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= -0.281 K(o=0.062,f=-5.3!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 135:sc= 0.343 (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= -0.426 X(o=-0.43,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.5) 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+ -158:sc= -0.0199 (180deg=-0.199) USER MOD Single : A 63 SER OG : rot 110:sc= 0.165 USER MOD Single : A 64 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.1) 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= -0.0377 (180deg=-0.0377) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.558 0.896 -10.086 1.00 0.00 N ATOM 230 CA LEU A 19 -4.482 0.439 -10.959 1.00 0.00 C ATOM 231 C LEU A 19 -3.810 -0.806 -10.389 1.00 0.00 C ATOM 232 O LEU A 19 -3.845 -1.045 -9.181 1.00 0.00 O ATOM 233 CB LEU A 19 -3.447 1.549 -11.151 1.00 0.00 C ATOM 234 CG LEU A 19 -3.570 2.366 -12.437 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.597 3.854 -12.124 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.426 2.040 -13.387 1.00 0.00 C ATOM 0 HA LEU A 19 -4.916 0.185 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.514 2.231 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.454 1.101 -11.122 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.508 2.101 -12.925 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.685 4.419 -13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.450 4.075 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.676 4.135 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.529 2.631 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.476 2.276 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.452 0.980 -13.638 1.00 0.00 H new ATOM 248 N LEU A 20 -3.197 -1.594 -11.264 1.00 0.00 N ATOM 249 CA LEU A 20 -2.514 -2.814 -10.848 1.00 0.00 C ATOM 250 C LEU A 20 -1.016 -2.573 -10.690 1.00 0.00 C ATOM 251 O LEU A 20 -0.442 -1.712 -11.357 1.00 0.00 O ATOM 252 CB LEU A 20 -2.758 -3.931 -11.865 1.00 0.00 C ATOM 253 CG LEU A 20 -2.405 -5.346 -11.405 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.149 -5.692 -10.124 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.722 -6.356 -12.498 1.00 0.00 C ATOM 0 H LEU A 20 -3.159 -1.410 -12.267 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.919 -3.116 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.811 -3.914 -12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.183 -3.709 -12.764 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.335 -5.385 -11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.885 -6.703 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.872 -4.986 -9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.223 -5.635 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.465 -7.358 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.785 -6.315 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.143 -6.119 -13.391 1.00 0.00 H new ATOM 267 N TYR A 21 -0.389 -3.339 -9.804 1.00 0.00 N ATOM 268 CA TYR A 21 1.042 -3.208 -9.558 1.00 0.00 C ATOM 269 C TYR A 21 1.704 -4.579 -9.452 1.00 0.00 C ATOM 270 O TYR A 21 1.119 -5.524 -8.923 1.00 0.00 O ATOM 271 CB TYR A 21 1.289 -2.410 -8.277 1.00 0.00 C ATOM 272 CG TYR A 21 1.424 -0.922 -8.507 1.00 0.00 C ATOM 273 CD1 TYR A 21 2.662 -0.350 -8.775 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.315 -0.087 -8.457 1.00 0.00 C ATOM 275 CE1 TYR A 21 2.791 1.009 -8.985 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.434 1.273 -8.668 1.00 0.00 C ATOM 277 CZ TYR A 21 1.673 1.816 -8.932 1.00 0.00 C ATOM 278 OH TYR A 21 1.796 3.171 -9.141 1.00 0.00 O ATOM 0 H TYR A 21 -0.849 -4.057 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 21 1.483 -2.676 -10.401 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.467 -2.589 -7.583 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.196 -2.779 -7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.539 -0.979 -8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.657 -0.509 -8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.761 1.437 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.439 1.907 -8.626 1.00 0.00 H new ATOM 0 HH TYR A 21 0.915 3.594 -9.070 1.00 0.00 H new ATOM 288 N ARG A 22 2.928 -4.678 -9.959 1.00 0.00 N ATOM 289 CA ARG A 22 3.671 -5.932 -9.923 1.00 0.00 C ATOM 290 C ARG A 22 5.159 -5.676 -9.703 1.00 0.00 C ATOM 291 O ARG A 22 5.710 -4.692 -10.198 1.00 0.00 O ATOM 292 CB ARG A 22 3.463 -6.710 -11.224 1.00 0.00 C ATOM 293 CG ARG A 22 2.058 -7.268 -11.382 1.00 0.00 C ATOM 294 CD ARG A 22 1.763 -7.630 -12.829 1.00 0.00 C ATOM 295 NE ARG A 22 2.788 -8.503 -13.395 1.00 0.00 N ATOM 296 CZ ARG A 22 2.695 -9.061 -14.597 1.00 0.00 C ATOM 297 NH1 ARG A 22 1.631 -8.838 -15.355 1.00 0.00 N ATOM 298 NH2 ARG A 22 3.670 -9.844 -15.043 1.00 0.00 N ATOM 0 H ARG A 22 3.427 -3.905 -10.400 1.00 0.00 H new ATOM 0 HA ARG A 22 3.295 -6.525 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.682 -6.056 -12.068 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.178 -7.532 -11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.943 -8.151 -10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.332 -6.533 -11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.793 -8.124 -12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.694 -6.719 -13.424 1.00 0.00 H new ATOM 0 HE ARG A 22 3.620 -8.695 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.880 -8.236 -15.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.563 -9.268 -16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.491 -10.017 -14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.598 -10.272 -15.966 1.00 0.00 H new ATOM 312 N ILE A 23 5.803 -6.567 -8.957 1.00 0.00 N ATOM 313 CA ILE A 23 7.227 -6.438 -8.672 1.00 0.00 C ATOM 314 C ILE A 23 8.068 -6.841 -9.879 1.00 0.00 C ATOM 315 O ILE A 23 7.624 -7.613 -10.729 1.00 0.00 O ATOM 316 CB ILE A 23 7.639 -7.298 -7.463 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.274 -8.764 -7.704 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.975 -6.782 -6.195 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.206 -9.739 -7.019 1.00 0.00 C ATOM 0 H ILE A 23 5.362 -7.386 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 23 7.409 -5.389 -8.440 1.00 0.00 H new ATOM 0 HB ILE A 23 8.720 -7.229 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.257 -8.939 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.280 -8.960 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.276 -7.400 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.281 -5.751 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.892 -6.825 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.887 -10.759 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.221 -9.591 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.182 -9.570 -5.942 1.00 0.00 H new ATOM 331 N LYS A 24 9.286 -6.315 -9.946 1.00 0.00 N ATOM 332 CA LYS A 24 10.193 -6.622 -11.046 1.00 0.00 C ATOM 333 C LYS A 24 11.292 -7.578 -10.595 1.00 0.00 C ATOM 334 O LYS A 24 12.092 -7.250 -9.719 1.00 0.00 O ATOM 335 CB LYS A 24 10.815 -5.336 -11.595 1.00 0.00 C ATOM 336 CG LYS A 24 10.737 -5.220 -13.108 1.00 0.00 C ATOM 337 CD LYS A 24 12.084 -4.858 -13.709 1.00 0.00 C ATOM 338 CE LYS A 24 11.925 -4.033 -14.977 1.00 0.00 C ATOM 339 NZ LYS A 24 12.678 -4.621 -16.120 1.00 0.00 N ATOM 0 H LYS A 24 9.668 -5.674 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 24 9.617 -7.106 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.312 -4.479 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.860 -5.288 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.392 -6.164 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.001 -4.462 -13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.670 -4.298 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.640 -5.768 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.868 -3.964 -15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.276 -3.017 -14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.544 -4.030 -16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.690 -4.663 -15.