USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 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= -0.673 K(o=-0.67,f=-3.4!) 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+ -111:sc= -0.0891 (180deg=-0.336) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 104:sc= 0.113 USER MOD Single : A 64 ASN :FLIP amide:sc= 0.787 F(o=-0.22,f=0.79) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.7!) 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+ -171:sc= 0 (180deg=-0.0752) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.605 0.921 -10.252 1.00 0.00 N ATOM 230 CA LEU A 19 -4.457 0.512 -11.054 1.00 0.00 C ATOM 231 C LEU A 19 -3.813 -0.746 -10.481 1.00 0.00 C ATOM 232 O LEU A 19 -3.940 -1.034 -9.290 1.00 0.00 O ATOM 233 CB LEU A 19 -3.427 1.642 -11.118 1.00 0.00 C ATOM 234 CG LEU A 19 -3.453 2.503 -12.381 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.538 3.978 -12.020 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.225 2.231 -13.238 1.00 0.00 C ATOM 0 HA LEU A 19 -4.809 0.291 -12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.577 2.292 -10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.433 1.206 -11.020 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.339 2.240 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.555 4.575 -12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.448 4.161 -11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.671 4.256 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.261 2.853 -14.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.325 2.465 -12.669 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.208 1.180 -13.527 1.00 0.00 H new ATOM 248 N LEU A 20 -3.120 -1.491 -11.335 1.00 0.00 N ATOM 249 CA LEU A 20 -2.453 -2.718 -10.913 1.00 0.00 C ATOM 250 C LEU A 20 -0.948 -2.506 -10.790 1.00 0.00 C ATOM 251 O LEU A 20 -0.370 -1.667 -11.482 1.00 0.00 O ATOM 252 CB LEU A 20 -2.741 -3.846 -11.906 1.00 0.00 C ATOM 253 CG LEU A 20 -2.410 -5.261 -11.430 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.138 -5.570 -10.131 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.769 -6.281 -12.501 1.00 0.00 C ATOM 0 H LEU A 20 -3.005 -1.267 -12.323 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.843 -2.995 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.798 -3.811 -12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.179 -3.651 -12.819 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.338 -5.321 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.891 -6.581 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.832 -4.858 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.214 -5.493 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.527 -7.282 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.836 -6.221 -12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.202 -6.071 -13.408 1.00 0.00 H new ATOM 267 N TYR A 21 -0.318 -3.271 -9.906 1.00 0.00 N ATOM 268 CA TYR A 21 1.120 -3.167 -9.691 1.00 0.00 C ATOM 269 C TYR A 21 1.758 -4.549 -9.588 1.00 0.00 C ATOM 270 O TYR A 21 1.070 -5.548 -9.376 1.00 0.00 O ATOM 271 CB TYR A 21 1.411 -2.363 -8.423 1.00 0.00 C ATOM 272 CG TYR A 21 1.520 -0.874 -8.662 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.385 -0.074 -8.717 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.758 -0.266 -8.833 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.480 1.287 -8.935 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.863 1.094 -9.051 1.00 0.00 C ATOM 277 CZ TYR A 21 1.721 1.866 -9.101 1.00 0.00 C ATOM 278 OH TYR A 21 1.821 3.221 -9.319 1.00 0.00 O ATOM 0 H TYR A 21 -0.781 -3.971 -9.326 1.00 0.00 H new ATOM 0 HA TYR A 21 1.552 -2.651 -10.548 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.621 -2.549 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.341 -2.721 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.588 -0.524 -8.587 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.654 -0.868 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.412 1.894 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.833 1.550 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 21 2.765 3.468 -9.414 1.00 0.00 H new ATOM 288 N ARG A 22 3.077 -4.598 -9.740 1.00 0.00 N ATOM 289 CA ARG A 22 3.809 -5.856 -9.664 1.00 0.00 C ATOM 290 C ARG A 22 5.292 -5.608 -9.408 1.00 0.00 C ATOM 291 O ARG A 22 5.791 -4.501 -9.611 1.00 0.00 O ATOM 292 CB ARG A 22 3.630 -6.653 -10.958 1.00 0.00 C ATOM 293 CG ARG A 22 2.480 -7.644 -10.909 1.00 0.00 C ATOM 294 CD ARG A 22 2.573 -8.662 -12.036 1.00 0.00 C ATOM 295 NE ARG A 22 1.799 -8.256 -13.206 1.00 0.00 N ATOM 296 CZ ARG A 22 1.915 -8.830 -14.398 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.768 -9.829 -14.577 1.00 0.00 N ATOM 298 NH2 ARG A 22 1.176 -8.404 -15.415 1.00 0.00 N ATOM 0 H ARG A 22 3.661 -3.780 -9.917 1.00 0.00 H new ATOM 0 HA ARG A 22 3.406 -6.432 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.465 -5.959 -11.782 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.553 -7.191 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.484 -8.161 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.533 -7.108 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.617 -8.794 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.215 -9.629 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 22 1.133 -7.490 -13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.338 -10.159 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.855 -10.268 -15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.519 -7.636 -15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.265 -8.845 -16.330 1.00 0.00 H new ATOM 312 N ILE A 23 5.992 -6.646 -8.960 1.00 0.00 N ATOM 313 CA ILE A 23 7.417 -6.540 -8.676 1.00 0.00 C ATOM 314 C ILE A 23 8.251 -6.983 -9.874 1.00 0.00 C ATOM 315 O ILE A 23 7.850 -7.868 -10.630 1.00 0.00 O ATOM 316 CB ILE A 23 7.812 -7.385 -7.451 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.416 -8.848 -7.663 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.158 -6.831 -6.193 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.259 -9.823 -6.873 1.00 0.00 C ATOM 0 H ILE A 23 5.595 -7.569 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 23 7.618 -5.490 -8.463 1.00 0.00 H new ATOM 0 HB ILE A 23 8.894 -7.336 -7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.370 -8.977 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.496 -9.087 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.446 -7.439 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.484 -5.803 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.074 -6.854 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.922 -10.840 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.304 -9.723 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.160 -9.610 -5.809 1.00 0.00 H new ATOM 331 N LYS A 24 9.413 -6.363 -10.041 1.00 0.00 N ATOM 332 CA LYS A 24 10.307 -6.694 -11.145 1.00 0.00 C ATOM 333 C LYS A 24 11.525 -7.464 -10.647 1.00 0.00 C ATOM 334 O LYS A 24 12.173 -7.062 -9.680 1.00 0.00 O ATOM 335 CB LYS A 24 10.755 -5.420 -11.865 1.00 0.00 C ATOM 336 CG LYS A 24 10.978 -5.610 -13.355 1.00 0.00 C ATOM 337 CD LYS A 24 9.690 -5.983 -14.069 1.00 0.00 C ATOM 338 CE LYS A 24 9.892 -7.167 -15.002 1.00 0.00 C ATOM 339 NZ LYS A 24 9.293 -8.415 -14.451 1.00 0.00 N ATOM 0 H LYS A 24 9.759 -5.627 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 24 9.761 -7.327 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.004 -4.644 -11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.679 -5.062 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.380 -4.692 -13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.723 -6.389 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.922 -6.225 -13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.328 -5.127 -14.