USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 69:sc= 1.24 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -1.5 F(o=-5.2,f=-0.25) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -56:sc= 0.106 USER MOD Single : A 33 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 40 SER OG : rot -171:sc= -0.749 USER MOD Single : A 46 SER OG : rot -35:sc= 0.154 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 72 HIS : no HE2:sc= -2.65 K(o=-2.7,f=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.769 -4.310 -6.987 1.00 0.00 N ATOM 82 CA VAL A 9 6.529 -2.921 -6.634 1.00 0.00 C ATOM 83 C VAL A 9 5.408 -2.363 -7.513 1.00 0.00 C ATOM 84 O VAL A 9 5.488 -2.422 -8.739 1.00 0.00 O ATOM 85 CB VAL A 9 7.829 -2.122 -6.744 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.552 -0.617 -6.716 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.811 -2.518 -5.639 1.00 0.00 C ATOM 0 HA VAL A 9 6.200 -2.841 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 9 8.288 -2.361 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.493 -0.072 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.906 -0.350 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.059 -0.355 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.727 -1.935 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.362 -2.322 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.045 -3.579 -5.723 1.00 0.00 H new ATOM 97 N ARG A 10 4.390 -1.833 -6.852 1.00 0.00 N ATOM 98 CA ARG A 10 3.254 -1.264 -7.558 1.00 0.00 C ATOM 99 C ARG A 10 3.409 0.253 -7.677 1.00 0.00 C ATOM 100 O ARG A 10 4.260 0.847 -7.018 1.00 0.00 O ATOM 101 CB ARG A 10 1.943 -1.581 -6.836 1.00 0.00 C ATOM 102 CG ARG A 10 1.949 -1.017 -5.414 1.00 0.00 C ATOM 103 CD ARG A 10 1.687 -2.120 -4.386 1.00 0.00 C ATOM 104 NE ARG A 10 0.281 -2.061 -3.928 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.718 -2.765 -4.477 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.472 -3.586 -5.507 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.964 -2.648 -3.996 1.00 0.00 N ATOM 0 H ARG A 10 4.328 -1.785 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 10 3.225 -1.708 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.106 -1.161 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.794 -2.660 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.910 -0.546 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.188 -0.242 -5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.894 -3.095 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.360 -2.004 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 10 0.059 -1.446 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.476 -3.675 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.233 -4.122 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.151 -2.023 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.724 -3.184 -4.414 1.00 0.00 H new ATOM 121 N LEU A 11 2.573 0.836 -8.523 1.00 0.00 N ATOM 122 CA LEU A 11 2.606 2.273 -8.737 1.00 0.00 C ATOM 123 C LEU A 11 1.212 2.853 -8.493 1.00 0.00 C ATOM 124 O LEU A 11 0.307 2.668 -9.305 1.00 0.00 O ATOM 125 CB LEU A 11 3.172 2.595 -10.122 1.00 0.00 C ATOM 126 CG LEU A 11 4.636 2.215 -10.353 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.052 2.492 -11.799 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.550 2.919 -9.349 1.00 0.00 C ATOM 0 H LEU A 11 1.869 0.340 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 11 3.279 2.749 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.563 2.086 -10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.063 3.665 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 11 4.741 1.143 -10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.097 2.213 -11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.428 1.908 -12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.928 3.553 -12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.585 2.632 -9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.448 3.999 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.270 2.629 -8.336 1.00 0.00 H new ATOM 140 N VAL A 12 1.082 3.544 -7.369 1.00 0.00 N ATOM 141 CA VAL A 12 -0.187 4.153 -7.007 1.00 0.00 C ATOM 142 C VAL A 12 -0.181 5.623 -7.429 1.00 0.00 C ATOM 143 O VAL A 12 0.848 6.293 -7.344 1.00 0.00 O ATOM 144 CB VAL A 12 -0.452 3.960 -5.513 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.721 4.698 -5.082 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.535 2.474 -5.158 1.00 0.00 C ATOM 0 H VAL A 12 1.835 3.695 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.008 3.668 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 12 0.388 4.389 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.887 4.545 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.608 5.763 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.574 4.312 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.724 2.365 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.346 2.011 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.406 1.986 -5.411 1.00 0.00 H new ATOM 156 N SER A 13 -1.341 6.083 -7.874 1.00 0.00 N ATOM 157 CA SER A 13 -1.482 7.462 -8.308 1.00 0.00 C ATOM 158 C SER A 13 -2.669 8.116 -7.597 1.00 0.00 C ATOM 159 O SER A 13 -3.793 7.625 -7.679 1.00 0.00 O ATOM 160 CB SER A 13 -1.661 7.546 -9.826 1.00 0.00 C ATOM 161 OG SER A 13 -1.630 8.892 -10.293 1.00 0.00 O ATOM 0 H SER A 13 -2.192 5.525 -7.943 1.00 0.00 H new ATOM 0 HA SER A 13 -0.570 7.998 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.873 6.974 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.609 7.087 -10.105 1.00 0.00 H new ATOM 0 HG SER A 13 -1.746 8.903 -11.266 1.00 0.00 H new ATOM 167 N LEU A 14 -2.377 9.215 -6.916 1.00 0.00 N ATOM 168 CA LEU A 14 -3.406 9.941 -6.191 1.00 0.00 C ATOM 169 C LEU A 14 -3.430 11.394 -6.668 1.00 0.00 C ATOM 170 O LEU A 14 -2.464 12.131 -6.477 1.00 0.00 O ATOM 171 CB LEU A 14 -3.203 9.793 -4.682 1.00 0.00 C ATOM 172 CG LEU A 14 -3.746 8.507 -4.055 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.264 8.415 -4.219 1.00 0.00 C ATOM 174 CD2 LEU A 14 -3.033 7.277 -4.623 1.00 0.00 C ATOM 0 H LEU A 14 -1.443 9.620 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.389 9.520 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.135 9.854 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.674 10.642 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.539 8.535 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.624 7.492 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.735 9.268 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.516 8.420 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.437 6.376 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.187 7.232 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.966 7.345 -4.412 1.00 0.00 H new ATOM 315 N LEU A 23 -3.465 12.483 0.174 1.00 0.00 N ATOM 316 CA LEU A 23 -3.720 11.763 -1.062 1.00 0.00 C ATOM 317 C LEU A 23 -4.694 10.616 -0.786 1.00 0.00 C ATOM 318 O LEU A 23 -4.771 9.663 -1.560 1.00 0.00 O ATOM 319 CB LEU A 23 -2.405 11.312 -1.700 1.00 0.00 C ATOM 320 CG LEU A 23 -1.149 12.061 -1.248 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.117 11.304 -1.657 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.150 13.499 -1.769 1.00 0.00 C ATOM 0 HA LEU A 23 -4.195 12.417 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.267 10.251 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.495 11.413 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.156 12.114 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.995 11.857 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.115 10.316 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.144 11.199 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.247 14.008 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.178 13.491 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.026 14.024 -1.387 1.00 0.00 H new ATOM 334 N GLY A 24 -5.414 10.745 0.318 1.00 0.00 N ATOM 335 CA GLY A 24 -6.380 9.732 0.705 1.00 0.00 C ATOM 336 C GLY A 