USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 67 THR OG1 : rot 180:sc= -0.2 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -153:sc= 0.77 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.122 F(o=-0.8,f=-0.12) USER MOD Single : A 76 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.512 8.182 -7.037 1.00 0.00 N ATOM 21 CA VAL A 2 -7.607 7.652 -5.974 1.00 0.00 C ATOM 22 C VAL A 2 -6.530 6.754 -6.588 1.00 0.00 C ATOM 23 O VAL A 2 -6.805 5.930 -7.437 1.00 0.00 O ATOM 24 CB VAL A 2 -8.512 6.837 -5.050 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.699 6.340 -3.853 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.662 7.716 -4.555 1.00 0.00 C ATOM 0 HA VAL A 2 -7.090 8.451 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.917 5.985 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.342 5.759 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.879 5.714 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.296 7.193 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.307 7.134 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.259 8.569 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.241 8.072 -5.407 1.00 0.00 H new ATOM 36 N LYS A 3 -5.305 6.907 -6.165 1.00 0.00 N ATOM 37 CA LYS A 3 -4.210 6.059 -6.723 1.00 0.00 C ATOM 38 C LYS A 3 -3.239 5.647 -5.612 1.00 0.00 C ATOM 39 O LYS A 3 -2.908 6.432 -4.745 1.00 0.00 O ATOM 40 CB LYS A 3 -3.498 6.951 -7.741 1.00 0.00 C ATOM 41 CG LYS A 3 -4.108 6.737 -9.126 1.00 0.00 C ATOM 42 CD LYS A 3 -4.152 8.070 -9.878 1.00 0.00 C ATOM 43 CE LYS A 3 -5.489 8.197 -10.611 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.311 9.350 -11.539 1.00 0.00 N ATOM 0 H LYS A 3 -5.014 7.582 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.590 5.142 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.590 7.997 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.433 6.718 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.519 6.011 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.114 6.327 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.027 8.898 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.328 8.126 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.728 7.284 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.307 8.375 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.188 9.500 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.091 10.206 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.530 9.149 -12.196 1.00 0.00 H new ATOM 58 N ILE A 4 -2.769 4.428 -5.637 1.00 0.00 N ATOM 59 CA ILE A 4 -1.809 3.984 -4.589 1.00 0.00 C ATOM 60 C ILE A 4 -0.409 3.842 -5.196 1.00 0.00 C ATOM 61 O ILE A 4 -0.241 3.293 -6.266 1.00 0.00 O ATOM 62 CB ILE A 4 -2.335 2.645 -4.081 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.677 2.855 -3.380 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.336 2.043 -3.091 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.346 1.501 -3.159 1.00 0.00 C ATOM 0 H ILE A 4 -3.008 3.724 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.728 4.700 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.466 1.967 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.527 3.360 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.319 3.497 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.714 1.087 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.378 1.890 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.204 2.723 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.304 1.646 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.508 1.014 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.704 0.875 -2.539 1.00 0.00 H new ATOM 77 N ARG A 5 0.595 4.338 -4.522 1.00 0.00 N ATOM 78 CA ARG A 5 1.979 4.240 -5.060 1.00 0.00 C ATOM 79 C ARG A 5 2.988 4.194 -3.911 1.00 0.00 C ATOM 80 O ARG A 5 2.631 3.945 -2.779 1.00 0.00 O ATOM 81 CB ARG A 5 2.177 5.494 -5.913 1.00 0.00 C ATOM 82 CG ARG A 5 2.026 6.743 -5.042 1.00 0.00 C ATOM 83 CD ARG A 5 3.085 7.773 -5.443 1.00 0.00 C ATOM 84 NE ARG A 5 2.420 8.634 -6.465 1.00 0.00 N ATOM 85 CZ ARG A 5 3.129 9.361 -7.297 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.438 9.358 -7.250 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.519 10.102 -8.182 1.00 0.00 N ATOM 0 H ARG A 5 0.514 4.807 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 5 2.128 3.334 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.164 5.479 