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.445 -6.946 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.958 -7.319 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.051 -9.077 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.726 -8.186 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.683 -8.854 -15.170 1.00 0.00 H new ATOM 583 N LEU A 41 7.463 -3.458 3.851 1.00 0.00 N ATOM 584 CA LEU A 41 6.108 -3.887 4.179 1.00 0.00 C ATOM 585 C LEU A 41 5.225 -3.901 2.935 1.00 0.00 C ATOM 586 O LEU A 41 4.365 -4.768 2.780 1.00 0.00 O ATOM 587 CB LEU A 41 5.502 -2.964 5.238 1.00 0.00 C ATOM 588 CG LEU A 41 4.116 -3.354 5.754 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.180 -4.672 6.510 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.549 -2.255 6.641 1.00 0.00 C ATOM 0 HA LEU A 41 6.160 -4.901 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.185 -2.920 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.444 -1.958 4.824 1.00 0.00 H new ATOM 0 HG LEU A 41 3.453 -3.481 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.185 -4.934 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.543 -5.456 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.858 -4.573 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.563 -2.549 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.212 -2.096 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.466 -1.331 6.068 1.00 0.00 H new ATOM 602 N VAL A 42 5.446 -2.935 2.049 1.00 0.00 N ATOM 603 CA VAL A 42 4.673 -2.838 0.816 1.00 0.00 C ATOM 604 C VAL A 42 5.219 -3.781 -0.251 1.00 0.00 C ATOM 605 O VAL A 42 4.479 -4.582 -0.823 1.00 0.00 O ATOM 606 CB VAL A 42 4.675 -1.400 0.264 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.834 -1.312 -1.000 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.171 -0.425 1.318 1.00 0.00 C ATOM 0 H VAL A 42 6.153 -2.209 2.162 1.00 0.00 H new ATOM 0 HA VAL A 42 3.650 -3.124 1.061 1.00 0.00 H new ATOM 0 HB VAL A 42 5.699 -1.128 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.847 -0.289 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.243 -1.981 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.808 -1.603 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.179 0.586 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.154 -0.693 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.819 -0.469 2.194 1.00 0.00 H new ATOM 618 N TYR A 43 6.517 -3.680 -0.513 1.00 0.00 N ATOM 619 CA TYR A 43 7.162 -4.522 -1.513 1.00 0.00 C ATOM 620 C TYR A 43 6.862 -5.996 -1.259 1.00 0.00 C ATOM 621 O TYR A 43 6.808 -6.799 -2.190 1.00 0.00 O ATOM 622 CB TYR A 43 8.674 -4.290 -1.507 1.00 0.00 C ATOM 623 CG TYR A 43 9.396 -4.970 -2.648 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.827 -6.286 -2.536 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.647 -4.297 -3.837 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.488 -6.912 -3.575 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.306 -4.916 -4.882 1.00 0.00 C ATOM 628 CZ TYR A 43 10.724 -6.223 -4.747 1.00 0.00 C ATOM 629 OH TYR A 43 11.382 -6.842 -5.785 1.00 0.00 O ATOM 0 H TYR A 43 7.143 -3.023 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 43 6.763 -4.251 -2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.869 -3.218 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.084 -4.649 -0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.642 -6.829 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.322 -3.273 -3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.818 -7.935 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.493 -4.379 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 43 11.466 -6.219 -6.537 1.00 0.00 H new ATOM 639 N GLN A 44 6.668 -6.344 0.009 1.00 0.00 N ATOM 640 CA GLN A 44 6.374 -7.721 0.387 1.00 0.00 C ATOM 641 C GLN A 44 5.009 -8.150 -0.141 1.00 0.00 C ATOM 642 O GLN A 44 4.854 -9.254 -0.664 1.00 0.00 O ATOM 643 CB GLN A 44 6.417 -7.876 1.908 1.00 0.00 C ATOM 644 CG GLN A 44 7.816 -8.112 2.456 1.00 0.00 C ATOM 645 CD GLN A 44 8.124 -9.584 2.653 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.145 -10.080 3.780 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.365 -10.290 1.555 1.00 0.00 N ATOM 0 H GLN A 44 6.709 -5.691 0.792 1.00 0.00 H new ATOM 0 HA GLN A 44 7.134 -8.363 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.002 -6.979 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.777 -8.709 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.547 -7.680 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.922 -7.592 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.337 -9.837 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.578 -11.285 1.625 1.00 0.00 H new ATOM 656 N ILE A 45 4.023 -7.271 0.000 1.00 0.00 N ATOM 657 CA ILE A 45 2.671 -7.559 -0.463 1.00 0.00 C ATOM 658 C ILE A 45 2.621 -7.661 -1.984 1.00 0.00 C ATOM 659 O ILE A 45 2.066 -8.613 -2.534 1.00 0.00 O ATOM 660 CB ILE A 45 1.675 -6.480 0.000 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.740 -6.314 1.520 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.263 -6.838 -0.439 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.980 -5.108 2.029 1.00 0.00 C ATOM 0 H ILE A 45 4.135 -6.353 0.431 1.00 0.00 H new ATOM 0 HA ILE A 45 2.386 -8.516 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 45 1.949 -5.532 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.341 -7.211 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.783 -6.231 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.429 -6.065 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.227 -6.911 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.022 -7.795 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.069 -5.053 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.394 -4.203 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.071 -5.199 1.756 1.00 0.00 H new ATOM 675 N ILE A 46 3.206 -6.676 -2.657 1.00 0.00 N ATOM 676 CA ILE A 46 3.231 -6.657 -4.114 1.00 0.00 C ATOM 677 C ILE A 46 3.938 -7.889 -4.668 1.00 0.00 C ATOM 678 O ILE A 46 3.541 -8.435 -5.697 1.00 0.00 O ATOM 679 CB ILE A 46 3.930 -5.393 -4.649 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.229 -4.137 -4.128 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.951 -5.403 -6.170 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.950 -2.854 -4.479 1.00 0.00 C ATOM 0 H ILE A 46 3.669 -5.881 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 46 2.193 -6.656 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 