1.437 -10.084 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.176 0.004 -11.517 1.00 0.00 N ATOM 0 H ASN A 11 -20.834 1.853 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.169 -0.431 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.744 2.484 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -20.055 1.360 -11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.090 -0.354 -11.794 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.330 -0.377 -11.940 1.00 0.00 H new ATOM 444 N SER A 12 -18.012 0.847 -7.780 1.00 0.00 N ATOM 445 CA SER A 12 -16.640 1.158 -7.594 1.00 0.00 C ATOM 446 C SER A 12 -16.002 0.148 -6.640 1.00 0.00 C ATOM 447 O SER A 12 -16.595 -0.211 -5.629 1.00 0.00 O ATOM 448 CB SER A 12 -16.509 2.577 -7.060 1.00 0.00 C ATOM 449 OG SER A 12 -17.087 3.507 -7.973 1.00 0.00 O ATOM 0 H SER A 12 -18.498 0.541 -6.937 1.00 0.00 H new ATOM 0 HA SER A 12 -16.116 1.098 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.002 2.655 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.458 2.818 -6.903 1.00 0.00 H new ATOM 0 HG SER A 12 -16.997 4.415 -7.616 1.00 0.00 H new ATOM 455 N PRO A 13 -14.838 -0.376 -7.003 1.00 0.00 N ATOM 456 CA PRO A 13 -14.091 -1.310 -6.165 1.00 0.00 C ATOM 457 C PRO A 13 -13.659 -0.680 -4.832 1.00 0.00 C ATOM 458 O PRO A 13 -13.092 0.423 -4.798 1.00 0.00 O ATOM 459 CB PRO A 13 -12.862 -1.677 -7.008 1.00 0.00 C ATOM 460 CG PRO A 13 -12.806 -0.693 -8.122 1.00 0.00 C ATOM 461 CD PRO A 13 -14.175 -0.116 -8.283 1.00 0.00 C ATOM 0 HA PRO A 13 -14.698 -2.173 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.953 -1.636 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.944 -2.694 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.083 0.092 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.483 -1.176 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.132 0.952 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.709 -0.586 -9.109 1.00 0.00 H new ATOM 469 N ALA A 14 -13.942 -1.368 -3.755 1.00 0.00 N ATOM 470 CA ALA A 14 -13.609 -0.909 -2.444 1.00 0.00 C ATOM 471 C ALA A 14 -13.056 -2.052 -1.609 1.00 0.00 C ATOM 472 O ALA A 14 -13.525 -3.199 -1.716 1.00 0.00 O ATOM 473 CB ALA A 14 -14.834 -0.316 -1.772 1.00 0.00 C ATOM 0 H ALA A 14 -14.415 -2.271 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.844 -0.137 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.569 0.031 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.202 0.523 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.612 -1.076 -1.698 1.00 0.00 H new ATOM 479 N VAL A 15 -12.046 -1.766 -0.827 1.00 0.00 N ATOM 480 CA VAL A 15 -11.488 -2.737 0.086 1.00 0.00 C ATOM 481 C VAL A 15 -11.811 -2.324 1.498 1.00 0.00 C ATOM 482 O VAL A 15 -11.885 -1.123 1.797 1.00 0.00 O ATOM 483 CB VAL A 15 -9.945 -2.930 -0.064 1.00 0.00 C ATOM 484 CG1 VAL A 15 -9.575 -3.493 -1.402 1.00 0.00 C ATOM 485 CG2 VAL A 15 -9.167 -1.663 0.236 1.00 0.00 C ATOM 0 H VAL A 15 -11.586 -0.856 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.940 -3.698 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.659 -3.663 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.493 -3.610 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.053 -4.464 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.910 -2.815 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.101 -1.854 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.474 -0.876 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.367 -1.347 1.260 1.00 0.00 H new ATOM 495 N ARG A 16 -12.026 -3.285 2.342 1.00 0.00 N ATOM 496 CA ARG A 16 -12.355 -3.035 3.716 1.00 0.00 C ATOM 497 C ARG A 16 -11.103 -2.944 4.553 1.00 0.00 C ATOM 498 O ARG A 16 -10.306 -3.886 4.601 1.00 0.00 O ATOM 499 CB ARG A 16 -13.259 -4.134 4.232 1.00 0.00 C ATOM 500 CG ARG A 16 -14.608 -4.129 3.599 1.00 0.00 C ATOM 501 CD ARG A 16 -15.439 -5.299 4.046 1.00 0.00 C ATOM 502 NE ARG A 16 -16.801 -5.219 3.505 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.505 -6.238 3.015 1.00 0.00 C ATOM 504 NH1 ARG A 16 -17.033 -7.482 3.090 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.707 -6.016 2.485 1.00 0.00 N ATOM 0 H ARG A 16 -11.978 -4.274 2.097 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.879 -2.082 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.785 -5.099 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.371 -4.027 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.123 -3.201 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.501 -4.153 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.970 -6.227 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.478 -5.326 5.135 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.248 -4.302 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.127 -7.658 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.577 -8.258 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.084 -5.069 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.250 -6.793 2.108 1.00 0.00 H new ATOM 519 N ILE A 17 -10.931 -1.833 5.208 1.00 0.00 N ATOM 520 CA ILE A 17 -9.785 -1.628 6.053 1.00 0.00 C ATOM 521 C ILE A 17 -10.154 -2.077 7.465 1.00 0.00 C ATOM 522 O ILE A 17 -11.184 -1.658 7.997 1.00 0.00 O ATOM 523 CB ILE A 17 -9.257 -0.130 6.073 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.583 0.303 4.761 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.288 0.112 7.195 1.00 0.00 C ATOM 526 CD1 ILE A 17 -9.514 0.638 3.658 1.00 0.00 C ATOM 0 H ILE A 17 -11.577 -1.044 5.174 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.964 -2.217 5.646 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.156 0.469 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.955 1.171 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.923 -0.498 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.953 1.149 7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.778 -0.088 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.429 -0.549 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.943 0.931 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.126 -0.232 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.159 1.462 3.964 1.00 0.00 H new ATOM 538 N PRO A 18 -9.369 -2.988 8.058 1.00 0.00 N ATOM 539 CA PRO A 18 -9.626 -3.480 9.405 1.00 0.00 C ATOM 540 C PRO A 18 -9.615 -2.346 10.435 1.00 0.00 C ATOM 541 O PRO A 18 -8.679 -1.523 10.468 1.00 0.00 O ATOM 542 CB PRO A 18 -8.479 -4.476 9.678 1.00 0.00 C ATOM 543 CG PRO A 18 -7.470 -4.241 8.604 1.00 0.00 C ATOM 544 CD PRO A 18 -8.194 -3.624 7.445 1.00 0.00 C ATOM 0 HA PRO A 18 -10.611 -3.940 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.045 -4.312 10.664 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.841 -5.504 9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.677 -3.582 8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.997 -5.178 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.570 -2.895 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.484 -4.375 6.710 1.00 0.00 H new ATOM 552 N ALA A 19 -10.641 -2.321 11.282 1.00 0.00 N ATOM 553 CA ALA A 19 -10.809 -1.298 12.319 1.00 0.00 C ATOM 554 C ALA A 19 -9.622 -1.299 13.272 1.00 0.00 C ATOM 555 O ALA A 19 -9.245 -0.261 13.821 1.00 0.00 O ATOM 556 CB ALA A 19 -12.101 -1.528 13.085 1.00 0.00 C ATOM 0 H ALA A 19 -11.388 -3.015 11.270 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.860 -0.323 11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.211 -0.761 13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.945 -1.478 12.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.074 -2.510 13.557 1.00 0.00 H new ATOM 562 N THR A 20 -9.025 -2.467 13.429 1.00 0.00 N ATOM 563 CA THR A 20 -7.849 -2.650 14.246 1.00 0.00 C ATOM 564 C THR A 20 -6.692 -1.768 13.709 1.00 0.00 C ATOM 565 O THR A 20 -5.954 -1.163 14.468 1.00 0.00 O ATOM 566 CB THR A 20 -7.427 -4.131 14.181 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.598 -4.961 14.339 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.443 -4.466 15.282 1.00 0.00 C ATOM 0 H THR A 20 -9.352 -3.325 12.984 1.00 0.00 H new ATOM 0 HA THR A 20 -8.070 -2.364 15.274 1.00 0.00 H new ATOM 0 HB THR A 20 -6.950 -4.312 13.218 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.338 -5.905 14.297 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.163 -5.517 15.212 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.553 -3.845 15.176 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.904 -4.277 16.252 1.00 0.00 H new ATOM 576 N LEU A 21 -6.606 -1.660 12.389 1.00 0.00 N ATOM 577 CA LEU A 21 -5.543 -0.902 11.731 1.00 0.00 C ATOM 578 C LEU A 21 -5.869 0.537 11.695 1.00 0.00 C ATOM 579 O LEU A 21 -4.986 1.379 11.741 1.00 0.00 O ATOM 580 CB LEU A 21 -5.293 -1.418 10.330 1.00 0.00 C ATOM 581 CG LEU A 21 -4.371 -2.619 10.207 1.00 0.00 C ATOM 582 CD1 LEU A 21 -2.934 -2.207 10.475 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.759 -3.729 11.159 1.00 0.00 C ATOM 0 H LEU A 21 -7.267 -2.093 11.744 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.631 -1.037 12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.254 -1.678 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.876 -0.605 9.736 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.466 -2.996 9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.283 -3.077 10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.632 -1.450 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.854 -1.798 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.074 -4.568 11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.707 -3.363 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.776 -4.056 10.941 1.00 0.00 H new ATOM 595 N MET A 22 -7.135 0.807 11.598 1.00 0.00 N ATOM 596 CA MET A 22 -7.651 2.180 11.689 1.00 0.00 C ATOM 597 C MET A 22 -7.136 2.829 12.951 1.00 0.00 C ATOM 598 O MET A 22 -6.533 3.903 12.922 1.00 0.00 O ATOM 599 CB MET A 22 -9.178 2.196 11.682 1.00 0.00 C ATOM 600 CG MET A 22 -9.819 1.759 10.380 1.00 0.00 C ATOM 601 SD MET A 22 -9.592 2.936 9.052 1.00 0.00 S ATOM 602 CE MET A 22 -10.492 4.325 9.731 1.00 0.00 C ATOM 0 H MET A 22 -7.855 0.099 11.454 1.00 0.00 H new ATOM 0 HA MET A 22 -7.303 