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.447 5.513 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.028 7.165 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.137 6.482 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.410 8.360 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.972 7.289 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 5 1.402 8.658 -6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.922 8.785 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.973 9.929 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.500 10.113 -8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.062 10.670 -8.833 1.00 0.00 H new ATOM 101 N LEU A 6 4.243 4.434 -4.185 1.00 0.00 N ATOM 102 CA LEU A 6 5.257 4.390 -3.085 1.00 0.00 C ATOM 103 C LEU A 6 5.404 5.757 -2.422 1.00 0.00 C ATOM 104 O LEU A 6 5.468 6.780 -3.075 1.00 0.00 O ATOM 105 CB LEU A 6 6.584 3.997 -3.739 1.00 0.00 C ATOM 106 CG LEU A 6 6.388 2.772 -4.622 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.725 2.368 -5.245 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.844 1.614 -3.784 1.00 0.00 C ATOM 0 H LEU A 6 4.609 4.656 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 6 4.954 3.682 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.965 4.827 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.329 3.787 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 6 5.677 3.010 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.582 1.491 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.109 3.191 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.439 2.134 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.705 0.739 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.551 1.377 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.888 1.900 -3.346 1.00 0.00 H new ATOM 120 N ALA A 7 5.456 5.770 -1.124 1.00 0.00 N ATOM 121 CA ALA A 7 5.600 7.056 -0.383 1.00 0.00 C ATOM 122 C ALA A 7 7.012 7.203 0.186 1.00 0.00 C ATOM 123 O ALA A 7 7.358 6.570 1.156 1.00 0.00 O ATOM 124 CB ALA A 7 4.592 6.944 0.753 1.00 0.00 C ATOM 0 H ALA A 7 5.405 4.938 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 7 5.430 7.922 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.624 7.850 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.591 6.819 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.838 6.083 1.375 1.00 0.00 H new ATOM 130 N ARG A 8 7.828 8.033 -0.404 1.00 0.00 N ATOM 131 CA ARG A 8 9.214 8.203 0.117 1.00 0.00 C ATOM 132 C ARG A 8 9.225 9.047 1.396 1.00 0.00 C ATOM 133 O ARG A 8 8.790 10.181 1.411 1.00 0.00 O ATOM 134 CB ARG A 8 9.979 8.914 -1.000 1.00 0.00 C ATOM 135 CG ARG A 8 11.471 8.934 -0.661 1.00 0.00 C ATOM 136 CD ARG A 8 12.291 8.863 -1.951 1.00 0.00 C ATOM 137 NE ARG A 8 12.519 10.284 -2.343 1.00 0.00 N ATOM 138 CZ ARG A 8 13.440 11.008 -1.749 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.176 10.509 -0.789 1.00 0.00 N ATOM 140 NH2 ARG A 8 13.621 12.247 -2.121 1.00 0.00 N ATOM 0 H ARG A 8 7.596 8.599 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 8 9.663 7.245 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.817 8.403 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.608 9.932 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.717 9.842 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.719 8.093 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.235 8.342 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.755 8.320 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 8 11.952 10.699 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.039 9.543 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.887 11.086 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.050 12.644 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.334 12.817 -1.666 1.00 0.00 H new ATOM 276 N TYR A 17 9.722 3.104 0.966 1.00 0.00 N ATOM 277 CA TYR A 17 8.471 3.837 0.702 1.00 0.00 C ATOM 278 C TYR A 17 7.310 2.977 1.145 1.00 0.00 C ATOM 279 O TYR A 17 7.404 1.769 1.126 1.00 0.00 O ATOM 280 CB TYR A 17 8.358 3.991 -0.809 1.00 0.00 C ATOM 281 CG TYR A 17 9.630 4.485 -1.436 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.542 5.245 -0.706 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.876 4.192 -2.778 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.703 5.710 -1.316 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.032 4.655 -3.394 1.00 0.00 C ATOM 286 