46 4.960 -5.386 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.218 -4.099 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.134 -4.206 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.448 -4.503 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.491 -6.283 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.929 -5.430 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.397 -2.005 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.952 -2.870 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.022 -2.762 -5.563 1.00 0.00 H new ATOM 694 N GLU A 47 4.988 -8.323 -3.977 1.00 0.00 N ATOM 695 CA GLU A 47 5.750 -9.491 -4.400 1.00 0.00 C ATOM 696 C GLU A 47 4.902 -10.757 -4.308 1.00 0.00 C ATOM 697 O GLU A 47 5.009 -11.651 -5.148 1.00 0.00 O ATOM 698 CB GLU A 47 7.009 -9.644 -3.544 1.00 0.00 C ATOM 699 CG GLU A 47 7.813 -10.894 -3.861 1.00 0.00 C ATOM 700 CD GLU A 47 7.801 -11.899 -2.725 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.816 -12.659 -2.617 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.775 -11.925 -1.945 1.00 0.00 O ATOM 0 H GLU A 47 5.330 -7.883 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 47 6.042 -9.345 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.643 -8.769 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.723 -9.663 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.411 -11.362 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.843 -10.613 -4.082 1.00 0.00 H new ATOM 709 N ASP A 48 4.061 -10.824 -3.283 1.00 0.00 N ATOM 710 CA ASP A 48 3.194 -11.979 -3.080 1.00 0.00 C ATOM 711 C ASP A 48 2.295 -12.203 -4.292 1.00 0.00 C ATOM 712 O ASP A 48 2.026 -13.341 -4.675 1.00 0.00 O ATOM 713 CB ASP A 48 2.340 -11.788 -1.825 1.00 0.00 C ATOM 714 CG ASP A 48 1.894 -13.106 -1.223 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.748 -14.002 -1.055 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.690 -13.241 -0.918 1.00 0.00 O ATOM 0 H ASP A 48 3.961 -10.092 -2.579 1.00 0.00 H new ATOM 0 HA ASP A 48 3.825 -12.858 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.909 -11.227 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.463 -11.190 -2.073 1.00 0.00 H new ATOM 721 N ALA A 49 1.833 -11.110 -4.890 1.00 0.00 N ATOM 722 CA ALA A 49 0.966 -11.188 -6.059 1.00 0.00 C ATOM 723 C ALA A 49 1.681 -11.852 -7.231 1.00 0.00 C ATOM 724 O ALA A 49 1.061 -12.537 -8.042 1.00 0.00 O ATOM 725 CB ALA A 49 0.483 -9.799 -6.451 1.00 0.00 C ATOM 0 H ALA A 49 2.045 -10.160 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 49 0.103 -11.802 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.164 -9.872 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.074 -9.361 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.341 -9.168 -6.685 1.00 0.00 H new ATOM 731 N GLY A 50 2.992 -11.643 -7.313 1.00 0.00 N ATOM 732 CA GLY A 50 3.770 -12.228 -8.389 1.00 0.00 C ATOM 733 C GLY A 50 3.331 -11.737 -9.755 1.00 0.00 C ATOM 734 O GLY A 50 3.609 -10.599 -10.131 1.00 0.00 O ATOM 0 H GLY A 50 3.528 -11.079 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.824 -11.990 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.680 -13.314 -8.350 1.00 0.00 H new ATOM 738 N ASN A 51 2.645 -12.598 -10.499 1.00 0.00 N ATOM 739 CA ASN A 51 2.169 -12.247 -11.832 1.00 0.00 C ATOM 740 C ASN A 51 0.752 -11.682 -11.772 1.00 0.00 C ATOM 741 O ASN A 51 0.348 -10.896 -12.629 1.00 0.00 O ATOM 742 CB ASN A 51 2.203 -13.472 -12.748 1.00 0.00 C ATOM 743 CG ASN A 51 3.492 -13.564 -13.541 1.00 0.00 C ATOM 744 OD1 ASN A 51 3.574 -13.084 -14.672 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.508 -14.183 -12.950 1.00 0.00 N ATOM 0 H ASN A 51 2.406 -13.544 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 51 2.830 -11.481 -12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.083 -14.374 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.358 -13.432 -13.436 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.401 -14.275 -13.435 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.396 -14.566 -12.011 1.00 0.00 H new ATOM 752 N LYS A 52 0.002 -12.089 -10.753 1.00 0.00 N ATOM 753 CA LYS A 52 -1.369 -11.623 -10.579 1.00 0.00 C ATOM 754 C LYS A 52 -1.402 -10.126 -10.290 1.00 0.00 C ATOM 755 O LYS A 52 -2.372 -9.443 -10.615 1.00 0.00 O ATOM 756 CB LYS A 52 -2.048 -12.388 -9.441 1.00 0.00 C ATOM 757 CG LYS A 52 -1.831 -13.890 -9.503 1.00 0.00 C ATOM 758 CD LYS A 52 -3.113 -14.652 -9.212 1.00 0.00 C ATOM 759 CE LYS A 52 -2.853 -16.142 -9.055 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.234 -16.904 -10.276 1.00 0.00 N ATOM 0 H LYS A 52 0.320 -12.740 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.910 -11.808 -11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.672 -12.014 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.118 -12.183 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.460 -14.164 -10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.065 -14.178 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.570 -14.264 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.826 -14.489 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.797 -16.306 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.415 -16.520 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.041 -17.915 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.247 -16.769 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.680 -16.561 -11.086 1.00 0.00 H new ATOM 774 N GLY A 53 -0.335 -9.622 -9.678 1.00 0.00 N ATOM 775 CA GLY A 53 -0.263 -8.208 -9.357 1.00 0.00 C ATOM 776 C GLY A 53 -1.264 -7.803 -8.293 1.00 0.00 C ATOM 777 O GLY A 53 -2.265 -8.488 -8.081 1.00 0.00 O ATOM 0 H GLY A 53 0.481 -10.167 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.744 -7.967 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.441 -7.624 -10.260 1.00 0.00 H new ATOM 781 N ILE A 54 -0.994 -6.688 -7.623 1.00 0.00 N ATOM 782 CA ILE A 54 -1.880 -6.194 -6.576 1.00 0.00 C ATOM 783 C ILE A 54 -2.322 -4.762 -6.860 1.00 0.00 C ATOM 784 O ILE A 54 -1.514 -3.917 -7.245 1.00 0.00 O ATOM 785 CB ILE A 54 -1.200 -6.244 -5.195 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.216 -5.941 -4.091 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.040 -5.261 -5.139 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.264 -6.995 -3.007 1.00 0.00 C ATOM 0 H ILE A 54 -0.170 -6.110 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.753 -6.846 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.807 -7.248 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.974 -4.979 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.206 -5.844 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.430 -5.308 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.692 -5.518 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.410 -4.251 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.005 -6.714 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.536 -7.955 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.285 -7.076 -2.535 1.00 0.00 H new ATOM 800 N TRP A 55 -3.609 -4.498 -6.667 1.00 0.00 N ATOM 801 CA TRP A 55 -4.159 -3.168 -6.901 1.00 0.00 C ATOM 802 