USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -0.698 K(o=-0.7,f=-3.2!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.093) USER MOD Single : A 51 ASN : amide:sc= -0.585 X(o=-0.59,f=-0.23) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00845) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 100:sc= -0.124 USER MOD Single : A 64 ASN : amide:sc= -0.588 K(o=-0.59,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.693 K(o=-0.69,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.642 0.887 -10.191 1.00 0.00 N ATOM 230 CA LEU A 19 -4.508 0.473 -11.011 1.00 0.00 C ATOM 231 C LEU A 19 -3.853 -0.781 -10.440 1.00 0.00 C ATOM 232 O LEU A 19 -3.958 -1.060 -9.245 1.00 0.00 O ATOM 233 CB LEU A 19 -3.481 1.602 -11.103 1.00 0.00 C ATOM 234 CG LEU A 19 -3.531 2.453 -12.373 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.468 3.932 -12.027 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.396 2.075 -13.314 1.00 0.00 C ATOM 0 HA LEU A 19 -4.878 0.245 -12.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.615 2.259 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.485 1.168 -11.020 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.476 2.259 -12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.505 4.522 -12.943 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.315 4.194 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.539 4.142 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.448 2.691 -14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.440 2.239 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.486 1.024 -13.589 1.00 0.00 H new ATOM 248 N LEU A 20 -3.176 -1.532 -11.301 1.00 0.00 N ATOM 249 CA LEU A 20 -2.501 -2.756 -10.882 1.00 0.00 C ATOM 250 C LEU A 20 -1.002 -2.524 -10.724 1.00 0.00 C ATOM 251 O LEU A 20 -0.422 -1.668 -11.393 1.00 0.00 O ATOM 252 CB LEU A 20 -2.752 -3.873 -11.897 1.00 0.00 C ATOM 253 CG LEU A 20 -2.423 -5.291 -11.429 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.188 -5.625 -10.158 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.738 -6.300 -12.524 1.00 0.00 C ATOM 0 H LEU A 20 -3.080 -1.316 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.908 -3.054 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.802 -3.842 -12.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.166 -3.662 -12.792 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.356 -5.343 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.941 -6.638 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.913 -4.921 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.259 -5.556 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.498 -7.304 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.798 -6.247 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.144 -6.073 -13.410 1.00 0.00 H new ATOM 267 N TYR A 21 -0.380 -3.293 -9.837 1.00 0.00 N ATOM 268 CA TYR A 21 1.052 -3.171 -9.591 1.00 0.00 C ATOM 269 C TYR A 21 1.707 -4.545 -9.495 1.00 0.00 C ATOM 270 O TYR A 21 1.049 -5.539 -9.186 1.00 0.00 O ATOM 271 CB TYR A 21 1.304 -2.382 -8.305 1.00 0.00 C ATOM 272 CG TYR A 21 1.435 -0.892 -8.524 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.311 -0.078 -8.589 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.683 -0.298 -8.667 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.426 1.284 -8.790 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.807 1.063 -8.867 1.00 0.00 C ATOM 277 CZ TYR A 21 1.676 1.850 -8.928 1.00 0.00 C ATOM 278 OH TYR A 21 1.795 3.206 -9.128 1.00 0.00 O ATOM 0 H TYR A 21 -0.845 -4.007 -9.277 1.00 0.00 H new ATOM 0 HA TYR A 21 1.495 -2.635 -10.431 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.486 -2.568 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.214 -2.753 -7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.670 -0.518 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.571 -0.911 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.458 1.902 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.785 1.509 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 21 2.743 3.444 -9.204 1.00 0.00 H new ATOM 288 N ARG A 22 3.008 -4.593 -9.762 1.00 0.00 N ATOM 289 CA ARG A 22 3.754 -5.845 -9.707 1.00 0.00 C ATOM 290 C ARG A 22 5.231 -5.586 -9.425 1.00 0.00 C ATOM 291 O ARG A 22 5.745 -4.502 -9.703 1.00 0.00 O ATOM 292 CB ARG A 22 3.601 -6.612 -11.021 1.00 0.00 C ATOM 293 CG ARG A 22 2.409 -7.555 -11.041 1.00 0.00 C ATOM 294 CD ARG A 22 2.333 -8.330 -12.348 1.00 0.00 C ATOM 295 NE ARG A 22 1.229 -7.877 -13.189 1.00 0.00 N ATOM 296 CZ ARG A 22 1.145 -8.131 -14.491 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.095 -8.830 -15.096 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.108 -7.686 -15.189 1.00 0.00 N ATOM 0 H ARG A 22 3.567 -3.780 -10.019 1.00 0.00 H new ATOM 0 HA ARG A 22 3.347 -6.446 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.503 -5.898 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.510 -7.185 -11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.482 -8.253 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.490 -6.985 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.272 -8.218 -12.891 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.213 -9.392 -12.133 1.00 0.00 H new ATOM 0 HE ARG A 22 0.482 -7.336 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.893 -9.174 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.028 -9.023 -16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.625 -7.149 -14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.044 -7.881 -16.188 1.00 0.00 H new ATOM 312 N ILE A 23 5.906 -6.587 -8.871 1.00 0.00 N ATOM 313 CA ILE A 23 7.324 -6.467 -8.552 1.00 0.00 C ATOM 314 C ILE A 23 8.190 -6.828 -9.754 1.00 0.00 C ATOM 315 O ILE A 23 7.766 -7.574 -10.637 1.00 0.00 O ATOM 316 CB ILE A 23 7.712 -7.368 -7.365 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.374 -8.828 -7.673 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.003 -6.910 -6.099 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.251 -9.819 -6.940 1.00 0.00 C ATOM 0 H ILE A 23 5.495 -7.490 -8.634 1.00 0.00 H new ATOM 0 HA ILE A 23 7.499 -5.426 -8.280 1.00 0.00 H new ATOM 0 HB ILE A 23 8.787 -7.290 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.332 -9.014 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.468 -8.996 -8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.287 -7.556 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.289 -5.883 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.924 -6.962 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.955 -10.834 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.292 -9.660 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.139 -9.679 -5.865 1.00 0.00 H new ATOM 331 N LYS A 24 9.407 -6.295 -9.781 1.00 0.00 N ATOM 332 CA LYS A 24 10.336 -6.562 -10.872 1.00 0.00 C ATOM 333 C LYS A 24 11.456 -7.493 -10.418 1.00 0.00 C ATOM 334 O LYS A 24 12.245 -7.146 -9.538 1.00 0.00 O ATOM 335 CB LYS A 24 10.928 -5.253 -11.397 1.00 0.00 C ATOM 336 CG LYS A 24 10.935 -5.153 -12.913 1.00 0.00 C ATOM 337 CD LYS A 24 11.960 -6.089 -13.529 1.00 0.00 C ATOM 338 CE LYS A 24 