24 -5.739 8.682 1.616 1.00 0.00 C ATOM 337 O GLY A 24 -6.439 7.941 2.304 1.00 0.00 O ATOM 0 H GLY A 24 -5.348 11.537 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.218 10.202 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.782 9.249 -0.186 1.00 0.00 H new ATOM 341 N PHE A 25 -4.415 8.652 1.589 1.00 0.00 N ATOM 342 CA PHE A 25 -3.671 7.706 2.404 1.00 0.00 C ATOM 343 C PHE A 25 -2.574 8.413 3.202 1.00 0.00 C ATOM 344 O PHE A 25 -1.793 9.182 2.643 1.00 0.00 O ATOM 345 CB PHE A 25 -3.024 6.704 1.446 1.00 0.00 C ATOM 346 CG PHE A 25 -1.744 7.215 0.782 1.00 0.00 C ATOM 347 CD1 PHE A 25 -1.818 7.955 -0.357 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.533 6.930 1.331 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.630 8.429 -0.973 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.655 7.405 0.714 1.00 0.00 C ATOM 351 CZ PHE A 25 0.582 8.144 -0.425 1.00 0.00 C ATOM 0 H PHE A 25 -3.838 9.267 1.016 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.340 7.218 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.797 5.789 1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.744 6.442 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.780 8.182 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.475 6.343 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.689 9.016 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.617 7.179 1.150 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.486 8.504 -0.894 1.00 0.00 H new ATOM 361 N SER A 26 -2.549 8.127 4.495 1.00 0.00 N ATOM 362 CA SER A 26 -1.561 8.726 5.375 1.00 0.00 C ATOM 363 C SER A 26 -0.306 7.851 5.425 1.00 0.00 C ATOM 364 O SER A 26 -0.384 6.637 5.242 1.00 0.00 O ATOM 365 CB SER A 26 -2.125 8.924 6.783 1.00 0.00 C ATOM 366 OG SER A 26 -2.154 10.299 7.158 1.00 0.00 O ATOM 0 H SER A 26 -3.198 7.488 4.955 1.00 0.00 H new ATOM 0 HA SER A 26 -1.298 9.706 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.134 8.514 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.520 8.366 7.498 1.00 0.00 H new ATOM 0 HG SER A 26 -2.522 10.384 8.062 1.00 0.00 H new ATOM 372 N ILE A 27 0.821 8.502 5.673 1.00 0.00 N ATOM 373 CA ILE A 27 2.090 7.799 5.749 1.00 0.00 C ATOM 374 C ILE A 27 2.667 7.948 7.158 1.00 0.00 C ATOM 375 O ILE A 27 2.290 8.858 7.894 1.00 0.00 O ATOM 376 CB ILE A 27 3.034 8.277 4.644 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.413 9.746 4.844 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.432 8.024 3.261 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.931 9.933 4.790 1.00 0.00 C ATOM 0 H ILE A 27 0.882 9.509 5.824 1.00 0.00 H new ATOM 0 HA ILE A 27 1.946 6.733 5.574 1.00 0.00 H new ATOM 0 HB ILE A 27 3.954 7.696 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.940 10.355 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.034 10.096 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.123 8.373 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.255 6.956 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.488 8.562 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.173 10.986 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.399 9.341 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.304 9.605 3.820 1.00 0.00 H new ATOM 391 N ARG A 28 3.572 7.039 7.491 1.00 0.00 N ATOM 392 CA ARG A 28 4.205 7.058 8.799 1.00 0.00 C ATOM 393 C ARG A 28 5.682 6.674 8.680 1.00 0.00 C ATOM 394 O ARG A 28 6.135 6.260 7.614 1.00 0.00 O ATOM 395 CB ARG A 28 3.510 6.092 9.761 1.00 0.00 C ATOM 396 CG ARG A 28 3.088 4.810 9.041 1.00 0.00 C ATOM 397 CD ARG A 28 2.755 3.702 10.043 1.00 0.00 C ATOM 398 NE ARG A 28 2.824 2.382 9.379 1.00 0.00 N ATOM 399 CZ ARG A 28 2.931 1.217 10.033 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.980 1.202 11.372 1.00 0.00 N ATOM 401 NH2 ARG A 28 2.988 0.067 9.348 1.00 0.00 N ATOM 0 H ARG A 28 3.882 6.285 6.878 1.00 0.00 H new ATOM 0 HA ARG A 28 4.120 8.070 9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.181 5.847 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.635 6.574 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.220 5.010 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.889 4.479 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.453 3.735 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.758 3.860 10.454 1.00 0.00 H new ATOM 0 HE ARG A 28 2.788 2.357 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.936 2.077 11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.061 0.315 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.950 0.078 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.069 -0.820 9.846 1.00 0.00 H new ATOM 415 N GLY A 29 6.391 6.826 9.789 1.00 0.00 N ATOM 416 CA GLY A 29 7.806 6.500 9.822 1.00 0.00 C ATOM 417 C GLY A 29 8.662 7.754 9.629 1.00 0.00 C ATOM 418 O GLY A 29 8.224 8.862 9.934 1.00 0.00 O ATOM 0 H GLY A 29 6.012 7.171 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.053 6.030 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.034 5.776 9.040 1.00 0.00 H new ATOM 422 N GLY A 30 9.867 7.537 9.122 1.00 0.00 N ATOM 423 CA GLY A 30 10.787 8.636 8.885 1.00 0.00 C ATOM 424 C GLY A 30 12.186 8.303 9.409 1.00 0.00 C ATOM 425 O GLY A 30 12.377 7.287 10.076 1.00 0.00 O ATOM 0 H GLY A 30 10.227 6.617 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.836 8.850 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.417 9.537 9.374 1.00 0.00 H new ATOM 429 N SER A 31 13.127 9.179 9.089 1.00 0.00 N ATOM 430 CA SER A 31 14.502 8.990 9.520 1.00 0.00 C ATOM 431 C SER A 31 14.714 9.636 10.890 1.00 0.00 C ATOM 432 O SER A 31 15.722 10.304 11.117 1.00 0.00 O ATOM 433 CB SER A 31 15.483 9.573 8.501 1.00 0.00 C ATOM 434 OG SER A 31 16.817 9.128 8.730 1.00 0.00 O ATOM 0 H SER A 31 12.965 10.021 8.537 1.00 0.00 H new ATOM 0 HA SER A 31 14.693 7.920 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.173 9.288 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.451 10.661 8.548 1.00 0.00 H new ATOM 0 HG SER A 31 17.083 9.351 9.646 1.00 0.00 H new ATOM 440 N GLU A 32 13.747 9.415 11.769 1.00 0.00 N ATOM 441 CA GLU A 32 13.815 9.968 13.111 1.00 0.00 C ATOM 442 C GLU A 32 13.859 8.842 14.147 1.00 0.00 C ATOM 443 O GLU A 32 14.556 8.948 15.154 1.00 0.00 O ATOM 444 CB GLU A 32 12.640 10.911 13.376 1.00 0.00 C ATOM 445 CG GLU A 32 11.323 10.137 13.457 1.00 0.00 C ATOM 446 CD GLU A 32 10.128 11.092 13.510 1.00 0.00 C ATOM 447 OE1 GLU A 32 9.787 11.635 12.437 1.00 0.00 O ATOM 448 OE2 GLU A 32 9.583 11.257 14.623 1.00 0.00 O ATOM 0 H GLU A 32 12.912 8.861 11.578 1.00 0.00 H new ATOM 0 HA GLU A 32 14.732 10.551 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.806 11.452 14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.580 11.655 12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.230 9.480 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.325 9.501 14.342 1.00 0.00 H new ATOM 455 N HIS A 33 13.105 7.790 13.863 1.00 0.00 N ATOM 456 CA HIS A 33 13.048 6.647 14.757 1.00 0.00 C ATOM 457 C HIS A 33 13.977 5.546 14.241 1.00 0.00 C ATOM 458 O HIS A 33 14.264 4.586 14.954 1.00 0.00 O ATOM 459 CB HIS A 33 11.606 6.169 14.939 1.00 0.00 C ATOM 460 CG HIS A 33 11.044 6.423 16.317 1.00 0.00 C ATOM 461 ND1 HIS A 33 10.298 5.484 17.007 1.00 0.00 N ATOM 462 CD2 HIS A 33 11.127 7.519 17.125 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.953 6.002 18.177 1.00 0.00 C ATOM 464 NE2 HIS A 33 10.467 7.263 18.248 1.00 0.00 N ATOM 0 H HIS A 33 12.528 7.706 13.026 1.00 0.00 H new ATOM 0 HA HIS A 33 13.400 6.938 15.747 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.974 6.666 14.203 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.559 5.100 14.730 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.642 8.439 16.891 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.367 5.511 18.940 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.362 7.904 19.034 1.00 0.00 H new ATOM 472 N GLY A 34 14.421 5.722 13.005 1.00 0.00 N ATOM 473 CA GLY A 34 15.311 4.755 12.385 1.00 0.00 C ATOM 474 C GLY A 34 14.532 3.782 11.498 1.00 0.00 C ATOM 475 O GLY