C TRP A 55 -3.737 -2.202 -5.799 1.00 0.00 C ATOM 803 O TRP A 55 -3.537 -2.603 -4.653 1.00 0.00 O ATOM 804 CB TRP A 55 -5.686 -3.232 -6.983 1.00 0.00 C ATOM 805 CG TRP A 55 -6.185 -4.213 -7.999 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.318 -5.563 -7.839 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.617 -3.921 -9.333 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.806 -6.127 -8.993 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.998 -5.141 -9.924 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.720 -2.747 -10.085 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.473 -5.218 -11.231 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.191 -2.826 -11.381 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.563 -4.054 -11.944 1.00 0.00 C ATOM 0 H TRP A 55 -4.291 -5.187 -6.349 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.766 -2.802 -7.849 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.084 -3.499 -6.004 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.072 -2.242 -7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.075 -6.107 -6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.995 -7.119 -9.134 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.436 -1.795 -9.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.760 -6.164 -11.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.274 -1.925 -11.971 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.928 -4.082 -12.960 1.00 0.00 H new ATOM 824 N SER A 56 -3.603 -0.928 -6.154 1.00 0.00 N ATOM 825 CA SER A 56 -3.201 0.094 -5.195 1.00 0.00 C ATOM 826 C SER A 56 -4.099 0.066 -3.962 1.00 0.00 C ATOM 827 O SER A 56 -3.673 0.417 -2.862 1.00 0.00 O ATOM 828 CB SER A 56 -3.249 1.479 -5.843 1.00 0.00 C ATOM 829 OG SER A 56 -3.631 2.469 -4.904 1.00 0.00 O ATOM 0 H SER A 56 -3.767 -0.579 -7.098 1.00 0.00 H new ATOM 0 HA SER A 56 -2.178 -0.118 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.271 1.724 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.954 1.471 -6.674 1.00 0.00 H new ATOM 0 HG SER A 56 -3.652 3.345 -5.343 1.00 0.00 H new ATOM 835 N ARG A 57 -5.345 -0.355 -4.155 1.00 0.00 N ATOM 836 CA ARG A 57 -6.305 -0.428 -3.060 1.00 0.00 C ATOM 837 C ARG A 57 -6.021 -1.634 -2.168 1.00 0.00 C ATOM 838 O ARG A 57 -6.011 -1.523 -0.942 1.00 0.00 O ATOM 839 CB ARG A 57 -7.731 -0.510 -3.608 1.00 0.00 C ATOM 840 CG ARG A 57 -8.715 0.392 -2.881 1.00 0.00 C ATOM 841 CD ARG A 57 -9.885 0.773 -3.775 1.00 0.00 C ATOM 842 NE ARG A 57 -9.515 1.786 -4.759 1.00 0.00 N ATOM 843 CZ ARG A 57 -9.285 3.058 -4.454 1.00 0.00 C ATOM 844 NH1 ARG A 57 -9.385 3.471 -3.198 1.00 0.00 N ATOM 845 NH2 ARG A 57 -8.952 3.921 -5.406 1.00 0.00 N ATOM 0 H ARG A 57 -5.713 -0.651 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.205 0.477 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.721 -0.245 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.078 -1.541 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.086 -0.115 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.204 1.294 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.252 -0.115 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.704 1.147 -3.160 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.428 1.501 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.639 2.811 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.208 4.449 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.872 3.608 -6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.776 4.898 -5.170 1.00 0.00 H new ATOM 859 N ASP A 58 -5.793 -2.784 -2.792 1.00 0.00 N ATOM 860 CA ASP A 58 -5.509 -4.010 -2.056 1.00 0.00 C ATOM 861 C ASP A 58 -4.246 -3.859 -1.215 1.00 0.00 C ATOM 862 O ASP A 58 -4.270 -4.049 0.001 1.00 0.00 O ATOM 863 CB ASP A 58 -5.355 -5.186 -3.022 1.00 0.00 C ATOM 864 CG ASP A 58 -6.667 -5.902 -3.276 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.333 -6.288 -2.292 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.029 -6.075 -4.458 1.00 0.00 O ATOM 0 H ASP A 58 -5.799 -2.893 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.348 -4.206 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.952 -4.825 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.631 -5.893 -2.617 1.00 0.00 H new ATOM 871 N VAL A 59 -3.142 -3.515 -1.870 1.00 0.00 N ATOM 872 CA VAL A 59 -1.868 -3.338 -1.183 1.00 0.00 C ATOM 873 C VAL A 59 -1.989 -2.316 -0.058 1.00 0.00 C ATOM 874 O VAL A 59 -1.223 -2.346 0.906 1.00 0.00 O ATOM 875 CB VAL A 59 -0.763 -2.885 -2.156 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.178 -1.615 -2.882 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.549 -2.681 -1.414 1.00 0.00 C ATOM 0 H VAL A 59 -3.104 -3.353 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.597 -4.307 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.615 -3.668 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.385 -1.310 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.092 -1.801 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.356 -0.822 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.318 -2.361 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.418 -1.918 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.852 -3.618 -0.946 1.00 0.00 H new ATOM 887 N ARG A 60 -2.955 -1.413 -0.187 1.00 0.00 N ATOM 888 CA ARG A 60 -3.175 -0.381 0.819 1.00 0.00 C ATOM 889 C ARG A 60 -3.851 -0.964 2.057 1.00 0.00 C ATOM 890 O ARG A 60 -3.494 -0.630 3.187 1.00 0.00 O ATOM 891 CB ARG A 60 -4.031 0.749 0.242 1.00 0.00 C ATOM 892 CG ARG A 60 -4.255 1.898 1.211 1.00 0.00 C ATOM 893 CD ARG A 60 -5.682 2.421 1.134 1.00 0.00 C ATOM 894 NE ARG A 60 -6.546 1.802 2.136 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.844 2.062 2.248 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.424 2.924 1.425 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.564 1.459 3.185 1.00 0.00 N ATOM 0 H ARG A 60 -3.598 -1.375 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.204 0.020 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.552 1.133 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.998 0.344 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.042 1.565 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.558 2.705 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.680 3.502 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.085 2.230 0.140 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.130 1.134 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.874 3.390 0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.421 3.122 1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.121 0.795 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.561 1.659 3.270 1.00 0.00 H new ATOM 911 N TYR A 61 -4.829 -1.835 1.835 1.00 0.00 N ATOM 912 CA TYR A 61 -5.557 -2.462 2.932 1.00 0.00 C ATOM 913 C TYR A 61 -4.630 -3.337 3.771 1.00 0.00 C ATOM 914 O TYR A 61 -4.596 -3.230 4.997 1.00 0.00 O ATOM 915 CB TYR A 61 -6.716 -3.300 2.390 1.00 0.00 C ATOM 916 CG TYR A 61 -8.017 -3.085 3.130 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.603 -1.828 3.193 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.659 -4.141 3.765 