CZ TYR A 17 11.954 5.418 -2.664 1.00 0.00 C ATOM 287 OH TYR A 17 13.107 5.881 -3.270 1.00 0.00 O ATOM 0 HA TYR A 17 8.465 4.797 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.089 3.031 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.550 4.685 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.348 5.473 0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.166 3.603 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.412 6.297 -0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.220 4.428 -4.433 1.00 0.00 H new ATOM 0 HH TYR A 17 13.125 5.588 -4.205 1.00 0.00 H new ATOM 297 N ARG A 18 6.199 3.553 1.475 1.00 0.00 N ATOM 298 CA ARG A 18 5.052 2.688 1.821 1.00 0.00 C ATOM 299 C ARG A 18 4.103 2.711 0.632 1.00 0.00 C ATOM 300 O ARG A 18 4.204 3.566 -0.228 1.00 0.00 O ATOM 301 CB ARG A 18 4.441 3.232 3.134 1.00 0.00 C ATOM 302 CG ARG A 18 3.167 4.054 2.882 1.00 0.00 C ATOM 303 CD ARG A 18 2.658 4.642 4.204 1.00 0.00 C ATOM 304 NE ARG A 18 2.521 3.473 5.126 1.00 0.00 N ATOM 305 CZ ARG A 18 3.486 3.136 5.954 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.620 3.790 5.984 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.313 2.118 6.753 1.00 0.00 N ATOM 0 H ARG A 18 6.036 4.559 1.520 1.00 0.00 H new ATOM 0 HA ARG A 18 5.317 1.647 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.209 2.399 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.177 3.852 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.375 4.855 2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.399 3.423 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.356 5.378 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.703 5.150 4.067 1.00 0.00 H new ATOM 0 HE ARG A 18 1.661 2.925 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.770 4.580 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.353 3.510 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.438 1.595 6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.053 1.846 7.400 1.00 0.00 H new ATOM 321 N ILE A 19 3.185 1.809 0.570 1.00 0.00 N ATOM 322 CA ILE A 19 2.247 1.814 -0.562 1.00 0.00 C ATOM 323 C ILE A 19 1.010 2.504 -0.028 1.00 0.00 C ATOM 324 O ILE A 19 0.116 1.903 0.535 1.00 0.00 O ATOM 325 CB ILE A 19 1.994 0.352 -0.965 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.080 -0.599 -0.411 1.00 0.00 C ATOM 327 CG2 ILE A 19 2.023 0.262 -2.490 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.926 -1.999 -1.015 1.00 0.00 C ATOM 0 H ILE A 19 3.043 1.067 1.255 1.00 0.00 H new ATOM 0 HA ILE A 19 2.603 2.330 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 19 1.030 0.051 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.069 -0.204 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.004 -0.655 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.845 -0.769 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.247 0.904 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.997 0.587 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.698 -2.655 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.944 -2.398 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.026 -1.941 -2.099 1.00 0.00 H new ATOM 340 N VAL A 20 1.032 3.800 -0.123 1.00 0.00 N ATOM 341 CA VAL A 20 -0.043 4.626 0.453 1.00 0.00 C ATOM 342 C VAL A 20 -1.070 5.028 -0.615 1.00 0.00 C ATOM 343 O VAL A 20 -0.876 4.812 -1.795 1.00 0.00 O ATOM 344 CB VAL A 20 0.756 5.814 1.042 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.702 7.051 0.146 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.221 6.161 2.424 1.00 0.00 C ATOM 0 H VAL A 20 1.771 4.328 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.656 4.128 1.204 1.00 0.00 H new ATOM 0 HB VAL A 20 1.798 5.502 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.277 7.856 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.124 6.812 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.334 7.368 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.787 6.998 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.831 6.437 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.323 5.297 3.081 1.00 0.00 H new ATOM 356 N VAL A 21 -2.182 5.565 -0.195 1.00 0.00 N ATOM 357 CA VAL A 21 -3.252 5.931 -1.163 1.00 0.00 C ATOM 358 C VAL A 21 -3.441 7.449 -1.211 1.00 0.00 C ATOM 359 O VAL A 21 -4.001 8.040 -0.311 1.00 0.00 O ATOM 360 CB VAL A 21 -4.544 5.261 -0.642 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.372 