2.738 10.820 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.536 1.547 12.481 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.517 3.206 11.915 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.400 0.798 10.081 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.886 1.605 10.542 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.718 5.036 8.936 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.422 3.973 10.177 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.886 4.814 10.494 1.00 0.00 H new ATOM 612 N GLN A 23 -7.335 2.136 14.030 1.00 0.00 N ATOM 613 CA GLN A 23 -6.848 2.540 15.327 1.00 0.00 C ATOM 614 C GLN A 23 -5.334 2.531 15.378 1.00 0.00 C ATOM 615 O GLN A 23 -4.720 3.417 15.963 1.00 0.00 O ATOM 616 CB GLN A 23 -7.380 1.598 16.377 1.00 0.00 C ATOM 617 CG GLN A 23 -8.866 1.656 16.506 1.00 0.00 C ATOM 618 CD GLN A 23 -9.406 0.707 17.542 1.00 0.00 C ATOM 619 OE1 GLN A 23 -8.729 0.376 18.524 1.00 0.00 O ATOM 620 NE2 GLN A 23 -10.622 0.267 17.348 1.00 0.00 N ATOM 0 H GLN A 23 -7.850 1.255 14.041 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.193 3.557 15.515 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.081 0.579 16.130 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.927 1.839 17.338 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.163 2.673 16.763 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.318 1.426 15.541 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.147 0.564 16.525 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.046 -0.373 18.019 1.00 0.00 H new ATOM 629 N ALA A 24 -4.740 1.565 14.708 1.00 0.00 N ATOM 630 CA ALA A 24 -3.285 1.373 14.785 1.00 0.00 C ATOM 631 C ALA A 24 -2.537 2.499 14.098 1.00 0.00 C ATOM 632 O ALA A 24 -1.481 2.933 14.545 1.00 0.00 O ATOM 633 CB ALA A 24 -2.879 0.031 14.195 1.00 0.00 C ATOM 0 H ALA A 24 -5.226 0.900 14.106 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.013 1.384 15.841 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.797 -0.085 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.367 -0.772 14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.182 -0.013 13.149 1.00 0.00 H new ATOM 639 N LEU A 25 -3.102 2.979 13.027 1.00 0.00 N ATOM 640 CA LEU A 25 -2.495 4.031 12.252 1.00 0.00 C ATOM 641 C LEU A 25 -3.086 5.388 12.606 1.00 0.00 C ATOM 642 O LEU A 25 -2.705 6.420 12.040 1.00 0.00 O ATOM 643 CB LEU A 25 -2.640 3.711 10.789 1.00 0.00 C ATOM 644 CG LEU A 25 -1.919 2.442 10.353 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.316 2.077 8.957 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.406 2.624 10.457 1.00 0.00 C ATOM 0 H LEU A 25 -3.998 2.654 12.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.433 4.091 12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.700 3.613 10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.260 4.550 10.206 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.208 1.628 11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.794 1.168 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.392 1.908 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.051 2.889 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.093 1.708 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.094 3.447 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.136 2.847 11.489 1.00 0.00 H new ATOM 658 N ASN A 26 -4.011 5.360 13.563 1.00 0.00 N ATOM 659 CA ASN A 26 -4.655 6.547 14.152 1.00 0.00 C ATOM 660 C ASN A 26 -5.510 7.347 13.174 1.00 0.00 C ATOM 661 O ASN A 26 -5.701 8.561 13.351 1.00 0.00 O ATOM 662 CB ASN A 26 -3.636 7.463 14.865 1.00 0.00 C ATOM 663 CG ASN A 26 -3.033 6.838 16.102 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.606 6.938 17.192 1.00 0.00 O ATOM 665 ND2 ASN A 26 -1.870 6.235 15.970 1.00 0.00 N ATOM 0 H ASN A 26 -4.348 4.486 13.967 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.344 6.147 14.896 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.837 7.717 14.169 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.127 8.396 15.141 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.410 5.830 16.785 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.429 6.173 15.052 1.00 0.00 H new ATOM 672 N LEU A 27 -6.096 6.685 12.205 1.00 0.00 N ATOM 673 CA LEU A 27 -6.917 7.355 11.260 1.00 0.00 C ATOM 674 C LEU A 27 -8.386 7.146 11.590 1.00 0.00 C ATOM 675 O LEU A 27 -8.745 6.249 12.361 1.00 0.00 O ATOM 676 CB LEU A 27 -6.637 6.916 9.832 1.00 0.00 C ATOM 677 CG LEU A 27 -6.969 5.483 9.447 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.426 5.467 8.018 1.00 0.00 C ATOM 679 CD2 LEU A 27 -5.754 4.594 9.576 1.00 0.00 C ATOM 0 H LEU A 27 -6.011 5.679 12.061 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.676 8.416 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.190 7.577 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.577 7.078 9.635 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.748 5.111 10.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.669 4.446 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.311 6.095 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.631 5.849 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.018 3.574 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.965 4.959 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.402 4.606 10.607 1.00 0.00 H new ATOM 691 N ASN A 28 -9.215 7.985 11.039 1.00 0.00 N ATOM 692 CA ASN A 28 -10.661 7.904 11.210 1.00 0.00 C ATOM 693 C ASN A 28 -11.356 7.836 9.871 1.00 0.00 C ATOM 694 O ASN A 28 -10.711 7.838 8.833 1.00 0.00 O ATOM 695 CB ASN A 28 -11.224 9.094 12.040 1.00 0.00 C ATOM 696 CG ASN A 28 -10.810 10.511 11.583 1.00 0.00 C ATOM 697 OD1 ASN A 28 -10.655 10.742 10.302 1.00 0.00 O flip ATOM 698 ND2 ASN A 28 -10.671 11.410 12.408 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.915 8.760 10.448 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.861 6.988 11.766 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.312 9.035 12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.912 8.965 13.076 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.795 11.214 13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.432 12.352 12.100 1.00 0.00 H new ATOM 705 N ILE A 29 -12.650 7.762 9.897 1.00 0.00 N ATOM 706 CA ILE A 29 -13.450 7.797 8.697 1.00 0.00 C ATOM 707 C ILE A 29 -13.341 9.175 8.016 1.00 0.00 C ATOM 708 O ILE A 29 -13.255 10.207 8.685 1.00 0.00 O ATOM 709 CB ILE A 29 -14.929 7.437 9.022 1.00 0.00 C ATOM 710 CG1 ILE A 29 -15.070 5.938 9.359 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.893 7.827 7.897 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.688 5.000 8.231 1.00 0.00 C ATOM 0 H ILE A 29 -13.193 7.675 10.756 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.071 7.051 7.998 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.206 8.024 9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.449 5.714 10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.103 5.739 9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.910 7.553 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.840 8.903 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.615 7.303 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.818 3.968 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.325 5.191 7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.646 5.166 7.957 1.00 0.00 H new ATOM 724 N ASP A 30 -13.283 9.138 6.690 1.00 0.00 N ATOM 725 CA ASP A 30 -13.190 10.296 5.776 1.00 0.00 C ATOM 726 C ASP A 30 -11.830 10.939 5.887 1.00 0.00 C ATOM 727 O ASP A 30 -11.639 12.106 5.567 1.00 0.00 O ATOM 728 CB ASP A 30 -14.332 11.301 5.989 1.00 0.00 C ATOM 729 CG ASP A 30 -14.742 11.990 4.697 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.359 11.311 3.816 1.00 0.00 O ATOM 731 OD2 ASP A 30 -14.518 13.208 4.539 1.00 0.00 O ATOM 0 H ASP A 30 -13.300 8.253 6.184 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.307 9.931 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.194 10.784 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.022 12.052 6.716 1.00 0.00 H new ATOM 736 N ASP A 31 -10.867 10.135 6.292 1.00 0.00 N ATOM 737 CA ASP A 31 -9.512 10.569 6.452 1.00 0.00 C ATOM 738 C ASP A 31 -8.845 10.462 5.115 1.00 0.00 C ATOM 739 O ASP A 31 -9.030 9.464 4.401 1.00 0.00 O ATOM 740 CB ASP A 31 -8.797 9.688 7.455 1.00 0.00 C ATOM 741 CG ASP A 31 -7.586 10.339 8.064 1.00 0.00 C ATOM 742 OD1 ASP A 31 -7.756 11.106 9.038 1.00 0.00 O ATOM 743 OD2 ASP A 31 -6.466 10.095 7.627 1.00 0.00 O ATOM 0 H ASP A 31 -11.015 9.152 6.519 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.481 11.595 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.492 9.416 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.495 8.763 6.965 1.00 0.00 H new ATOM 748 N GLU A 32 -8.132 11.474 4.778 1.00 0.00 N ATOM 749 CA GLU A 32 -7.468 11.614 3.517 1.00 0.00 C ATOM 750 C GLU A 32 -6.254 10.680 3.452 1.00 0.00 C ATOM 751 O GLU A 32 -5.488 10.590 4.408 1.00 0.00 O ATOM 752 CB GLU A 32 -7.085 13.092 3.384 1.00 0.00 C ATOM 753 CG GLU A 32 -6.325 13.478 2.147 1.00 0.00 C ATOM 754 CD GLU A 32 -6.097 14.969 2.090 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.006 15.697 1.661 1.00 0.00 O ATOM 756 OE2 GLU A 32 -5.017 15.451 2.510 1.00 0.00 O ATOM 0 H GLU A 32 -7.983 12.270 5.398 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.109 11.328 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.998 13.686 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.487 13.369 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.366 12.960 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.877 13.158 1.263 1.00 0.00 H new ATOM 763 N VAL A 33 -6.098 9.964 2.341 1.00 0.00 N ATOM 764 CA VAL A 33 -4.993 9.036 2.198 1.00 0.00 C ATOM 765 C VAL A 33 -4.301 9.198 0.863 1.00 0.00 C ATOM 766 O VAL A 33 -4.924 9.585 -0.141 1.00 0.00 O ATOM 767 CB VAL A 33 -5.379 7.522 2.420 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.200 7.351 3.641 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.111 6.933 1.256 1.00 0.00 C ATOM 0 H VAL A 33 -6.721 10.012 1.535 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.307 