USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=9 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= -0.199 K(o=0.22,f=-5!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -107:sc= 0.423 (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= -0.326 X(o=-0.33,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.271) 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 111:sc= 0.0931 USER MOD Single : A 64 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.8!) 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 -5.588 0.891 -9.986 1.00 0.00 N ATOM 230 CA LEU A 19 -4.483 0.466 -10.838 1.00 0.00 C ATOM 231 C LEU A 19 -3.813 -0.785 -10.278 1.00 0.00 C ATOM 232 O LEU A 19 -3.880 -1.053 -9.078 1.00 0.00 O ATOM 233 CB LEU A 19 -3.455 1.591 -10.974 1.00 0.00 C ATOM 234 CG LEU A 19 -3.568 2.454 -12.231 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.383 3.924 -11.887 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.547 2.016 -13.272 1.00 0.00 C ATOM 0 HA LEU A 19 -4.887 0.230 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.539 2.240 -10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.458 1.151 -10.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.565 2.322 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.467 4.523 -12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.151 4.231 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.399 4.073 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.642 2.641 -14.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.542 2.118 -12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.725 0.975 -13.541 1.00 0.00 H new ATOM 248 N LEU A 20 -3.166 -1.546 -11.154 1.00 0.00 N ATOM 249 CA LEU A 20 -2.481 -2.768 -10.747 1.00 0.00 C ATOM 250 C LEU A 20 -0.980 -2.533 -10.617 1.00 0.00 C ATOM 251 O LEU A 20 -0.414 -1.677 -11.296 1.00 0.00 O ATOM 252 CB LEU A 20 -2.748 -3.886 -11.757 1.00 0.00 C ATOM 253 CG LEU A 20 -2.406 -5.303 -11.295 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.144 -5.638 -10.008 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.740 -6.313 -12.382 1.00 0.00 C ATOM 0 H LEU A 20 -3.101 -1.338 -12.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.869 -3.066 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.803 -3.859 -12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.180 -3.674 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.335 -5.352 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.888 -6.650 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.855 -4.933 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.219 -5.571 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.490 -7.316 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.805 -6.263 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.165 -6.085 -13.280 1.00 0.00 H new ATOM 267 N TYR A 21 -0.340 -3.300 -9.741 1.00 0.00 N ATOM 268 CA TYR A 21 1.096 -3.175 -9.521 1.00 0.00 C ATOM 269 C TYR A 21 1.757 -4.548 -9.452 1.00 0.00 C ATOM 270 O TYR A 21 1.104 -5.551 -9.164 1.00 0.00 O ATOM 271 CB TYR A 21 1.370 -2.399 -8.232 1.00 0.00 C ATOM 272 CG TYR A 21 1.502 -0.907 -8.439 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.387 -0.079 -8.398 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.741 -0.326 -8.679 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.503 1.285 -8.588 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.867 1.036 -8.868 1.00 0.00 C ATOM 277 CZ TYR A 21 1.745 1.837 -8.822 1.00 0.00 C ATOM 278 OH TYR A 21 1.865 3.195 -9.012 1.00 0.00 O ATOM 0 H TYR A 21 -0.793 -4.015 -9.172 1.00 0.00 H new ATOM 0 HA TYR A 21 1.521 -2.629 -10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.562 -2.589 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.286 -2.777 -7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.587 -0.509 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.621 -0.951 -8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.374 1.915 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.838 1.472 -9.051 1.00 0.00 H new ATOM 0 HH TYR A 21 2.806 3.422 -9.164 1.00 0.00 H new ATOM 288 N ARG A 22 3.059 -4.584 -9.717 1.00 0.00 N ATOM 289 CA ARG A 22 3.811 -5.833 -9.686 1.00 0.00 C ATOM 290 C ARG A 22 5.296 -5.568 -9.458 1.00 0.00 C ATOM 291 O ARG A 22 5.794 -4.480 -9.748 1.00 0.00 O ATOM 292 CB ARG A 22 3.614 -6.604 -10.992 1.00 0.00 C ATOM 293 CG ARG A 22 2.380 -7.492 -10.996 1.00 0.00 C ATOM 294 CD ARG A 22 2.356 -8.408 -12.209 1.00 0.00 C ATOM 295 NE ARG A 22 1.231 -8.115 -13.094 1.00 0.00 N ATOM 296 CZ ARG A 22 1.177 -8.496 -14.365 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.179 -9.182 -14.898 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.119 -8.192 -15.106 1.00 0.00 N ATOM 0 H ARG A 22 3.615 -3.763 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 22 3.436 -6.434 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.543 -5.894 -11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.494 -7.219 -11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.359 -8.091 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.484 -6.871 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.289 -8.302 -12.762 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.297 -9.445 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 22 0.444 -7.589 -12.715 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.994 -9.418 -14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.135 -9.473 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.654 -7.665 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.079 -8.485 -16.082 1.00 0.00 H new ATOM 312 N ILE A 23 5.997 -6.569 -8.936 1.00 0.00 N ATOM 313 CA ILE A 23 7.425 -6.444 -8.670 1.00 0.00 C ATOM 314 C ILE A 23 8.247 -6.794 -9.906 1.00 0.00 C ATOM 315 O ILE A 23 7.792 -7.533 -10.779 1.00 0.00 O ATOM 316 CB ILE A 23 7.861 -7.349 -7.503 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.488 -8.805 -7.791 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.225 -6.881 -6.203 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.427 -9.807 -7.156 1.00 0.00 C ATOM 0 H ILE A 23 5.600 -7.475 -8.689 1.00 0.00 H new ATOM 0 HA ILE A 23 7.606 -5.404 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 23 8.944 -7.285 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.476 -8.990 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.477 -8.962 -8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.543 -7.531 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.536 -5.858 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.140 -6.919 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.101 -10.818 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.437 -9.649 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.420 -9.677 -6.074 1.00 0.00 H new ATOM 331 N LYS A 24 9.462 -6.260 -9.972 1.00 0.00 N ATOM 332 CA LYS A 24 10.351 -6.518 -11.098 1.00 0.00 C ATOM 333 C LYS A 24 11.418 -7.542 -10.726 1.00 0.00 C ATOM 334 O LYS A 24 12.170 -7.350 -9.771 1.00 0.00 O ATOM 335 CB LYS A 24 11.015 -5.218 -11.558 1.00 0.00 C ATOM 336 CG LYS A 24 11.098 -5.078 -13.068 1.00 0.00 C ATOM 337 CD LYS A 24 12.317 -5.791 -13.628 1.00 0.00 C ATOM 338 CE LYS A 24 12.082 -6.259 -15.056 1.00 0.00 C ATOM 339 NZ LYS A 24 12.363 -7.712 -15.217 1.00 0.00 N ATOM 0 H LYS A 24 9.853 -5.645 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 24 9.754 -6.923 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.458 -4.373 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.021 -5.166 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.196 -5.487 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.139 -4.022 -13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.176 -5.121 -13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.560 -6.647 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.049 -6.055 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.717 -5.689 -15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.191 -7.992 -16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.355 -7.903 -14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.739 -8.258 -14.589 1.00 0.00 H new ATOM 583 N LEU A 41 7.061 -3.366 3.739 1.00 0.00 N ATOM 584 CA LEU A 41 5.679 -3.759 3.989 1.00 0.00 C ATOM 585 C LEU A 41 4.854 -3.695 2.707 1.00 0.00 C ATOM 586 O LEU A 41 3.857 -4.403 2.562 1.00 0.00 O ATOM 587 CB LEU A 41 5.056 -2.857 5.055 1.00 0.00 C ATOM 588 CG LEU A 41 3.565 -3.063 5.322 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.297 -4.487 5.785 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.063 -2.062 6.353 1.00 0.00 C ATOM 0 HA LEU A 41 5.680 -4.788 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.596 -3.007 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.212 -1.819 4.760 1.00 0.00 H new ATOM 0 HG LEU A 41 3.023 -2.897 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.230 -4.615 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.618 -5.187 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.851 -4.681 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.000 -2.224 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.611 -2.195 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.219 -1.049 5.982 1.00 0.00 H new ATOM 602 N VAL A 42 5.278 -2.843 1.779 1.00 0.00 N ATOM 603 CA VAL A 42 4.581 -2.688 0.508 1.00 0.00 C ATOM 604 C VAL A 42 5.142 -3.637 -0.546 1.00 0.00 C ATOM 605 O VAL A 42 4.395 -4.357 -1.209 1.00 0.00 O ATOM 606 CB VAL A 42 4.680 -1.243 -0.015 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.938 -1.100 -1.334 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.141 -0.265 1.019 1.00 0.00 C ATOM 0 H VAL A 42 6.101 -2.250 1.884 1.00 0.00 H new ATOM 0 HA VAL A 42 3.534 -2.929 0.691 1.00 0.00 H new ATOM 0 HB VAL A 42 5.730 -1.009 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.019 -0.072 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.374 -1.773 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.887 -1.352 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.218 0.752 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.096 -0.495 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.722 -0.350 1.937 1.00 0.00 H new ATOM 618 N TYR A 43 6.462 -3.634 -0.693 1.00 0.00 N ATOM 619 CA TYR A 43 7.124 -4.494 -1.667 1.00 0.00 C ATOM 620 C TYR A 43 6.818 -5.963 -1.395 1.00 0.00 C ATOM 621 O TYR A 43 6.832 -6.790 -2.306 1.00 0.00 O ATOM 622 CB TYR A 43 8.636 -4.262 -1.639 1.00 0.00 C ATOM 623 CG TYR A 43 9.377 -4.963 -2.754 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.820 -6.272 -2.606 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.636 -4.317 -3.957 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.498 -6.917 -3.622 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.312 -4.955 -4.979 1.00 0.00 C ATOM 628 CZ TYR A 43 10.741 -6.254 -4.807 1.00 0.00 C ATOM 629 OH TYR A 43 11.416 -6.892 -5.822 1.00 0.00 O ATOM 0 H TYR A 43 7.095 -3.046 -0.150 1.00 0.00 H new ATOM 0 HA TYR A 43 6.742 -4.240 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.832 -3.192 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.030 -4.603 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.631 -6.794 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.303 -3.299 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.836 -7.934 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.503 -4.439 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 43 11.503 -6.287 -6.588 1.00 0.00 H new ATOM 639 N GLN A 44 6.542 -6.279 -0.134 1.00 0.00 N ATOM 640 CA GLN A 44 6.232 -7.648 0.260 1.00 0.00 C ATOM 641 C GLN A 44 4.871 -8.075 -0.279 1.00 0.00 C ATOM 642 O GLN A 44 4.715 -9.185 -0.789 1.00 0.00 O ATOM 643 CB GLN A 44 6.254 -7.781 1.784 1.00 0.00 C ATOM 644 CG GLN A 44 7.655 -7.878 2.366 1.00 0.00 C ATOM 645 CD GLN A 44 8.093 -9.310 2.597 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.206 -9.761 3.738 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.342 -10.036 1.513 1.00 0.00 N ATOM 0 H GLN A 44 6.527 -5.606 0.632 1.00 0.00 H new ATOM 0 HA GLN A 44 6.993 -8.302 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.746 -6.922 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.688 -8.667 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.359 -7.391 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.691 -7.334 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.236 -9.622 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.640 -11.007 1.607 1.00 0.00 H new ATOM 656 N ILE A 45 3.889 -7.187 -0.163 1.00 0.00 N ATOM 657 CA ILE A 45 2.541 -7.473 -0.640 1.00 0.00 C ATOM 658 C ILE A 45 2.503 -7.558 -2.162 1.00 0.00 C ATOM 659 O ILE A 45 1.763 -8.361 -2.730 1.00 0.00 O ATOM 660 CB ILE A 45 1.540 -6.400 -0.172 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.579 -6.265 1.351 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.135 -6.746 -0.642 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.832 -5.056 1.870 1.00 0.00 C ATOM 0 H ILE A 45 4.001 -6.264 0.257 1.00 0.00 H new ATOM 0 HA ILE A 45 2.254 -8.436 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 45 1.824 -5.443 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.155 -7.164 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.618 -6.207 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.561 -5.979 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.118 -6.797 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.160 -7.711 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.902 -5.024 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.270 -4.150 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.215 -5.122 1.576 1.00 0.00 H new ATOM 675 N ILE A 46 3.307 -6.726 -2.816 1.00 0.00 N ATOM 676 CA ILE A 46 3.367 -6.709 -4.272 1.00 0.00 C ATOM 677 C ILE A 46 4.146 -7.908 -4.804 1.00 0.00 C ATOM 678 O ILE A 46 3.842 -8.432 -5.875 1.00 0.00 O ATOM 679 CB ILE A 46 4.020 -5.415 -4.794 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.258 -4.192 -4.280 1.00 0.00 C ATOM 681 CG2 ILE A 46 4.062 -5.420 -6.315 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.008 -2.891 -4.468 1.00 0.00 C ATOM 0 H ILE A 46 3.926 -6.055 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 46 2.339 -6.758 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 46 5.043 -5.365 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.300 -4.128 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.041 -4.328 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.526 -4.499 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.643 -6.275 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.047 -5.489 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.409 -2.067 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.955 -2.936 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.201 -2.733 -5.529 1.00 0.00 H new ATOM 694 N GLU A 47 5.151 -8.337 -4.046 1.00 0.00 N ATOM 695 CA GLU A 47 5.972 -9.475 -4.442 1.00 0.00 C ATOM 696 C GLU A 47 5.160 -10.767 -4.418 1.00 0.00 C ATOM 697 O GLU A 47 5.270 -11.599 -5.318 1.00 0.00 O ATOM 698 CB GLU A 47 7.183 -9.604 -3.516 1.00 0.00 C ATOM 699 CG GLU A 47 8.120 -10.739 -3.894 1.00 0.00 C ATOM 700 CD GLU A 47 8.923 -11.251 -2.713 1.00 0.00 C ATOM 701 OE1 GLU A 47 9.938 -10.612 -2.364 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.536 -12.290 -2.139 1.00 0.00 O ATOM 0 H GLU A 47 5.415 -7.914 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 47 6.319 -9.303 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.739 -8.666 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.834 -9.757 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.539 -11.559 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.803 -10.398 -4.672 1.00 0.00 H new ATOM 709 N ASP A 48 4.345 -10.927 -3.381 1.00 0.00 N ATOM 710 CA ASP A 48 3.513 -12.117 -3.238 1.00 0.00 C ATOM 711 C ASP A 48 2.594 -12.284 -4.444 1.00 0.00 C ATOM 712 O ASP A 48 2.293 -13.404 -4.857 1.00 0.00 O ATOM 713 CB ASP A 48 2.683 -12.034 -1.957 1.00 0.00 C ATOM 714 CG ASP A 48 2.431 -13.397 -1.342 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.920 -14.285 -2.056 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.745 -13.575 -0.147 1.00 0.00 O ATOM 0 H ASP A 48 4.243 -10.248 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 48 4.170 -12.985 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.198 -11.402 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.729 -11.555 -2.176 1.00 0.00 H new ATOM 721 N ALA A 49 2.151 -11.164 -5.004 1.00 0.00 N ATOM 722 CA ALA A 49 1.267 -11.187 -6.163 1.00 0.00 C ATOM 723 C ALA A 49 1.934 -11.877 -7.349 1.00 0.00 C ATOM 724 O ALA A 49 1.277 -12.565 -8.129 1.00 0.00 O ATOM 725 CB ALA A 49 0.852 -9.772 -6.539 1.00 0.00 C ATOM 0 H ALA A 49 2.390 -10.229 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 49 0.376 -11.757 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.192 -9.805 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.328 -9.312 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.738 -9.185 -6.779 1.00 0.00 H new ATOM 731 N GLY A 50 3.243 -11.687 -7.478 1.00 0.00 N ATOM 732 CA GLY A 50 3.977 -12.296 -8.572 1.00 0.00 C ATOM 733 C GLY A 50 3.539 -11.775 -9.926 1.00 0.00 C ATOM 734 O GLY A 50 3.922 -10.677 -10.329 1.00 0.00 O ATOM 0 H GLY A 50 3.809 -11.122 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.042 -12.106 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.839 -13.377 -8.540 1.00 0.00 H new ATOM 738 N ASN A 51 2.735 -12.564 -10.631 1.00 0.00 N ATOM 739 CA ASN A 51 2.246 -12.176 -11.949 1.00 0.00 C ATOM 740 C ASN A 51 0.842 -11.586 -11.856 1.00 0.00 C ATOM 741 O ASN A 51 0.462 -10.729 -12.655 1.00 0.00 O ATOM 742 CB ASN A 51 2.243 -13.382 -12.890 1.00 0.00 C ATOM 743 CG ASN A 51 1.955 -12.993 -14.327 1.00 0.00 C ATOM 744 OD1 ASN A 51 2.758 -12.319 -14.973 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.803 -13.417 -14.835 1.00 0.00 N ATOM 0 H ASN A 51 2.408 -13.476 -10.312 1.00 0.00 H new ATOM 0 HA ASN A 51 2.916 -11.414 -12.348 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.210 -13.882 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.495 -14.100 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.554 -13.186 -15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.167 -13.973 -14.263 1.00 0.00 H new ATOM 752 N LYS A 52 0.074 -12.050 -10.876 1.00 0.00 N ATOM 753 CA LYS A 52 -1.287 -11.569 -10.676 1.00 0.00 C ATOM 754 C LYS A 52 -1.295 -10.079 -10.348 1.00 0.00 C ATOM 755 O LYS A 52 -2.200 -9.349 -10.751 1.00 0.00 O ATOM 756 CB LYS A 52 -1.968 -12.353 -9.552 1.00 0.00 C ATOM 757 CG LYS A 52 -1.919 -13.859 -9.745 1.00 0.00 C ATOM 758 CD LYS A 52 -2.590 -14.591 -8.595 1.00 0.00 C ATOM 759 CE LYS A 52 -1.691 -14.645 -7.369 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.072 -13.622 -6.356 1.00 0.00 N ATOM 0 H LYS A 52 0.372 -12.760 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.839 -11.722 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.492 -12.101 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.009 -12.038 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.410 -14.123 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.881 -14.183 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.525 -14.092 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.844 -15.604 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.746 -15.637 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.655 -14.489 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.220 -13.292 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.530 -12.818 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.732 -14.041 -5.671 1.00 0.00 H new ATOM 774 N GLY A 53 -0.279 -9.634 -9.614 1.00 0.00 N ATOM 775 CA GLY A 53 -0.188 -8.233 -9.246 1.00 0.00 C ATOM 776 C GLY A 53 -1.194 -7.848 -8.179 1.00 0.00 C ATOM 777 O GLY A 53 -2.190 -8.543 -7.976 1.00 0.00 O ATOM 0 H GLY A 53 0.482 -10.218 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.819 -8.020 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.348 -7.617 -10.131 1.00 0.00 H new ATOM 781 N ILE A 54 -0.933 -6.739 -7.495 1.00 0.00 N ATOM 782 CA ILE A 54 -1.823 -6.263 -6.443 1.00 0.00 C ATOM 783 C ILE A 54 -2.280 -4.834 -6.715 1.00 0.00 C ATOM 784 O ILE A 54 -1.476 -3.972 -7.070 1.00 0.00 O ATOM 785 CB ILE A 54 -1.143 -6.319 -5.063 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.153 -5.999 -3.959 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.031 -5.352 -5.010 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.231 -7.061 -2.885 1.00 0.00 C ATOM 0 H ILE A 54 -0.113 -6.153 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.689 -6.924 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.764 -7.328 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.887 -5.047 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.139 -5.872 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.501 -5.404 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.759 -5.621 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.325 -4.337 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.966 -6.768 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.527 -8.010 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.255 -7.172 -2.412 1.00 0.00 H new ATOM 800 N TRP A 55 -3.574 -4.591 -6.544 1.00 0.00 N ATOM 801 CA TRP A 55 -4.139 -3.265 -6.769 1.00 0.00 C ATOM 802 C TRP A 55 -3.769 -2.316 -5.634 1.00 0.00 C ATOM 803 