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.791 -1.627 3.869 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.848 -3.949 4.442 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.410 -2.691 4.491 1.00 0.00 C ATOM 922 OH TYR A 61 -11.594 -2.495 5.164 1.00 0.00 O ATOM 0 H TYR A 61 -5.136 -2.123 0.906 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.956 -1.672 3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.863 -3.062 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.447 -4.355 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.122 -0.993 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.222 -5.128 3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.232 -0.642 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.335 -4.780 4.930 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.899 -3.345 5.544 1.00 0.00 H new ATOM 932 N LYS A 62 -3.879 -4.204 3.100 1.00 0.00 N ATOM 933 CA LYS A 62 -2.949 -5.098 3.780 1.00 0.00 C ATOM 934 C LYS A 62 -1.825 -4.310 4.446 1.00 0.00 C ATOM 935 O LYS A 62 -1.293 -4.721 5.478 1.00 0.00 O ATOM 936 CB LYS A 62 -2.362 -6.106 2.790 1.00 0.00 C ATOM 937 CG LYS A 62 -3.414 -6.914 2.049 1.00 0.00 C ATOM 938 CD LYS A 62 -2.792 -8.069 1.282 1.00 0.00 C ATOM 939 CE LYS A 62 -3.587 -8.397 0.027 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.067 -9.613 -0.656 1.00 0.00 N ATOM 0 H LYS A 62 -3.896 -4.307 2.085 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.500 -5.635 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.747 -5.574 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.703 -6.789 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.145 -7.300 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.952 -6.265 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.767 -7.816 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.743 -8.949 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.634 -8.548 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.549 -7.551 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.635 -9.803 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.075 -9.460 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.127 -10.426 -0.010 1.00 0.00 H new ATOM 954 N SER A 63 -1.470 -3.177 3.850 1.00 0.00 N ATOM 955 CA SER A 63 -0.407 -2.333 4.385 1.00 0.00 C ATOM 956 C SER A 63 -0.919 -1.485 5.545 1.00 0.00 C ATOM 957 O SER A 63 -0.151 -1.074 6.414 1.00 0.00 O ATOM 958 CB SER A 63 0.155 -1.428 3.287 1.00 0.00 C ATOM 959 OG SER A 63 0.950 -2.167 2.375 1.00 0.00 O ATOM 0 H SER A 63 -1.902 -2.822 2.997 1.00 0.00 H new ATOM 0 HA SER A 63 0.387 -2.982 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.664 -0.947 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.753 -0.635 3.736 1.00 0.00 H new ATOM 0 HG SER A 63 0.448 -2.312 1.546 1.00 0.00 H new ATOM 965 N ASN A 64 -2.223 -1.227 5.552 1.00 0.00 N ATOM 966 CA ASN A 64 -2.839 -0.428 6.605 1.00 0.00 C ATOM 967 C ASN A 64 -2.292 0.996 6.597 1.00 0.00 C ATOM 968 O ASN A 64 -2.176 1.634 7.644 1.00 0.00 O ATOM 969 CB ASN A 64 -2.596 -1.072 7.971 1.00 0.00 C ATOM 970 CG ASN A 64 -3.670 -0.713 8.979 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.192 -1.719 9.671 1.00 0.00 O flip ATOM 972 ND2 ASN A 64 -4.027 0.455 9.133 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.873 -1.560 4.840 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.912 -0.388 6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.556 -2.155 7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.625 -0.756 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.598 1.197 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.752 0.681 9.814 1.00 0.00 H new ATOM 979 N LEU A 65 -1.959 1.489 5.409 1.00 0.00 N ATOM 980 CA LEU A 65 -1.425 2.839 5.263 1.00 0.00 C ATOM 981 C LEU A 65 -2.361 3.708 4.429 1.00 0.00 C ATOM 982 O LEU A 65 -2.986 3.249 3.473 1.00 0.00 O ATOM 983 CB LEU A 65 -0.040 2.794 4.616 1.00 0.00 C ATOM 984 CG LEU A 65 0.909 1.714 5.136 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.130 1.598 4.237 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.327 2.015 6.568 1.00 0.00 C ATOM 0 H LEU A 65 -2.049 0.974 4.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.340 3.279 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.167 2.652 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.436 3.765 4.755 1.00 0.00 H new ATOM 0 HG LEU A 65 0.382 0.760 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.794 0.824 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.815 1.335 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.658 2.551 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.002 1.236 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.835 2.979 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.444 2.046 7.206 1.00 0.00 H new ATOM 998 N PRO A 66 -2.459 4.994 4.797 1.00 0.00 N ATOM 999 CA PRO A 66 -3.314 5.955 4.094 1.00 0.00 C ATOM 1000 C PRO A 66 -2.787 6.291 2.703 1.00 0.00 C ATOM 1001 O PRO A 66 -1.603 6.107 2.415 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.273 7.192 4.994 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.983 7.081 5.731 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.743 5.610 5.927 1.00 0.00 C ATOM 0 HA PRO A 66 -4.318 5.563 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.316 8.110 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.120 7.211 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.170 7.537 5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.035 7.599 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.680 5.370 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.131 5.264 6.885 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.671 6.784 1.843 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.295 7.147 0.481 1.00 0.00 C ATOM 1014 C LEU A 67 -2.082 8.073 0.480 1.00 0.00 C ATOM 1015 O LEU A 67 -1.194 7.951 -0.365 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.468 7.823 -0.231 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.254 8.844 0.593 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.321 10.178 -0.134 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.654 8.325 0.889 1.00 0.00 C ATOM 0 H LEU A 67 -4.654 6.942 2.065 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.033 6.234 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.088 8.321 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.158 7.049 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.736 8.995 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.884 10.892 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.311 10.556 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.816 10.044 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.199 9.064 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.181 8.145 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.585 7.394 1.451 1.00 0.00 H new ATOM 1031 N THR A 68 -2.050 8.999 1.434 1.00 0.00 N ATOM 1032 CA THR A 68 -0.946 9.944 1.543 1.00 0.00 C ATOM 1033 C THR A 68 0.389 9.219 1.663 1.00 0.00 C ATOM 1034 O THR A 68 1.423 9.730 1.233 1.00 0.00 O ATOM 1035 CB THR A 68 -1.123 10.875 2.758 