9.301 3.002 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.434 6.990 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.450 6.298 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.638 7.697 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.117 7.933 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.350 5.891 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.033 7.490 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.484 6.989 0.366 1.00 0.00 H new ATOM 779 N LYS A 34 -3.026 8.927 0.863 1.00 0.00 N ATOM 780 CA LYS A 34 -2.223 8.983 -0.345 1.00 0.00 C ATOM 781 C LYS A 34 -1.963 7.591 -0.862 1.00 0.00 C ATOM 782 O LYS A 34 -1.578 6.699 -0.094 1.00 0.00 O ATOM 783 CB LYS A 34 -0.892 9.697 -0.100 1.00 0.00 C ATOM 784 CG LYS A 34 -1.037 11.168 0.234 1.00 0.00 C ATOM 785 CD LYS A 34 0.309 11.850 0.430 1.00 0.00 C ATOM 786 CE LYS A 34 1.074 11.336 1.637 1.00 0.00 C ATOM 787 NZ LYS A 34 2.353 12.056 1.794 1.00 0.00 N ATOM 0 H LYS A 34 -2.505 8.660 1.698 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.783 9.550 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.369 9.199 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.268 9.596 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.582 11.668 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.632 11.276 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.915 11.705 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.152 12.923 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.470 11.460 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.264 10.269 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.859 11.688 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.936 11.917 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.166 13.071 1.924 1.00 0.00 H new ATOM 801 N ILE A 35 -2.194 7.404 -2.143 1.00 0.00 N ATOM 802 CA ILE A 35 -1.965 6.144 -2.802 1.00 0.00 C ATOM 803 C ILE A 35 -0.882 6.361 -3.863 1.00 0.00 C ATOM 804 O ILE A 35 -1.059 7.167 -4.793 1.00 0.00 O ATOM 805 CB ILE A 35 -3.250 5.572 -3.529 1.00 0.00 C ATOM 806 CG1 ILE A 35 -4.462 5.376 -2.584 1.00 0.00 C ATOM 807 CG2 ILE A 35 -2.936 4.255 -4.223 1.00 0.00 C ATOM 808 CD1 ILE A 35 -5.207 6.639 -2.199 1.00 0.00 C ATOM 0 H ILE A 35 -2.550 8.133 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.675 5.423 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.532 6.327 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.165 4.693 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.114 4.890 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.833 3.880 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.153 4.412 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.596 3.527 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.035 6.386 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.528 7.320 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.595 7.121 -3.097 1.00 0.00 H new ATOM 820 N ASP A 36 0.231 5.702 -3.718 1.00 0.00 N ATOM 821 CA ASP A 36 1.287 5.792 -4.720 1.00 0.00 C ATOM 822 C ASP A 36 1.647 4.399 -5.151 1.00 0.00 C ATOM 823 O ASP A 36 1.651 3.486 -4.338 1.00 0.00 O ATOM 824 CB ASP A 36 2.527 6.546 -4.197 1.00 0.00 C ATOM 825 CG ASP A 36 3.570 6.822 -5.289 1.00 0.00 C ATOM 826 OD1 ASP A 36 3.195 7.041 -6.469 1.00 0.00 O ATOM 827 OD2 ASP A 36 4.791 6.820 -4.991 1.00 0.00 O ATOM 0 H ASP A 36 0.443 5.096 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 36 0.920 6.367 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.211 7.492 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.990 5.963 -3.400 1.00 0.00 H new ATOM 832 N LEU A 37 1.885 4.205 -6.410 1.00 0.00 N ATOM 833 CA LEU A 37 2.184 2.953 -6.904 1.00 0.00 C ATOM 834 C LEU A 37 3.686 2.816 -6.942 1.00 0.00 C ATOM 835 O LEU A 37 4.383 3.613 -7.571 1.00 0.00 O ATOM 836 CB LEU A 37 1.585 2.830 -8.299 1.00 0.00 C ATOM 837 CG LEU A 37 1.316 1.428 -8.827 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.563 0.603 -8.874 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.235 0.763 -8.023 1.00 0.00 C ATOM 0 H LEU A 37 1.870 4.944 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 37 1.770 2.162 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.644 3.380 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.255 3.330 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 37 0.965 1.516 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.328 -0.390 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.291 1.081 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.980 0.516 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.055 -0.239 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.546 0.695 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.682 1.349 -8.091 1.00 0.00 H new ATOM 851 N VAL A 38 4.154 1.805 -6.314 1.00 0.00 N ATOM 852 CA VAL A 38 5.584 1.515 -6.216 1.00 0.00 C ATOM 853 C VAL A 38 5.779 0.018 -6.333 1.00 0.00 C ATOM 854 O VAL A 38 5.382 -0.707 -5.445 1.00 0.00 O ATOM 855 CB VAL A 38 6.217 1.972 -4.853 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.712 1.668 -4.834 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.985 3.453 -4.574 1.00 0.00 C ATOM 0 H VAL A 38 3.565 1.125 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 38 6.077 2.067 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 38 5.719 1.408 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.137 1.990 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.867 0.596 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.202 2.200 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.441 3.720 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.433 4.048 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.914 3.652 -4.532 1.00 0.00 H new ATOM 867 N ASP A 39 6.337 -0.423 -7.450 1.00 0.00 N ATOM 868 CA ASP A 39 6.633 -1.852 -7.718 1.00 0.00 C ATOM 869 C ASP A 39 5.411 -2.754 -7.480 1.00 0.00 C ATOM 870 O ASP A 39 5.376 -3.580 -6.550 1.00 0.00 O ATOM 871 CB ASP A 39 7.880 -2.353 -6.948 1.00 0.00 C ATOM 872 CG ASP A 39 8.258 -3.793 -7.285 1.00 0.00 C ATOM 873 OD1 ASP A 39 8.847 -4.040 -8.372 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.009 -4.700 -6.477 1.00 0.00 O ATOM 0 H ASP A 39 6.606 0.196 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 39 6.874 -1.919 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.724 -1.701 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.693 -2.275 -5.877 1.00 0.00 H new ATOM 879 N GLY A 40 4.369 -2.494 -8.252 1.00 0.00 N ATOM 880 CA GLY A 40 3.126 -3.267 -8.172 1.00 0.00 C ATOM 881 C GLY A 40 2.317 -3.058 -6.878 1.00 0.00 C ATOM 882 O GLY A 40 1.225 -3.600 -6.735 1.00 0.00 O ATOM 0 H GLY A 40 4.353 -1.749 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.497 -3.006 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.367 -4.326 -8.266 1.00 0.00 H new ATOM 886 N LYS A 41 2.836 -2.270 -5.958 1.00 0.00 N ATOM 887 CA LYS A 41 2.178 -2.071 -4.685 1.00 0.00 C ATOM 888 C LYS A 41 1.372 -0.821 -4.697 1.00 0.00 C ATOM 889 O LYS A 41 1.803 0.204 -5.248 1.00 0.00 O ATOM 890 CB LYS A 41 3.183 -1.866 -3.563 1.00 0.00 C ATOM 891 CG LYS A 41 4.272 -2.874 -3.449 1.00 0.00 C ATOM 892 CD LYS A 41 3.808 -4.208 -2.970 1.00 0.00 C ATOM 893 CE LYS A 41 5.000 -5.110 -2.881 1.00 0.00 C ATOM 894 NZ LYS A 41 5.534 -5.469 -4.209 1.00 0.00 N ATOM 0 H LYS A 41 3.711 -1.758 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 41 1.568 -2.961 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.640 -0.885 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.639 -1.844 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.748 -2.993 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.033 -2.497 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.326 -4.117 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.068 -4.622 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.780 -4.620 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.726 -6.019 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.357 -6.094 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.800 -5.961 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.822 -4.606 -4.712 1.00 0.00 H new ATOM 908 N LEU A 42 0.243 -0.884 -4.076 1.00 0.00 N ATOM 909 CA LEU A 42 -0.497 0.296 -3.769 1.00 0.00 C ATOM 910 C LEU A 42 -0.027 0.703 -2.417 1.00 0.00 C ATOM 911 O LEU A 42 -0.351 0.086 -1.412 1.00 0.00 O ATOM 912 CB LEU A 42 -2.007 0.067 -3.801 1.00 0.00 C ATOM 913 CG LEU A 42 -2.582 -0.258 -5.166 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.875 -1.047 -5.020 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.866 1.012 -5.968 1.00 0.00 C ATOM 0 H LEU A 42 -0.194 -1.752 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.327 1.074 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.249 -0.748 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.502 0.960 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.840 -0.853 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.277 -1.273 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.676 -1.977 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.600 -0.457 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.277 0.743 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.584 1.630 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.940 1.569 -6.107 1.00 0.00 H new ATOM 927 N ILE A 43 0.822 1.644 -2.424 1.00 0.00 N ATOM 928 CA ILE A 43 1.455 2.120 -1.233 1.00 0.00 C ATOM 929 C ILE A 43 0.540 3.116 -0.571 1.00 0.00 C ATOM 930 O ILE A 43 0.066 4.058 -1.218 1.00 0.00 O ATOM 931 CB ILE A 43 2.818 2.746 -1.579 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.791 1.700 -2.168 1.00 0.00 C ATOM 933 CG2 ILE A 43 3.430 3.512 -0.432 1.00 0.00 C ATOM 934 CD1 ILE A 43 4.129 0.523 -1.257 1.00 0.00 C ATOM 0 H ILE A 43 1.116 2.129 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 43 1.639 1.297 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 43 2.625 3.487 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.361 1.310 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.719 2.205 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.389 3.927 