O TRP A 55 -3.614 -2.736 -4.487 1.00 0.00 O ATOM 804 CB TRP A 55 -5.660 -3.351 -6.903 1.00 0.00 C ATOM 805 CG TRP A 55 -6.109 -4.310 -7.964 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.365 -5.642 -7.809 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.352 -4.010 -9.342 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.753 -6.189 -9.009 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.755 -5.208 -9.965 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.272 -2.846 -10.111 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.073 -5.273 -11.318 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.588 -2.912 -11.455 1.00 0.00 C ATOM 813 CH2 TRP A 55 -6.986 -4.118 -12.047 1.00 0.00 C ATOM 0 H TRP A 55 -4.252 -5.294 -6.250 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.722 -2.873 -7.697 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.085 -3.654 -5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.054 -2.360 -7.128 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.276 -6.186 -6.880 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.999 -7.167 -9.163 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.969 -1.911 -9.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.378 -6.202 -11.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.527 -2.019 -12.059 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.229 -4.136 -13.099 1.00 0.00 H new ATOM 824 N SER A 56 -3.630 -1.035 -5.960 1.00 0.00 N ATOM 825 CA SER A 56 -3.275 -0.028 -4.967 1.00 0.00 C ATOM 826 C SER A 56 -4.239 -0.067 -3.785 1.00 0.00 C ATOM 827 O SER A 56 -3.856 0.212 -2.649 1.00 0.00 O ATOM 828 CB SER A 56 -3.281 1.366 -5.599 1.00 0.00 C ATOM 829 OG SER A 56 -3.731 2.342 -4.676 1.00 0.00 O ATOM 0 H SER A 56 -3.758 -0.670 -6.904 1.00 0.00 H new ATOM 0 HA SER A 56 -2.272 -0.250 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.277 1.619 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.926 1.368 -6.478 1.00 0.00 H new ATOM 0 HG SER A 56 -3.724 3.224 -5.103 1.00 0.00 H new ATOM 835 N ARG A 57 -5.491 -0.414 -4.062 1.00 0.00 N ATOM 836 CA ARG A 57 -6.511 -0.488 -3.023 1.00 0.00 C ATOM 837 C ARG A 57 -6.287 -1.703 -2.127 1.00 0.00 C ATOM 838 O ARG A 57 -6.636 -1.689 -0.947 1.00 0.00 O ATOM 839 CB ARG A 57 -7.905 -0.554 -3.651 1.00 0.00 C ATOM 840 CG ARG A 57 -9.028 -0.249 -2.673 1.00 0.00 C ATOM 841 CD ARG A 57 -10.371 -0.153 -3.380 1.00 0.00 C ATOM 842 NE ARG A 57 -11.449 -0.742 -2.590 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.699 -2.046 -2.545 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.952 -2.892 -3.242 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.698 -2.506 -1.803 1.00 0.00 N ATOM 0 H ARG A 57 -5.824 -0.648 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.437 0.411 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.955 0.152 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.059 -1.549 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.071 -1.028 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.819 0.689 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.600 0.893 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.310 -0.658 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.042 -0.118 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.184 -2.542 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.146 -3.893 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.275 -1.858 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.889 -3.507 -1.769 1.00 0.00 H new ATOM 859 N ASP A 58 -5.703 -2.751 -2.697 1.00 0.00 N ATOM 860 CA ASP A 58 -5.431 -3.974 -1.950 1.00 0.00 C ATOM 861 C ASP A 58 -4.182 -3.818 -1.087 1.00 0.00 C ATOM 862 O ASP A 58 -4.233 -3.983 0.132 1.00 0.00 O ATOM 863 CB ASP A 58 -5.261 -5.155 -2.907 1.00 0.00 C ATOM 864 CG ASP A 58 -6.539 -5.952 -3.076 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.621 -5.332 -3.137 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.457 -7.197 -3.146 1.00 0.00 O ATOM 0 H ASP A 58 -5.409 -2.779 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.281 -4.167 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.935 -4.787 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.474 -5.811 -2.534 1.00 0.00 H new ATOM 871 N VAL A 59 -3.062 -3.501 -1.729 1.00 0.00 N ATOM 872 CA VAL A 59 -1.800 -3.322 -1.021 1.00 0.00 C ATOM 873 C VAL A 59 -1.931 -2.277 0.081 1.00 0.00 C ATOM 874 O VAL A 59 -1.186 -2.296 1.061 1.00 0.00 O ATOM 875 CB VAL A 59 -0.672 -2.901 -1.982 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.060 -1.642 -2.742 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.627 -2.694 -1.219 1.00 0.00 C ATOM 0 H VAL A 59 -3.003 -3.363 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.548 -4.285 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.518 -3.701 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.251 -1.360 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.965 -1.830 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.243 -0.832 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.413 -2.397 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.489 -1.913 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.911 -3.623 -0.725 1.00 0.00 H new ATOM 887 N ARG A 60 -2.884 -1.365 -0.086 1.00 0.00 N ATOM 888 CA ARG A 60 -3.112 -0.311 0.894 1.00 0.00 C ATOM 889 C ARG A 60 -3.833 -0.857 2.123 1.00 0.00 C ATOM 890 O ARG A 60 -3.498 -0.512 3.257 1.00 0.00 O ATOM 891 CB ARG A 60 -3.929 0.824 0.273 1.00 0.00 C ATOM 892 CG ARG A 60 -4.166 1.991 1.217 1.00 0.00 C ATOM 893 CD ARG A 60 -5.304 2.876 0.734 1.00 0.00 C ATOM 894 NE ARG A 60 -4.987 3.535 -0.530 1.00 0.00 N ATOM 895 CZ ARG A 60 -5.845 4.297 -1.198 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.067 4.497 -0.724 1.00 0.00 N ATOM 897 NH2 ARG A 60 -5.482 4.863 -2.342 1.00 0.00 N ATOM 0 H ARG A 60 -3.510 -1.335 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.142 0.076 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.414 1.186 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.892 0.431 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.395 1.613 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.254 2.583 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.205 2.274 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.523 3.629 1.491 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.055 3.403 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.350 4.065 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.724 5.083 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.542 4.713 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.143 5.448 -2.854 1.00 0.00 H new ATOM 911 N TYR A 61 -4.824 -1.711 1.890 1.00 0.00 N ATOM 912 CA TYR A 61 -5.594 -2.303 2.978 1.00 0.00 C ATOM 913 C TYR A 61 -4.715 -3.203 3.841 1.00 0.00 C ATOM 914 O TYR A 61 -4.688 -3.076 5.065 1.00 0.00 O ATOM 915 CB TYR A 61 -6.771 -3.105 2.419 1.00 0.00 C ATOM 916 CG TYR A 61 -8.029 -2.993 3.251 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.770 -1.818 3.270 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.476 -4.062 4.017 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.919 -1.711 4.028 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.625 -3.964 4.778 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.343 -2.787 4.780 1.00 0.00 C ATOM 922 OH TYR A 61 -11.488 -2.684 5.536 1.00 0.00 O ATOM 0 H TYR A 61 -5.113 -2.009 0.958 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.976 -1.494 3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.984 -2.764 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.484 -4.154 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.442 -0.974 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.916 -4.985 4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.483 -0.790 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.959 -4.805 5.368 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.648 -3.530 6.005 1.00 0.00 H new ATOM 932 N LYS A 62 -3.995 -4.114 3.193 1.00 0.00 N ATOM 933 CA LYS A 62 -3.112 -5.035 3.898 1.00 0.00 C ATOM 934 C LYS A 62 -1.991 -4.281 4.605 1.00 0.00 C ATOM 935 O LYS A 62 -1.517 -4.700 5.661 1.00 0.00 O ATOM 936 CB LYS A 62 -2.520 -6.054 2.922 1.00 0.00 C ATOM 937 CG LYS A 62 -3.322 -7.340 2.825 1.00 0.00 C ATOM 938 CD LYS A 62 -2.491 -8.473 2.245 1.00 0.00 C ATOM 939 CE LYS A 62 -2.994 -8.887 0.871 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.168 -9.799 0.963 1.00 0.00 N ATOM 0 H LYS A 62 -4.006 -4.234 2.180 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.702 -5.561 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.454 -5.601 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.503 -6.293 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.682 -7.621 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.201 -7.176 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.449 -8.161 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.522 -9.330 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.268 -7.999 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.191 -9.382 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.482 -10.059 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.900 -10.658 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.943 -9.318 1.463 1.00 0.00 H new ATOM 954 N SER A 63 -1.572 -3.165 4.016 1.00 0.00 N ATOM 955 CA SER A 63 -0.504 -2.353 4.589 1.00 0.00 C ATOM 956 C SER A 63 -1.034 -1.480 5.722 1.00 0.00 C ATOM 957 O SER A 63 -0.280 -1.054 6.596 1.00 0.00 O ATOM 958 CB SER A 63 0.133 -1.476 3.509 1.00 0.00 C ATOM 959 OG SER A 63 0.905 -2.253 2.611 1.00 0.00 O ATOM 0 H SER A 63 -1.955 -2.803 3.143 1.00 0.00 H new ATOM 0 HA SER A 63 0.252 -3.025 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.646 -0.947 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.764 -0.720 3.976 1.00 0.00 H new ATOM 0 HG SER A 63 0.465 -2.274 1.735 1.00 0.00 H new ATOM 965 N ASN A 64 -2.337 -1.219 5.700 1.00 0.00 N ATOM 966 CA ASN A 64 -2.969 -0.396 6.725 1.00 0.00 C ATOM 967 C ASN A 64 -2.418 1.027 6.697 1.00 0.00 C ATOM 968 O ASN A 64 -2.414 1.723 7.713 1.00 0.00 O ATOM 969 CB ASN A 64 -2.750 -1.012 8.109 1.00 0.00 C ATOM 970 CG ASN A 64 -3.954 -0.838 9.015 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.772 -1.746 9.159 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.066 0.333 9.632 1.00 0.00 N ATOM 0 H ASN A 64 -2.976 -1.565 4.984 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.038 -0.357 6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.530 -2.074 8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.878 -0.552 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.854 0.508 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.364 1.057 9.483 1.00 0.00 H new ATOM 979 N LEU A 65 -1.955 1.453 5.527 1.00 0.00 N ATOM 980 CA LEU A 65 -1.403 2.793 5.365 1.00 0.00 C ATOM 981 C LEU A 65 -2.323 3.662 4.513 1.00 0.00 C ATOM 982 O LEU A 65 -2.950 3.197 3.560 1.00 0.00 O ATOM 983 CB LEU A 65 -0.015 2.720 4.725 1.00 0.00 C ATOM 984 CG LEU A 65 0.940 1.680 5.311 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.198 1.573 4.463 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.292 2.029 6.749 1.00 0.00 C ATOM 0 H LEU A 65 -1.951 0.890 4.677 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.318 3.246 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.137 2.513 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.453 3.701 4.807 1.00 0.00 H new ATOM 0 HG LEU A 65 0.440 0.712 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.866 0.828 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.929 1.275 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.702 2.539 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.973 1.278 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.773 3.007 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.383 2.053 7.350 1.00 0.00 H new ATOM 998 N PRO A 66 -2.406 4.955 4.861 1.00 0.00 N ATOM 999 CA PRO A 66 -3.245 5.916 4.139 1.00 0.00 C ATOM 1000 C PRO A 66 -2.706 6.224 2.746 1.00 0.00 C ATOM 1001 O PRO A 66 -1.510 6.088 2.488 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.191 7.166 5.022 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.906 7.049 5.767 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.687 5.577 5.985 1.00 0.00 C ATOM 0 HA PRO A 66 -4.253 5.536 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.219 8.076 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.041 7.207 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.084 7.486 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.956 7.581 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.627 5.323 5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.084 5.250 6.946 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.596 6.641 1.852 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.210 6.970 0.484 1.00 0.00 C ATOM 1014 C LEU A 67 -2.043 7.952 0.469 1.00 0.00 C ATOM 1015 O LEU A 67 -1.160 7.872 -0.386 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.399 7.561 -0.274 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.173 8.666 0.446 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.214 9.928 -0.401 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.582 8.199 0.780 1.00 0.00 C ATOM 0 H LEU A 67 -4.590 6.759 2.