11.580 -6.476 -14.950 1.00 0.00 C ATOM 339 NZ LYS A 24 11.030 -7.858 -15.021 1.00 0.00 N ATOM 0 H LYS A 24 9.773 -5.675 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 24 9.784 -7.051 -11.674 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.359 -4.417 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.949 -5.153 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.944 -5.393 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.153 -4.127 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.938 -5.608 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.048 -6.987 -12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.842 -5.771 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.457 -6.401 -15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.783 -8.083 -16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.743 -8.533 -14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.179 -7.924 -14.427 1.00 0.00 H new ATOM 583 N LEU A 41 7.404 -3.409 3.860 1.00 0.00 N ATOM 584 CA LEU A 41 6.053 -3.870 4.164 1.00 0.00 C ATOM 585 C LEU A 41 5.176 -3.847 2.916 1.00 0.00 C ATOM 586 O LEU A 41 4.250 -4.647 2.781 1.00 0.00 O ATOM 587 CB LEU A 41 5.430 -2.998 5.255 1.00 0.00 C ATOM 588 CG LEU A 41 4.095 -3.484 5.822 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.293 -4.750 6.641 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.446 -2.397 6.666 1.00 0.00 C ATOM 0 HA LEU A 41 6.118 -4.898 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.142 -2.915 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.288 -1.995 4.853 1.00 0.00 H new ATOM 0 HG LEU A 41 3.431 -3.714 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.333 -5.081 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.714 -5.531 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.975 -4.546 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.497 -2.761 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.107 -2.135 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.268 -1.515 6.050 1.00 0.00 H new ATOM 602 N VAL A 42 5.476 -2.928 2.005 1.00 0.00 N ATOM 603 CA VAL A 42 4.717 -2.803 0.766 1.00 0.00 C ATOM 604 C VAL A 42 5.272 -3.726 -0.313 1.00 0.00 C ATOM 605 O VAL A 42 4.522 -4.444 -0.976 1.00 0.00 O ATOM 606 CB VAL A 42 4.730 -1.354 0.243 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.905 -1.238 -1.029 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.218 -0.399 1.310 1.00 0.00 C ATOM 0 H VAL A 42 6.240 -2.259 2.101 1.00 0.00 H new ATOM 0 HA VAL A 42 3.690 -3.090 0.993 1.00 0.00 H new ATOM 0 HB VAL A 42 5.758 -1.080 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.926 -0.207 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.322 -1.893 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.875 -1.530 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.234 0.620 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.197 -0.669 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.856 -0.463 2.192 1.00 0.00 H new ATOM 618 N TYR A 43 6.589 -3.703 -0.484 1.00 0.00 N ATOM 619 CA TYR A 43 7.245 -4.537 -1.485 1.00 0.00 C ATOM 620 C TYR A 43 6.956 -6.014 -1.236 1.00 0.00 C ATOM 621 O TYR A 43 6.967 -6.824 -2.164 1.00 0.00 O ATOM 622 CB TYR A 43 8.754 -4.292 -1.474 1.00 0.00 C ATOM 623 CG TYR A 43 9.502 -5.068 -2.534 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.936 -6.366 -2.295 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.775 -4.504 -3.774 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.621 -7.079 -3.261 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.456 -5.210 -4.746 1.00 0.00 C ATOM 628 CZ TYR A 43 10.878 -6.497 -4.484 1.00 0.00 C ATOM 629 OH TYR A 43 11.558 -7.204 -5.449 1.00 0.00 O ATOM 0 H TYR A 43 7.224 -3.116 0.057 1.00 0.00 H new ATOM 0 HA TYR A 43 6.848 -4.267 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.942 -3.228 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.150 -4.558 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.735 -6.826 -1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.449 -3.496 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.953 -8.087 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.657 -4.757 -5.706 1.00 0.00 H new ATOM 0 HH TYR A 43 11.655 -6.651 -6.252 1.00 0.00 H new ATOM 639 N GLN A 44 6.699 -6.357 0.022 1.00 0.00 N ATOM 640 CA GLN A 44 6.408 -7.737 0.393 1.00 0.00 C ATOM 641 C GLN A 44 5.041 -8.164 -0.131 1.00 0.00 C ATOM 642 O GLN A 44 4.886 -9.262 -0.666 1.00 0.00 O ATOM 643 CB GLN A 44 6.458 -7.899 1.913 1.00 0.00 C ATOM 644 CG GLN A 44 7.866 -8.075 2.460 1.00 0.00 C ATOM 645 CD GLN A 44 8.453 -9.435 2.135 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.254 -10.401 2.871 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.180 -9.517 1.027 1.00 0.00 N ATOM 0 H GLN A 44 6.686 -5.699 0.801 1.00 0.00 H new ATOM 0 HA GLN A 44 7.166 -8.377 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.003 -7.025 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.856 -8.762 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.511 -7.298 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.851 -7.939 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.319 -8.690 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.599 -10.407 0.757 1.00 0.00 H new ATOM 656 N ILE A 45 4.052 -7.291 0.028 1.00 0.00 N ATOM 657 CA ILE A 45 2.698 -7.578 -0.430 1.00 0.00 C ATOM 658 C ILE A 45 2.635 -7.643 -1.952 1.00 0.00 C ATOM 659 O ILE A 45 2.070 -8.578 -2.521 1.00 0.00 O ATOM 660 CB ILE A 45 1.698 -6.519 0.069 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.725 -6.442 1.597 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.296 -6.840 -0.426 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.998 -5.237 2.154 1.00 0.00 C ATOM 0 H ILE A 45 4.163 -6.379 0.471 1.00 0.00 H new ATOM 0 HA ILE A 45 2.424 -8.548 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 45 1.989 -5.548 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.277 -7.348 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.762 -6.419 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.400 -6.082 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.288 -6.850 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.007 -7.818 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.058 -5.247 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.459 -4.326 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.048 -5.269 1.848 1.00 0.00 H new ATOM 675 N ILE A 46 3.220 -6.646 -2.606 1.00 0.00 N ATOM 676 CA ILE A 46 3.233 -6.591 -4.063 1.00 0.00 C ATOM 677 C ILE A 46 3.909 -7.824 -4.653 1.00 0.00 C ATOM 678 O ILE A 46 3.503 -8.324 -5.701 1.00 0.00 O ATOM 679 CB ILE A 46 3.955 -5.330 -4.573 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.297 -4.073 -4.001 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.947 -5.294 -6.094 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.054 -2.800 -4.311 1.00 0.00 C ATOM 0 H ILE A 46 3.692 -5.865 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 46 2.193 -6.559 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 46 4.991 -5.360 -4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.285 -3.990 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.208 -4.179 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.461 -4.397 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.457 -6.176 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.918 -5.283 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.530 -1.950 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.058 -2.862 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.120 -2.670 -5.391 1.00 0.00 H new ATOM 694 N GLU A 47 4.942 -8.310 -3.971 1.00 0.00 N ATOM 695 CA GLU A 47 5.673 -9.486 -4.429 1.00 0.00 C ATOM 696 C GLU A 47 4.783 -10.725 -4.399 1.00 0.00 C ATOM 697 O GLU A 47 4.817 -11.548 -5.314 1.00 0.00 O ATOM 698 CB GLU A 47 6.912 -9.713 -3.560 1.00 0.00 C ATOM 699 CG GLU A 47 7.734 -10.920 -3.976 1.00 0.00 C ATOM 700 CD GLU A 47 7.799 -11.983 -2.896 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.782 -12.186 -2.202 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.868 -12.611 -2.746 1.00 0.00 O ATOM 0 H GLU A 47 5.291 -7.908 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 47 5.987 -9.310 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.541 -8.824 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.600 -9.836 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.306 -11.352 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.745 -10.598 -4.225 1.00 0.00 H new ATOM 709 N ASP A 48 3.990 -10.851 -3.341 1.00 0.00 N ATOM 710 CA ASP A 48 3.091 -11.990 -3.191 1.00 0.00 C ATOM 711 C ASP A 48 2.160 -12.109 -4.394 1.00 0.00 C ATOM 712 O ASP A 48 1.772 -13.209 -4.784 1.00 0.00 O ATOM 713 CB ASP A 48 2.271 -11.854 -1.907 1.00 0.00 C ATOM 714 CG ASP A 48 2.813 -12.712 -0.781 1.00 0.00 C ATOM 715 OD1 ASP A 48 4.005 -13.077 -0.834 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.043 -13.019 0.154 1.00 0.00 O ATOM 0 H ASP A 48 3.951 -10.179 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 48 3.696 -12.894 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.263 -10.810 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.237 -12.134 -2.108 1.00 0.00 H new ATOM 721 N ALA A 49 1.805 -10.968 -4.976 1.00 0.00 N ATOM 722 CA ALA A 49 0.920 -10.945 -6.134 1.00 0.00 C ATOM 723 C ALA A 49 1.571 -11.620 -7.336 1.00 0.00 C ATOM 724 O ALA A 49 0.886 -12.163 -8.202 1.00 0.00 O ATOM 725 CB ALA A 49 0.535 -9.513 -6.475 1.00 0.00 C ATOM 0 H ALA A 49 2.117 -10.048 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 49 0.018 -11.502 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.126 -9.511 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.022 -9.062 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.433 -8.939 -6.702 1.00 0.00 H new ATOM 731 N GLY A 50 2.900 -11.582 -7.383 1.00 0.00 N ATOM 732 CA GLY A 50 3.621 -12.194 -8.484 1.00 0.00 C ATOM 733 C GLY A 50 3.171 -11.670 -9.833 1.00 0.00 C ATOM 734 O GLY A 50 3.349 -10.492 -10.140 1.00 0.00 O ATOM 0 H GLY A 50 3.489 -11.139 -6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.688 -12.009 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.479 -13.274 -8.451 1.00 0.00 H new ATOM 738 N ASN A 51 2.588 -12.548 -10.643 1.00 0.00 N ATOM 739 CA ASN A 51 2.114 -12.168 -11.969 1.00 0.00 C ATOM 740 C ASN A 51 0.711 -11.574 -11.895 1.00 0.00 C ATOM 741 O ASN A 51 0.351 -10.702 -12.686 1.00 0.00 O ATOM 742 CB ASN A 51 2.119 -13.380 -12.902 1.00 0.00 C ATOM 743 CG ASN A 51 1.197 -14.484 -12.420 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.629 -15.417 -11.742 1.00 0.00 O ATOM 745 ND2 ASN A 51 -0.080 -14.383 -12.769 1.00 0.00 N ATOM 0 H ASN A 51 2.432 -13.527 -10.404 1.00 0.00 H new ATOM 0 HA ASN A 51 2.790 -11.410 -12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.816 -13.067 -13.901 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.134 -13.768 -12.984 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.747 -15.096 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.394 -13.592 -13.332 1.00 0.00 H new ATOM 752 N LYS A 52 -0.078 -12.053 -10.939 1.00 0.00 N ATOM 753 CA LYS A 52 -1.442 -11.569 -10.759 1.00 0.00 C ATOM 754 C LYS A 52 -1.454 -10.075 -10.452 1.00 0.00 C ATOM 755 O LYS A 52 -2.401 -9.369 -10.793 1.00 0.00 O ATOM 756 CB LYS A 52 -2.133 -12.338 -9.630 1.00 0.00 C ATOM 757 CG LYS A 52 -2.044 -13.847 -9.779 1.00 0.00 C ATOM 758 CD LYS A 52 -2.902 -14.561 -8.748 1.00 0.00 C ATOM 759 CE LYS A 52 -2.280 -15.882 -8.324 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.193 -16.844 -9.458 1.00 0.00 N ATOM 0 H LYS A 52 0.204 -12.776 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.985 -11.735 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.687 -12.048 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.183 -12.046 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.363 -14.134 -10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.006 -14.163 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.031 -13.922 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.895 -14.741 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.282 -15.702 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.872 -16.321 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.827 -17.754 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.139 -16.984 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.553 -16.466 -10.185 1.00 0.00 H new ATOM 774 N GLY A 53 -0.393 -9.600 -9.805 1.00 0.00 N ATOM 775 CA GLY A 53 -0.301 -8.192 -9.465 1.00 0.00 C ATOM 776 C GLY A 53 -1.285 -7.792 -8.383 1.00 0.00 C ATOM 777 O GLY A 53 -2.308 -8.451 -8.191 1.00 0.00 O ATOM 0 H GLY A 53 0.404 -10.165 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.712 -7.967 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.483 -7.593 -10.357 1.00 0.00 H new ATOM 781 N ILE A 54 -0.976 -6.711 -7.675 1.00 0.00 N ATOM 782 CA ILE A 54 -1.841 -6.225 -6.607 1.00 0.00 C ATOM 783 C ILE A 54 -2.325 -4.808 -6.894 1.00 0.00 C ATOM 784 O ILE A 54 -1.548 -3.948 -7.307 1.00 0.00 O ATOM 785 CB ILE A 54 -1.120 -6.245 -5.246 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.109 -5.946 -4.117 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.022 -5.240 -5.238 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.073 -6.963 -2.998 1.00 0.00 C ATOM 0 H ILE A 54 -0.133 -6.155 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.698 -6.897 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.704 -7.239 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.893 -4.959 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.117 -5.906 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.522 -5.265 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.736 -5.494 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.372 -4.240 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.799 -6.688 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.319 -7.948 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.075 -6.986 -2.560 1.00 0.00 H new ATOM 800 N TRP A 55 -3.613 -4.572 -6.670 1.00 0.00 N ATOM 801 CA TRP A 55 -4.200 -3.258 -6.902 1.00 0.00 C ATOM 802 C TRP A 55 -3.789 -2.276 -5.810 1.00 0.00 C ATOM 803 O TRP A 55 -3.586 -2.664 -4.659 1.00 0.00 O ATOM 804 CB TRP A 55 -5.725 -3.361 -6.964 1.00 0.00 C ATOM 805 CG TRP A 55 -6.215 -4.293 -8.031 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.349 -5.649 -7.936 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.632 -3.938 -9.353 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.826 -6.158 -9.120 1.00 0.00 N ATOM 809 CE2 TRP A 55 -7.008 -5.129 -10.005 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.727 -2.730 -10.049 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.469 -5.144 -11.319 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.185 -2.747 -11.353 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.552 -3.947 -11.977 1.00 0.00 C ATOM 0 H TRP A 55 -4.270 -5.273 -6.328 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.828 -2.886 -7.857 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.099 -3.698 -5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.142 -2.369 -7.138 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.115 -6.235 -7.059 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.014 -7.143 -9.309 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.448 -1.800 -9.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.751 -6.068 -11.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.261 -1.819 -11.901 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.907 -3.927 -12.997 1.00 0.00 H new ATOM 824 N SER A 56 -3.667 -1.005 -6.178 1.00 0.00 N ATOM 825 CA SER A 56 -3.276 0.031 -5.229 1.00 0.00 C ATOM 826 C SER A 56 -4.162 -0.007 -3.988 1.00 0.00 C ATOM 827 O SER A 56 -3.727 0.343 -2.890 1.00 0.00 O ATOM 828 CB SER A 56 -3.357 1.410 -5.886 1.00 0.00 C ATOM 829 OG SER A 56 -3.735 2.401 -4.946 1.00 0.00 O ATOM 0 H SER A 56 -3.833 -0.668 -7.126 1.00 0.00 H new ATOM 0 HA SER A 56 -2.247 -0.159 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.391 1.666 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.078 1.385 -6.703 1.00 0.00 H new ATOM 0 HG SER A 56 -3.778 3.274 -5.390 1.00 0.00 H new ATOM 835 N ARG A 57 -5.407 -0.434 -4.170 1.00 0.00 N ATOM 836 CA ARG A 57 -6.356 -0.516 -3.066 1.00 0.00 C ATOM 837 C ARG A 57 -6.058 -1.725 -2.183 1.00 0.00 C ATOM 838 O ARG A 57 -6.104 -1.636 -0.956 1.00 0.00 O ATOM 839 CB ARG A 57 -7.787 -0.602 -3.600 1.00 0.00 C ATOM 840 CG ARG A 57 -8.440 0.754 -3.811 1.00 0.00 C ATOM 841 CD ARG A 57 -9.830 0.804 -3.196 1.00 0.00 C ATOM 842 NE ARG A 57 -9.841 1.527 -1.927 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.952 1.929 -1.320 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.136 1.679 -1.863 1.00 0.00 N ATOM 845 NH2 ARG A 57 -10.880 2.581 -0.167 1.00 0.00 N ATOM 0 H ARG A 57 -5.782 -0.729 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.254 0.387 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.781 -1.144 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.392 -1.183 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.817 1.532 -3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.505 0.966 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.518 1.284 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.193 -0.211 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.947 1.735 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.195 1.177 -2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.988 1.989 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.971 2.774 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.733 2.889 0.299 1.00 0.00 H new ATOM 859 N ASP A 58 -5.753 -2.852 -2.815 1.00 0.00 N ATOM 860 CA ASP A 58 -5.447 -4.078 -2.087 1.00 0.00 C ATOM 861 C ASP A 58 -4.195 -3.905 -1.233 1.00 0.00 C ATOM 862 O ASP A 58 -4.231 -4.088 -0.016 1.00 0.00 O ATOM 863 CB ASP A 58 -5.258 -5.242 -3.062 1.00 0.00 C ATOM 864 CG ASP A 58 -6.571 -5.894 -3.448 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.622 -5.231 -3.323 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.548 -7.066 -3.876 1.00 0.00 O ATOM 0 H ASP A 58 -5.711 -2.943 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.287 -4.299 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.757 -4.882 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.604 -5.988 -2.610 1.00 0.00 H new ATOM 871 N VAL A 59 -3.088 -3.553 -1.879 1.00 0.00 N ATOM 872 CA VAL A 59 -1.825 -3.356 -1.179 1.00 0.00 C ATOM 873 C VAL A 59 -1.970 -2.327 -0.063 1.00 0.00 C ATOM 874 O VAL A 59 -1.214 -2.340 0.909 1.00 0.00 O ATOM 875 CB VAL A 59 -0.714 -2.898 -2.143 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.136 -1.637 -2.883 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.587 -2.673 -1.389 1.00 0.00 C ATOM 0 H VAL A 59 -3.041 -3.398 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.548 -4.318 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.549 -3.685 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.339 -1.328 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.041 -1.837 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.331 -0.841 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.360 -2.350 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.439 -1.905 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.895 -3.602 -0.910 1.00 0.00 H new ATOM 887 N ARG A 60 -2.946 -1.437 -0.210 1.00 0.00 N ATOM 888 CA ARG A 60 -3.190 -0.400 0.786 1.00 0.00 C ATOM 889 C ARG A 60 -3.883 -0.979 2.016 1.00 0.00 C ATOM 890 O ARG A 60 -3.556 -0.625 3.149 1.00 0.00 O ATOM 891 CB ARG A 60 -4.042 0.720 0.187 1.00 0.00 C ATOM 892 CG ARG A 60 -4.268 1.887 1.136 1.00 0.00 C ATOM 893 CD ARG A 60 -5.651 2.493 0.954 1.00 0.00 C ATOM 894 NE ARG A 60 -6.644 1.857 1.815 1.00 0.00 N ATOM 895 CZ ARG A 60 -6.793 2.147 3.103 1.00 0.00 C ATOM 896 NH1 ARG A 60 -6.018 3.057 3.675 1.00 0.00 N ATOM 897 NH2 ARG A 60 -7.720 1.525 3.821 1.00 0.00 N ATOM 0 H ARG A 60 -3.580 -1.413 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.227 0.009 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.560 1.087 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.008 0.311 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.151 1.548 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.509 2.650 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.611 3.560 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.957 2.393 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.257 1.152 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.305 3.537 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.135 3.277 4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.318 0.824 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.834 1.748 4.810 1.00 0.00 H new ATOM 911 N TYR A 61 -4.840 -1.871 1.784 1.00 0.00 N ATOM 912 CA TYR A 61 -5.581 -2.497 2.872 1.00 0.00 C ATOM 913 C TYR A 61 -4.668 -3.384 3.713 1.00 0.00 C ATOM 914 O TYR A 61 -4.635 -3.277 4.939 1.00 0.00 O ATOM 915 CB TYR A 61 -6.743 -3.323 2.318 1.00 0.00 C ATOM 916 CG TYR A 61 -8.003 -3.228 3.148 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.562 -1.995 3.460 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.634 -4.372 3.620 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.713 -1.904 4.219 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.786 -4.291 4.378 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.321 -3.054 4.675 1.00 0.00 C ATOM 922 OH TYR A 61 -11.468 -2.969 5.431 1.00 0.00 O ATOM 0 H TYR A 61 -5.120 -2.177 0.852 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.978 -1.706 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.961 -2.992 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.438 -4.367 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.089 -1.092 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.217 -5.341 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.134 -0.937 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.265 -5.190 4.736 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.769 -3.870 5.671 1.00 0.00 H new ATOM 932 N LYS A 62 -3.926 -4.261 3.045 1.00 0.00 N ATOM 933 CA LYS A 62 -3.010 -5.167 3.727 1.00 0.00 C ATOM 934 C LYS A 62 -1.900 -4.392 4.429 1.00 0.00 C ATOM 935 O LYS A 62 -1.399 -4.812 5.472 1.00 0.00 O ATOM 936 CB LYS A 62 -2.404 -6.158 2.731 1.00 0.00 C ATOM 937 CG LYS A 62 -3.386 -7.210 2.245 1.00 0.00 C ATOM 938 CD LYS A 62 -2.668 -8.422 1.676 1.00 0.00 C ATOM 939 CE LYS A 62 -3.624 -9.332 0.919 1.00 0.00 C ATOM 940 NZ LYS A 62 -2.904 -10.421 0.203 1.00 0.00 N ATOM 0 H LYS A 62 -3.941 -4.363 2.030 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.576 -5.717 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.020 -5.608 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.554 -6.655 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.027 -7.520 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.035 -6.779 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.871 -8.094 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.197 -8.980 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.340 -9.767 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.196 -8.742 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.590 -11.019 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.239 -10.006 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.379 -11.000 0.889 1.00 0.00 H new ATOM 954 N SER A 63 -1.521 -3.257 3.850 1.00 0.00 N ATOM 955 CA SER A 63 -0.468 -2.423 4.419 1.00 0.00 C ATOM 956 C SER A 63 -1.010 -1.565 5.558 1.00 0.00 C ATOM 957 O SER A 63 -0.267 -1.157 6.450 1.00 0.00 O ATOM 958 CB SER A 63 0.144 -1.530 3.339 1.00 0.00 C ATOM 959 OG SER A 63 0.965 -2.280 2.460 1.00 0.00 O ATOM 0 H SER A 63 -1.927 -2.894 2.988 1.00 0.00 H new ATOM 0 HA SER A 63 0.305 -3.079 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.650 -1.043 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.733 -0.741 3.806 1.00 0.00 H new ATOM 0 HG SER A 63 0.467 -2.484 1.641 1.00 0.00 H new ATOM 965 N ASN A 64 -2.311 -1.297 5.521 1.00 0.00 N ATOM 966 CA ASN A 64 -2.954 -0.487 6.549 1.00 0.00 C ATOM 967 C ASN A 64 -2.395 0.933 6.552 1.00 0.00 C ATOM 968 O ASN A 64 -2.329 1.583 7.596 1.00 0.00 O ATOM 969 CB ASN A 64 -2.762 -1.126 7.926 1.00 0.00 C ATOM 970 CG ASN A 64 -3.047 -2.616 7.916 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.195 -3.419 7.536 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.250 -2.990 8.336 1.00 0.00 N ATOM 0 H ASN A 64 -2.941 -1.629 4.790 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.019 -0.438 6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.739 -0.957 8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.420 -0.638 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.500 -3.979 8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.924 -2.288 8.642 1.00 0.00 H new ATOM 979 N LEU A 65 -1.993 1.407 5.378 1.00 0.00 N ATOM 980 CA LEU A 65 -1.440 2.750 5.245 1.00 0.00 C ATOM 981 C LEU A 65 -2.366 3.642 4.424 1.00 0.00 C ATOM 982 O LEU A 65 -3.002 3.203 3.466 1.00 0.00 O ATOM 983 CB LEU A 65 -0.058 2.691 4.590 1.00 0.00 C ATOM 984 CG LEU A 65 0.900 1.633 5.139 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.108 1.483 4.228 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.337 1.992 6.552 1.00 0.00 C ATOM 0 H LEU A 65 -2.040 0.882 4.505 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.345 3.177 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.191 2.513 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.413 3.668 4.694 1.00 0.00 H new ATOM 0 HG LEU A 65 0.376 0.678 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.779 0.726 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.779 1.180 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.634 2.435 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.018 1.228 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.844 2.957 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.462 2.048 7.200 1.00 0.00 H new ATOM 998 N PRO A 66 -2.444 4.925 4.806 1.00 0.00 N ATOM 999 CA PRO A 66 -3.288 5.906 4.117 1.00 0.00 C ATOM 1000 C PRO A 66 -2.761 6.249 2.727 1.00 0.00 C ATOM 1001 O PRO A 66 -1.576 6.075 2.441 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.224 7.133 5.030 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.933 6.995 5.760 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.714 5.518 5.939 1.00 0.00 C ATOM 0 HA PRO A 66 -4.298 5.531 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.256 8.058 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.068 7.158 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.116 7.445 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.973 7.503 6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.655 5.263 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.102 5.167 6.895 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.649 6.738 1.868 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.273 7.107 0.507 1.00 0.00 C ATOM 1014 C LEU A 67 -2.069 8.043 0.509 1.00 0.00 C ATOM 1015 O LEU A 67 -1.180 7.932 -0.336 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.451 7.774 -0.205 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.141 8.906 0.555 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.682 10.258 0.032 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.653 8.777 0.448 1.00 0.00 C ATOM 0 H LEU A 67 -4.633 6.888 2.089 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.001 6.197 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.098 8.166 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.194 7.009 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.864 8.833 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.184 11.052 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.604 10.351 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.929 10.342 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.127 9.592 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.949 8.823 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.968 7.823 0.872 1.00 0.00 H new ATOM 1031 N THR A 68 -2.045 8.966 1.466 1.00 0.00 N ATOM 1032 CA THR A 68 -0.950 9.921 1.580 1.00 0.00 C ATOM 1033 C THR A 68 0.394 9.207 1.683 1.00 0.00 C ATOM 1034 O THR A 68 1.422 9.738 1.265 1.00 0.00 O ATOM 1035 CB THR A 68 -1.128 10.836 2.806 1.00 0.00 C ATOM 1036 OG1 THR A 68 -2.399 11.492 2.747 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.018 11.874 2.871 1.00 