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.326 -5.581 -16.310 1.00 0.00 H new ATOM 583 N LEU A 41 7.273 -3.406 3.818 1.00 0.00 N ATOM 584 CA LEU A 41 5.903 -3.805 4.120 1.00 0.00 C ATOM 585 C LEU A 41 5.027 -3.729 2.874 1.00 0.00 C ATOM 586 O LEU A 41 4.024 -4.435 2.762 1.00 0.00 O ATOM 587 CB LEU A 41 5.323 -2.916 5.221 1.00 0.00 C ATOM 588 CG LEU A 41 3.848 -3.139 5.556 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.656 -4.474 6.258 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.318 -2.001 6.416 1.00 0.00 C ATOM 0 HA LEU A 41 5.919 -4.838 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.908 -3.067 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.455 -1.875 4.927 1.00 0.00 H new ATOM 0 HG LEU A 41 3.283 -3.157 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.600 -4.615 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.996 -5.280 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.234 -4.486 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.267 -2.177 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.888 -1.951 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.419 -1.059 5.876 1.00 0.00 H new ATOM 602 N VAL A 42 5.412 -2.868 1.937 1.00 0.00 N ATOM 603 CA VAL A 42 4.664 -2.701 0.697 1.00 0.00 C ATOM 604 C VAL A 42 5.198 -3.622 -0.395 1.00 0.00 C ATOM 605 O VAL A 42 4.431 -4.303 -1.077 1.00 0.00 O ATOM 606 CB VAL A 42 4.721 -1.245 0.199 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.960 -1.099 -1.111 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.168 -0.299 1.254 1.00 0.00 C ATOM 0 H VAL A 42 6.238 -2.275 2.014 1.00 0.00 H new ATOM 0 HA VAL A 42 3.628 -2.962 0.914 1.00 0.00 H new ATOM 0 HB VAL A 42 5.763 -0.982 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.011 -0.064 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.405 -1.748 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.918 -1.380 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.216 0.726 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.131 -0.559 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.760 -0.385 2.165 1.00 0.00 H new ATOM 618 N TYR A 43 6.516 -3.638 -0.555 1.00 0.00 N ATOM 619 CA TYR A 43 7.153 -4.474 -1.566 1.00 0.00 C ATOM 620 C TYR A 43 6.852 -5.949 -1.322 1.00 0.00 C ATOM 621 O TYR A 43 6.811 -6.748 -2.257 1.00 0.00 O ATOM 622 CB TYR A 43 8.665 -4.244 -1.568 1.00 0.00 C ATOM 623 CG TYR A 43 9.396 -5.032 -2.632 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.759 -6.356 -2.417 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.722 -4.453 -3.852 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.427 -7.080 -3.386 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.388 -5.170 -4.828 1.00 0.00 C ATOM 628 CZ TYR A 43 10.739 -6.482 -4.589 1.00 0.00 C ATOM 629 OH TYR A 43 11.403 -7.200 -5.557 1.00 0.00 O ATOM 0 H TYR A 43 7.165 -3.082 0.002 1.00 0.00 H new ATOM 0 HA TYR A 43 6.748 -4.196 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.862 -3.182 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.066 -4.511 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.515 -6.827 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.450 -3.425 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.703 -8.108 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.632 -4.706 -5.772 1.00 0.00 H new ATOM 0 HH TYR A 43 11.546 -6.634 -6.344 1.00 0.00 H new ATOM 639 N GLN A 44 6.641 -6.302 -0.058 1.00 0.00 N ATOM 640 CA GLN A 44 6.343 -7.681 0.311 1.00 0.00 C ATOM 641 C GLN A 44 4.980 -8.106 -0.226 1.00 0.00 C ATOM 642 O GLN A 44 4.834 -9.195 -0.781 1.00 0.00 O ATOM 643 CB GLN A 44 6.379 -7.844 1.831 1.00 0.00 C ATOM 644 CG GLN A 44 7.784 -7.973 2.396 1.00 0.00 C ATOM 645 CD GLN A 44 8.513 -9.196 1.875 1.00 0.00 C ATOM 646 OE1 GLN A 44 9.664 -9.111 1.445 1.00 0.00 O ATOM 647 NE2 GLN A 44 7.845 -10.343 1.910 1.00 0.00 N ATOM 0 H GLN A 44 6.671 -5.652 0.728 1.00 0.00 H new ATOM 0 HA GLN A 44 7.104 -8.322 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.888 -6.987 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.803 -8.727 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.356 -7.080 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.731 -8.022 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.893 -10.368 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.284 -11.199 1.572 1.00 0.00 H new ATOM 656 N ILE A 45 3.987 -7.240 -0.057 1.00 0.00 N ATOM 657 CA ILE A 45 2.637 -7.526 -0.525 1.00 0.00 C ATOM 658 C ILE A 45 2.596 -7.643 -2.045 1.00 0.00 C ATOM 659 O ILE A 45 1.991 -8.567 -2.590 1.00 0.00 O ATOM 660 CB ILE A 45 1.644 -6.436 -0.079 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.637 -6.315 1.446 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.248 -6.748 -0.597 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.951 -5.065 1.950 1.00 0.00 C ATOM 0 H ILE A 45 4.092 -6.334 0.401 1.00 0.00 H new ATOM 0 HA ILE A 45 2.344 -8.477 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 45 1.962 -5.482 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.140 -7.188 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.665 -6.326 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.443 -5.969 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.265 -6.789 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.080 -7.710 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.984 -5.046 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.461 -4.186 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.087 -5.061 1.618 1.00 0.00 H new ATOM 675 N ILE A 46 3.244 -6.703 -2.724 1.00 0.00 N ATOM 676 CA ILE A 46 3.284 -6.703 -4.181 1.00 0.00 C ATOM 677 C ILE A 46 4.029 -7.924 -4.710 1.00 0.00 C ATOM 678 O ILE A 46 3.692 -8.459 -5.766 1.00 0.00 O ATOM 679 CB ILE A 46 3.956 -5.429 -4.726 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.276 -4.183 -4.156 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.911 -5.416 -6.246 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.989 -2.894 -4.499 1.00 0.00 C ATOM 0 H ILE A 46 3.749 -5.931 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 46 2.250 -6.734 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 46 5.000 -5.424 