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.104 11.881 2.757 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.063 10.086 4.057 1.00 0.00 C ATOM 0 H THR A 68 -2.776 9.114 2.141 1.00 0.00 H new ATOM 0 HA THR A 68 -0.950 10.542 0.632 1.00 0.00 H new ATOM 0 HB THR A 68 -2.101 11.350 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.224 12.469 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.190 10.764 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.858 9.341 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.097 9.587 4.135 1.00 0.00 H new ATOM 1045 N GLU A 69 0.360 8.027 2.249 1.00 0.00 N ATOM 1046 CA GLU A 69 1.570 7.232 2.425 1.00 0.00 C ATOM 1047 C GLU A 69 1.830 6.360 1.200 1.00 0.00 C ATOM 1048 O GLU A 69 2.878 6.466 0.562 1.00 0.00 O ATOM 1049 CB GLU A 69 1.454 6.356 3.673 1.00 0.00 C ATOM 1050 CG GLU A 69 1.747 7.097 4.967 1.00 0.00 C ATOM 1051 CD GLU A 69 3.186 6.940 5.417 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.487 5.945 6.110 1.00 0.00 O ATOM 1053 OE2 GLU A 69 4.013 7.812 5.076 1.00 0.00 O ATOM 0 H GLU A 69 -0.488 7.590 2.610 1.00 0.00 H new ATOM 0 HA GLU A 69 2.410 7.916 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.448 5.940 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.142 5.516 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.526 8.156 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.083 6.730 5.750 1.00 0.00 H new ATOM 1060 N ILE A 70 0.871 5.500 0.879 1.00 0.00 N ATOM 1061 CA ILE A 70 0.996 4.610 -0.269 1.00 0.00 C ATOM 1062 C ILE A 70 1.357 5.388 -1.530 1.00 0.00 C ATOM 1063 O ILE A 70 2.083 4.891 -2.391 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.306 3.826 -0.519 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.679 3.007 0.719 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.156 2.923 -1.733 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.343 1.949 1.073 1.00 0.00 C ATOM 0 H ILE A 70 -0.002 5.400 1.397 1.00 0.00 H new ATOM 0 HA ILE A 70 1.795 3.906 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.109 4.537 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.802 3.681 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.643 2.528 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.084 2.376 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.068 3.528 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.656 2.216 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.014 1.408 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.449 1.253 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.304 2.424 1.273 1.00 0.00 H new ATOM 1079 N ASN A 71 0.847 6.611 -1.631 1.00 0.00 N ATOM 1080 CA ASN A 71 1.117 7.459 -2.787 1.00 0.00 C ATOM 1081 C ASN A 71 2.614 7.710 -2.939 1.00 0.00 C ATOM 1082 O ASN A 71 3.129 7.811 -4.053 1.00 0.00 O ATOM 1083 CB ASN A 71 0.376 8.790 -2.654 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.065 8.699 -3.120 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.444 7.760 -3.820 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.875 9.677 -2.733 1.00 0.00 N ATOM 0 H ASN A 71 0.245 7.037 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 71 0.761 6.941 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.399 9.113 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.896 9.552 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.855 9.670 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.517 10.436 -2.153 1.00 0.00 H new ATOM 1093 N LYS A 72 3.309 7.811 -1.811 1.00 0.00 N ATOM 1094 CA LYS A 72 4.748 8.050 -1.816 1.00 0.00 C ATOM 1095 C LYS A 72 5.516 6.739 -1.953 1.00 0.00 C ATOM 1096 O LYS A 72 6.544 6.679 -2.628 1.00 0.00 O ATOM 1097 CB LYS A 72 5.171 8.770 -0.534 1.00 0.00 C ATOM 1098 CG LYS A 72 6.673 8.957 -0.409 1.00 0.00 C ATOM 1099 CD LYS A 72 7.049 9.569 0.930 1.00 0.00 C ATOM 1100 CE LYS A 72 6.815 11.072 0.941 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.069 11.830 0.677 1.00 0.00 N ATOM 0 H LYS A 72 2.899 7.731 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 72 4.984 8.680 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.688 9.746 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.811 8.205 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.171 7.994 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.029 9.598 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.463 9.103 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.097 9.361 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.070 11.329 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.408 11.369 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.868 12.850 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.772 11.604 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.445 11.566 -0.256 1.00 0.00 H new ATOM 1115 N ILE A 73 5.010 5.692 -1.310 1.00 0.00 N ATOM 1116 CA ILE A 73 5.648 4.382 -1.363 1.00 0.00 C ATOM 1117 C ILE A 73 5.607 3.808 -2.775 1.00 0.00 C ATOM 1118 O ILE A 73 6.646 3.512 -3.367 1.00 0.00 O ATOM 1119 CB ILE A 73 4.975 3.389 -0.397 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.019 3.927 1.034 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.653 2.030 -0.479 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.297 3.049 2.032 1.00 0.00 C ATOM 0 H ILE A 73 4.160 5.725 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 73 6.686 4.523 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 73 3.931 3.271 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.059 4.033 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.578 4.923 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.167 1.339 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.575 1.645 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.704 2.131 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.369 3.492 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.248 2.963 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.753 2.059 2.042 1.00 0.00 H new ATOM 1134 N LEU A 74 4.401 3.654 -3.311 1.00 0.00 N ATOM 1135 CA LEU A 74 4.224 3.117 -4.656 1.00 0.00 C ATOM 1136 C LEU A 74 5.082 3.876 -5.663 1.00 0.00 C ATOM 1137 O LEU A 74 5.556 3.306 -6.646 1.00 0.00 O ATOM 1138 CB LEU A 74 2.752 3.190 -5.065 1.00 0.00 C ATOM 1139 CG LEU A 74 1.838 2.114 -4.478 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.403 2.325 -4.936 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.326 0.727 -4.869 1.00 0.00 C ATOM 0 H LEU A 74 3.531 3.893 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 74 4.542 2.074 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.363 4.166 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.694 3.134 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 74 1.867 2.194 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.233 1.550 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.055 3.303 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.357 2.273 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.663 -0.026 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.328 0.635 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.337 0.577 -4.490 1.00 0.00 H new ATOM 1153 N LYS A 75 5.280 5.165 -5.410 1.00 0.00 N ATOM 1154 CA LYS A 75 6.084 6.003 -6.292 1.00 0.00 C ATOM 1155 C LYS A 75 7.572 5.816 -6.013 1.00 0.00 C ATOM 1156 O LYS A 75 8.398 5.890 -6.922 1.00 0.00 O ATOM 1157 CB LYS A 75 5.704 7.475 -6.118 1.00 0.00 C ATOM 1158 CG LYS A 75 4.942 8.050 -7.299 1.00 0.00 C ATOM 1159 CD LYS A 75 3.643 7.300 -7.543 1.00 0.00 C ATOM 1160 CE LYS A 75 2.587 8.202 -8.165 1.00 0.00 C ATOM 1161 NZ LYS A 75 2.855 8.457 -9.607 1.00 0.00 N ATOM 0 H LYS A 75 4.895 5.652 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 75 5.884 5.701 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.097 7.581 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.611 8.060 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.727 9.103 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.564 8.002 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.830 6.450 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.271 6.899 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.605 7.742 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.557 9.150 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.114 9.075 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.781 8.919 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.858 7.555 -10.124 1.00 0.00 H new ATOM 1175 N ASN A 76 7.907 5.571 -4.750 1.00 0.00 N ATOM 1176 CA ASN A 76 9.296 5.372 -4.353 1.00 0.00 C ATOM 1177 C ASN A 76 9.901 4.170 -5.072 1.00 0.00 C ATOM 1178 O ASN A 76 10.858 4.307 -5.835 1.00 0.00 O ATOM 1179 CB ASN A 76 9.391 5.175 -2.838 1.00 0.00 C ATOM 1180 CG ASN A 76 10.417 6.091 -2.199 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.616 5.967 -2.448 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.948 7.017 -1.371 1.00 0.00 N ATOM 0 H ASN A 76 7.236 5.506 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 76 9.859 6.262 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.415 5.358 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.651 4.138 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.590 7.663 -0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.946 7.083 -1.194 1.00 0.00 H new ATOM 1189 N LEU A 77 9.335 2.994 -4.825 1.00 0.00 N ATOM 1190 CA LEU A 77 9.818 1.767 -5.450 1.00 0.00 C ATOM 1191 C LEU A 77 9.910 1.926 -6.964 1.00 0.00 C ATOM 1192 O LEU A 77 10.805 1.373 -7.602 1.00 0.00 O ATOM 1193 CB LEU A 77 8.894 0.598 -5.104 1.00 0.00 C ATOM 1194 CG LEU A 77 9.127 -0.063 -3.745 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.932 -0.920 -3.357 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.398 -0.898 -3.769 1.00 0.00 C ATOM 0 H LEU A 77 8.542 2.864 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 77 10.816 1.561 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.864 0.952 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.998 -0.162 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 77 9.245 0.721 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.116 -1.383 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.040 -0.296 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.782 -1.697 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.548 -1.361 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.309 -1.674 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.249 -0.258 -4.002 1.00 0.00 H new ATOM 1208 N GLU A 78 8.981 2.689 -7.531 1.00 0.00 N ATOM 1209 CA GLU A 78 8.959 2.922 -8.971 1.00 0.00 C ATOM 1210 C GLU A 78 10.256 3.580 -9.435 1.00 0.00 C ATOM 1211 O GLU A 78 10.953 3.057 -10.303 1.00 0.00 O ATOM 1212 CB GLU A 78 7.765 3.800 -9.350 1.00 0.00 C ATOM 1213 CG GLU A 78 7.117 3.410 -10.667 1.00 0.00 C ATOM 1214 CD GLU A 78 7.119 4.543 -11.676 1.00 0.00 C ATOM 1215 OE1 GLU A 78 6.894 5.702 -11.268 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.345 4.270 -12.873 1.00 0.00 O ATOM 0 H GLU A 78 8.234 3.156 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 78 8.863 1.957 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.019 3.746 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.092 4.838 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.644 2.553 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.090 3.094 -10.483 1.00 0.00 H new ATOM 1223 N SER A 79 10.571 4.731 -8.849 1.00 0.00 N ATOM 1224 CA SER A 79 11.781 5.463 -9.204 1.00 0.00 C ATOM 1225 C SER A 79 13.018 4.591 -9.017 1.00 0.00 C ATOM 1226 O SER A 79 13.976 4.678 -9.786 1.00 0.00 O ATOM 1227 CB SER A 79 11.903 6.730 -8.356 1.00 0.00 C ATOM 1228 OG SER A 79 11.894 7.891 -9.168 1.00 0.00 O ATOM 0 H SER A 79 10.005 5.176 -8.127 1.00 0.00 H new ATOM 0 HA SER A 79 11.711 5.743 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.080 6.775 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.825 6.695 -7.776 1.00 0.00 H new ATOM 0 HG SER A 79 11.971 8.687 -8.602 1.00 0.00 H new ATOM 1234 N LYS A 80 12.992 3.750 -7.989 1.00 0.00 N ATOM 1235 CA LYS A 80 14.109 2.859 -7.700 1.00 0.00 C ATOM 1236 C LYS A 80 14.251 1.793 -8.782 1.00 0.00 C ATOM 1237 O LYS A 80 15.262 1.094 -8.851 1.00 0.00 O ATOM 1238 CB LYS A 80 13.918 2.194 -6.335 1.00 0.00 C ATOM 1239 CG LYS A 80 13.516 3.163 -5.237 1.00 0.00 C ATOM 1240 CD LYS A 80 14.414 3.028 -4.018 1.00 0.00 C ATOM 1241 CE LYS A 80 14.008 3.996 -2.917 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.687 5.314 -3.059 1.00 0.00 N ATOM 0 H LYS A 80 12.208 3.667 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 80 15.021 3.456 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.156 1.419 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.846 1.698 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.566 4.184 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.481 2.980 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.367 2.006 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.449 3.215 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.928 4.140 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.252 3.565 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.384 5.945 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.717 5.181 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.434 5.738 -3.975 1.00 0.00 H new ATOM 1256 N LYS A 81 13.231 1.675 -9.626 1.00 0.00 N ATOM 1257 CA LYS A 81 13.242 0.696 -10.706 1.00 0.00 C ATOM 1258 C LYS A 81 13.280 -0.725 -10.154 1.00 0.00 C ATOM 1259 O LYS A 81 13.887 -1.617 -10.748 1.00 0.00 O ATOM 1260 CB LYS A 81 14.445 0.931 -11.623 1.00 0.00 C ATOM 1261 CG LYS A 81 14.222 0.465 -13.051 1.00 0.00 C ATOM 1262 CD LYS A 81 15.390 0.839 -13.948 1.00 0.00 C ATOM 1263 CE LYS A 81 15.886 -0.358 -14.745 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.126 -0.042 -15.507 1.00 0.00 N ATOM 0 H LYS A 81 12.387 2.245 -9.582 1.00 0.00 H new ATOM 0 HA LYS A 81 12.324 0.818 -11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.683 1.995 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.311 0.413 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.083 -0.616 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.306 0.909 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.086 1.632 -14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.204 1.236 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.078 -1.191 -14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.108 -0.682 -15.