A 34 14.782 2.578 11.522 1.00 0.00 O ATOM 0 H GLY A 34 14.181 6.520 12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.061 5.275 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.846 4.201 13.156 1.00 0.00 H new ATOM 479 N VAL A 35 13.603 4.340 10.736 1.00 0.00 N ATOM 480 CA VAL A 35 12.785 3.537 9.843 1.00 0.00 C ATOM 481 C VAL A 35 12.596 4.284 8.522 1.00 0.00 C ATOM 482 O VAL A 35 13.131 5.377 8.340 1.00 0.00 O ATOM 483 CB VAL A 35 11.462 3.181 10.524 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.684 2.794 11.987 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.459 4.330 10.407 1.00 0.00 C ATOM 0 H VAL A 35 13.398 5.339 10.719 1.00 0.00 H new ATOM 0 HA VAL A 35 13.281 2.594 9.614 1.00 0.00 H new ATOM 0 HB VAL A 35 11.043 2.316 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.727 2.546 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.346 1.930 12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.137 3.630 12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.527 4.051 10.899 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.869 5.221 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.265 4.538 9.355 1.00 0.00 H new ATOM 495 N GLY A 36 11.834 3.665 7.632 1.00 0.00 N ATOM 496 CA GLY A 36 11.567 4.258 6.333 1.00 0.00 C ATOM 497 C GLY A 36 10.194 4.931 6.309 1.00 0.00 C ATOM 498 O GLY A 36 9.869 5.718 7.197 1.00 0.00 O ATOM 0 H GLY A 36 11.393 2.758 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.339 4.991 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.612 3.489 5.562 1.00 0.00 H new ATOM 502 N ILE A 37 9.425 4.598 5.282 1.00 0.00 N ATOM 503 CA ILE A 37 8.094 5.161 5.131 1.00 0.00 C ATOM 504 C ILE A 37 7.094 4.033 4.873 1.00 0.00 C ATOM 505 O ILE A 37 7.416 3.055 4.200 1.00 0.00 O ATOM 506 CB ILE A 37 8.090 6.245 4.051 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.236 7.237 4.265 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.732 6.945 3.981 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.965 8.134 5.475 1.00 0.00 C ATOM 0 H ILE A 37 9.698 3.946 4.547 1.00 0.00 H new ATOM 0 HA ILE A 37 7.784 5.658 6.050 1.00 0.00 H new ATOM 0 HB ILE A 37 8.255 5.766 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.169 6.694 4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.362 7.851 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.757 7.711 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.958 6.215 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.512 7.409 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.794 8.830 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.044 8.694 5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.864 7.518 6.369 1.00 0.00 H new ATOM 521 N TYR A 38 5.900 4.206 5.421 1.00 0.00 N ATOM 522 CA TYR A 38 4.851 3.214 5.259 1.00 0.00 C ATOM 523 C TYR A 38 3.469 3.839 5.465 1.00 0.00 C ATOM 524 O TYR A 38 3.330 4.821 6.192 1.00 0.00 O ATOM 525 CB TYR A 38 5.090 2.165 6.347 1.00 0.00 C ATOM 526 CG TYR A 38 6.498 1.568 6.336 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.774 0.464 5.555 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.494 2.133 7.108 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.099 -0.098 5.545 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.819 1.571 7.097 1.00 0.00 C ATOM 531 CZ TYR A 38 9.057 0.483 6.316 1.00 0.00 C ATOM 532 OH TYR A 38 10.309 -0.048 6.307 1.00 0.00 O ATOM 0 H TYR A 38 5.636 5.019 5.978 1.00 0.00 H new ATOM 0 HA TYR A 38 4.877 2.789 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.906 2.618 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.364 1.361 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.995 0.022 4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.279 2.996 7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.327 -0.962 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.607 2.004 7.696 1.00 0.00 H new ATOM 0 HH TYR A 38 10.722 0.103 5.431 1.00 0.00 H new ATOM 542 N VAL A 39 2.483 3.244 4.811 1.00 0.00 N ATOM 543 CA VAL A 39 1.117 3.730 4.913 1.00 0.00 C ATOM 544 C VAL A 39 0.664 3.663 6.373 1.00 0.00 C ATOM 545 O VAL A 39 0.938 2.686 7.068 1.00 0.00 O ATOM 546 CB VAL A 39 0.208 2.939 3.969 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.244 3.407 4.087 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.701 3.038 2.524 1.00 0.00 C ATOM 0 H VAL A 39 2.602 2.430 4.208 1.00 0.00 H new ATOM 0 HA VAL A 39 1.059 4.773 4.602 1.00 0.00 H new ATOM 0 HB VAL A 39 0.247 1.891 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.869 2.829 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.591 3.262 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.308 4.464 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.038 2.467 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.705 4.082 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.711 2.635 2.456 1.00 0.00 H new ATOM 558 N SER A 40 -0.020 4.716 6.796 1.00 0.00 N ATOM 559 CA SER A 40 -0.514 4.789 8.160 1.00 0.00 C ATOM 560 C SER A 40 -2.034 4.620 8.177 1.00 0.00 C ATOM 561 O SER A 40 -2.579 3.961 9.062 1.00 0.00 O ATOM 562 CB SER A 40 -0.120 6.114 8.818 1.00 0.00 C ATOM 563 OG SER A 40 -1.259 6.879 9.200 1.00 0.00 O ATOM 0 H SER A 40 -0.244 5.526 6.218 1.00 0.00 H new ATOM 0 HA SER A 40 -0.059 3.980 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.494 5.914 9.696 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.491 6.694 8.127 1.00 0.00 H new ATOM 0 HG SER A 40 -0.973 7.772 9.484 1.00 0.00 H new ATOM 569 N LEU A 41 -2.676 5.226 7.189 1.00 0.00 N ATOM 570 CA LEU A 41 -4.123 5.150 7.080 1.00 0.00 C ATOM 571 C LEU A 41 -4.523 5.224 5.605 1.00 0.00 C ATOM 572 O LEU A 41 -3.928 5.976 4.834 1.00 0.00 O ATOM 573 CB LEU A 41 -4.783 6.221 7.951 1.00 0.00 C ATOM 574 CG LEU A 41 -6.288 6.413 7.751 1.00 0.00 C ATOM 575 CD1 LEU A 41 -7.000 6.591 9.094 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.570 7.574 6.795 1.00 0.00 C ATOM 0 H LEU A 41 -2.221 5.772 6.457 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.484 4.195 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.604 5.972 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.287 7.173 7.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.690 5.511 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.068 6.726 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.839 5.707 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.600 7.467 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.647 7.689 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.152 8.493 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.112 7.368 5.827 1.00 0.00 H new ATOM 588 N VAL A 42 -5.528 4.434 5.256 1.00 0.00 N ATOM 589 CA VAL A 42 -6.014 4.401 3.888 1.00 0.00 C ATOM 590 C VAL A 42 -7.544 4.397 3.894 1.00 0.00 C ATOM 591 O VAL A 42 -8.163 3.489 4.446 1.00 0.00 O ATOM 592 CB VAL A 42 -5.416 3.202 3.149 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.320 2.763 1.995 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.004 3.514 2.650 1.00 0.00 C ATOM 0 H VAL A 42 -6.019 3.812 5.898 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.694 5.292 3.348 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.347 2.374 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.872 1.909 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.298 2.480 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.435 3.586 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.602 2.645 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.039 4.363 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.364 3.756 3.498 1.00 0.00 H new ATOM 604 N GLU A 43 -8.110 5.423 3.275 1.00 0.00 N ATOM 605 CA GLU A 43 -9.555 5.549 3.202 1.00 0.00 C ATOM 606 C GLU A 43 -10.138 4.463 2.295 1.00 0.00 C ATOM 607 O GLU A 43 -9.616 4.209 1.211 1.00 0.00 O ATOM 608 CB GLU A 43 -9.961 6.943 2.719 1.00 0.00 C ATOM 609 CG GLU A 43 -10.036 7.927 3.888 1.00 0.00 C ATOM 610 CD GLU A 43 -11.444 8.513 4.021 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.717 9.503 3.309 