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.254 -4.134 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.214 -4.277 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.390 -4.510 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.437 -6.288 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.874 -5.441 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.451 -2.053 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.003 -2.922 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.028 -2.777 -5.582 1.00 0.00 H new ATOM 694 N GLU A 47 5.042 -8.360 -3.968 1.00 0.00 N ATOM 695 CA GLU A 47 5.834 -9.519 -4.363 1.00 0.00 C ATOM 696 C GLU A 47 4.990 -10.791 -4.331 1.00 0.00 C ATOM 697 O GLU A 47 5.166 -11.685 -5.159 1.00 0.00 O ATOM 698 CB GLU A 47 7.045 -9.675 -3.441 1.00 0.00 C ATOM 699 CG GLU A 47 8.071 -10.675 -3.948 1.00 0.00 C ATOM 700 CD GLU A 47 8.438 -11.713 -2.905 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.731 -12.738 -2.815 1.00 0.00 O ATOM 702 OE2 GLU A 47 9.432 -11.500 -2.180 1.00 0.00 O ATOM 0 H GLU A 47 5.333 -7.929 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 47 6.181 -9.359 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.526 -8.704 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.702 -9.987 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.678 -11.177 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.970 -10.142 -4.257 1.00 0.00 H new ATOM 709 N ASP A 48 4.076 -10.863 -3.371 1.00 0.00 N ATOM 710 CA ASP A 48 3.204 -12.024 -3.231 1.00 0.00 C ATOM 711 C ASP A 48 2.257 -12.140 -4.421 1.00 0.00 C ATOM 712 O ASP A 48 1.815 -13.233 -4.771 1.00 0.00 O ATOM 713 CB ASP A 48 2.402 -11.932 -1.932 1.00 0.00 C ATOM 714 CG ASP A 48 2.043 -13.296 -1.376 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.591 -14.156 -2.160 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.212 -13.503 -0.156 1.00 0.00 O ATOM 0 H ASP A 48 3.919 -10.132 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 48 3.830 -12.916 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.980 -11.381 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.489 -11.364 -2.111 1.00 0.00 H new ATOM 721 N ALA A 49 1.950 -11.004 -5.039 1.00 0.00 N ATOM 722 CA ALA A 49 1.057 -10.978 -6.190 1.00 0.00 C ATOM 723 C ALA A 49 1.741 -11.546 -7.429 1.00 0.00 C ATOM 724 O ALA A 49 1.099 -12.164 -8.277 1.00 0.00 O ATOM 725 CB ALA A 49 0.577 -9.558 -6.454 1.00 0.00 C ATOM 0 H ALA A 49 2.307 -10.090 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 49 0.195 -11.605 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.089 -9.554 -7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.042 -9.186 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.434 -8.915 -6.655 1.00 0.00 H new ATOM 731 N GLY A 50 3.050 -11.331 -7.528 1.00 0.00 N ATOM 732 CA GLY A 50 3.799 -11.828 -8.667 1.00 0.00 C ATOM 733 C GLY A 50 3.188 -11.409 -9.990 1.00 0.00 C ATOM 734 O GLY A 50 3.135 -10.222 -10.308 1.00 0.00 O ATOM 0 H GLY A 50 3.604 -10.822 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.824 -11.462 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.846 -12.916 -8.620 1.00 0.00 H new ATOM 738 N ASN A 51 2.727 -12.387 -10.763 1.00 0.00 N ATOM 739 CA ASN A 51 2.120 -12.114 -12.060 1.00 0.00 C ATOM 740 C ASN A 51 0.718 -11.534 -11.893 1.00 0.00 C ATOM 741 O ASN A 51 0.334 -10.597 -12.593 1.00 0.00 O ATOM 742 CB ASN A 51 2.058 -13.393 -12.897 1.00 0.00 C ATOM 743 CG ASN A 51 1.396 -13.171 -14.244 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.185 -12.965 -14.326 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.191 -13.213 -15.307 1.00 0.00 N ATOM 0 H ASN A 51 2.762 -13.375 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 51 2.739 -11.380 -12.576 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.068 -13.773 -13.050 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.509 -14.158 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.803 -13.071 -16.240 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.189 -13.387 -15.191 1.00 0.00 H new ATOM 752 N LYS A 52 -0.041 -12.097 -10.959 1.00 0.00 N ATOM 753 CA LYS A 52 -1.400 -11.636 -10.697 1.00 0.00 C ATOM 754 C LYS A 52 -1.417 -10.142 -10.389 1.00 0.00 C ATOM 755 O LYS A 52 -2.365 -9.438 -10.736 1.00 0.00 O ATOM 756 CB LYS A 52 -2.008 -12.415 -9.529 1.00 0.00 C ATOM 757 CG LYS A 52 -1.874 -13.922 -9.667 1.00 0.00 C ATOM 758 CD LYS A 52 -3.232 -14.603 -9.694 1.00 0.00 C ATOM 759 CE LYS A 52 -3.171 -15.993 -9.081 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.500 -16.665 -9.095 1.00 0.00 N ATOM 0 H LYS A 52 0.262 -12.873 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.996 -11.812 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.527 -12.099 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.064 -12.159 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.330 -14.157 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.286 -14.313 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.955 -13.996 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.585 -14.673 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.451 -16.600 -9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.811 -15.922 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.416 -17.610 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.181 -16.099 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.832 -16.756 -10.076 1.00 0.00 H new ATOM 774 N GLY A 53 -0.362 -9.664 -9.736 1.00 0.00 N ATOM 775 CA GLY A 53 -0.276 -8.256 -9.394 1.00 0.00 C ATOM 776 C GLY A 53 -1.251 -7.865 -8.301 1.00 0.00 C ATOM 777 O GLY A 53 -2.243 -8.557 -8.068 1.00 0.00 O ATOM 0 H GLY A 53 0.435 -10.227 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.739 -8.025 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.472 -7.657 -10.283 1.00 0.00 H new ATOM 781 N ILE A 54 -0.968 -6.755 -7.628 1.00 0.00 N ATOM 782 CA ILE A 54 -1.828 -6.273 -6.554 1.00 0.00 C ATOM 783 C ILE A 54 -2.317 -4.856 -6.834 1.00 0.00 C ATOM 784 O ILE A 54 -1.548 -3.997 -7.265 1.00 0.00 O ATOM 785 CB ILE A 54 -1.098 -6.294 -5.198 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.082 -6.011 -4.060 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.035 -5.279 -5.190 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.152 -7.119 -3.033 1.00 0.00 C ATOM 0 H ILE A 54 -0.150 -6.173 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.684 -6.947 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.672 -7.286 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.794 -5.084 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.075 -5.853 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.541 -5.306 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.746 -5.521 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.369 -4.281 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.868 -6.851 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.469 -8.043 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.169 -7.263 -2.585 1.00 0.00 H new ATOM 800 N TRP A 55 -3.599 -4.619 -6.584 1.00 0.00 N ATOM 801 CA TRP A 55 -4.191 -3.305 -6.807 1.00 0.00 C ATOM 802 C TRP A 55 -3.785 -2.331 -5.707 1.00 0.00 C ATOM 803 O TRP A 55 -3.591 -2.725 -4.557 1.00 0.00 O ATOM 804 CB TRP A 55 -5.715 -3.414 -6.871 1.00 0.00 C ATOM 805 CG TRP A 55 -6.199 -4.383 -7.907 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.260 -5.743 -7.792 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.686 -4.067 -9.216 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.756 -6.291 -8.951 1.00 0.00 N ATOM 809 CE2 TRP A 55 -7.026 -5.284 -9.839 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.871 -2.875 -9.921 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.538 -5.339 -11.133 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.379 -2.932 -11.205 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.708 -4.157 -11.800 1.00 0.00 C ATOM 0 H TRP A 55 -4.249 -5.319 -6.227 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.820 -2.924 -7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.091 -3.719 -5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.134 -2.430 -7.081 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.962 -6.305 -6.919 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.900 -7.286 -9.122 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.621 -1.926 -9.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.792 -6.282 -11.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.525 -2.017 -11.759 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.104 -4.168 -12.805 1.00 0.00 H new ATOM 824 N SER A 56 -3.657 -1.058 -6.067 1.00 0.00 N ATOM 825 CA SER A 56 -3.269 -0.028 -5.110 1.00 0.00 C ATOM 826 C SER A 56 -4.164 -0.070 -3.875 1.00 0.00 C ATOM 827 O SER A 56 -3.734 0.268 -2.772 1.00 0.00 O ATOM 828 CB SER A 56 -3.342 1.355 -5.760 1.00 0.00 C ATOM 829 OG SER A 56 -3.666 2.351 -4.805 1.00 0.00 O ATOM 0 H SER A 56 -3.816 -0.715 -7.014 1.00 0.00 H new ATOM 0 HA SER A 56 -2.242 -0.222 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.386 1.592 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.091 1.349 -6.552 1.00 0.00 H new ATOM 0 HG SER A 56 -3.705 3.226 -5.245 1.00 0.00 H new ATOM 835 N ARG A 57 -5.411 -0.487 -4.069 1.00 0.00 N ATOM 836 CA ARG A 57 -6.367 -0.573 -2.972 1.00 0.00 C ATOM 837 C ARG A 57 -6.075 -1.782 -2.089 1.00 0.00 C ATOM 838 O ARG A 57 -6.209 -1.718 -0.867 1.00 0.00 O ATOM 839 CB ARG A 57 -7.794 -0.658 -3.517 1.00 0.00 C ATOM 840 CG ARG A 57 -8.344 0.675 -3.996 1.00 0.00 C ATOM 841 CD ARG A 57 -9.865 0.682 -3.997 1.00 0.00 C ATOM 842 NE ARG A 57 -10.406 2.038 -3.958 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.435 2.849 -5.009 1.00 0.00 C ATOM 844 NH1 ARG A 57 -9.957 2.442 -6.177 1.00 0.00 N ATOM 845 NH2 ARG A 57 -10.944 4.069 -4.894 1.00 0.00 N ATOM 0 H ARG A 57 -5.783 -0.770 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.269 0.328 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.816 -1.369 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.448 -1.053 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.976 1.474 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.977 0.881 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.229 0.172 -4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.231 0.121 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.782 2.381 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.566 1.504 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.980 3.067 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.314 4.385 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.966 4.691 -5.702 1.00 0.00 H new ATOM 859 N ASP A 58 -5.676 -2.883 -2.716 1.00 0.00 N ATOM 860 CA ASP A 58 -5.365 -4.108 -1.987 1.00 0.00 C ATOM 861 C ASP A 58 -4.116 -3.927 -1.130 1.00 0.00 C ATOM 862 O ASP A 58 -4.162 -4.075 0.091 1.00 0.00 O ATOM 863 CB ASP A 58 -5.166 -5.270 -2.962 1.00 0.00 C ATOM 864 CG ASP A 58 -6.468 -5.965 -3.307 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.324 -6.102 -2.409 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.631 -6.371 -4.477 1.00 0.00 O ATOM 0 H ASP A 58 -5.560 -2.953 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.205 -4.335 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.703 -4.898 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.476 -5.993 -2.526 1.00 0.00 H new ATOM 871 N VAL A 59 -3.001 -3.607 -1.778 1.00 0.00 N ATOM 872 CA VAL A 59 -1.739 -3.406 -1.075 1.00 0.00 C ATOM 873 C VAL A 59 -1.884 -2.362 0.026 1.00 0.00 C ATOM 874 O VAL A 59 -1.148 -2.380 1.013 1.00 0.00 O ATOM 875 CB VAL A 59 -0.623 -2.966 -2.041 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.033 -1.712 -2.797 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.678 -2.741 -1.284 1.00 0.00 C ATOM 0 H VAL A 59 -2.945 -3.481 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.468 -4.363 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.461 -3.762 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.231 -1.417 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.938 -1.913 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.224 -0.906 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.456 -2.431 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.533 -1.964 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.979 -3.667 -0.794 1.00 0.00 H new ATOM 887 N ARG A 60 -2.838 -1.454 -0.149 1.00 0.00 N ATOM 888 CA ARG A 60 -3.079 -0.401 0.830 1.00 0.00 C ATOM 889 C ARG A 60 -3.794 -0.954 2.059 1.00 0.00 C ATOM 890 O ARG A 60 -3.455 -0.613 3.193 1.00 0.00 O ATOM 891 CB ARG A 60 -3.909 0.723 0.207 1.00 0.00 C ATOM 892 CG ARG A 60 -4.178 1.880 1.157 1.00 0.00 C ATOM 893 CD ARG A 60 -5.564 2.467 0.942 1.00 0.00 C ATOM 894 NE ARG A 60 -6.474 2.134 2.035 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.789 2.315 1.977 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.344 2.822 0.885 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.551 1.988 3.012 1.00 0.00 N ATOM 0 H ARG A 60 -3.457 -1.426 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.114 -0.002 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.390 1.101 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.861 0.315 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.083 1.536 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.426 2.656 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.489 3.551 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.974 2.095 0.003 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.078 1.741 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.761 3.074 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.354 2.960 0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.128 1.597 3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.560 2.127 2.966 1.00 0.00 H new ATOM 911 N TYR A 61 -4.783 -1.810 1.827 1.00 0.00 N ATOM 912 CA TYR A 61 -5.547 -2.409 2.914 1.00 0.00 C ATOM 913 C TYR A 61 -4.654 -3.282 3.791 1.00 0.00 C ATOM 914 O TYR A 61 -4.645 -3.151 5.015 1.00 0.00 O ATOM 915 CB TYR A 61 -6.703 -3.240 2.356 1.00 0.00 C ATOM 916 CG TYR A 61 -8.003 -3.049 3.104 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.580 -1.791 3.222 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.653 -4.126 3.694 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.768 -1.611 3.906 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.841 -3.956 4.377 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.394 -2.697 4.481 1.00 0.00 C ATOM 922 OH TYR A 61 -11.577 -2.523 5.162 1.00 0.00 O ATOM 0 H TYR A 61 -5.074 -2.105 0.895 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.951 -1.603 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.855 -2.979 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.428 -4.294 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.092 -0.939 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.222 -5.113 3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.203 -0.626 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.334 -4.805 4.827 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.887 -3.387 5.505 1.00 0.00 H new ATOM 932 N LYS A 62 -3.903 -4.175 3.155 1.00 0.00 N ATOM 933 CA LYS A 62 -3.004 -5.070 3.873 1.00 0.00 C ATOM 934 C LYS A 62 -1.893 -4.286 4.564 1.00 0.00 C ATOM 935 O LYS A 62 -1.401 -4.687 5.619 1.00 0.00 O ATOM 936 CB LYS A 62 -2.398 -6.097 2.913 1.00 0.00 C ATOM 937 CG LYS A 62 -3.336 -7.244 2.579 1.00 0.00 C ATOM 938 CD LYS A 62 -2.568 -8.486 2.156 1.00 0.00 C ATOM 939 CE LYS A 62 -2.804 -8.814 0.690 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.219 -9.197 0.428 1.00 0.00 N ATOM 0 H LYS A 62 -3.899 -4.298 2.142 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.584 -5.592 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.110 -5.594 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.486 -6.501 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.954 -7.475 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.011 -6.942 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.503 -8.333 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.873 -9.331 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.542 -7.951 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.146 -9.629 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.271 -9.755 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.578 -9.764 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.798 -8.339 0.326 1.00 0.00 H new ATOM 954 N SER A 63 -1.502 -3.168 3.962 1.00 0.00 N ATOM 955 CA SER A 63 -0.447 -2.329 4.518 1.00 0.00 C ATOM 956 C SER A 63 -0.986 -1.456 5.648 1.00 0.00 C ATOM 957 O SER A 63 -0.239 -1.032 6.529 1.00 0.00 O ATOM 958 CB SER A 63 0.164 -1.449 3.426 1.00 0.00 C ATOM 959 OG SER A 63 0.956 -2.216 2.536 1.00 0.00 O ATOM 0 H SER A 63 -1.900 -2.822 3.089 1.00 0.00 H new ATOM 0 HA SER A 63 0.326 -2.982 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.630 -0.948 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.775 -0.670 3.882 1.00 0.00 H new ATOM 0 HG SER A 63 0.507 -2.275 1.667 1.00 0.00 H new ATOM 965 N ASN A 64 -2.288 -1.192 5.614 1.00 0.00 N ATOM 966 CA ASN A 64 -2.928 -0.369 6.634 1.00 0.00 C ATOM 967 C ASN A 64 -2.373 1.052 6.614 1.00 0.00 C ATOM 968 O ASN A 64 -2.235 1.691 7.657 1.00 0.00 O ATOM 969 CB ASN A 64 -2.725 -0.988 8.019 1.00 0.00 C ATOM 970 CG ASN A 64 -3.763 -0.518 9.020 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.840 -0.055 8.643 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.442 -0.633 10.303 1.00 0.00 N ATOM 0 H ASN A 64 -2.921 -1.536 4.891 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.995 -0.326 6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.768 -2.074 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.730 -0.734 8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.100 -0.332 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.538 -1.023 10.570 1.00 0.00 H new ATOM 979 N LEU A 65 -2.058 1.541 5.419 1.00 0.00 N ATOM 980 CA LEU A 65 -1.519 2.887 5.262 1.00 0.00 C ATOM 981 C LEU A 65 -2.438 3.744 4.397 1.00 0.00 C ATOM 982 O LEU A 65 -3.047 3.270 3.437 1.00 0.00 O ATOM 983 CB LEU A 65 -0.123 2.829 4.640 1.00 0.00 C ATOM 984 CG LEU A 65 0.818 1.762 5.200 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.099 1.697 4.383 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.130 2.041 6.663 1.00 0.00 C ATOM 0 H LEU A 65 -2.167 1.026 4.546 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.451 3.342 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.231 2.663 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.349 3.803 4.765 1.00 0.00 H new ATOM 0 HG LEU A 65 0.320 0.795 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.756 0.932 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.859 1.449 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.601 2.664 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.801 1.272 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.608 3.017 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.205 2.035 7.240 1.00 0.00 H new ATOM 998 N PRO A 66 -2.541 5.036 4.741 1.00 0.00 N ATOM 999 CA PRO A 66 -3.381 5.987 4.008 1.00 0.00 C ATOM 1000 C PRO A 66 -2.828 6.299 2.621 1.00 0.00 C ATOM 1001 O PRO A 66 -1.635 6.133 2.366 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.353 7.238 4.889 1.00 0.00 C ATOM 1003 CG PRO A 66 -2.077 7.137 5.650 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.843 5.668 5.874 1.00 0.00 C ATOM 0 HA PRO A 66 -4.383 5.595 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.384 8.146 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.212 7.270 5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.254 7.583 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.145 7.670 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.780 5.426 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.248 5.338 6.831 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.702 6.752 1.729 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.301 7.088 0.368 1.00 0.00 C ATOM 1014 C LEU A 67 -2.108 8.038 0.370 1.00 0.00 C ATOM 1015 O LEU A 67 -1.218 7.939 -0.475 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.471 7.722 -0.388 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.259 8.790 0.371 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.484 10.012 -0.507 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.588 8.229 0.856 1.00 0.00 C ATOM 0 H LEU A 67 -4.693 6.895 1.924 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.007 6.167 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.087 8.166 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.160 6.930 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.676 9.094 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.046 10.762 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.522 10.428 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.045 9.723 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.135 9.003 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.176 7.897 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.406 7.385 1.521 1.00 0.00 H new ATOM 1031 N THR A 68 -2.094 8.960 1.329 1.00 0.00 N ATOM 1032 CA THR A 68 -1.010 9.927 1.443 1.00 0.00 C ATOM 1033 C THR A 68 0.339 9.229 1.574 1.00 0.00 C ATOM 1034 O THR A 68 1.361 9.745 1.123 1.00 0.00 O ATOM 1035 CB THR A 68 -1.213 10.858 2.653 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.232 