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.432 -0.883 -16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.937 0.736 -16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.877 0.243 -14.846 1.00 0.00 H new ATOM 1278 N LEU A 82 12.628 -0.929 -9.015 1.00 0.00 N ATOM 1279 CA LEU A 82 12.586 -2.243 -8.382 1.00 0.00 C ATOM 1280 C LEU A 82 11.279 -2.961 -8.704 1.00 0.00 C ATOM 1281 O LEU A 82 11.217 -4.191 -8.697 1.00 0.00 O ATOM 1282 CB LEU A 82 12.747 -2.107 -6.867 1.00 0.00 C ATOM 1283 CG LEU A 82 14.151 -1.765 -6.369 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.148 -1.559 -4.862 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.135 -2.859 -6.758 1.00 0.00 C ATOM 0 H LEU A 82 12.121 -0.202 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 82 13.411 -2.836 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.061 -1.336 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.437 -3.044 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 82 14.467 -0.835 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.156 -1.316 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.474 -0.741 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.812 -2.472 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.130 -2.599 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.822 -3.804 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.159 -2.958 -7.843 1.00 0.00 H new ATOM 1297 N ILE A 83 10.238 -2.185 -8.986 1.00 0.00 N ATOM 1298 CA ILE A 83 8.934 -2.747 -9.314 1.00 0.00 C ATOM 1299 C ILE A 83 8.470 -2.294 -10.694 1.00 0.00 C ATOM 1300 O ILE A 83 9.073 -1.410 -11.305 1.00 0.00 O ATOM 1301 CB ILE A 83 7.871 -2.349 -8.272 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.770 -0.826 -8.171 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.206 -2.954 -6.917 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.691 -0.353 -7.222 1.00 0.00 C ATOM 0 H ILE A 83 10.272 -1.166 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 83 9.049 -3.831 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 83 6.905 -2.738 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.730 -0.427 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.576 -0.416 -9.162 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.446 -2.664 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.233 -4.040 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.180 -2.591 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.677 0.737 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.722 -0.722 -7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.895 -0.733 -6.221 1.00 0.00 H new ATOM 1316 N LYS A 84 7.395 -2.904 -11.181 1.00 0.00 N ATOM 1317 CA LYS A 84 6.847 -2.562 -12.489 1.00 0.00 C ATOM 1318 C LYS A 84 5.354 -2.265 -12.392 1.00 0.00 C ATOM 1319 O LYS A 84 4.603 -3.010 -11.765 1.00 0.00 O ATOM 1320 CB LYS A 84 7.088 -3.703 -13.480 1.00 0.00 C ATOM 1321 CG LYS A 84 6.222 -4.924 -13.223 1.00 0.00 C ATOM 1322 CD LYS A 84 6.491 -6.022 -14.238 1.00 0.00 C ATOM 1323 CE LYS A 84 5.197 -6.604 -14.786 1.00 0.00 C ATOM 1324 NZ LYS A 84 5.392 -7.225 -16.125 1.00 0.00 N ATOM 0 H LYS A 84 6.885 -3.638 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 84 7.355 -1.666 -12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.900 -3.341 -14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.137 -3.996 -13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.413 -5.301 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.170 -4.640 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.087 -5.622 -15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.079 -6.813 -13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.812 -7.351 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.446 -5.817 -14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.487 -7.610 -16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.735 -6.507 -16.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.090 -7.993 -16.053 1.00 0.00 H new ATOM 1338 N ALA A 85 4.931 -1.172 -13.019 1.00 0.00 N ATOM 1339 CA ALA A 85 3.528 -0.779 -13.007 1.00 0.00 C ATOM 1340 C ALA A 85 2.788 -1.348 -14.212 1.00 0.00 C ATOM 1341 O ALA A 85 3.316 -1.371 -15.324 1.00 0.00 O ATOM 1342 CB ALA A 85 3.405 0.738 -12.977 1.00 0.00 C ATOM 0 H ALA A 85 5.541 -0.543 -13.542 1.00 0.00 H new ATOM 0 HA ALA A 85 3.070 -1.188 -12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.351 1.018 -12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.890 1.125 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.885 1.159 -13.860 1.00 0.00 H new ATOM 1348 N VAL A 86 1.561 -1.807 -13.985 1.00 0.00 N ATOM 1349 CA VAL A 86 0.748 -2.376 -15.053 1.00 0.00 C ATOM 1350 C VAL A 86 -0.648 -1.763 -15.067 1.00 0.00 C ATOM 1351 O VAL A 86 -1.416 -1.917 -14.117 1.00 0.00 O ATOM 1352 CB VAL A 86 0.623 -3.905 -14.910 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.915 -4.588 -15.335 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.258 -4.278 -13.482 1.00 0.00 C ATOM 0 H VAL A 86 1.109 -1.796 -13.071 1.00 0.00 H new ATOM 0 HA VAL A 86 1.253 -2.146 -15.991 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.176 -4.250 -15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.808 -5.667 -15.227 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.129 -4.347 -16.376 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.734 -4.240 -14.706 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.174 -5.362 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.033 -3.921 -12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.695 -3.819 -13.218 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.971 -1.067 -16.151 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.276 -0.430 -16.292 1.00 0.00 C ATOM 1366 C LYS A 87 -3.244 -1.336 -17.046 1.00 0.00 C ATOM 1367 O LYS A 87 -2.876 -1.964 -18.039 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.138 0.907 -17.022 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.005 1.773 -16.497 1.00 0.00 C ATOM 1370 CD LYS A 87 0.219 1.694 -17.394 1.00 0.00 C ATOM 1371 CE LYS A 87 1.456 1.275 -16.614 1.00 0.00 C ATOM 1372 NZ LYS A 87 2.136 2.441 -15.985 1.00 0.00 N ATOM 0 H LYS A 87 -0.347 -0.929 -16.946 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.675 -0.251 -15.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.977 0.717 -18.083 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.075 1.457 -16.935 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.339 2.808 -16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.740 1.455 -15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.036 0.982 -18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.393 2.664 -17.860 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.173 0.559 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.151 0.766 -17.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.051 2.140 -15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.292 3.179 -16.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.541 2.820 -15.221 1.00 0.00 H new