1.00 0.00 O ATOM 612 OE2 GLU A 43 -12.215 7.957 4.833 1.00 0.00 O ATOM 0 H GLU A 43 -7.593 6.175 2.819 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.962 5.415 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.241 7.301 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.928 6.891 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.760 7.420 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.316 8.731 3.738 1.00 0.00 H new ATOM 619 N PRO A 44 -11.241 3.836 2.785 1.00 0.00 N ATOM 620 CA PRO A 44 -11.900 2.783 2.031 1.00 0.00 C ATOM 621 C PRO A 44 -12.706 3.365 0.868 1.00 0.00 C ATOM 622 O PRO A 44 -13.008 2.662 -0.095 1.00 0.00 O ATOM 623 CB PRO A 44 -12.765 2.054 3.046 1.00 0.00 C ATOM 624 CG PRO A 44 -12.918 3.005 4.223 1.00 0.00 C ATOM 625 CD PRO A 44 -11.886 4.110 4.066 1.00 0.00 C ATOM 0 HA PRO A 44 -11.195 2.096 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.736 1.800 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.298 1.119 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.924 3.423 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.770 2.475 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.355 5.094 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.165 4.097 4.883 1.00 0.00 H new ATOM 633 N GLY A 45 -13.030 4.643 0.995 1.00 0.00 N ATOM 634 CA GLY A 45 -13.795 5.327 -0.034 1.00 0.00 C ATOM 635 C GLY A 45 -12.929 6.352 -0.770 1.00 0.00 C ATOM 636 O GLY A 45 -13.433 7.370 -1.242 1.00 0.00 O ATOM 0 H GLY A 45 -12.777 5.223 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.187 4.600 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.652 5.827 0.417 1.00 0.00 H new ATOM 640 N SER A 46 -11.642 6.049 -0.843 1.00 0.00 N ATOM 641 CA SER A 46 -10.702 6.931 -1.513 1.00 0.00 C ATOM 642 C SER A 46 -10.159 6.256 -2.775 1.00 0.00 C ATOM 643 O SER A 46 -10.532 5.127 -3.088 1.00 0.00 O ATOM 644 CB SER A 46 -9.552 7.319 -0.582 1.00 0.00 C ATOM 645 OG SER A 46 -8.906 6.177 -0.026 1.00 0.00 O ATOM 0 H SER A 46 -11.228 5.204 -0.449 1.00 0.00 H new ATOM 0 HA SER A 46 -11.229 7.843 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.824 7.914 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.933 7.947 0.223 1.00 0.00 H new ATOM 0 HG SER A 46 -9.567 5.471 0.131 1.00 0.00 H new ATOM 651 N LEU A 47 -9.287 6.977 -3.464 1.00 0.00 N ATOM 652 CA LEU A 47 -8.689 6.463 -4.684 1.00 0.00 C ATOM 653 C LEU A 47 -7.541 5.517 -4.325 1.00 0.00 C ATOM 654 O LEU A 47 -7.437 4.423 -4.877 1.00 0.00 O ATOM 655 CB LEU A 47 -8.274 7.613 -5.604 1.00 0.00 C ATOM 656 CG LEU A 47 -7.602 7.211 -6.918 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.212 5.923 -7.475 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.654 8.355 -7.933 1.00 0.00 C ATOM 0 H LEU A 47 -8.980 7.913 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.417 5.881 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.160 8.203 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.593 8.264 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.551 7.008 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.716 5.660 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.079 5.116 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.276 6.074 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.169 8.043 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.693 8.614 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.137 9.225 -7.528 1.00 0.00 H new ATOM 670 N ALA A 48 -6.708 5.973 -3.401 1.00 0.00 N ATOM 671 CA ALA A 48 -5.572 5.182 -2.962 1.00 0.00 C ATOM 672 C ALA A 48 -6.021 3.738 -2.727 1.00 0.00 C ATOM 673 O ALA A 48 -5.428 2.804 -3.264 1.00 0.00 O ATOM 674 CB ALA A 48 -4.962 5.814 -1.709 1.00 0.00 C ATOM 0 H ALA A 48 -6.798 6.881 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.797 5.166 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.109 5.220 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.632 6.828 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.710 5.845 -0.917 1.00 0.00 H new ATOM 680 N GLU A 49 -7.066 3.601 -1.924 1.00 0.00 N ATOM 681 CA GLU A 49 -7.602 2.288 -1.611 1.00 0.00 C ATOM 682 C GLU A 49 -8.022 1.567 -2.894 1.00 0.00 C ATOM 683 O GLU A 49 -7.927 0.343 -2.982 1.00 0.00 O ATOM 684 CB GLU A 49 -8.774 2.392 -0.632 1.00 0.00 C ATOM 685 CG GLU A 49 -9.609 1.110 -0.638 1.00 0.00 C ATOM 686 CD GLU A 49 -10.565 1.085 -1.832 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.274 2.098 -2.013 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.566 0.052 -2.536 1.00 0.00 O ATOM 0 H GLU A 49 -7.556 4.378 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.819 1.704 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.397 2.580 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.403 3.241 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.950 0.243 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.177 1.037 0.289 1.00 0.00 H new ATOM 695 N LYS A 50 -8.478 2.355 -3.856 1.00 0.00 N ATOM 696 CA LYS A 50 -8.913 1.807 -5.129 1.00 0.00 C ATOM 697 C LYS A 50 -7.688 1.379 -5.940 1.00 0.00 C ATOM 698 O LYS A 50 -7.772 0.469 -6.763 1.00 0.00 O ATOM 699 CB LYS A 50 -9.817 2.802 -5.860 1.00 0.00 C ATOM 700 CG LYS A 50 -11.138 2.995 -5.112 1.00 0.00 C ATOM 701 CD LYS A 50 -11.945 4.148 -5.711 1.00 0.00 C ATOM 702 CE LYS A 50 -13.408 3.748 -5.910 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.918 4.271 -7.197 1.00 0.00 N ATOM 0 H LYS A 50 -8.556 3.369 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.520 0.915 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.306 3.760 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.016 2.444 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.722 2.076 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.938 3.195 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.888 5.016 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.511 4.442 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.500 2.662 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.012 4.134 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.912 3.990 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.848 5.309 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.353 3.882 -7.978 1.00 0.00 H new ATOM 717 N GLU A 51 -6.579 2.056 -5.679 1.00 0.00 N ATOM 718 CA GLU A 51 -5.339 1.757 -6.375 1.00 0.00 C ATOM 719 C GLU A 51 -4.700 0.491 -5.800 1.00 0.00 C ATOM 720 O GLU A 51 -3.853 -0.127 -6.442 1.00 0.00 O ATOM 721 CB GLU A 51 -4.372 2.940 -6.305 1.00 0.00 C ATOM 722 CG GLU A 51 -4.970 4.178 -6.977 1.00 0.00 C ATOM 723 CD GLU A 51 -5.230 3.922 -8.463 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.280 4.128 -9.249 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.373 3.526 -8.780 1.00 0.00 O ATOM 0 H GLU A 51 -6.513 2.810 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.568 1.580 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.140 3.163 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.433 2.676 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.902 4.450 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.290 5.022 -6.863 1.00 0.00 H new ATOM 732 N GLY A 52 -5.130 0.144 -4.595 1.00 0.00 N ATOM 733 CA GLY A 52 -4.610 -1.036 -3.926 1.00 0.00 C ATOM 734 C GLY A 52 -3.945 -0.666 -2.600 1.00 0.00 C ATOM 735 O GLY A 52 -3.849 -1.495 -1.696 1.00 0.00 O ATOM 0 H GLY A 52 -5.833 0.660 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.420 -1.743 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.888 -1.536 -4.572 1.00 0.00 H new ATOM 739 N LEU A 53 -3.502 0.580 -2.524 1.00 0.00 N ATOM 740 CA LEU A 53 -2.847 1.071 -1.323 1.00 0.00 C ATOM 741 C LEU A 53 -3.585 0.539 -0.093 1.00 0.00 C ATOM 742 O LEU A 53 -4.749 0.151 -0.182 1.00 0.00 O ATOM 743 CB LEU A 53 -2.733 2.596 -1.360 1.00 0.00 C ATOM 744 CG LEU A 53 -1.405 3.181 -0.872 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.408 3.314 -2.025 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.625 4.510 -0.148 1.00 0.00 C ATOM 0 H LEU A 53 -3.584 1.265 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.824 