0.00 C ATOM 0 H THR A 68 -2.772 9.072 2.173 1.00 0.00 H new ATOM 0 HA THR A 68 -0.966 10.530 0.676 1.00 0.00 H new ATOM 0 HB THR A 68 -1.080 10.219 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.505 12.071 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.164 12.509 3.745 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.946 11.371 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.039 12.487 1.970 1.00 0.00 H new ATOM 1045 N GLU A 69 0.377 8.002 2.242 1.00 0.00 N ATOM 1046 CA GLU A 69 1.595 7.216 2.400 1.00 0.00 C ATOM 1047 C GLU A 69 1.848 6.351 1.169 1.00 0.00 C ATOM 1048 O GLU A 69 2.886 6.469 0.517 1.00 0.00 O ATOM 1049 CB GLU A 69 1.502 6.334 3.647 1.00 0.00 C ATOM 1050 CG GLU A 69 1.532 7.116 4.949 1.00 0.00 C ATOM 1051 CD GLU A 69 2.892 7.722 5.235 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.895 6.981 5.182 1.00 0.00 O ATOM 1053 OE2 GLU A 69 2.952 8.938 5.513 1.00 0.00 O ATOM 0 H GLU A 69 -0.466 7.548 2.593 1.00 0.00 H new ATOM 0 HA GLU A 69 2.430 7.907 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.581 5.753 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.328 5.623 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.786 7.910 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.252 6.457 5.771 1.00 0.00 H new ATOM 1060 N ILE A 70 0.892 5.481 0.858 1.00 0.00 N ATOM 1061 CA ILE A 70 1.011 4.597 -0.294 1.00 0.00 C ATOM 1062 C ILE A 70 1.351 5.381 -1.557 1.00 0.00 C ATOM 1063 O ILE A 70 2.054 4.886 -2.437 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.288 3.803 -0.531 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.639 2.977 0.708 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.145 2.905 -1.750 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.406 1.942 1.061 1.00 0.00 C ATOM 0 H ILE A 70 0.027 5.370 1.388 1.00 0.00 H new ATOM 0 HA ILE A 70 1.819 3.900 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.099 4.508 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.774 3.649 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.593 2.476 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.071 2.351 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.063 3.515 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.675 2.205 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.090 1.395 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.525 1.247 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.357 2.437 1.259 1.00 0.00 H new ATOM 1079 N ASN A 71 0.849 6.609 -1.638 1.00 0.00 N ATOM 1080 CA ASN A 71 1.101 7.463 -2.792 1.00 0.00 C ATOM 1081 C ASN A 71 2.594 7.722 -2.962 1.00 0.00 C ATOM 1082 O ASN A 71 3.098 7.809 -4.082 1.00 0.00 O ATOM 1083 CB ASN A 71 0.355 8.791 -2.643 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.091 8.696 -3.089 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.568 7.623 -3.461 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.796 9.821 -3.056 1.00 0.00 N ATOM 0 H ASN A 71 0.265 7.035 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 71 0.737 6.947 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.391 9.110 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.863 9.557 -3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.774 9.819 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.360 10.687 -2.740 1.00 0.00 H new ATOM 1093 N LYS A 72 3.299 7.845 -1.842 1.00 0.00 N ATOM 1094 CA LYS A 72 4.736 8.092 -1.865 1.00 0.00 C ATOM 1095 C LYS A 72 5.511 6.784 -1.981 1.00 0.00 C ATOM 1096 O LYS A 72 6.539 6.719 -2.656 1.00 0.00 O ATOM 1097 CB LYS A 72 5.165 8.841 -0.601 1.00 0.00 C ATOM 1098 CG LYS A 72 6.670 9.004 -0.473 1.00 0.00 C ATOM 1099 CD LYS A 72 7.042 9.762 0.790 1.00 0.00 C ATOM 1100 CE LYS A 72 6.466 11.169 0.787 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.475 12.183 1.200 1.00 0.00 N ATOM 0 H LYS A 72 2.898 7.778 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 72 4.960 8.705 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.699 9.827 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.790 8.308 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.144 8.022 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.055 9.535 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.676 9.220 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.127 9.812 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.098 11.408 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.611 11.213 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.043 13.129 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.808 11.970 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.280 12.160 0.542 1.00 0.00 H new ATOM 1115 N ILE A 73 5.012 5.744 -1.321 1.00 0.00 N ATOM 1116 CA ILE A 73 5.657 4.438 -1.354 1.00 0.00 C ATOM 1117 C ILE A 73 5.614 3.838 -2.755 1.00 0.00 C ATOM 1118 O ILE A 73 6.651 3.510 -3.334 1.00 0.00 O ATOM 1119 CB ILE A 73 4.993 3.458 -0.368 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.020 4.031 1.051 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.692 2.107 -0.413 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.169 3.256 2.032 1.00 0.00 C ATOM 0 H ILE A 73 4.163 5.781 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 73 6.695 4.591 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 73 3.953 3.317 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.050 4.046 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.677 5.065 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.212 1.425 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.626 1.696 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.740 2.230 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.236 3.719 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.131 3.262 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.525 2.227 2.089 1.00 0.00 H new ATOM 1134 N LEU A 74 4.409 3.699 -3.296 1.00 0.00 N ATOM 1135 CA LEU A 74 4.230 3.140 -4.632 1.00 0.00 C ATOM 1136 C LEU A 74 5.085 3.884 -5.653 1.00 0.00 C ATOM 1137 O LEU A 74 5.563 3.298 -6.624 1.00 0.00 O ATOM 1138 CB LEU A 74 2.757 3.204 -5.040 1.00 0.00 C ATOM 1139 CG LEU A 74 1.852 2.116 -4.461 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.414 2.323 -4.910 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.348 0.737 -4.870 1.00 0.00 C ATOM 0 H LEU A 74 3.541 3.965 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 74 4.549 2.098 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.360 4.175 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.700 3.156 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 74 1.884 2.184 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.215 1.539 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.062 3.296 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.363 2.283 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.692 -0.025 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.346 0.657 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.362 0.590 -4.497 1.00 0.00 H new ATOM 1153 N LYS A 75 5.276 5.180 -5.425 1.00 0.00 N ATOM 1154 CA LYS A 75 6.076 6.005 -6.322 1.00 0.00 C ATOM 1155 C LYS A 75 7.564 5.845 -6.026 