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.762 4.321 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.582 2.841 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.818 -0.148 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.595 0.892 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.216 -0.017 -1.006 1.00 0.00 H new ATOM 946 N ILE A 44 0.299 2.911 0.701 1.00 0.00 N ATOM 947 CA ILE A 44 -0.697 3.676 1.417 1.00 0.00 C ATOM 948 C ILE A 44 -0.089 4.289 2.664 1.00 0.00 C ATOM 949 O ILE A 44 0.442 3.581 3.518 1.00 0.00 O ATOM 950 CB ILE A 44 -1.894 2.774 1.853 1.00 0.00 C ATOM 951 CG1 ILE A 44 -2.540 2.033 0.659 1.00 0.00 C ATOM 952 CG2 ILE A 44 -2.950 3.574 2.628 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.156 2.931 -0.389 1.00 0.00 C ATOM 0 H ILE A 44 0.783 2.214 1.267 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.055 4.456 0.745 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.480 2.017 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.782 1.411 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.310 1.362 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.768 2.914 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.498 4.002 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.335 4.375 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.583 2.321 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.941 3.536 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.389 3.585 -0.804 1.00 0.00 H new ATOM 965 N GLU A 45 -0.172 5.577 2.744 1.00 0.00 N ATOM 966 CA GLU A 45 0.261 6.356 3.890 1.00 0.00 C ATOM 967 C GLU A 45 -0.921 7.271 4.199 1.00 0.00 C ATOM 968 O GLU A 45 -1.530 7.822 3.253 1.00 0.00 O ATOM 969 CB GLU A 45 1.511 7.189 3.492 1.00 0.00 C ATOM 970 CG GLU A 45 2.017 8.259 4.498 1.00 0.00 C ATOM 971 CD GLU A 45 2.701 7.715 5.744 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.789 7.126 5.624 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.184 7.894 6.864 1.00 0.00 O ATOM 0 H GLU A 45 -0.556 6.150 1.992 1.00 0.00 H new ATOM 0 HA GLU A 45 0.535 5.745 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.329 6.495 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.293 7.692 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.714 8.918 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.170 8.871 4.808 1.00 0.00 H new ATOM 980 N PRO A 46 -1.305 7.439 5.462 1.00 0.00 N ATOM 981 CA PRO A 46 -2.406 8.245 5.799 1.00 0.00 C ATOM 982 C PRO A 46 -1.972 9.671 5.894 1.00 0.00 C ATOM 983 O PRO A 46 -0.798 9.981 6.173 1.00 0.00 O ATOM 984 CB PRO A 46 -2.867 7.735 7.154 1.00 0.00 C ATOM 985 CG PRO A 46 -1.811 6.813 7.612 1.00 0.00 C ATOM 986 CD PRO A 46 -0.661 6.937 6.646 1.00 0.00 C ATOM 0 HA PRO A 46 -3.204 8.198 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.001 8.557 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.826 7.224 7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.493 7.065 8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.181 5.788 7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.105 7.620 7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.175 5.978 6.468 1.00 0.00 H new ATOM 994 N VAL A 47 -2.859 10.524 5.706 1.00 0.00 N ATOM 995 CA VAL A 47 -2.505 11.907 5.684 1.00 0.00 C ATOM 996 C VAL A 47 -3.050 12.530 6.900 1.00 0.00 C ATOM 997 O VAL A 47 -4.212 12.942 6.951 1.00 0.00 O ATOM 998 CB VAL A 47 -3.018 12.675 4.451 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.304 13.974 4.297 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -2.873 11.883 3.205 1.00 0.00 C ATOM 0 H VAL A 47 -3.848 10.321 5.561 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.417 11.960 5.636 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.079 12.862 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.685 14.497 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.468 14.587 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.237 13.790 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.247 12.462 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.821 11.646 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.444 10.959 3.293 1.00 0.00 H new ATOM 1351 N ILE B 2 -2.483 10.351 -6.569 1.00 0.00 N ATOM 1352 CA ILE B 2 -3.691 9.643 -6.298 1.00 0.00 C ATOM 1353 C ILE B 2 -4.001 9.824 -4.826 1.00 0.00 C ATOM 1354 O ILE B 2 -3.395 9.180 -3.965 1.00 0.00 O ATOM 1355 CB ILE B 2 -3.570 8.129 -6.622 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -3.142 7.927 -8.083 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -4.904 7.426 -6.360 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -2.863 6.484 -8.456 1.00 0.00 C ATOM 0 HA ILE B 2 -4.486 10.039 -6.930 1.00 0.00 H new ATOM 0 HB ILE B 2 -2.809 7.694 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -3.924 8.314 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -2.247 8.519 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -4.808 6.365 -6.591 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -5.179 7.546 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -5.677 7.865 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -2.567 6.430 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -2.059 6.096 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -3.762 5.888 -8.302 1.00 0.00 H new ATOM 1370 N HIS B 3 -4.857 10.746 -4.532 1.00 0.00 N ATOM 1371 CA HIS B 3 -5.246 10.982 -3.174 1.00 0.00 C ATOM 1372 C HIS B 3 -6.717 10.730 -3.002 1.00 0.00 C ATOM 1373 O HIS B 3 -7.545 11.159 -3.808 1.00 0.00 O ATOM 1374 CB HIS B 3 -4.801 12.376 -2.655 1.00 0.00 C ATOM 1375 CG HIS B 3 -5.199 13.545 -3.509 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -4.379 14.101 -4.460 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -6.336 14.274 -3.527 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -5.016 15.120 -5.013 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -6.215 15.273 -4.483 1.00 0.00 N ATOM 0 H HIS B 3 -5.305 11.354 -5.217 1.00 0.00 H new ATOM 0 HA HIS B 3 -4.715 10.269 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -5.215 12.521 -1.657 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -3.716 12.376 -2.553 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -7.199 14.107 -2.900 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -4.609 15.744 -5.795 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -6.909 15.980 -4.726 1.00 0.00 H new ATOM 1387 N SER B 4 -7.034 10.003 -1.999 1.00 0.00 N ATOM 1388 CA SER B 4 -8.378 9.607 -1.728 1.00 0.00 C ATOM 1389 C SER B 4 -8.644 9.718 -0.246 1.00 0.00 C ATOM 1390 O SER B 4 -7.932 10.421 0.455 1.00 0.00 O ATOM 1391 CB SER B 4 -8.596 8.172 -2.234 1.00 0.00 C ATOM 1392 OG SER B 4 -8.501 8.105 -3.646 1.00 0.00 O ATOM 0 H SER B 4 -6.356 9.654 -1.322 1.00 0.00 H new ATOM 0 HA SER B 4 -9.078 10.261 -2.247 1.00 0.00 H new ATOM 0 HB2 SER B 4 -7.856 7.509 -1.786 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.576 7.817 -1.916 1.00 0.00 H new ATOM 0 HG SER B 4 -8.642 7.181 -3.940 1.00 0.00 H new ATOM 1398 N SER B 5 -9.656 9.058 0.214 1.00 0.00 N ATOM 1399 CA SER B 5 -10.019 9.066 1.585 1.00 0.00 C ATOM 1400 C SER B 5 -10.798 7.799 1.896 1.00 0.00 C ATOM 1401 O SER B 5 -11.271 7.116 0.974 1.00 0.00 O ATOM 1402 CB SER B 5 -10.825 10.335 1.906 1.00 0.00 C ATOM 1403 OG SER B 5 -11.875 10.513 0.975 1.00 0.00 O ATOM 0 H SER B 5 -10.265 8.486 -0.371 1.00 0.00 H new ATOM 0 HA SER B 5 -9.130 9.082 2.215 1.00 0.00 H new ATOM 0 HB2 SER B 5 -11.235 10.266 2.914 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.167 11.203 1.889 1.00 0.00 H new ATOM 0 HG SER B 5 -11.954 11.463 0.749 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.907 7.481 3.151 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.603 6.293 3.595 1.00 0.00 C ATOM 1411 C VAL B 6 -13.019 6.674 3.880 1.00 0.00 C ATOM 1412 O VAL B 6 -13.247 7.685 4.482 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.985 5.756 4.918 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -11.639 4.454 5.353 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -9.499 5.578 4.783 1.00 0.00 C ATOM 0 H VAL B 6 -10.514 8.039 3.909 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.530 5.526 2.824 1.00 0.00 H new ATOM 0 HB VAL B 6 -11.176 6.500 5.691 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -11.182 4.109 6.280 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.705 4.618 5.513 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -11.500 3.700 4.578 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -9.091 5.202 5.721 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -9.289 4.866 3.985 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -9.038 6.537 4.545 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.953 5.913 3.451 1.00 0.00 N ATOM 1426 CA LYS B 7 -15.314 6.205 3.799 1.00 0.00 C ATOM 1427 C LYS B 7 -15.913 5.025 4.524 1.00 0.00 C ATOM 1428 O LYS B 7 -15.264 3.984 4.652 1.00 0.00 O ATOM 1429 CB LYS B 7 -16.180 6.658 2.616 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.928 8.074 2.081 1.00 0.00 C ATOM 1431 CD LYS B 7 -14.778 8.164 1.101 1.00 0.00 C ATOM 1432 CE LYS B 7 -14.787 9.524 0.403 1.00 0.00 C ATOM 1433 NZ LYS B 7 -14.549 10.668 1.325 1.00 0.00 N ATOM 0 H LYS B 7 -13.817 5.090 2.865 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.298 7.068 4.465 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -16.033 5.954 1.797 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -17.226 6.588 2.913 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -16.835 8.435 1.596 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.729 8.739 2.921 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -13.832 8.021 1.624 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.857 7.367 0.362 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.023 9.529 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.747 9.662 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.815 11.556 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -15.123 10.547 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -13.542 10.702 1.583 1.00 0.00 H new ATOM 1447 N ARG B 8 -17.113 5.161 5.014 