0.700 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.899 2.928 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.537 3.016 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.971 2.489 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.527 3.732 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.219 2.332 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.821 3.973 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.666 4.904 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.091 5.222 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.275 4.352 0.713 1.00 0.00 H new ATOM 758 N ARG A 54 -2.878 0.538 1.028 1.00 0.00 N ATOM 759 CA ARG A 54 -3.451 0.061 2.274 1.00 0.00 C ATOM 760 C ARG A 54 -2.378 0.004 3.364 1.00 0.00 C ATOM 761 O ARG A 54 -1.250 -0.413 3.108 1.00 0.00 O ATOM 762 CB ARG A 54 -4.067 -1.329 2.101 1.00 0.00 C ATOM 763 CG ARG A 54 -5.528 -1.342 2.554 1.00 0.00 C ATOM 764 CD ARG A 54 -5.629 -1.336 4.081 1.00 0.00 C ATOM 765 NE ARG A 54 -6.781 -2.158 4.515 1.00 0.00 N ATOM 766 CZ ARG A 54 -6.776 -3.497 4.553 1.00 0.00 C ATOM 767 NH1 ARG A 54 -5.681 -4.174 4.183 1.00 0.00 N ATOM 768 NH2 ARG A 54 -7.867 -4.160 4.960 1.00 0.00 N ATOM 0 H ARG A 54 -1.913 0.860 1.099 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.235 0.759 2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.004 -1.631 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.497 -2.057 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.046 -0.473 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.028 -2.225 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.709 -1.726 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.744 -0.314 4.442 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.632 -1.675 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.851 -3.670 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.678 -5.194 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.701 -3.645 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.863 -5.180 4.989 1.00 0.00 H new ATOM 782 N VAL A 55 -2.769 0.429 4.557 1.00 0.00 N ATOM 783 CA VAL A 55 -1.855 0.431 5.687 1.00 0.00 C ATOM 784 C VAL A 55 -1.058 -0.875 5.695 1.00 0.00 C ATOM 785 O VAL A 55 -1.633 -1.957 5.793 1.00 0.00 O ATOM 786 CB VAL A 55 -2.629 0.667 6.985 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.718 0.505 8.204 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.299 2.042 6.981 1.00 0.00 C ATOM 0 H VAL A 55 -3.706 0.774 4.765 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.139 1.248 5.598 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.413 -0.088 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.293 0.678 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.308 -0.505 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.903 1.226 8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.843 2.185 7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.539 2.817 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.994 2.106 6.143 1.00 0.00 H new ATOM 798 N GLY A 56 0.255 -0.730 5.590 1.00 0.00 N ATOM 799 CA GLY A 56 1.137 -1.884 5.584 1.00 0.00 C ATOM 800 C GLY A 56 2.186 -1.768 4.476 1.00 0.00 C ATOM 801 O GLY A 56 3.332 -2.175 4.656 1.00 0.00 O ATOM 0 H GLY A 56 0.729 0.169 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.633 -1.972 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.552 -2.793 5.442 1.00 0.00 H new ATOM 805 N ASP A 57 1.755 -1.210 3.354 1.00 0.00 N ATOM 806 CA ASP A 57 2.642 -1.035 2.217 1.00 0.00 C ATOM 807 C ASP A 57 3.914 -0.318 2.673 1.00 0.00 C ATOM 808 O ASP A 57 4.078 -0.031 3.858 1.00 0.00 O ATOM 809 CB ASP A 57 1.983 -0.182 1.131 1.00 0.00 C ATOM 810 CG ASP A 57 0.806 -0.846 0.412 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.774 -2.095 0.411 1.00 0.00 O ATOM 812 OD2 ASP A 57 -0.034 -0.089 -0.120 1.00 0.00 O ATOM 0 H ASP A 57 0.803 -0.873 3.208 1.00 0.00 H new ATOM 0 HA ASP A 57 2.870 -2.021 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.636 0.748 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.738 0.084 0.391 1.00 0.00 H new ATOM 817 N GLN A 58 4.782 -0.049 1.709 1.00 0.00 N ATOM 818 CA GLN A 58 6.034 0.629 1.997 1.00 0.00 C ATOM 819 C GLN A 58 6.377 1.612 0.876 1.00 0.00 C ATOM 820 O GLN A 58 6.670 1.202 -0.246 1.00 0.00 O ATOM 821 CB GLN A 58 7.167 -0.378 2.208 1.00 0.00 C ATOM 822 CG GLN A 58 8.496 0.337 2.461 1.00 0.00 C ATOM 823 CD GLN A 58 9.574 -0.653 2.908 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.496 -0.124 3.707 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.569 -1.819 2.550 1.00 0.00 N flip ATOM 0 H GLN A 58 4.643 -0.288 0.727 1.00 0.00 H new ATOM 0 HA GLN A 58 5.914 1.192 2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.931 -1.024 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.256 -1.019 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.818 0.846 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.361 1.103 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.830 -2.160 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.303 -2.453 2.866 1.00 0.00 H new ATOM 834 N ILE A 59 6.327 2.891 1.218 1.00 0.00 N ATOM 835 CA ILE A 59 6.628 3.936 0.253 1.00 0.00 C ATOM 836 C ILE A 59 8.126 3.922 -0.056 1.00 0.00 C ATOM 837 O ILE A 59 8.906 4.607 0.603 1.00 0.00 O ATOM 838 CB ILE A 59 6.116 5.288 0.752 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.653 5.193 1.191 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.328 6.377 -0.302 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.727 5.034 -0.017 1.00 0.00 C ATOM 0 H ILE A 59 6.083 3.228 2.149 1.00 0.00 H new ATOM 0 HA ILE A 59 6.107 3.750 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 59 6.698 5.571 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.526 4.346 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.378 6.088 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.955 7.328 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.391 6.466 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.788 6.113 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.693 4.969 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.838 5.895 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.989 4.125 -0.559 1.00 0.00 H new ATOM 853 N LEU A 60 8.483 3.133 -1.060 1.00 0.00 N ATOM 854 CA LEU A 60 9.874 3.021 -1.465 1.00 0.00 C ATOM 855 C LEU A 60 10.315 4.328 -2.125 1.00 0.00 C ATOM 856 O LEU A 60 11.404 4.830 -1.851 1.00 0.00 O ATOM 857 CB LEU A 60 10.077 1.787 -2.347 1.00 0.00 C ATOM 858 CG LEU A 60 9.401 0.501 -1.867 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.543 -0.614 -2.905 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.934 0.079 -0.497 1.00 0.00 C ATOM 0 H LEU A 60 7.833 2.566 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 60 10.514 2.871 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.710 2.016 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.147 1.600 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 60 8.335 0.699 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.054 -1.517 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.077 -0.302 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.600 -0.818 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.437 -0.838 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.008 -0.095 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.738 0.868 0.229 1.00 0.00 H new ATOM 872 N ARG A 61 9.447 4.843 -2.983 1.00 0.00 N ATOM 873 CA ARG A 61 9.734 6.083 -3.685 1.00 0.00 C ATOM 874 C ARG A 61 8.484 6.964 -3.739 1.00 0.00 C ATOM 875 O ARG A 61 7.383 6.505 -3.436 1.00 0.00 O ATOM 876 CB ARG A 61 10.218 5.809 -5.110 1.00 0.00 C ATOM 877 CG ARG A 61 11.718 5.506 -5.131 1.00 0.00 C ATOM 878 CD ARG A 61 12.093 4.678 -6.361 1.00 0.00 C ATOM 879 NE ARG A 61 13.384 3.991 -6.135 1.00 0.00 N ATOM 880 CZ ARG A 61 14.016 3.256 -7.059 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.481 3.109 -8.279 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.184 2.668 -6.765 1.00 0.00 