1.00 0.00 C ATOM 1156 O LYS A 75 8.405 6.030 -6.904 1.00 0.00 O ATOM 1157 CB LYS A 75 5.674 7.476 -6.189 1.00 0.00 C ATOM 1158 CG LYS A 75 5.755 8.248 -7.495 1.00 0.00 C ATOM 1159 CD LYS A 75 4.496 8.071 -8.326 1.00 0.00 C ATOM 1160 CE LYS A 75 3.639 9.327 -8.314 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.325 9.108 -8.980 1.00 0.00 N ATOM 0 H LYS A 75 4.887 5.681 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 75 5.889 5.674 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.655 7.533 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.319 7.955 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.907 9.307 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.620 7.909 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.768 7.825 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.918 7.231 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.476 9.645 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.171 10.135 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.770 9.987 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.480 8.829 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.806 8.355 -8.485 1.00 0.00 H new ATOM 1175 N ASN A 76 7.881 5.498 -4.782 1.00 0.00 N ATOM 1176 CA ASN A 76 9.268 5.312 -4.371 1.00 0.00 C ATOM 1177 C ASN A 76 9.890 4.113 -5.081 1.00 0.00 C ATOM 1178 O ASN A 76 10.880 4.248 -5.801 1.00 0.00 O ATOM 1179 CB ASN A 76 9.351 5.121 -2.856 1.00 0.00 C ATOM 1180 CG ASN A 76 10.399 6.012 -2.217 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.591 5.885 -2.496 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.957 6.920 -1.354 1.00 0.00 N ATOM 0 H ASN A 76 7.197 5.340 -4.042 1.00 0.00 H new ATOM 0 HA ASN A 76 9.826 6.206 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.378 5.333 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.581 4.079 -2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.615 7.548 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.959 6.989 -1.153 1.00 0.00 H new ATOM 1189 N LEU A 77 9.302 2.939 -4.873 1.00 0.00 N ATOM 1190 CA LEU A 77 9.798 1.715 -5.494 1.00 0.00 C ATOM 1191 C LEU A 77 9.954 1.893 -7.000 1.00 0.00 C ATOM 1192 O LEU A 77 10.905 1.390 -7.598 1.00 0.00 O ATOM 1193 CB LEU A 77 8.848 0.552 -5.202 1.00 0.00 C ATOM 1194 CG LEU A 77 9.064 -0.174 -3.874 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.847 -1.016 -3.522 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.314 -1.040 -3.937 1.00 0.00 C ATOM 0 H LEU A 77 8.482 2.809 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 77 10.777 1.492 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.826 0.930 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.937 -0.175 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 77 9.202 0.572 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.019 -1.525 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.972 -0.372 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.677 -1.755 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.452 -1.549 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.205 -1.779 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.181 -0.413 -4.142 1.00 0.00 H new ATOM 1208 N GLU A 78 9.017 2.615 -7.607 1.00 0.00 N ATOM 1209 CA GLU A 78 9.053 2.860 -9.044 1.00 0.00 C ATOM 1210 C GLU A 78 10.373 3.507 -9.452 1.00 0.00 C ATOM 1211 O GLU A 78 11.094 2.987 -10.303 1.00 0.00 O ATOM 1212 CB GLU A 78 7.883 3.755 -9.460 1.00 0.00 C ATOM 1213 CG GLU A 78 7.297 3.398 -10.816 1.00 0.00 C ATOM 1214 CD GLU A 78 7.660 4.404 -11.891 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.857 4.499 -12.234 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.748 5.096 -12.390 1.00 0.00 O ATOM 0 H GLU A 78 8.224 3.040 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 78 8.966 1.900 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.099 3.688 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.219 4.792 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.652 2.411 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.212 3.335 -10.734 1.00 0.00 H new ATOM 1223 N SER A 79 10.682 4.646 -8.840 1.00 0.00 N ATOM 1224 CA SER A 79 11.913 5.367 -9.142 1.00 0.00 C ATOM 1225 C SER A 79 13.132 4.475 -8.928 1.00 0.00 C ATOM 1226 O SER A 79 14.108 4.548 -9.674 1.00 0.00 O ATOM 1227 CB SER A 79 12.023 6.619 -8.269 1.00 0.00 C ATOM 1228 OG SER A 79 12.071 7.792 -9.063 1.00 0.00 O ATOM 0 H SER A 79 10.097 5.089 -8.132 1.00 0.00 H new ATOM 0 HA SER A 79 11.882 5.665 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.171 6.670 -7.591 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.919 6.558 -7.651 1.00 0.00 H new ATOM 0 HG SER A 79 12.139 8.578 -8.482 1.00 0.00 H new ATOM 1234 N LYS A 80 13.067 3.633 -7.902 1.00 0.00 N ATOM 1235 CA LYS A 80 14.163 2.724 -7.588 1.00 0.00 C ATOM 1236 C LYS A 80 14.317 1.661 -8.671 1.00 0.00 C ATOM 1237 O LYS A 80 15.320 0.949 -8.719 1.00 0.00 O ATOM 1238 CB LYS A 80 13.926 2.056 -6.232 1.00 0.00 C ATOM 1239 CG LYS A 80 13.514 3.027 -5.139 1.00 0.00 C ATOM 1240 CD LYS A 80 14.350 2.841 -3.884 1.00 0.00 C ATOM 1241 CE LYS A 80 13.839 3.705 -2.741 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.668 4.927 -2.556 1.00 0.00 N ATOM 0 H LYS A 80 12.267 3.561 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 80 15.083 3.307 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.153 1.296 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.837 1.542 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.621 4.050 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.460 2.882 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.332 1.793 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.389 3.094 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.806 3.993 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.838 3.124 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.287 5.489 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.648 4.653 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.649 5.495 -3.427 1.00 0.00 H new ATOM 1256 N LYS A 81 13.316 1.559 -9.539 1.00 0.00 N ATOM 1257 CA LYS A 81 13.340 0.585 -10.624 1.00 0.00 C ATOM 1258 C LYS A 81 13.346 -0.839 -10.077 1.00 0.00 C ATOM 1259 O LYS A 81 13.956 -1.736 -10.659 1.00 0.00 O ATOM 1260 CB LYS A 81 14.568 0.807 -11.510 1.00 0.00 C ATOM 1261 CG LYS A 81 14.345 0.431 -12.964 1.00 0.00 C ATOM 1262 CD LYS A 81 15.385 1.069 -13.871 1.00 0.00 C ATOM 1263 CE LYS A 81 15.721 0.171 -15.052 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.035 0.521 -15.659 1.00 0.00 N ATOM 0 H LYS A 81 12.478 2.139 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 81 12.439 0.722 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.860 1.856 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.400 0.223 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.384 -0.653 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.349 0.746 -13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.013 2.027 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.290 1.275 -13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.738 -0.869 -14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.939 0.255 -15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.227 -0.114 -16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.011 1.505 -15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.785 0.416 -14.947 1.00 0.00 H new ATOM 1278 N LEU A 82 12.662 -1.039 -8.956 1.00 0.00 N ATOM 1279 CA LEU A 82 12.587 -2.355 -8.331 1.00 0.00 C ATOM 1280 C LEU A 82 11.276 -3.051 -8.682 1.00 0.00 C ATOM 1281 O LEU A 82 11.195 -4.280 -8.681 1.00 0.00 O ATOM 1282 CB LEU A 82 12.719 -2.228 -6.812 1.00 0.00 C ATOM 1283 CG LEU A 82 14.129 -1.968 -6.280 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.113 -1.845 -4.764 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.077 -3.076 -6.717 1.00 0.00 C ATOM 0 H LEU A 82 12.152 -0.307 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 82 13.411 -2.958 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.071 -1.418 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.344 -3.145 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 82 14.486 -1.026 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.125 -1.660 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.467 -1.017 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.736 -2.770 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.076 -2.874 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.723 -4.031 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.112 -3.117 -7.806 1.00 0.00 H new ATOM 1297 N ILE A 83 10.254 -2.258 -8.984 1.00 0.00 N ATOM 1298 CA ILE A 83 8.948 -2.799 -9.341 1.00 0.00 C ATOM 1299 C ILE A 83 8.516 -2.323 -10.724 1.00 0.00 C ATOM 1300 O ILE A 83 9.178 -1.488 -11.341 1.00 0.00 O ATOM 1301 CB ILE A 83 7.873 -2.398 -8.314 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.720 -0.877 -8.270 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.229 -2.940 -6.937 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.644 -0.405 -7.318 1.00 0.00 C ATOM 0 H ILE A 83 10.305 -1.239 -8.989 1.00 0.00 H new ATOM 0 HA ILE A 83 9.047 -3.885 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 83 6.920 -2.831 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.672 -0.433 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.492 -0.514 -9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.460 -2.649 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.292 -4.027 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.190 -2.533 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.592 0.684 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.683 -0.820 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.881 -0.738 -6.307 1.00 0.00 H new ATOM 1316 N LYS A 84 7.399 -2.858 -11.205 1.00 0.00 N ATOM 1317 CA LYS A 84 6.874 -2.487 -12.514 1.00 0.00 C ATOM 1318 C LYS A 84 5.367 -2.265 -12.453 1.00 0.00 C ATOM 1319 O LYS A 84 4.611 -3.164 -12.085 1.00 0.00 O ATOM 1320 CB LYS A 84 7.199 -3.573 -13.543 1.00 0.00 C ATOM 1321 CG LYS A 84 6.624 -4.934 -13.192 1.00 0.00 C ATOM 1322 CD LYS A 84 7.255 -6.038 -14.025 1.00 0.00 C ATOM 1323 CE LYS A 84 6.285 -7.188 -14.253 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.413 -7.757 -15.623 1.00 0.00 N ATOM 0 H LYS A 84 6.839 -3.551 -10.708 1.00 0.00 H new ATOM 0 HA LYS A 84 7.349 -1.554 -12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.816 -3.266 -14.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.281 -3.659 -13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.787 -5.137 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.546 -4.927 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.574 -5.633 -14.986 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.149 -6.409 -13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.469 -7.970 -13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.264 -6.838 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.736 -8.538 -15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.213 -7.017 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.380 -8.114 -15.762 1.00 0.00 H new ATOM 1338 N ALA A 85 4.935 -1.061 -12.816 1.00 0.00 N ATOM 1339 CA ALA A 85 3.518 -0.722 -12.806 1.00 0.00 C ATOM 1340 C ALA A 85 2.811 -1.280 -14.036 1.00 0.00 C ATOM 1341 O ALA A 85 3.363 -1.277 -15.137 1.00 0.00 O ATOM 1342 CB ALA A 85 3.336 0.787 -12.729 1.00 0.00 C ATOM 0 H ALA A 85 5.547 -0.304 -13.121 1.00 0.00 H new ATOM 0 HA ALA A 85 3.068 -1.176 -11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.272 1.025 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.798 1.163 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.807 1.255 -13.593 1.00 0.00 H new ATOM 1348 N VAL A 86 1.586 -1.759 -13.843 1.00 0.00 N ATOM 1349 CA VAL A 86 0.803 -2.320 -14.938 1.00 0.00 C ATOM 1350 C VAL A 86 -0.600 -1.725 -14.972 1.00 0.00 C ATOM 1351 O VAL A 86 -1.386 -1.905 -14.041 1.00 0.00 O ATOM 1352 CB VAL A 86 0.696 -3.852 -14.823 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.006 -4.511 -15.229 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.302 -4.255 -13.410 1.00 0.00 C ATOM 0 H VAL A 86 1.114 -1.770 -12.939 1.00 0.00 H new ATOM 0 HA VAL A 86 1.324 -2.067 -15.862 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.082 -4.196 -15.504 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.911 -5.593 -15.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.240 -4.250 -16.261 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.806 -4.163 -14.576 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.231 -5.341 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.055 -3.900 -12.707 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.663 -3.814 -13.162 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.909 -1.014 -16.051 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.219 -0.392 -16.209 1.00 0.00 C ATOM 1366 C LYS A 87 -3.249 -1.409 -16.690 1.00 0.00 C ATOM 1367 O LYS A 87 -2.896 -2.457 -17.230 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.137 0.774 -17.197 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.657 0.367 -18.579 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.161 1.323 -19.648 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.333 0.622 -20.987 1.00 0.00 C ATOM 1372 NZ LYS A 87 -3.570 1.062 -21.689 1.00 0.00 N ATOM 0 H LYS A 87 -0.270 -0.854 -16.830 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.534 -0.014 -15.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.121 1.235 -17.284 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.464 1.532 -16.796 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.567 0.344 -18.595 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.000 -0.643 -18.802 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.113 1.751 -19.335 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.460 2.151 -19.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.467 0.824 -21.617 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.368 -0.456 -20.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.651 0.561 -22.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.399 0.846 -21.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.525 2.087 -21.861 1.00 0.00 H new