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.698 4.103 5.783 1.00 0.00 C ATOM 1449 C ARG B 8 -18.717 3.349 4.950 1.00 0.00 C ATOM 1450 O ARG B 8 -19.813 3.841 4.697 1.00 0.00 O ATOM 1451 CB ARG B 8 -18.362 4.662 7.043 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.683 3.609 8.084 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.375 4.200 9.301 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.652 5.350 9.887 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.094 5.386 11.119 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -17.948 4.263 11.830 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -17.642 6.549 11.612 1.00 0.00 N ATOM 0 H ARG B 8 -17.700 5.987 4.895 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.907 3.415 6.081 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.705 5.410 7.487 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -19.283 5.173 6.761 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.321 2.844 7.641 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.762 3.115 8.395 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -20.380 4.517 9.021 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.485 3.425 10.059 1.00 0.00 H new ATOM 0 HE ARG B 8 -18.567 6.188 9.312 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -18.258 3.371 11.444 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.526 4.298 12.758 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.720 7.402 11.058 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.221 6.580 12.540 1.00 0.00 H new ATOM 1471 N TRP B 9 -18.357 2.170 4.541 1.00 0.00 N ATOM 1472 CA TRP B 9 -19.231 1.307 3.771 1.00 0.00 C ATOM 1473 C TRP B 9 -20.004 0.467 4.763 1.00 0.00 C ATOM 1474 O TRP B 9 -19.500 -0.550 5.272 1.00 0.00 O ATOM 1475 CB TRP B 9 -18.389 0.441 2.806 1.00 0.00 C ATOM 1476 CG TRP B 9 -19.132 -0.476 1.863 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -20.458 -0.487 1.600 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.569 -1.535 1.042 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.743 -1.431 0.672 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.632 -2.102 0.334 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -17.282 -2.055 0.829 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -19.476 -3.146 -0.548 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -17.129 -3.098 -0.049 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -18.233 -3.633 -0.720 1.00 0.00 C ATOM 0 H TRP B 9 -17.439 1.766 4.730 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.927 1.876 3.155 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.770 1.109 2.207 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.712 -0.169 3.405 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -21.185 0.163 2.063 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.670 -1.607 0.285 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -16.429 -1.642 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.319 -3.559 -1.082 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -16.146 -3.510 -0.224 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -18.084 -4.462 -1.396 1.00 0.00 H new ATOM 1495 N GLY B 10 -21.173 0.950 5.112 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.972 0.299 6.097 1.00 0.00 C ATOM 1497 C GLY B 10 -21.397 0.560 7.453 1.00 0.00 C ATOM 1498 O GLY B 10 -21.358 1.710 7.914 1.00 0.00 O ATOM 0 H GLY B 10 -21.585 1.797 4.720 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.998 0.664 6.048 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -22.005 -0.773 5.904 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.940 -0.476 8.094 1.00 0.00 N ATOM 1503 CA ASN B 11 -20.280 -0.337 9.374 1.00 0.00 C ATOM 1504 C ASN B 11 -18.808 -0.745 9.288 1.00 0.00 C ATOM 1505 O ASN B 11 -18.225 -1.190 10.288 1.00 0.00 O ATOM 1506 CB ASN B 11 -21.006 -1.158 10.454 1.00 0.00 C ATOM 1507 CG ASN B 11 -22.408 -0.649 10.732 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -23.383 -1.082 10.101 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.531 0.256 11.669 1.00 0.00 N ATOM 0 H ASN B 11 -21.009 -1.435 7.755 1.00 0.00 H new ATOM 0 HA ASN B 11 -20.320 0.715 9.655 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -21.058 -2.200 10.139 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -20.425 -1.132 11.376 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -23.452 0.628 11.901 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -21.706 0.589 12.168 1.00 0.00 H new ATOM 1516 N SER B 12 -18.172 -0.560 8.129 1.00 0.00 N ATOM 1517 CA SER B 12 -16.793 -0.903 7.972 1.00 0.00 C ATOM 1518 C SER B 12 -16.123 0.115 7.037 1.00 0.00 C ATOM 1519 O SER B 12 -16.704 0.502 6.029 1.00 0.00 O ATOM 1520 CB SER B 12 -16.662 -2.329 7.419 1.00 0.00 C ATOM 1521 OG SER B 12 -17.236 -3.289 8.304 1.00 0.00 O ATOM 0 H SER B 12 -18.609 -0.172 7.293 1.00 0.00 H new ATOM 0 HA SER B 12 -16.294 -0.873 8.940 1.00 0.00 H new ATOM 0 HB2 SER B 12 -17.152 -2.390 6.447 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.609 -2.563 7.260 1.00 0.00 H new ATOM 0 HG SER B 12 -17.137 -4.186 7.922 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.953 0.619 7.416 1.00 0.00 N ATOM 1528 CA PRO B 13 -14.185 1.556 6.596 1.00 0.00 C ATOM 1529 C PRO B 13 -13.728 0.923 5.278 1.00 0.00 C ATOM 1530 O PRO B 13 -13.171 -0.182 5.261 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.973 1.914 7.465 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.928 0.901 8.552 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.304 0.336 8.693 1.00 0.00 C ATOM 0 HA PRO B 13 -14.781 2.424 6.314 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -12.055 1.896 6.878 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -13.071 2.920 7.874 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -12.212 0.114 8.314 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.602 1.356 9.487 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.274 -0.735 8.893 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.840 0.800 9.521 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.973 1.613 4.192 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.614 1.139 2.895 1.00 0.00 C ATOM 1543 C ALA B 14 -13.018 2.266 2.076 1.00 0.00 C ATOM 1544 O ALA B 14 -13.439 3.426 2.197 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.832 0.568 2.192 1.00 0.00 C ATOM 0 H ALA B 14 -14.431 2.525 4.192 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.869 0.350 3.002 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -14.546 0.209 1.203 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -15.234 -0.260 2.776 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.591 1.344 2.091 1.00 0.00 H new ATOM 1551 N VAL B 15 -12.022 1.951 1.289 1.00 0.00 N ATOM 1552 CA VAL B 15 -11.431 2.912 0.392 1.00 0.00 C ATOM 1553 C VAL B 15 -11.749 2.524 -1.023 1.00 0.00 C ATOM 1554 O VAL B 15 -11.874 1.334 -1.332 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.887 3.071 0.557 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -9.520 3.631 1.896 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -9.135 1.784 0.273 1.00 0.00 C ATOM 0 H VAL B 15 -11.598 1.024 1.251 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.863 3.880 0.644 1.00 0.00 H new ATOM 0 HB VAL B 15 -9.575 3.793 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -8.436 3.724 1.967 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -9.978 4.613 2.018 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -9.879 2.964 2.680 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -8.066 1.951 0.402 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.467 1.009 0.963 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.331 1.466 -0.751 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.904 3.504 -1.856 1.00 0.00 N ATOM 1568 CA ARG B 16 -12.202 3.291 -3.239 1.00 0.00 C ATOM 1569 C ARG B 16 -10.926 3.137 -4.026 1.00 0.00 C ATOM 1570 O ARG B 16 -10.049 4.000 -3.967 1.00 0.00 O ATOM 1571 CB ARG B 16 -13.025 4.455 -3.773 1.00 0.00 C ATOM 1572 CG ARG B 16 -14.421 4.493 -3.219 1.00 0.00 C ATOM 1573 CD ARG B 16 -15.173 5.711 -3.683 1.00 0.00 C ATOM 1574 NE ARG B 16 -16.574 5.678 -3.242 1.00 0.00 N ATOM 1575 CZ ARG B 16 -17.262 6.709 -2.751 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.705 7.917 -2.684 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.520 6.539 -2.349 1.00 0.00 N ATOM 0 H ARG B 16 -11.827 4.486 -1.593 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.783 2.375 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -12.519 5.390 -3.532 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -13.074 4.389 -4.860 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.958 3.595 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.380 4.484 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.689 6.608 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -15.134 5.772 -4.771 1.00 0.00 H new ATOM 0 HE ARG B 16 -17.064 4.787 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.748 8.056 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -17.235 8.703 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.957 5.620 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -19.046 7.328 -1.973 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.808 2.041 -4.722 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.658 1.799 -5.549 1.00 0.00 C ATOM 1593 C ILE B 17 -10.000 2.253 -6.964 1.00 0.00 C ATOM 1594 O ILE B 17 -11.017 1.835 -7.519 1.00 0.00 O ATOM 1595 CB ILE B 17 -9.168 0.286 -5.558 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.534 -0.162 -4.231 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.184 0.017 -6.660 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -9.498 -0.470 -3.147 1.00 0.00 C ATOM 0 H ILE B 17 -11.502 1.294 -4.733 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.824 2.364 -5.132 1.00 0.00 H new ATOM 0 HB ILE B 17 -10.079 -0.291 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.925 -1.047 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.860 0.622 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.877 -1.028 