N ATOM 0 H ARG A 61 8.545 4.424 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 61 10.523 6.599 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.667 4.967 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.009 6.673 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.281 6.439 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.996 4.966 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.313 3.945 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.164 5.324 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 61 13.820 4.083 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.593 3.557 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.962 2.549 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.592 2.780 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.665 2.108 -7.469 1.00 0.00 H new ATOM 896 N VAL A 62 8.695 8.213 -4.127 1.00 0.00 N ATOM 897 CA VAL A 62 7.600 9.162 -4.224 1.00 0.00 C ATOM 898 C VAL A 62 7.833 10.083 -5.423 1.00 0.00 C ATOM 899 O VAL A 62 8.792 10.853 -5.441 1.00 0.00 O ATOM 900 CB VAL A 62 7.448 9.924 -2.906 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.535 10.991 -2.762 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.053 10.541 -2.786 1.00 0.00 C ATOM 0 H VAL A 62 9.609 8.590 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 62 6.658 8.641 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 62 7.569 9.211 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.404 11.518 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.516 10.516 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.460 11.700 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.972 11.077 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.890 11.235 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.302 9.752 -2.821 1.00 0.00 H new ATOM 912 N ASN A 63 6.940 9.974 -6.396 1.00 0.00 N ATOM 913 CA ASN A 63 7.037 10.787 -7.596 1.00 0.00 C ATOM 914 C ASN A 63 8.153 10.240 -8.489 1.00 0.00 C ATOM 915 O ASN A 63 7.908 9.866 -9.635 1.00 0.00 O ATOM 916 CB ASN A 63 7.376 12.239 -7.251 1.00 0.00 C ATOM 917 CG ASN A 63 7.006 13.176 -8.402 1.00 0.00 C ATOM 918 OD1 ASN A 63 5.698 13.275 -8.620 1.00 0.00 O flip ATOM 919 ND2 ASN A 63 7.852 13.771 -9.050 1.00 0.00 N flip ATOM 0 H ASN A 63 6.146 9.335 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 63 6.074 10.752 -8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.842 12.537 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.441 12.326 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.841 13.650 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.570 14.389 -9.811 1.00 0.00 H new ATOM 926 N ASP A 64 9.354 10.210 -7.930 1.00 0.00 N ATOM 927 CA ASP A 64 10.507 9.715 -8.661 1.00 0.00 C ATOM 928 C ASP A 64 11.669 9.501 -7.688 1.00 0.00 C ATOM 929 O ASP A 64 12.349 8.477 -7.744 1.00 0.00 O ATOM 930 CB ASP A 64 10.959 10.720 -9.723 1.00 0.00 C ATOM 931 CG ASP A 64 12.177 10.290 -10.543 1.00 0.00 C ATOM 932 OD1 ASP A 64 13.279 10.265 -9.954 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.978 9.995 -11.742 1.00 0.00 O ATOM 0 H ASP A 64 9.553 10.521 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 64 10.223 8.781 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.128 10.905 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.186 11.667 -9.233 1.00 0.00 H new ATOM 938 N LYS A 65 11.860 10.482 -6.819 1.00 0.00 N ATOM 939 CA LYS A 65 12.927 10.414 -5.836 1.00 0.00 C ATOM 940 C LYS A 65 12.569 9.374 -4.772 1.00 0.00 C ATOM 941 O LYS A 65 11.393 9.148 -4.491 1.00 0.00 O ATOM 942 CB LYS A 65 13.219 11.802 -5.264 1.00 0.00 C ATOM 943 CG LYS A 65 13.819 12.720 -6.331 1.00 0.00 C ATOM 944 CD LYS A 65 14.984 13.533 -5.763 1.00 0.00 C ATOM 945 CE LYS A 65 14.639 15.023 -5.713 1.00 0.00 C ATOM 946 NZ LYS A 65 15.865 15.843 -5.836 1.00 0.00 N ATOM 0 H LYS A 65 11.293 11.329 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 65 13.855 10.086 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.299 12.241 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.908 11.715 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.165 12.124 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.051 13.394 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.226 13.178 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.872 13.382 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.947 15.269 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.132 15.254 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.613 16.851 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.512 15.620 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.332 15.635 -6.741 1.00 0.00 H new ATOM 960 N SER A 66 13.604 8.767 -4.210 1.00 0.00 N ATOM 961 CA SER A 66 13.413 7.757 -3.184 1.00 0.00 C ATOM 962 C SER A 66 13.503 8.396 -1.797 1.00 0.00 C ATOM 963 O SER A 66 14.275 9.330 -1.589 1.00 0.00 O ATOM 964 CB SER A 66 14.443 6.633 -3.319 1.00 0.00 C ATOM 965 OG SER A 66 15.699 6.990 -2.748 1.00 0.00 O ATOM 0 H SER A 66 14.578 8.956 -4.446 1.00 0.00 H new ATOM 0 HA SER A 66 12.422 7.322 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.065 5.734 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.579 6.391 -4.373 1.00 0.00 H new ATOM 0 HG SER A 66 16.329 6.247 -2.852 1.00 0.00 H new ATOM 971 N LEU A 67 12.703 7.866 -0.883 1.00 0.00 N ATOM 972 CA LEU A 67 12.683 8.373 0.478 1.00 0.00 C ATOM 973 C LEU A 67 13.696 7.597 1.322 1.00 0.00 C ATOM 974 O LEU A 67 13.403 7.216 2.455 1.00 0.00 O ATOM 975 CB LEU A 67 11.260 8.341 1.041 1.00 0.00 C ATOM 976 CG LEU A 67 10.164 8.887 0.124 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.790 8.352 0.534 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.195 10.416 0.083 1.00 0.00 C ATOM 0 H LEU A 67 12.064 7.091 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 67 12.986 9.420 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.014 7.310 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.245 8.910 1.971 1.00 0.00 H new ATOM 0 HG LEU A 67 10.358 8.534 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.029 8.755 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.789 7.264 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.572 8.655 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.406 10.778 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.039 10.810 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.162 10.750 -0.292 1.00 0.00 H new ATOM 990 N ALA A 68 14.866 7.385 0.738 1.00 0.00 N ATOM 991 CA ALA A 68 15.924 6.661 1.422 1.00 0.00 C ATOM 992 C ALA A 68 16.124 7.257 2.817 1.00 0.00 C ATOM 993 O ALA A 68 16.850 8.237 2.979 1.00 0.00 O ATOM 994 CB ALA A 68 17.200 6.706 0.580 1.00 0.00 C ATOM 0 H ALA A 68 15.105 7.702 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 68 15.653 5.613 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.994 6.163 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.013 6.245 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.504 7.743 0.436 1.00 0.00 H new ATOM 1000 N ARG A 69 15.468 6.641 3.789 1.00 0.00 N ATOM 1001 CA ARG A 69 15.565 7.098 5.165 1.00 0.00 C ATOM 1002 C ARG A 69 15.580 8.627 5.216 1.00 0.00 C ATOM 1003 O ARG A 69 16.644 9.243 5.165 1.00 0.00 O ATOM 1004 CB ARG A 69 16.830 6.559 5.836 1.00 0.00 C ATOM 1005 CG ARG A 69 16.493 5.438 6.821 1.00 0.00 C ATOM 1006 CD ARG A 69 17.680 4.490 7.000 1.00 0.00 C ATOM 1007 NE ARG A 69 18.017 4.367 8.436 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.011 3.605 8.912 1.00 0.00 C ATOM 1009 NH1 ARG A 69 19.773 2.894 8.069 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.245 3.554 10.230 1.00 0.00 N ATOM 0 H ARG A 69 14.867 5.829 3.651 1.00 0.00 H new ATOM 0 HA ARG A 69 14.694 6.722 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.518 6.186 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.341 7.367 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.217 5.867 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.629 4.880 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.438 3.510 