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.894 6.051 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.038 7.957 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.092 6.753 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.658 8.896 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.769 10.703 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.197 10.273 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.705 9.713 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.118 8.998 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.107 7.941 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.531 7.323 1.427 1.00 0.00 H new ATOM 1031 N THR A 68 -2.043 8.878 1.423 1.00 0.00 N ATOM 1032 CA THR A 68 -0.985 9.876 1.520 1.00 0.00 C ATOM 1033 C THR A 68 0.385 9.215 1.625 1.00 0.00 C ATOM 1034 O THR A 68 1.387 9.769 1.173 1.00 0.00 O ATOM 1035 CB THR A 68 -1.192 10.798 2.736 1.00 0.00 C ATOM 1036 OG1 THR A 68 -2.472 11.435 2.655 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.099 11.854 2.807 1.00 0.00 C ATOM 0 H THR A 68 -2.764 8.957 2.140 1.00 0.00 H new ATOM 0 HA THR A 68 -1.029 10.473 0.609 1.00 0.00 H new ATOM 0 HB THR A 68 -1.146 10.188 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.597 12.018 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.266 12.493 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.872 11.367 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.118 12.459 1.901 1.00 0.00 H new ATOM 1045 N GLU A 69 0.421 8.029 2.224 1.00 0.00 N ATOM 1046 CA GLU A 69 1.669 7.294 2.388 1.00 0.00 C ATOM 1047 C GLU A 69 1.946 6.413 1.173 1.00 0.00 C ATOM 1048 O GLU A 69 2.978 6.550 0.516 1.00 0.00 O ATOM 1049 CB GLU A 69 1.619 6.435 3.653 1.00 0.00 C ATOM 1050 CG GLU A 69 1.881 7.216 4.930 1.00 0.00 C ATOM 1051 CD GLU A 69 3.359 7.441 5.183 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.173 6.617 4.717 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.701 8.441 5.848 1.00 0.00 O ATOM 0 H GLU A 69 -0.400 7.557 2.604 1.00 0.00 H new ATOM 0 HA GLU A 69 2.477 8.019 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.640 5.961 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.355 5.636 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.375 8.180 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.449 6.679 5.775 1.00 0.00 H new ATOM 1060 N ILE A 70 1.017 5.509 0.882 1.00 0.00 N ATOM 1061 CA ILE A 70 1.159 4.606 -0.254 1.00 0.00 C ATOM 1062 C ILE A 70 1.472 5.376 -1.532 1.00 0.00 C ATOM 1063 O ILE A 70 2.180 4.882 -2.409 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.115 3.769 -0.471 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.436 2.954 0.784 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.052 2.853 -1.675 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.617 1.922 1.121 1.00 0.00 C ATOM 0 H ILE A 70 0.158 5.382 1.417 1.00 0.00 H new ATOM 0 HA ILE A 70 1.988 3.937 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.948 4.445 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.551 3.633 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.394 2.452 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.857 2.268 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.239 3.453 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.894 2.181 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.323 1.383 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.716 1.220 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.572 2.419 1.291 1.00 0.00 H new ATOM 1079 N ASN A 71 0.940 6.590 -1.631 1.00 0.00 N ATOM 1080 CA ASN A 71 1.164 7.430 -2.802 1.00 0.00 C ATOM 1081 C ASN A 71 2.652 7.694 -3.006 1.00 0.00 C ATOM 1082 O ASN A 71 3.130 7.777 -4.137 1.00 0.00 O ATOM 1083 CB ASN A 71 0.414 8.756 -2.655 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.018 8.668 -3.144 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.394 7.717 -3.831 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.826 9.661 -2.793 1.00 0.00 N ATOM 0 H ASN A 71 0.351 7.014 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 71 0.785 6.901 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.419 9.059 -1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.939 9.531 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.801 9.656 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.472 10.429 -2.223 1.00 0.00 H new ATOM 1093 N LYS A 72 3.381 7.826 -1.902 1.00 0.00 N ATOM 1094 CA LYS A 72 4.816 8.079 -1.958 1.00 0.00 C ATOM 1095 C LYS A 72 5.594 6.773 -2.084 1.00 0.00 C ATOM 1096 O LYS A 72 6.596 6.703 -2.796 1.00 0.00 O ATOM 1097 CB LYS A 72 5.270 8.837 -0.709 1.00 0.00 C ATOM 1098 CG LYS A 72 6.778 8.961 -0.587 1.00 0.00 C ATOM 1099 CD LYS A 72 7.175 9.756 0.646 1.00 0.00 C ATOM 1100 CE LYS A 72 7.606 8.842 1.783 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.809 9.594 3.053 1.00 0.00 N ATOM 0 H LYS A 72 3.001 7.762 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 72 5.018 8.688 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.832 9.835 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.883 8.329 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.223 7.967 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.177 9.446 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.989 10.436 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.335 10.371 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.851 8.070 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.531 8.334 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.102 8.936 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.547 10.314 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.920 10.058 3.328 1.00 0.00 H new ATOM 1115 N ILE A 73 5.126 5.741 -1.390 1.00 0.00 N ATOM 1116 CA ILE A 73 5.777 4.438 -1.427 1.00 0.00 C ATOM 1117 C ILE A 73 5.716 3.833 -2.825 1.00 0.00 C ATOM 1118 O ILE A 73 6.747 3.526 -3.426 1.00 0.00 O ATOM 1119 CB ILE A 73 5.133 3.458 -0.428 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.175 4.038 0.987 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.840 2.112 -0.475 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.484 3.171 2.017 1.00 0.00 C ATOM 0 H ILE A 73 4.298 5.782 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 73 6.818 4.598 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 73 4.091 3.309 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.215 4.180 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.708 5.023 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.373 1.431 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.764 1.696 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.890 2.244 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.553 3.644 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.435 3.050 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.965 2.194 2.052 1.00 0.00 H new ATOM 1134 N LEU A 74 4.503 3.664 -3.339 1.00 0.00 N ATOM 1135 CA LEU A 74 4.307 3.097 -4.669 1.00 0.00 C ATOM 1136 C LEU A 74 5.147 3.837 -5.705 1.00 0.00 C ATOM 1137 O LEU A 74 5.630 3.241 -6.669 1.00 0.00 O ATOM 1138 CB LEU A 74 2.829 3.157 -5.058 1.00 0.00 C ATOM 1139 CG LEU A 74 1.932 2.076 -4.454 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.488 2.276 -4.888 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.423 0.692 -4.852 1.00 0.00 C ATOM 0 H LEU A 74 3.640 3.911 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 74 4.628 2.056 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.436 4.131 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.757 3.096 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 74 1.978 2.158 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.135 1.497 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.139 3.253 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.424 2.222 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.773 -0.065 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.407 0.599 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.441 0.549 -4.490 1.00 0.00 H new ATOM 1153 N LYS A 75 5.320 5.138 -5.500 1.00 