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.649 0.228 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.310 0.656 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.955 -0.776 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -10.091 0.417 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -10.158 -1.277 -3.465 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.198 3.157 -7.541 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.430 3.665 -8.883 1.00 0.00 C ATOM 1612 C PRO B 18 -9.416 2.542 -9.922 1.00 0.00 C ATOM 1613 O PRO B 18 -8.485 1.703 -9.950 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.274 4.653 -9.128 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.273 4.380 -8.054 1.00 0.00 C ATOM 1616 CD PRO B 18 -8.017 3.758 -6.910 1.00 0.00 C ATOM 0 HA PRO B 18 -10.409 4.136 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.837 4.507 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.624 5.684 -9.083 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.492 3.711 -8.416 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -6.783 5.302 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.412 3.008 -6.400 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.298 4.502 -6.164 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.425 2.541 -10.788 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.596 1.518 -11.824 1.00 0.00 C ATOM 1626 C ALA B 19 -9.389 1.475 -12.752 1.00 0.00 C ATOM 1627 O ALA B 19 -9.043 0.429 -13.298 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.869 1.771 -12.615 1.00 0.00 C ATOM 0 H ALA B 19 -11.154 3.254 -10.794 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.679 0.548 -11.333 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.981 1.003 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.727 1.742 -11.943 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.814 2.750 -13.090 1.00 0.00 H new ATOM 1634 N THR B 20 -8.747 2.614 -12.890 1.00 0.00 N ATOM 1635 CA THR B 20 -7.549 2.777 -13.670 1.00 0.00 C ATOM 1636 C THR B 20 -6.429 1.844 -13.139 1.00 0.00 C ATOM 1637 O THR B 20 -5.716 1.211 -13.899 1.00 0.00 O ATOM 1638 CB THR B 20 -7.099 4.225 -13.506 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.271 5.068 -13.494 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.196 4.638 -14.648 1.00 0.00 C ATOM 0 H THR B 20 -9.058 3.478 -12.446 1.00 0.00 H new ATOM 0 HA THR B 20 -7.743 2.530 -14.714 1.00 0.00 H new ATOM 0 HB THR B 20 -6.542 4.326 -12.574 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.000 6.004 -13.387 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.887 5.674 -14.511 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.315 3.996 -14.666 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.735 4.542 -15.591 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.343 1.740 -11.825 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.308 0.951 -11.162 1.00 0.00 C ATOM 1650 C LEU B 21 -5.678 -0.483 -11.141 1.00 0.00 C ATOM 1651 O LEU B 21 -4.822 -1.352 -11.181 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.062 1.452 -9.756 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.112 2.632 -9.608 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.682 2.191 -9.871 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.472 3.767 -10.553 1.00 0.00 C ATOM 0 H LEU B 21 -6.988 2.199 -11.182 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.385 1.063 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.022 1.731 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.672 0.625 -9.163 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.204 2.998 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.012 3.044 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.403 1.417 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.604 1.795 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.771 4.590 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.421 3.413 -11.583 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.483 4.113 -10.338 1.00 0.00 H new ATOM 1667 N MET B 22 -6.952 -0.716 -11.061 1.00 0.00 N ATOM 1668 CA MET B 22 -7.506 -2.071 -11.175 1.00 0.00 C ATOM 1669 C MET B 22 -6.999 -2.718 -12.446 1.00 0.00 C ATOM 1670 O MET B 22 -6.485 -3.837 -12.443 1.00 0.00 O ATOM 1671 CB MET B 22 -9.030 -2.031 -11.187 1.00 0.00 C ATOM 1672 CG MET B 22 -9.668 -1.579 -9.890 1.00 0.00 C ATOM 1673 SD MET B 22 -9.497 -2.774 -8.573 1.00 0.00 S ATOM 1674 CE MET B 22 -10.416 -4.132 -9.284 1.00 0.00 C ATOM 0 H MET B 22 -7.652 0.011 -10.916 1.00 0.00 H new ATOM 0 HA MET B 22 -7.184 -2.655 -10.313 1.00 0.00 H new ATOM 0 HB2 MET B 22 -9.355 -1.364 -11.986 1.00 0.00 H new ATOM 0 HB3 MET B 22 -9.403 -3.026 -11.431 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.217 -0.637 -9.579 1.00 0.00 H new ATOM 0 HG3 MET B 22 -10.727 -1.384 -10.061 1.00 0.00 H new ATOM 0 HE1 MET B 22 -10.582 -4.896 -8.524 1.00 0.00 H new ATOM 0 HE2 MET B 22 -11.376 -3.769 -9.650 1.00 0.00 H new ATOM 0 HE3 MET B 22 -9.850 -4.560 -10.112 1.00 0.00 H new ATOM 1684 N GLN B 23 -7.116 -1.978 -13.504 1.00 0.00 N ATOM 1685 CA GLN B 23 -6.627 -2.373 -14.807 1.00 0.00 C ATOM 1686 C GLN B 23 -5.114 -2.407 -14.847 1.00 0.00 C ATOM 1687 O GLN B 23 -4.525 -3.264 -15.497 1.00 0.00 O ATOM 1688 CB GLN B 23 -7.107 -1.391 -15.840 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.591 -1.324 -15.947 1.00 0.00 C ATOM 1690 CD GLN B 23 -9.049 -0.324 -16.970 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.360 -0.049 -17.952 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -10.207 0.216 -16.766 1.00 0.00 N ATOM 0 H GLN B 23 -7.562 -1.061 -13.496 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.006 -3.374 -15.015 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.723 -0.401 -15.596 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.692 -1.664 -16.810 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.978 -2.309 -16.208 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -9.011 -1.063 -14.975 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -10.749 -0.037 -15.940 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -10.577 0.895 -17.431 1.00 0.00 H new ATOM 1701 N ALA B 24 -4.494 -1.506 -14.121 1.00 0.00 N ATOM 1702 CA ALA B 24 -3.037 -1.351 -14.183 1.00 0.00 C ATOM 1703 C ALA B 24 -2.316 -2.470 -13.449 1.00 0.00 C ATOM 1704 O ALA B 24 -1.181 -2.842 -13.784 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.615 0.005 -13.643 1.00 0.00 C ATOM 0 H ALA B 24 -4.962 -0.866 -13.480 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.749 -1.411 -15.233 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.530 0.097 -13.699 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.077 0.793 -14.237 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.934 0.099 -12.605 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.960 -2.991 -12.446 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.408 -4.059 -11.661 1.00 0.00 C ATOM 1713 C LEU B 25 -3.024 -5.396 -12.040 1.00 0.00 C ATOM 1714 O LEU B 25 -2.645 -6.439 -11.509 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.580 -3.742 -10.198 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.844 -2.491 -9.740 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.258 -2.138 -8.345 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.333 -2.697 -9.820 1.00 0.00 C ATOM 0 H LEU B 25 -3.887 -2.687 -12.147 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.341 -4.147 -11.867 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.643 -3.623 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.231 -4.591 -9.610 1.00 0.00 H new ATOM 0 HG LEU B 25 -2.107 -1.666 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.727 -1.242 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.332 -1.952 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.017 -2.963 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.176 -1.792 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.045 -3.530 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -0.050 -2.916 -10.849 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.965 -5.341 -12.991 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.624 -6.524 -13.588 1.00 0.00 C ATOM 1732 C ASN B 26 -5.480 -7.303 -12.591 1.00 0.00 C ATOM 1733 O ASN B 26 -5.552 -8.542 -12.648 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.595 -7.461 -14.268 1.00 0.00 C ATOM 1735 CG ASN B 26 -2.917 -6.831 -15.471 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.408 -6.935 -16.595 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -1.781 -6.213 -15.261 1.00 0.00 N ATOM 0 H ASN B 26 -4.300 -4.459 -13.379 1.00 0.00 H new ATOM 0 HA ASN B 26 -5.301 -6.135 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.836 -7.747 -13.539 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -4.098 -8.376 -14.580 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -1.274 -5.799 -16.043 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.404 -6.146 -14.316 1.00 0.00 H new ATOM 1744 N LEU B 27 -6.161 -6.603 -11.717 1.00 0.00 N ATOM 1745 CA LEU B 27 -7.005 -7.242 -10.785 1.00 0.00 C ATOM 1746 C LEU B 27 -8.464 -6.983 -11.116 1.00 0.00 C ATOM 1747 O LEU B 27 -8.803 -6.017 -11.821 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.714 -6.824 -9.355 1.00 0.00 C ATOM 1749 CG LEU B 27 -6.975 -5.382 -8.961 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.407 -5.354 -7.525 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -5.727 -4.549 -9.108 1.00 0.00 C ATOM 0 H LEU B 27 -6.135 -5.586 -11.646 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.802 -8.310 -10.860 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.304 -7.461 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.665 -7.040 -9.152 1.00 0.00 H new ATOM 0 HG LEU B 27 -7.747 -4.971 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.600 -4.325 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.317 -5.943 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.619 -5.774 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.940 -3.520 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.944 -4.951 