6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.541 4.864 6.446 1.00 0.00 H new ATOM 0 HE ARG A 69 17.457 4.896 9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.596 2.933 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.530 2.314 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.666 4.095 10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.002 2.974 10.592 1.00 0.00 H new ATOM 1024 N VAL A 70 14.388 9.196 5.316 1.00 0.00 N ATOM 1025 CA VAL A 70 14.251 10.641 5.375 1.00 0.00 C ATOM 1026 C VAL A 70 13.213 11.008 6.437 1.00 0.00 C ATOM 1027 O VAL A 70 12.221 10.301 6.611 1.00 0.00 O ATOM 1028 CB VAL A 70 13.908 11.191 3.989 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.065 10.972 3.011 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.615 10.570 3.457 1.00 0.00 C ATOM 0 H VAL A 70 13.508 8.682 5.358 1.00 0.00 H new ATOM 0 HA VAL A 70 15.194 11.102 5.669 1.00 0.00 H new ATOM 0 HB VAL A 70 13.749 12.265 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.796 11.372 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.955 11.483 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.270 9.905 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.394 10.978 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.734 9.489 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.794 10.800 4.137 1.00 0.00 H new ATOM 1040 N THR A 71 13.476 12.113 7.120 1.00 0.00 N ATOM 1041 CA THR A 71 12.577 12.582 8.160 1.00 0.00 C ATOM 1042 C THR A 71 11.136 12.610 7.646 1.00 0.00 C ATOM 1043 O THR A 71 10.899 12.858 6.465 1.00 0.00 O ATOM 1044 CB THR A 71 13.078 13.946 8.638 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.510 14.595 7.446 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.348 13.839 9.485 1.00 0.00 C ATOM 0 H THR A 71 14.299 12.697 6.973 1.00 0.00 H new ATOM 0 HA THR A 71 12.572 11.904 9.014 1.00 0.00 H new ATOM 0 HB THR A 71 12.296 14.437 9.217 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.849 15.488 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.661 14.835 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.148 13.228 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.141 13.378 8.896 1.00 0.00 H new ATOM 1054 N HIS A 72 10.211 12.353 8.559 1.00 0.00 N ATOM 1055 CA HIS A 72 8.800 12.346 8.214 1.00 0.00 C ATOM 1056 C HIS A 72 8.451 13.626 7.452 1.00 0.00 C ATOM 1057 O HIS A 72 7.562 13.625 6.602 1.00 0.00 O ATOM 1058 CB HIS A 72 7.936 12.144 9.460 1.00 0.00 C ATOM 1059 CG HIS A 72 6.603 11.490 9.184 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.396 12.073 9.531 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.299 10.300 8.591 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.417 11.261 9.160 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.979 10.162 8.578 1.00 0.00 N ATOM 0 H HIS A 72 10.412 12.148 9.538 1.00 0.00 H new ATOM 0 HA HIS A 72 8.588 11.503 7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.487 11.534 10.176 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.764 13.112 9.931 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.280 12.975 9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.012 9.590 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.360 11.438 9.295 1.00 0.00 H new ATOM 1071 N ALA A 73 9.170 14.688 7.785 1.00 0.00 N ATOM 1072 CA ALA A 73 8.948 15.973 7.143 1.00 0.00 C ATOM 1073 C ALA A 73 9.449 15.910 5.698 1.00 0.00 C ATOM 1074 O ALA A 73 8.862 16.521 4.807 1.00 0.00 O ATOM 1075 CB ALA A 73 9.638 17.074 7.951 1.00 0.00 C ATOM 0 H ALA A 73 9.906 14.685 8.491 1.00 0.00 H new ATOM 0 HA ALA A 73 7.884 16.208 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.471 18.038 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.227 17.097 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.708 16.873 8.000 1.00 0.00 H new ATOM 1081 N GLU A 74 10.529 15.165 5.512 1.00 0.00 N ATOM 1082 CA GLU A 74 11.115 15.014 4.191 1.00 0.00 C ATOM 1083 C GLU A 74 10.161 14.249 3.271 1.00 0.00 C ATOM 1084 O GLU A 74 9.796 14.740 2.204 1.00 0.00 O ATOM 1085 CB GLU A 74 12.475 14.318 4.271 1.00 0.00 C ATOM 1086 CG GLU A 74 13.588 15.323 4.573 1.00 0.00 C ATOM 1087 CD GLU A 74 13.750 16.324 3.427 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.586 15.888 2.267 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.032 17.501 3.737 1.00 0.00 O ATOM 0 H GLU A 74 11.013 14.660 6.254 1.00 0.00 H new ATOM 0 HA GLU A 74 11.276 16.007 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.451 13.553 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.684 13.811 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.361 15.856 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.527 14.793 4.733 1.00 0.00 H new ATOM 1096 N ALA A 75 9.785 13.060 3.719 1.00 0.00 N ATOM 1097 CA ALA A 75 8.880 12.223 2.949 1.00 0.00 C ATOM 1098 C ALA A 75 7.658 13.045 2.537 1.00 0.00 C ATOM 1099 O ALA A 75 7.322 13.115 1.356 1.00 0.00 O ATOM 1100 CB ALA A 75 8.503 10.989 3.771 1.00 0.00 C ATOM 0 H ALA A 75 10.090 12.657 4.605 1.00 0.00 H new ATOM 0 HA ALA A 75 9.363 11.872 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.824 10.361 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.403 10.424 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.013 11.302 4.693 1.00 0.00 H new ATOM 1106 N VAL A 76 7.026 13.647 3.534 1.00 0.00 N ATOM 1107 CA VAL A 76 5.847 14.462 3.290 1.00 0.00 C ATOM 1108 C VAL A 76 6.183 15.539 2.257 1.00 0.00 C ATOM 1109 O VAL A 76 5.494 15.672 1.247 1.00 0.00 O ATOM 1110 CB VAL A 76 5.328 15.038 4.608 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.066 15.873 4.382 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.074 13.928 5.630 1.00 0.00 C ATOM 0 H VAL A 76 7.308 13.587 4.512 1.00 0.00 H new ATOM 0 HA VAL A 76 5.041 13.855 2.877 1.00 0.00 H new ATOM 0 HB VAL A 76 6.098 15.696 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.718 16.271 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.291 16.697 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.289 15.247 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.706 14.365 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.332 13.234 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.004 13.393 5.825 1.00 0.00 H new ATOM 1122 N LYS A 77 7.241 16.282 2.546 1.00 0.00 N ATOM 1123 CA LYS A 77 7.676 17.344 1.655 1.00 0.00 C ATOM 1124 C LYS A 77 7.863 16.778 0.246 1.00 0.00 C ATOM 1125 O LYS A 77 7.837 17.520 -0.734 1.00 0.00 O ATOM 1126 CB LYS A 77 8.924 18.033 2.211 1.00 0.00 C ATOM 1127 CG LYS A 77 8.546 19.140 3.198 1.00 0.00 C ATOM 1128 CD LYS A 77 8.593 20.513 2.525 1.00 0.00 C ATOM 1129 CE LYS A 77 8.585 21.634 3.566 1.00 0.00 C ATOM 1130 NZ LYS A 77 8.795 22.947 2.915 1.00 0.00 N ATOM 0 H LYS A 77 7.810 16.170 3.385 1.00 0.00 H new ATOM 0 HA LYS A 77 6.914 18.121 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.558 17.299 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.506 18.455 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.545 18.957 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.229 19.124 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.489 20.590 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.738 20.625 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.636 21.635 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.367 21.458 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.787 23.697 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.712 22.948 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.034 23.119 2.227 1.00 0.00 H new ATOM 1144 N ALA A 78 8.047 15.467 0.190 1.00 0.00 N ATOM 1145 CA ALA A 78 8.237 14.792 -1.083 1.00 0.00 C ATOM 1146 C ALA A 78 6.874 14.402 -1.657 1.00 0.00 C ATOM 1147 O ALA A 78 6.647 14.520 -2.861 1.00 0.00 O ATOM 1148 CB ALA A 78 9.155 13.583 -0.887 1.00 0.00 C ATOM 0 H ALA A 78 8.069 14.854 1.005 1.00 0.00 H new ATOM 0 HA ALA A 78 8.719 15.455 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.298 13.076 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.120 13.917 