0.00 N ATOM 1154 CA LYS A 75 6.105 5.960 -6.414 1.00 0.00 C ATOM 1155 C LYS A 75 7.598 5.799 -6.144 1.00 0.00 C ATOM 1156 O LYS A 75 8.418 5.913 -7.054 1.00 0.00 O ATOM 1157 CB LYS A 75 5.707 7.431 -6.279 1.00 0.00 C ATOM 1158 CG LYS A 75 6.596 8.376 -7.069 1.00 0.00 C ATOM 1159 CD LYS A 75 7.717 8.937 -6.210 1.00 0.00 C ATOM 1160 CE LYS A 75 8.297 10.208 -6.811 1.00 0.00 C ATOM 1161 NZ LYS A 75 9.443 9.920 -7.717 1.00 0.00 N ATOM 0 H LYS A 75 4.927 5.647 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 75 5.900 5.626 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.676 7.552 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.737 7.712 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.020 7.849 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.996 9.195 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.340 9.146 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.504 8.191 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.520 10.735 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.625 10.872 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.810 10.812 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.195 9.439 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.125 9.308 -8.495 1.00 0.00 H new ATOM 1175 N ASN A 76 7.942 5.532 -4.889 1.00 0.00 N ATOM 1176 CA ASN A 76 9.337 5.354 -4.500 1.00 0.00 C ATOM 1177 C ASN A 76 9.952 4.155 -5.215 1.00 0.00 C ATOM 1178 O ASN A 76 10.924 4.293 -5.959 1.00 0.00 O ATOM 1179 CB ASN A 76 9.446 5.170 -2.985 1.00 0.00 C ATOM 1180 CG ASN A 76 10.514 6.055 -2.371 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.709 5.826 -2.559 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.086 7.072 -1.632 1.00 0.00 N ATOM 0 H ASN A 76 7.275 5.434 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 76 9.887 6.249 -4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.484 5.393 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.671 4.127 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.758 7.702 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.086 7.224 -1.504 1.00 0.00 H new ATOM 1189 N LEU A 77 9.380 2.978 -4.984 1.00 0.00 N ATOM 1190 CA LEU A 77 9.871 1.754 -5.607 1.00 0.00 C ATOM 1191 C LEU A 77 9.992 1.921 -7.118 1.00 0.00 C ATOM 1192 O LEU A 77 10.920 1.402 -7.737 1.00 0.00 O ATOM 1193 CB LEU A 77 8.939 0.585 -5.284 1.00 0.00 C ATOM 1194 CG LEU A 77 9.169 -0.106 -3.940 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.968 -0.961 -3.566 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.434 -0.950 -3.984 1.00 0.00 C ATOM 0 H LEU A 77 8.576 2.846 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 77 10.862 1.543 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.911 0.947 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.036 -0.160 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 77 9.294 0.661 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.150 -1.445 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.082 -0.331 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.810 -1.721 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.582 -1.434 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.338 -1.709 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.290 -0.312 -4.205 1.00 0.00 H new ATOM 1208 N GLU A 78 9.048 2.651 -7.704 1.00 0.00 N ATOM 1209 CA GLU A 78 9.050 2.888 -9.143 1.00 0.00 C ATOM 1210 C GLU A 78 10.354 3.545 -9.585 1.00 0.00 C ATOM 1211 O GLU A 78 11.063 3.026 -10.447 1.00 0.00 O ATOM 1212 CB GLU A 78 7.863 3.768 -9.539 1.00 0.00 C ATOM 1213 CG GLU A 78 7.500 3.674 -11.012 1.00 0.00 C ATOM 1214 CD GLU A 78 7.950 4.888 -11.802 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.351 5.969 -11.621 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.901 4.756 -12.601 1.00 0.00 O ATOM 0 H GLU A 78 8.273 3.088 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 78 8.961 1.924 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.997 3.485 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.093 4.805 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.954 2.779 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.420 3.561 -11.110 1.00 0.00 H new ATOM 1223 N SER A 79 10.664 4.691 -8.987 1.00 0.00 N ATOM 1224 CA SER A 79 11.880 5.423 -9.321 1.00 0.00 C ATOM 1225 C SER A 79 13.113 4.546 -9.125 1.00 0.00 C ATOM 1226 O SER A 79 14.077 4.628 -9.887 1.00 0.00 O ATOM 1227 CB SER A 79 11.995 6.683 -8.462 1.00 0.00 C ATOM 1228 OG SER A 79 12.034 7.848 -9.267 1.00 0.00 O ATOM 0 H SER A 79 10.090 5.132 -8.269 1.00 0.00 H new ATOM 0 HA SER A 79 11.824 5.712 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.149 6.739 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.896 6.629 -7.851 1.00 0.00 H new ATOM 0 HG SER A 79 12.106 8.640 -8.694 1.00 0.00 H new ATOM 1234 N LYS A 80 13.075 3.705 -8.097 1.00 0.00 N ATOM 1235 CA LYS A 80 14.187 2.810 -7.798 1.00 0.00 C ATOM 1236 C LYS A 80 14.335 1.746 -8.881 1.00 0.00 C ATOM 1237 O LYS A 80 15.345 1.045 -8.944 1.00 0.00 O ATOM 1238 CB LYS A 80 13.980 2.142 -6.437 1.00 0.00 C ATOM 1239 CG LYS A 80 13.573 3.111 -5.340 1.00 0.00 C ATOM 1240 CD LYS A 80 14.443 2.951 -4.105 1.00 0.00 C ATOM 1241 CE LYS A 80 13.950 3.822 -2.959 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.494 5.206 -3.041 1.00 0.00 N ATOM 0 H LYS A 80 12.285 3.624 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 80 15.101 3.404 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.215 1.372 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.902 1.641 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.649 4.134 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.529 2.944 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.446 1.906 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.472 3.215 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.861 3.858 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.242 3.373 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.218 5.339 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.920 5.357 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.724 5.891 -2.897 1.00 0.00 H new ATOM 1256 N LYS A 81 13.322 1.631 -9.733 1.00 0.00 N ATOM 1257 CA LYS A 81 13.339 0.654 -10.816 1.00 0.00 C ATOM 1258 C LYS A 81 13.370 -0.768 -10.265 1.00 0.00 C ATOM 1259 O LYS A 81 13.981 -1.660 -10.856 1.00 0.00 O ATOM 1260 CB LYS A 81 14.551 0.888 -11.722 1.00 0.00 C ATOM 1261 CG LYS A 81 14.301 0.527 -13.176 1.00 0.00 C ATOM 1262 CD LYS A 81 15.088 1.424 -14.116 1.00 0.00 C ATOM 1263 CE LYS A 81 14.219 2.538 -14.680 1.00 0.00 C ATOM 1264 NZ LYS A 81 14.481 2.766 -16.128 1.00 0.00 N ATOM 0 H LYS A 81 12.478 2.203 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 81 12.427 0.779 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.842 1.937 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.391 0.302 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.579 -0.513 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.237 0.613 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.936 1.856 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.495 0.829 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.168 2.287 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.405 3.459 -14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.870 3.532 -16.