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.393 -4.573 -10.145 1.00 0.00 H new ATOM 1763 N ASN B 28 -9.304 -7.846 -10.623 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.751 -7.761 -10.799 1.00 0.00 C ATOM 1765 C ASN B 28 -11.446 -7.632 -9.464 1.00 0.00 C ATOM 1766 O ASN B 28 -10.804 -7.568 -8.430 1.00 0.00 O ATOM 1767 CB ASN B 28 -11.305 -9.007 -11.542 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.844 -10.384 -10.989 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.595 -10.499 -9.701 1.00 0.00 O flip ATOM 1770 ND2 ASN B 28 -10.734 -11.348 -11.738 1.00 0.00 N flip ATOM 0 H ASN B 28 -9.010 -8.653 -10.072 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.950 -6.874 -11.401 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -12.394 -8.970 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -11.013 -8.941 -12.590 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -10.930 -11.245 -12.734 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -10.447 -12.253 -11.366 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.744 -7.602 -9.491 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.528 -7.598 -8.285 1.00 0.00 C ATOM 1779 C ILE B 29 -13.456 -8.984 -7.608 1.00 0.00 C ATOM 1780 O ILE B 29 -13.420 -10.020 -8.283 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.994 -7.187 -8.591 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -15.090 -5.686 -8.947 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.956 -7.532 -7.449 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.675 -4.746 -7.833 1.00 0.00 C ATOM 0 H ILE B 29 -13.294 -7.579 -10.350 1.00 0.00 H new ATOM 0 HA ILE B 29 -13.120 -6.861 -7.593 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.303 -7.772 -9.457 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.466 -5.492 -9.819 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -16.117 -5.459 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.966 -7.222 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.941 -8.608 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.646 -7.012 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.774 -3.715 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -15.314 -4.906 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.638 -4.940 -7.561 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.376 -8.954 -6.288 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.274 -10.112 -5.379 1.00 0.00 C ATOM 1798 C ASP B 30 -11.898 -10.744 -5.486 1.00 0.00 C ATOM 1799 O ASP B 30 -11.682 -11.898 -5.154 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.410 -11.136 -5.565 1.00 0.00 C ATOM 1801 CG ASP B 30 -14.702 -11.897 -4.274 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.430 -11.346 -3.404 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -14.252 -13.052 -4.093 1.00 0.00 O ATOM 0 H ASP B 30 -13.380 -8.070 -5.779 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.400 -9.739 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -15.312 -10.622 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -14.139 -11.842 -6.350 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.952 -9.929 -5.904 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.573 -10.330 -6.036 1.00 0.00 C ATOM 1810 C ASP B 31 -8.976 -10.280 -4.668 1.00 0.00 C ATOM 1811 O ASP B 31 -9.147 -9.281 -3.952 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.837 -9.351 -6.948 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.501 -9.855 -7.475 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -6.487 -9.733 -6.807 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -7.461 -10.376 -8.628 1.00 0.00 O ATOM 0 H ASP B 31 -11.125 -8.958 -6.164 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.495 -11.329 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.480 -9.112 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.670 -8.422 -6.402 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.381 -11.354 -4.282 1.00 0.00 N ATOM 1821 CA GLU B 32 -7.756 -11.495 -3.006 1.00 0.00 C ATOM 1822 C GLU B 32 -6.522 -10.594 -2.932 1.00 0.00 C ATOM 1823 O GLU B 32 -5.736 -10.543 -3.869 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.411 -12.975 -2.809 1.00 0.00 C ATOM 1825 CG GLU B 32 -6.641 -13.294 -1.558 1.00 0.00 C ATOM 1826 CD GLU B 32 -6.347 -14.763 -1.434 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -5.425 -15.259 -2.097 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.034 -15.460 -0.666 1.00 0.00 O ATOM 0 H GLU B 32 -8.312 -12.189 -4.863 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.423 -11.183 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -8.337 -13.549 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -6.832 -13.314 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.705 -12.736 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -7.210 -12.964 -0.689 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.374 -9.857 -1.837 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.252 -8.955 -1.696 1.00 0.00 C ATOM 1837 C VAL B 33 -4.599 -9.119 -0.323 1.00 0.00 C ATOM 1838 O VAL B 33 -5.280 -9.436 0.679 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.605 -7.432 -1.972 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.472 -7.268 -3.192 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.268 -6.756 -0.801 1.00 0.00 C ATOM 0 H VAL B 33 -7.015 -9.870 -1.043 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.543 -9.239 -2.474 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.644 -6.946 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.690 -6.211 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.950 -7.660 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.405 -7.814 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.483 -5.718 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.198 -7.272 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.603 -6.789 0.062 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.291 -8.954 -0.282 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.542 -9.035 0.957 1.00 0.00 C ATOM 1853 C LYS B 34 -2.252 -7.643 1.464 1.00 0.00 C ATOM 1854 O LYS B 34 -1.819 -6.775 0.692 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.228 -9.790 0.753 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.405 -11.248 0.363 1.00 0.00 C ATOM 1857 CD LYS B 34 -0.069 -11.955 0.164 1.00 0.00 C ATOM 1858 CE LYS B 34 0.723 -11.403 -1.005 1.00 0.00 C ATOM 1859 NZ LYS B 34 2.013 -12.095 -1.142 1.00 0.00 N ATOM 0 H LYS B 34 -2.719 -8.761 -1.104 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.142 -9.578 1.688 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -0.648 -9.286 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.645 -9.739 1.673 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.975 -11.763 1.136 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -1.987 -11.309 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.524 -11.863 1.074 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.247 -13.019 0.006 1.00 0.00 H new ATOM 0 HE2 LYS B 34 0.147 -11.514 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.892 -10.336 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 2.536 -11.699 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 2.570 -11.967 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.848 -13.109 -1.301 1.00 0.00 H new ATOM 1873 N ILE B 35 -2.501 -7.429 2.733 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.267 -6.158 3.362 1.00 0.00 C ATOM 1875 C ILE B 35 -1.236 -6.365 4.441 1.00 0.00 C ATOM 1876 O ILE B 35 -1.491 -7.086 5.406 1.00 0.00 O ATOM 1877 CB ILE B 35 -3.558 -5.550 4.048 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -4.749 -5.351 3.078 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.240 -4.230 4.739 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -5.505 -6.612 2.713 1.00 0.00 C ATOM 0 H ILE B 35 -2.875 -8.140 3.361 1.00 0.00 H new ATOM 0 HA ILE B 35 -1.947 -5.463 2.586 1.00 0.00 H new ATOM 0 HB ILE B 35 -3.868 -6.292 4.784 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.448 -4.645 3.527 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.377 -4.892 2.162 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.144 -3.834 5.202 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -2.482 -4.394 5.505 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -2.866 -3.516 4.005 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.318 -6.364 2.031 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -4.827 -7.316 2.230 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -5.915 -7.065 3.616 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.089 -5.781 4.298 1.00 0.00 N ATOM 1893 CA ASP B 36 0.921 -5.918 5.326 1.00 0.00 C ATOM 1894 C ASP B 36 1.334 -4.550 5.795 1.00 0.00 C ATOM 1895 O ASP B 36 1.397 -3.619 5.003 1.00 0.00 O ATOM 1896 CB ASP B 36 2.125 -6.731 4.839 1.00 0.00 C ATOM 1897 CG ASP B 36 3.027 -7.127 5.986 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.497 -7.507 7.068 1.00 0.00 O ATOM 1899 OD2 ASP B 36 4.273 -7.057 5.844 1.00 0.00 O ATOM 0 H ASP B 36 0.180 -5.211 3.496 1.00 0.00 H new ATOM 0 HA ASP B 36 0.497 -6.472 6.163 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.776 -7.626 4.323 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.691 -6.146 4.115 1.00 0.00 H new ATOM 1904 N LEU B 37 1.558 -4.393 7.070 1.00 0.00 N ATOM 1905 CA LEU B 37 1.905 -3.162 7.602 1.00 0.00 C ATOM 1906 C LEU B 37 3.409 -3.101 7.646 1.00 0.00 C ATOM 1907 O LEU B 37 4.066 -3.976 8.208 1.00 0.00 O ATOM 1908 CB LEU B 37 1.311 -3.051 9.000 1.00 0.00 C ATOM 1909 CG LEU B 37 1.105 -1.651 9.568 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.392 -0.896 9.659 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.080 -0.903 8.762 1.00 0.00 C ATOM 0 H LEU B 37 1.496 -5.146 7.756 1.00 0.00 H new ATOM 0 HA LEU B 37 1.523 -2.336 7.002 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.346 -3.558 8.997 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.957 -3.600 9.685 1.00 0.00 H new ATOM 0 HG LEU B 37 0.728 -1.752 10.586 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.203 0.097 