11.902 2.638 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.114 10.081 3.957 1.00 0.00 C ATOM 0 H THR A 68 -2.822 9.057 2.037 1.00 0.00 H new ATOM 0 HA THR A 68 -1.020 10.522 0.530 1.00 0.00 H new ATOM 0 HB THR A 68 -2.209 11.295 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.369 12.491 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.261 10.760 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.881 9.306 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.130 9.619 4.031 1.00 0.00 H new ATOM 1045 N GLU A 69 0.333 8.053 2.194 1.00 0.00 N ATOM 1046 CA GLU A 69 1.558 7.285 2.384 1.00 0.00 C ATOM 1047 C GLU A 69 1.851 6.417 1.163 1.00 0.00 C ATOM 1048 O GLU A 69 2.900 6.549 0.533 1.00 0.00 O ATOM 1049 CB GLU A 69 1.447 6.407 3.633 1.00 0.00 C ATOM 1050 CG GLU A 69 1.472 7.193 4.933 1.00 0.00 C ATOM 1051 CD GLU A 69 2.853 7.722 5.269 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.644 6.973 5.879 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.142 8.886 4.921 1.00 0.00 O ATOM 0 H GLU A 69 -0.505 7.612 2.573 1.00 0.00 H new ATOM 0 HA GLU A 69 2.381 7.988 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.521 5.833 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.267 5.689 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.775 8.028 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.124 6.555 5.745 1.00 0.00 H new ATOM 1060 N ILE A 70 0.916 5.530 0.838 1.00 0.00 N ATOM 1061 CA ILE A 70 1.073 4.641 -0.306 1.00 0.00 C ATOM 1062 C ILE A 70 1.428 5.424 -1.566 1.00 0.00 C ATOM 1063 O ILE A 70 2.145 4.929 -2.435 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.207 3.825 -0.566 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.567 2.994 0.667 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.027 2.929 -1.782 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.464 1.939 1.006 1.00 0.00 C ATOM 0 H ILE A 70 0.043 5.408 1.351 1.00 0.00 H new ATOM 0 HA ILE A 70 1.887 3.957 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.026 4.516 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.688 3.660 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.529 2.510 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.940 2.359 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.187 3.542 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.802 2.243 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.144 1.388 1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.569 1.250 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.423 2.418 1.204 1.00 0.00 H new ATOM 1079 N ASN A 71 0.921 6.649 -1.657 1.00 0.00 N ATOM 1080 CA ASN A 71 1.186 7.502 -2.810 1.00 0.00 C ATOM 1081 C ASN A 71 2.684 7.729 -2.987 1.00 0.00 C ATOM 1082 O ASN A 71 3.190 7.763 -4.109 1.00 0.00 O ATOM 1083 CB ASN A 71 0.470 8.845 -2.652 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.960 8.801 -3.156 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.489 7.733 -3.464 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.592 9.966 -3.242 1.00 0.00 N ATOM 0 H ASN A 71 0.325 7.073 -0.947 1.00 0.00 H new ATOM 0 HA ASN A 71 0.806 6.997 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.473 9.134 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.020 9.613 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.556 10.000 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.114 10.827 -2.976 1.00 0.00 H new ATOM 1093 N LYS A 72 3.389 7.882 -1.872 1.00 0.00 N ATOM 1094 CA LYS A 72 4.830 8.104 -1.901 1.00 0.00 C ATOM 1095 C LYS A 72 5.582 6.781 -1.998 1.00 0.00 C ATOM 1096 O LYS A 72 6.610 6.688 -2.669 1.00 0.00 O ATOM 1097 CB LYS A 72 5.275 8.866 -0.651 1.00 0.00 C ATOM 1098 CG LYS A 72 6.781 9.029 -0.542 1.00 0.00 C ATOM 1099 CD LYS A 72 7.168 9.829 0.690 1.00 0.00 C ATOM 1100 CE LYS A 72 6.703 11.274 0.586 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.818 12.234 0.816 1.00 0.00 N ATOM 0 H LYS A 72 2.986 7.856 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 72 5.063 8.700 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.810 9.852 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.910 8.343 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.252 8.047 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.159 9.528 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.731 9.368 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.250 9.802 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.273 11.447 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.913 11.454 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.460 13.207 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.212 12.087 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.561 12.079 0.105 1.00 0.00 H new ATOM 1115 N ILE A 73 5.063 5.760 -1.324 1.00 0.00 N ATOM 1116 CA ILE A 73 5.685 4.442 -1.337 1.00 0.00 C ATOM 1117 C ILE A 73 5.652 3.832 -2.734 1.00 0.00 C ATOM 1118 O ILE A 73 6.692 3.498 -3.303 1.00 0.00 O ATOM 1119 CB ILE A 73 4.990 3.482 -0.353 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.018 4.060 1.063 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.657 2.115 -0.386 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.189 3.272 2.054 1.00 0.00 C ATOM 0 H ILE A 73 4.214 5.820 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 73 6.721 4.579 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 73 3.950 3.365 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.050 4.095 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.656 5.088 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.155 1.448 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.590 1.702 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.705 2.215 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.255 3.739 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.149 3.258 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.565 2.250 2.112 1.00 0.00 H new ATOM 1134 N LEU A 74 4.451 3.690 -3.283 1.00 0.00 N ATOM 1135 CA LEU A 74 4.281 3.122 -4.616 1.00 0.00 C ATOM 1136 C LEU A 74 5.164 3.840 -5.631 1.00 0.00 C ATOM 1137 O LEU A 74 5.669 3.230 -6.573 1.00 0.00 O ATOM 1138 CB LEU A 74 2.815 3.209 -5.046 1.00 0.00 C ATOM 1139 CG LEU A 74 1.888 2.128 -4.490 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.459 2.359 -4.957 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.369 0.746 -4.907 1.00 0.00 C ATOM 0 H LEU A 74 3.580 3.960 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 74 4.581 2.075 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.426 4.182 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.773 3.171 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 74 1.908 2.185 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.187 1.580 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.115 3.333 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.423 2.330 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.697 -0.011 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.380 0.677 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.376 0.580 -4.523 1.00 0.00 H new ATOM 1153 N LYS A 75 5.349 5.141 -5.431 1.00 0.00 N ATOM 1154 CA LYS A 