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.478 3.030 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.279 1.895 -16.659 1.00 0.00 H new ATOM 1278 N LEU A 82 12.707 -0.973 -9.132 1.00 0.00 N ATOM 1279 CA LEU A 82 12.657 -2.288 -8.503 1.00 0.00 C ATOM 1280 C LEU A 82 11.349 -3.000 -8.832 1.00 0.00 C ATOM 1281 O LEU A 82 11.282 -4.230 -8.828 1.00 0.00 O ATOM 1282 CB LEU A 82 12.810 -2.156 -6.987 1.00 0.00 C ATOM 1283 CG LEU A 82 14.225 -1.877 -6.477 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.231 -1.750 -4.962 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.180 -2.973 -6.927 1.00 0.00 C ATOM 0 H LEU A 82 12.197 -0.246 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 82 13.482 -2.882 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.157 -1.353 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.453 -3.076 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 82 14.564 -0.932 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.246 -1.552 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.579 -0.929 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.872 -2.678 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.182 -2.758 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.845 -3.932 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.199 -3.015 -8.016 1.00 0.00 H new ATOM 1297 N ILE A 83 10.313 -2.220 -9.120 1.00 0.00 N ATOM 1298 CA ILE A 83 9.008 -2.776 -9.455 1.00 0.00 C ATOM 1299 C ILE A 83 8.546 -2.306 -10.831 1.00 0.00 C ATOM 1300 O ILE A 83 9.203 -1.485 -11.471 1.00 0.00 O ATOM 1301 CB ILE A 83 7.945 -2.390 -8.410 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.801 -0.868 -8.336 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.311 -2.959 -7.047 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.728 -0.409 -7.374 1.00 0.00 C ATOM 0 H ILE A 83 10.352 -1.201 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 83 9.121 -3.860 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 83 6.987 -2.813 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.755 -0.435 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.575 -0.484 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.550 -2.678 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.369 -4.046 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.277 -2.562 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.682 0.680 -7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.764 -0.813 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.963 -0.763 -6.370 1.00 0.00 H new ATOM 1316 N LYS A 84 7.411 -2.830 -11.279 1.00 0.00 N ATOM 1317 CA LYS A 84 6.858 -2.462 -12.577 1.00 0.00 C ATOM 1318 C LYS A 84 5.350 -2.251 -12.486 1.00 0.00 C ATOM 1319 O LYS A 84 4.607 -3.161 -12.120 1.00 0.00 O ATOM 1320 CB LYS A 84 7.170 -3.545 -13.612 1.00 0.00 C ATOM 1321 CG LYS A 84 6.626 -4.914 -13.244 1.00 0.00 C ATOM 1322 CD LYS A 84 7.383 -6.025 -13.952 1.00 0.00 C ATOM 1323 CE LYS A 84 6.528 -6.692 -15.018 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.446 -5.870 -16.258 1.00 0.00 N ATOM 0 H LYS A 84 6.855 -3.512 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 84 7.320 -1.525 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.756 -3.246 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.250 -3.615 -13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.695 -5.056 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.569 -4.969 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.285 -5.618 -14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.704 -6.769 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.944 -7.670 -15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.525 -6.860 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.855 -6.359 -16.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.025 -4.946 -16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.401 -5.731 -16.646 1.00 0.00 H new ATOM 1338 N ALA A 85 4.904 -1.045 -12.822 1.00 0.00 N ATOM 1339 CA ALA A 85 3.485 -0.716 -12.782 1.00 0.00 C ATOM 1340 C ALA A 85 2.757 -1.275 -13.999 1.00 0.00 C ATOM 1341 O ALA A 85 3.288 -1.269 -15.110 1.00 0.00 O ATOM 1342 CB ALA A 85 3.295 0.791 -12.696 1.00 0.00 C ATOM 0 H ALA A 85 5.506 -0.279 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 85 3.056 -1.176 -11.892 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.230 1.022 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.773 1.167 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.746 1.265 -13.568 1.00 0.00 H new ATOM 1348 N VAL A 86 1.537 -1.758 -13.784 1.00 0.00 N ATOM 1349 CA VAL A 86 0.736 -2.320 -14.864 1.00 0.00 C ATOM 1350 C VAL A 86 -0.669 -1.729 -14.871 1.00 0.00 C ATOM 1351 O VAL A 86 -1.437 -1.913 -13.926 1.00 0.00 O ATOM 1352 CB VAL A 86 0.636 -3.853 -14.749 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.940 -4.507 -15.180 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.271 -4.258 -13.329 1.00 0.00 C ATOM 0 H VAL A 86 1.082 -1.771 -12.871 1.00 0.00 H new ATOM 0 HA VAL A 86 1.239 -2.065 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.154 -4.199 -15.416 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.850 -5.590 -15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.154 -4.244 -16.216 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.751 -4.157 -14.541 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.205 -5.344 -13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.037 -3.901 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.690 -3.820 -13.061 1.00 0.00 H new ATOM 1364 N LYS A 87 -1.001 -1.019 -15.944 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.315 -0.402 -16.077 1.00 0.00 C ATOM 1366 C LYS A 87 -3.338 -1.405 -16.600 1.00 0.00 C ATOM 1367 O LYS A 87 -2.976 -2.430 -17.177 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.242 0.805 -17.015 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.468 1.978 -16.440 1.00 0.00 C ATOM 1370 CD LYS A 87 -0.468 2.531 -17.441 1.00 0.00 C ATOM 1371 CE LYS A 87 0.532 3.463 -16.773 1.00 0.00 C ATOM 1372 NZ LYS A 87 0.436 4.851 -17.303 1.00 0.00 N ATOM 0 H LYS A 87 -0.377 -0.857 -16.735 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.633 -0.068 -15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.777 0.498 -17.952 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.255 1.131 -17.253 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.163 2.765 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.944 1.662 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.063 1.708 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.998 3.068 -18.228 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.357 3.472 -15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.542 3.084 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.133 5.455 -16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.628 4.846 -18.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.520 5.223 -17.132 1.00 0.00 H new