10.068 1.00 0.00 H new ATOM 0 HD12 LEU B 37 3.083 -1.432 10.310 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.829 -0.802 8.665 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.055 0.094 9.181 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.419 -0.820 7.729 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.868 -1.440 8.791 1.00 0.00 H new ATOM 1923 N VAL B 38 3.931 -2.083 7.064 1.00 0.00 N ATOM 1924 CA VAL B 38 5.371 -1.859 7.009 1.00 0.00 C ATOM 1925 C VAL B 38 5.657 -0.375 7.150 1.00 0.00 C ATOM 1926 O VAL B 38 5.411 0.393 6.226 1.00 0.00 O ATOM 1927 CB VAL B 38 6.053 -2.363 5.688 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.558 -2.150 5.760 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.748 -3.833 5.396 1.00 0.00 C ATOM 0 H VAL B 38 3.382 -1.359 6.600 1.00 0.00 H new ATOM 0 HA VAL B 38 5.792 -2.440 7.830 1.00 0.00 H new ATOM 0 HB VAL B 38 5.636 -1.776 4.869 1.00 0.00 H new ATOM 0 HG11 VAL B 38 8.020 -2.503 4.838 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.770 -1.088 5.888 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.964 -2.705 6.605 1.00 0.00 H new ATOM 0 HG21 VAL B 38 6.243 -4.131 4.472 1.00 0.00 H new ATOM 0 HG22 VAL B 38 6.111 -4.450 6.218 1.00 0.00 H new ATOM 0 HG23 VAL B 38 4.671 -3.967 5.290 1.00 0.00 H new ATOM 1939 N ASP B 39 6.131 0.011 8.319 1.00 0.00 N ATOM 1940 CA ASP B 39 6.506 1.402 8.658 1.00 0.00 C ATOM 1941 C ASP B 39 5.377 2.394 8.364 1.00 0.00 C ATOM 1942 O ASP B 39 5.455 3.234 7.449 1.00 0.00 O ATOM 1943 CB ASP B 39 7.843 1.846 8.017 1.00 0.00 C ATOM 1944 CG ASP B 39 8.338 3.185 8.561 1.00 0.00 C ATOM 1945 OD1 ASP B 39 8.941 3.207 9.675 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.151 4.234 7.904 1.00 0.00 O ATOM 0 H ASP B 39 6.276 -0.639 9.091 1.00 0.00 H new ATOM 0 HA ASP B 39 6.670 1.409 9.736 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.600 1.082 8.197 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.717 1.921 6.937 1.00 0.00 H new ATOM 1951 N GLY B 40 4.275 2.194 9.063 1.00 0.00 N ATOM 1952 CA GLY B 40 3.113 3.057 8.948 1.00 0.00 C ATOM 1953 C GLY B 40 2.351 2.931 7.629 1.00 0.00 C ATOM 1954 O GLY B 40 1.374 3.645 7.413 1.00 0.00 O ATOM 0 H GLY B 40 4.160 1.428 9.727 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.431 2.836 9.769 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.433 4.092 9.070 1.00 0.00 H new ATOM 1958 N LYS B 41 2.782 2.041 6.762 1.00 0.00 N ATOM 1959 CA LYS B 41 2.152 1.886 5.468 1.00 0.00 C ATOM 1960 C LYS B 41 1.303 0.663 5.431 1.00 0.00 C ATOM 1961 O LYS B 41 1.668 -0.376 6.001 1.00 0.00 O ATOM 1962 CB LYS B 41 3.187 1.675 4.376 1.00 0.00 C ATOM 1963 CG LYS B 41 4.257 2.702 4.264 1.00 0.00 C ATOM 1964 CD LYS B 41 3.763 4.018 3.758 1.00 0.00 C ATOM 1965 CE LYS B 41 4.931 4.943 3.602 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.529 5.340 4.887 1.00 0.00 N ATOM 0 H LYS B 41 3.568 1.412 6.930 1.00 0.00 H new ATOM 0 HA LYS B 41 1.570 2.794 5.308 1.00 0.00 H new ATOM 0 HB2 LYS B 41 3.660 0.707 4.538 1.00 0.00 H new ATOM 0 HB3 LYS B 41 2.667 1.620 3.420 1.00 0.00 H new ATOM 0 HG2 LYS B 41 4.716 2.846 5.242 1.00 0.00 H new ATOM 0 HG3 LYS B 41 5.036 2.333 3.597 1.00 0.00 H new ATOM 0 HD2 LYS B 41 3.254 3.888 2.803 1.00 0.00 H new ATOM 0 HD3 LYS B 41 3.036 4.441 4.452 1.00 0.00 H new ATOM 0 HE2 LYS B 41 5.691 4.459 2.989 1.00 0.00 H new ATOM 0 HE3 LYS B 41 4.610 5.836 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.240 6.081 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 4.787 5.705 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 5.983 4.515 5.328 1.00 0.00 H new ATOM 1980 N LEU B 42 0.209 0.768 4.746 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.566 -0.376 4.397 1.00 0.00 C ATOM 1982 C LEU B 42 -0.081 -0.785 3.052 1.00 0.00 C ATOM 1983 O LEU B 42 -0.361 -0.147 2.047 1.00 0.00 O ATOM 1984 CB LEU B 42 -2.060 -0.080 4.390 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.642 0.213 5.748 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.978 0.928 5.618 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.827 -1.074 6.536 1.00 0.00 C ATOM 0 H LEU B 42 -0.172 1.653 4.413 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.443 -1.173 5.130 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.246 0.772 3.737 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.585 -0.933 3.959 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.945 0.861 6.280 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.381 1.130 6.611 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.837 1.868 5.085 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.675 0.299 5.065 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.248 -0.844 7.515 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.503 -1.737 5.996 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.862 -1.565 6.663 1.00 0.00 H new ATOM 1999 N ILE B 43 0.739 -1.749 3.071 1.00 0.00 N ATOM 2000 CA ILE B 43 1.379 -2.248 1.891 1.00 0.00 C ATOM 2001 C ILE B 43 0.445 -3.216 1.216 1.00 0.00 C ATOM 2002 O ILE B 43 -0.055 -4.155 1.845 1.00 0.00 O ATOM 2003 CB ILE B 43 2.716 -2.919 2.257 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.704 -1.909 2.886 1.00 0.00 C ATOM 2005 CG2 ILE B 43 3.332 -3.685 1.105 1.00 0.00 C ATOM 2006 CD1 ILE B 43 4.085 -0.718 2.011 1.00 0.00 C ATOM 0 H ILE B 43 1.005 -2.241 3.924 1.00 0.00 H new ATOM 0 HA ILE B 43 1.602 -1.431 1.205 1.00 0.00 H new ATOM 0 HB ILE B 43 2.488 -3.667 3.016 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.268 -1.531 3.811 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.615 -2.442 3.158 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.271 -4.134 1.428 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.647 -4.469 0.782 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.521 -3.004 0.275 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.781 -0.077 2.552 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.557 -1.075 1.096 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.189 -0.150 1.759 1.00 0.00 H new ATOM 2018 N ILE B 44 0.207 -2.984 -0.048 1.00 0.00 N ATOM 2019 CA ILE B 44 -0.787 -3.726 -0.781 1.00 0.00 C ATOM 2020 C ILE B 44 -0.171 -4.350 -2.013 1.00 0.00 C ATOM 2021 O ILE B 44 0.392 -3.656 -2.851 1.00 0.00 O ATOM 2022 CB ILE B 44 -1.966 -2.807 -1.241 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -2.602 -2.030 -0.065 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.034 -3.603 -1.999 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.242 -2.893 0.999 1.00 0.00 C ATOM 0 H ILE B 44 0.695 -2.277 -0.598 1.00 0.00 H new ATOM 0 HA ILE B 44 -1.170 -4.496 -0.111 1.00 0.00 H new ATOM 0 HB ILE B 44 -1.535 -2.072 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -1.833 -1.414 0.402 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.356 -1.351 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -3.838 -2.934 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.588 -4.061 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.436 -4.382 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.660 -2.258 1.780 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -4.037 -3.490 0.553 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.491 -3.554 1.432 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.281 -5.629 -2.095 1.00 0.00 N ATOM 2038 CA GLU B 45 0.147 -6.418 -3.232 1.00 0.00 C ATOM 2039 C GLU B 45 -1.051 -7.298 -3.538 1.00 0.00 C ATOM 2040 O GLU B 45 -1.683 -7.815 -2.586 1.00 0.00 O ATOM 2041 CB GLU B 45 1.380 -7.276 -2.814 1.00 0.00 C ATOM 2042 CG GLU B 45 1.896 -8.354 -3.810 1.00 0.00 C ATOM 2043 CD GLU B 45 2.642 -7.823 -5.034 1.00 0.00 C ATOM 2044 OE1 GLU B 45 3.790 -7.333 -4.878 1.00 0.00 O ATOM 2045 OE2 GLU B 45 2.125 -7.932 -6.165 1.00 0.00 O ATOM 0 H GLU B 45 -0.687 -6.193 -1.348 1.00 0.00 H new ATOM 0 HA GLU B 45 0.445 -5.824 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU B 45 2.204 -6.594 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU B 45 1.135 -7.778 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU B 45 2.557 -9.033 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU B 45 1.045 -8.942 -4.153 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.430 -7.479 -4.802 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.568 -8.243 -5.128 1.00 0.00 C ATOM 2054 C PRO B 46 -2.209 -9.697 -5.088 1.00 0.00 C ATOM 2055 O PRO B 46 -1.024 -10.061 -4.961 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.937 -7.814 -6.553 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.869 -6.883 -6.979 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.741 -7.049 -6.003 1.00 0.00 C ATOM 0 HA PRO B 46 -3.398 -8.090 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.995 -8.675 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.912 -7.328 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.540 -7.109 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.230 -5.855 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.016 -7.789 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.197 -6.117 -5.848 1.00 0.00 H new ATOM 2066 N VAL B 47 -3.154 -10.528 -5.171 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.849 -11.922 -5.148 1.00 0.00 C ATOM 2068 C VAL B 47 -3.406 -12.530 -6.378 1.00 0.00 C ATOM 2069 O VAL B 47 -4.575 -12.892 -6.448 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.384 -12.678 -3.912 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.719 -13.998 -3.778 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.192 -11.910 -2.655 1.00 0.00 C ATOM 0 H VAL B 47 -4.143 -10.292 -5.255 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.764 -12.011 -5.094 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.454 -12.814 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.110 -14.515 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.914 -14.596 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.644 -13.854 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -3.584 -12.483 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.129 -11.723 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -3.722 -10.960 -2.725 1.00 0.00 H new