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.702 12.894 -0.175 1.00 0.00 H new ATOM 1154 N LEU A 79 6.003 13.944 -0.771 1.00 0.00 N ATOM 1155 CA LEU A 79 4.668 13.536 -1.175 1.00 0.00 C ATOM 1156 C LEU A 79 3.929 14.738 -1.766 1.00 0.00 C ATOM 1157 O LEU A 79 3.671 14.784 -2.968 1.00 0.00 O ATOM 1158 CB LEU A 79 3.933 12.876 -0.007 1.00 0.00 C ATOM 1159 CG LEU A 79 4.221 11.389 0.212 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.866 10.966 1.639 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.506 10.532 -0.834 1.00 0.00 C ATOM 0 H LEU A 79 6.195 13.846 0.226 1.00 0.00 H new ATOM 0 HA LEU A 79 4.722 12.778 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.187 13.413 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.861 12.999 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 79 5.291 11.226 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.080 9.905 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.458 11.545 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.806 11.147 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.728 9.480 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.430 10.693 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.850 10.811 -1.830 1.00 0.00 H new ATOM 1257 N LEU A 85 1.423 12.558 -9.342 1.00 0.00 N ATOM 1258 CA LEU A 85 2.142 11.987 -8.216 1.00 0.00 C ATOM 1259 C LEU A 85 2.048 10.461 -8.277 1.00 0.00 C ATOM 1260 O LEU A 85 0.972 9.894 -8.093 1.00 0.00 O ATOM 1261 CB LEU A 85 1.637 12.581 -6.900 1.00 0.00 C ATOM 1262 CG LEU A 85 2.195 11.953 -5.622 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.660 11.550 -5.804 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.001 12.884 -4.423 1.00 0.00 C ATOM 0 HA LEU A 85 3.200 12.245 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.873 13.645 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.551 12.495 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 85 1.633 11.042 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.033 11.106 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.740 10.825 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.252 12.432 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.406 12.413 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.520 13.825 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.938 13.078 -4.281 1.00 0.00 H new ATOM 1276 N VAL A 86 3.189 9.839 -8.537 1.00 0.00 N ATOM 1277 CA VAL A 86 3.249 8.390 -8.625 1.00 0.00 C ATOM 1278 C VAL A 86 3.836 7.829 -7.329 1.00 0.00 C ATOM 1279 O VAL A 86 5.048 7.870 -7.123 1.00 0.00 O ATOM 1280 CB VAL A 86 4.037 7.974 -9.868 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.460 6.506 -9.783 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.233 8.239 -11.142 1.00 0.00 C ATOM 0 H VAL A 86 4.079 10.313 -8.690 1.00 0.00 H new ATOM 0 HA VAL A 86 2.249 7.972 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 86 4.941 8.582 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.019 6.236 -10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.089 6.359 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.574 5.876 -9.704 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.817 7.934 -12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.304 7.670 -11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.005 9.302 -11.213 1.00 0.00 H new ATOM 1292 N LEU A 87 2.950 7.316 -6.488 1.00 0.00 N ATOM 1293 CA LEU A 87 3.365 6.747 -5.217 1.00 0.00 C ATOM 1294 C LEU A 87 3.964 5.360 -5.456 1.00 0.00 C ATOM 1295 O LEU A 87 3.297 4.475 -5.990 1.00 0.00 O ATOM 1296 CB LEU A 87 2.203 6.752 -4.222 1.00 0.00 C ATOM 1297 CG LEU A 87 1.472 8.086 -4.051 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.461 9.253 -4.019 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.404 8.268 -5.132 1.00 0.00 C ATOM 0 H LEU A 87 1.946 7.283 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 87 4.145 7.358 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.478 6.001 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.583 6.441 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 87 0.958 8.074 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.916 10.189 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.150 9.123 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.023 9.280 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.101 9.223 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.875 8.251 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.324 7.459 -5.064 1.00 0.00 H new ATOM 1311 N SER A 88 5.216 5.213 -5.049 1.00 0.00 N ATOM 1312 CA SER A 88 5.912 3.948 -5.212 1.00 0.00 C ATOM 1313 C SER A 88 5.794 3.117 -3.933 1.00 0.00 C ATOM 1314 O SER A 88 6.357 3.477 -2.900 1.00 0.00 O ATOM 1315 CB SER A 88 7.384 4.171 -5.566 1.00 0.00 C ATOM 1316 OG SER A 88 7.552 4.571 -6.923 1.00 0.00 O ATOM 0 H SER A 88 5.767 5.949 -4.607 1.00 0.00 H new ATOM 0 HA SER A 88 5.446 3.405 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.803 4.933 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.943 3.253 -5.387 1.00 0.00 H new ATOM 0 HG SER A 88 8.420 4.256 -7.252 1.00 0.00 H new ATOM 1322 N VAL A 89 5.059 2.020 -4.044 1.00 0.00 N ATOM 1323 CA VAL A 89 4.860 1.135 -2.909 1.00 0.00 C ATOM 1324 C VAL A 89 5.163 -0.304 -3.331 1.00 0.00 C ATOM 1325 O VAL A 89 5.115 -0.631 -4.516 1.00 0.00 O ATOM 1326 CB VAL A 89 3.446 1.309 -2.352 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.425 2.340 -1.222 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.462 1.690 -3.460 1.00 0.00 C ATOM 0 H VAL A 89 4.594 1.724 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 89 5.547 1.389 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 89 3.129 0.352 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.408 2.445 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.080 2.010 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.772 3.302 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.465 1.807 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.775 2.629 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.445 0.906 -4.217 1.00 0.00 H new ATOM 1338 N TYR A 90 5.468 -1.127 -2.338 1.00 0.00 N ATOM 1339 CA TYR A 90 5.778 -2.523 -2.592 1.00 0.00 C ATOM 1340 C TYR A 90 4.791 -3.444 -1.871 1.00 0.00 C ATOM 1341 O TYR A 90 4.565 -3.300 -0.671 1.00 0.00 O ATOM 1342 CB TYR A 90 7.180 -2.753 -2.024 1.00 0.00 C ATOM 1343 CG TYR A 90 7.493 -4.218 -1.714 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.707 -5.111 -2.744 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.563 -4.647 -0.404 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.002 -6.490 -2.453 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.857 -6.026 -0.112 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.062 -6.880 -1.151 1.00 0.00 C ATOM 1349 OH TYR A 90 8.341 -8.182 -0.876 1.00 0.00 O ATOM 0 H TYR A 90 5.507 -0.853 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 90 5.717 -2.742 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.915 -2.378 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.292 -2.167 -1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.653 -4.775 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.397 -3.948 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.172 -7.199 -3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.913 -6.374 0.909 1.00 0.00 H new ATOM 0 HH TYR A 90 8.353 -8.316 0.095 1.00 0.00 H new ATOM 1359 N SER A 91 4.231 -4.371 -2.634 1.00 0.00 N ATOM 1360 CA SER A 91 3.273 -5.315 -2.084 1.00 0.00 C ATOM 1361 C SER A 91 3.915 -6.698 -1.960 1.00 0.00 C ATOM 1362 O SER A 91 4.909 -6.988 -2.625 1.00 0.00 O ATOM 1363 CB SER A 91 2.013 -5.390 -2.948 1.00 0.00 C ATOM 1364 OG SER A 91 0.903 -5.921 -2.230 1.00 0.00 O ATOM 0 H SER A 91 4.422 -4.489 -3.629 1.00 0.00 H new ATOM 0 HA SER A 91 2.980 -4.967 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.765 -4.394 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.210 -6.011 -3.822 1.00 0.00 H new ATOM 0 HG SER A 91 0.118 -5.951 -2.816 1.00 0.00 H new