75 6.174 5.943 -6.326 1.00 0.00 C ATOM 1155 C LYS A 75 7.656 5.730 -6.036 1.00 0.00 C ATOM 1156 O LYS A 75 8.482 5.728 -6.948 1.00 0.00 O ATOM 1157 CB LYS A 75 5.824 7.426 -6.183 1.00 0.00 C ATOM 1158 CG LYS A 75 5.641 8.139 -7.512 1.00 0.00 C ATOM 1159 CD LYS A 75 4.312 8.873 -7.573 1.00 0.00 C ATOM 1160 CE LYS A 75 4.434 10.185 -8.332 1.00 0.00 C ATOM 1161 NZ LYS A 75 4.016 10.043 -9.755 1.00 0.00 N ATOM 0 H LYS A 75 4.938 5.662 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 75 5.972 5.625 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.907 7.520 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.612 7.924 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.456 8.847 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.695 7.415 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.567 8.240 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.956 9.068 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.820 10.944 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.465 10.535 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.114 10.959 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.618 9.337 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.024 9.734 -9.796 1.00 0.00 H new ATOM 1175 N ASN A 76 7.986 5.550 -4.761 1.00 0.00 N ATOM 1176 CA ASN A 76 9.369 5.335 -4.353 1.00 0.00 C ATOM 1177 C ASN A 76 9.968 4.131 -5.073 1.00 0.00 C ATOM 1178 O ASN A 76 10.947 4.258 -5.810 1.00 0.00 O ATOM 1179 CB ASN A 76 9.449 5.129 -2.839 1.00 0.00 C ATOM 1180 CG ASN A 76 10.511 5.998 -2.193 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.700 5.681 -2.236 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.085 7.101 -1.588 1.00 0.00 N ATOM 0 H ASN A 76 7.315 5.549 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 76 9.944 6.221 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.480 5.352 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.663 4.081 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.753 7.724 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.090 7.325 -1.577 1.00 0.00 H new ATOM 1189 N LEU A 77 9.374 2.963 -4.856 1.00 0.00 N ATOM 1190 CA LEU A 77 9.848 1.735 -5.485 1.00 0.00 C ATOM 1191 C LEU A 77 9.981 1.912 -6.994 1.00 0.00 C ATOM 1192 O LEU A 77 10.899 1.375 -7.612 1.00 0.00 O ATOM 1193 CB LEU A 77 8.892 0.580 -5.179 1.00 0.00 C ATOM 1194 CG LEU A 77 9.093 -0.118 -3.833 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.876 -0.959 -3.481 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.348 -0.977 -3.859 1.00 0.00 C ATOM 0 H LEU A 77 8.563 2.840 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 77 10.832 1.503 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.871 0.959 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.988 -0.164 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 77 9.216 0.645 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.037 -1.448 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.996 -0.318 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.721 -1.715 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.475 -1.466 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.255 -1.733 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.215 -0.349 -4.064 1.00 0.00 H new ATOM 1208 N GLU A 78 9.060 2.671 -7.579 1.00 0.00 N ATOM 1209 CA GLU A 78 9.077 2.920 -9.016 1.00 0.00 C ATOM 1210 C GLU A 78 10.396 3.559 -9.442 1.00 0.00 C ATOM 1211 O GLU A 78 11.102 3.035 -10.304 1.00 0.00 O ATOM 1212 CB GLU A 78 7.909 3.825 -9.413 1.00 0.00 C ATOM 1213 CG GLU A 78 7.247 3.426 -10.722 1.00 0.00 C ATOM 1214 CD GLU A 78 7.305 4.526 -11.764 1.00 0.00 C ATOM 1215 OE1 GLU A 78 6.634 5.561 -11.569 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.019 4.352 -12.773 1.00 0.00 O ATOM 0 H GLU A 78 8.294 3.124 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 78 8.975 1.962 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.163 3.810 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.267 4.851 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.734 2.533 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.206 3.164 -10.533 1.00 0.00 H new ATOM 1223 N SER A 79 10.721 4.694 -8.832 1.00 0.00 N ATOM 1224 CA SER A 79 11.953 5.407 -9.151 1.00 0.00 C ATOM 1225 C SER A 79 13.169 4.507 -8.953 1.00 0.00 C ATOM 1226 O SER A 79 14.141 4.581 -9.705 1.00 0.00 O ATOM 1227 CB SER A 79 12.083 6.658 -8.280 1.00 0.00 C ATOM 1228 OG SER A 79 12.310 7.810 -9.073 1.00 0.00 O ATOM 0 H SER A 79 10.149 5.140 -8.115 1.00 0.00 H new ATOM 0 HA SER A 79 11.910 5.705 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.175 6.791 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.904 6.530 -7.575 1.00 0.00 H new ATOM 0 HG SER A 79 12.388 8.596 -8.493 1.00 0.00 H new ATOM 1234 N LYS A 80 13.107 3.656 -7.934 1.00 0.00 N ATOM 1235 CA LYS A 80 14.201 2.740 -7.635 1.00 0.00 C ATOM 1236 C LYS A 80 14.340 1.684 -8.727 1.00 0.00 C ATOM 1237 O LYS A 80 15.339 0.967 -8.788 1.00 0.00 O ATOM 1238 CB LYS A 80 13.970 2.062 -6.282 1.00 0.00 C ATOM 1239 CG LYS A 80 13.570 3.026 -5.179 1.00 0.00 C ATOM 1240 CD LYS A 80 14.427 2.840 -3.938 1.00 0.00 C ATOM 1241 CE LYS A 80 13.941 3.710 -2.789 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.491 5.092 -2.868 1.00 0.00 N ATOM 0 H LYS A 80 12.310 3.582 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 80 15.124 3.318 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.192 1.306 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.881 1.542 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.665 4.051 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.521 2.874 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.409 1.793 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.463 3.087 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.852 3.751 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.233 3.257 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.731 5.779 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.240 5.209 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.886 5.255 -3.816 1.00 0.00 H new ATOM 1256 N LYS A 81 13.333 1.595 -9.589 1.00 0.00 N ATOM 1257 CA LYS A 81 13.344 0.629 -10.682 1.00 0.00 C ATOM 1258 C LYS A 81 13.345 -0.799 -10.145 1.00 0.00 C ATOM 1259 O LYS A 81 13.946 -1.695 -10.740 1.00 0.00 O ATOM 1260 CB LYS A 81 14.567 0.851 -11.574 1.00 0.00 C ATOM 1261 CG LYS A 81 14.292 0.626 -13.051 1.00 0.00 C ATOM 1262 CD LYS A 81 15.573 0.653 -13.868 1.00 0.00 C ATOM 1263 CE LYS A 81 15.287 0.526 -15.356 1.00 0.00 C ATOM 1264 NZ LYS A 81 15.722 -0.793 -15.893 1.00 0.00 N ATOM 0 H LYS A 81 12.498 2.180 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 81 12.440 0.776 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.930 1.869 -11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.365 0.180 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.793 -0.334 -13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.610 1.394 -13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.108 1.583 -13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.225 -0.161 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.219 0.656 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.799 1.324 -15.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.510 -0.841 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.745 -0.907 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.215 -1.554 -15.398 1.00 0.00 H new ATOM 1278 N LEU A 82 12.669 -1.004 -9.021 1.00 0.00 N ATOM 1279 CA LEU A 82 12.591 -2.324 -8.405 1.00 0.00 C ATOM 1280 C LEU A 82 11.274 -3.010 -8.753 1.00 0.00 C ATOM 1281 O LEU A 82 11.186 -4.239 -8.761 1.00 0.00 O ATOM 1282 CB LEU A 82 12.733 -2.210 -6.886 1.00 0.00 C ATOM 1283 CG LEU A 82 14.148 -1.962 -6.361 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.142 -1.850 -4.845 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.086 -3.071 -6.813 1.00 0.00 C ATOM 0 H LEU A 82 12.167 -0.273 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 82 13.410 -2.928 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.092 -1.399 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.356 -3.128 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 82 14.508 -1.019 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.157 -1.674 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.503 -1.020 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.762 -2.776 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.088 -2.878 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.729 -4.027 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.113 -3.103 -7.902 1.00 0.00 H new ATOM 1297 N ILE A 83 10.254 -2.210 -9.043 1.00 0.00 N ATOM 1298 CA ILE A 83 8.943 -2.740 -9.396 1.00 0.00 C ATOM 1299 C ILE A 83 8.502 -2.248 -10.770 1.00 0.00 C ATOM 1300 O ILE A 83 9.155 -1.399 -11.377 1.00 0.00 O ATOM 1301 CB ILE A 83 7.878 -2.346 -8.355 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.768 -0.823 -8.258 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.215 -2.946 -6.999 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.690 -0.355 -7.305 1.00 0.00 C ATOM 0 H ILE A 83 10.310 -1.192 -9.040 1.00 0.00 H new ATOM 0 HA ILE A 83 9.036 -3.826 -9.415 1.00 0.00 H new ATOM 0 HB ILE A 83 6.914 -2.741 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.727 -0.417 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.566 -0.417 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.453 -2.658 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.247 -4.033 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.187 -2.578 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.669 0.735 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.722 -0.731 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.901 -0.731 -6.304 1.00 0.00 H new ATOM 1316 N LYS A 84 7.388 -2.785 -11.255 1.00 0.00 N ATOM 1317 CA LYS A 84 6.856 -2.399 -12.557 1.00 0.00 C ATOM 1318 C LYS A 84 5.343 -2.217 -12.494 1.00 0.00 C ATOM 1319 O LYS A 84 4.609 -3.152 -12.174 1.00 0.00 O ATOM 1320 CB LYS A 84 7.211 -3.452 -13.609 1.00 0.00 C ATOM 1321 CG LYS A 84 6.692 -4.841 -13.278 1.00 0.00 C ATOM 1322 CD LYS A 84 7.364 -5.905 -14.130 1.00 0.00 C ATOM 1323 CE LYS A 84 6.468 -6.348 -15.276 1.00 0.00 C ATOM 1324 NZ LYS A 84 5.588 -7.484 -14.884 1.00 0.00 N ATOM 0 H LYS A 84 6.835 -3.489 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 84 7.307 -1.448 -12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.806 -3.142 -14.572 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.295 -3.494 -13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.867 -5.054 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.614 -4.875 -13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.301 -5.516 -14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.615 -6.765 -13.509 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.854 -5.509 -15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.084 -6.642 -16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.993 -7.757 -15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.174 -8.294 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.982 -7.196 -14.089 1.00 0.00 H new ATOM 1338 N ALA A 85 4.883 -1.009 -12.802 1.00 0.00 N ATOM 1339 CA ALA A 85 3.457 -0.707 -12.784 1.00 0.00 C ATOM 1340 C ALA A 85 2.759 -1.276 -14.015 1.00 0.00 C ATOM 1341 O ALA A 85 3.315 -1.269 -15.114 1.00 0.00 O ATOM 1342 CB ALA A 85 3.237 0.796 -12.697 1.00 0.00 C ATOM 0 H ALA A 85 5.477 -0.223 -13.067 1.00 0.00 H new ATOM 0 HA ALA A 85 3.022 -1.178 -11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.168 1.007 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.693 1.178 -11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.692 1.281 -13.560 1.00 0.00 H new ATOM 1348 N VAL A 86 1.539 -1.768 -13.824 1.00 0.00 N ATOM 1349 CA VAL A 86 0.766 -2.340 -14.920 1.00 0.00 C ATOM 1350 C VAL A 86 -0.643 -1.760 -14.959 1.00 0.00 C ATOM 1351 O VAL A 86 -1.430 -1.946 -14.030 1.00 0.00 O ATOM 1352 CB VAL A 86 0.675 -3.873 -14.802 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.991 -4.519 -15.208 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.288 -4.276 -13.387 1.00 0.00 C ATOM 0 H VAL A 86 1.065 -1.782 -12.921 1.00 0.00 H new ATOM 0 HA VAL A 86 1.287 -2.084 -15.843 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.101 -4.227 -15.481 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.908 -5.602 -15.118 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.221 -4.257 -16.241 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.788 -4.161 -14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.228 -5.362 -13.322 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.039 -3.911 -12.686 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.681 -3.844 -13.138 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.958 -1.056 -16.041 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.274 -0.449 -16.204 1.00 0.00 C ATOM 1366 C LYS A 87 -3.363 -1.516 -16.248 1.00 0.00 C ATOM 1367 O LYS A 87 -3.119 -2.649 -16.662 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.316 0.390 -17.483 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.896 1.835 -17.276 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.977 2.801 -17.731 1.00 0.00 C ATOM 1371 CE LYS A 87 -3.086 2.841 -19.247 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.405 4.034 -19.821 1.00 0.00 N ATOM 0 H LYS A 87 -0.319 -0.892 -16.819 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.457 0.198 -15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.664 -0.066 -18.228 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.328 0.369 -17.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.677 2.004 -16.222 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.977 2.030 -17.828 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.935 2.504 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.756 3.800 -17.355 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.647 1.936 -19.667 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.137 2.849 -19.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.502 4.024 -20.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.840 4.899 -19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.397 4.013 -19.568 1.00 0.00 H new