4.786 -1.829 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.245 4.046 0.241 1.00 0.00 C ATOM 0 H VAL A 21 -2.396 5.767 0.782 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.999 5.602 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.081 6.001 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.285 4.312 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.629 5.638 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.795 4.067 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.181 3.607 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.687 3.307 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.653 4.358 1.102 1.00 0.00 H new ATOM 372 N THR A 22 -2.993 8.083 -2.259 1.00 0.00 N ATOM 373 CA THR A 22 -3.166 9.566 -2.358 1.00 0.00 C ATOM 374 C THR A 22 -3.997 9.900 -3.601 1.00 0.00 C ATOM 375 O THR A 22 -3.854 9.287 -4.639 1.00 0.00 O ATOM 376 CB THR A 22 -1.748 10.206 -2.446 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.545 10.768 -3.736 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.636 9.181 -2.174 1.00 0.00 C ATOM 0 H THR A 22 -2.517 7.645 -3.048 1.00 0.00 H new ATOM 0 HA THR A 22 -3.691 9.960 -1.487 1.00 0.00 H new ATOM 0 HB THR A 22 -1.699 10.981 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.652 11.169 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.335 9.670 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.760 8.766 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.693 8.378 -2.909 1.00 0.00 H new ATOM 543 N TYR A 32 -1.796 11.830 1.541 1.00 0.00 N ATOM 544 CA TYR A 32 -2.633 10.703 1.031 1.00 0.00 C ATOM 545 C TYR A 32 -3.908 10.565 1.863 1.00 0.00 C ATOM 546 O TYR A 32 -4.165 11.336 2.766 1.00 0.00 O ATOM 547 CB TYR A 32 -1.776 9.435 1.163 1.00 0.00 C ATOM 548 CG TYR A 32 -1.074 9.407 2.504 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.818 9.271 3.682 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.321 9.521 2.567 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.168 9.247 4.921 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.971 9.496 3.807 1.00 0.00 C ATOM 553 CZ TYR A 32 0.227 9.359 4.983 1.00 0.00 C ATOM 554 OH TYR A 32 0.867 9.335 6.206 1.00 0.00 O ATOM 0 HA TYR A 32 -2.935 10.874 -0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.405 8.551 1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.040 9.401 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.893 9.185 3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.895 9.628 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.742 9.142 5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.046 9.582 3.855 1.00 0.00 H new ATOM 0 HH TYR A 32 1.834 9.423 6.071 1.00 0.00 H new ATOM 564 N ILE A 33 -4.708 9.580 1.560 1.00 0.00 N ATOM 565 CA ILE A 33 -5.972 9.377 2.322 1.00 0.00 C ATOM 566 C ILE A 33 -5.733 8.415 3.487 1.00 0.00 C ATOM 567 O ILE A 33 -6.080 8.692 4.617 1.00 0.00 O ATOM 568 CB ILE A 33 -6.938 8.764 1.310 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.163 9.749 0.161 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.273 8.462 1.992 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.253 8.980 -1.158 1.00 0.00 C ATOM 0 H ILE A 33 -4.540 8.905 0.814 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.357 10.303 2.749 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.515 7.839 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.079 10.316 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.346 10.469 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.961 8.025 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.113 7.760 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.698 9.386 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.413 9.681 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.325 8.433 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.085 8.277 -1.113 1.00 0.00 H new ATOM 583 N GLU A 34 -5.143 7.284 3.215 1.00 0.00 N ATOM 584 CA GLU A 34 -4.880 6.298 4.301 1.00 0.00 C ATOM 585 C GLU A 34 -3.626 5.483 3.976 1.00 0.00 C ATOM 586 O GLU A 34 -3.162 5.463 2.855 1.00 0.00 O ATOM 587 CB GLU A 34 -6.113 5.393 4.317 1.00 0.00 C ATOM 588 CG GLU A 34 -6.747 5.413 5.708 1.00 0.00 C ATOM 589 CD GLU A 34 -8.122 4.745 5.651 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.908 5.126 4.799 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.365 3.862 6.457 1.00 0.00 O ATOM 0 H GLU A 34 -4.831 7.000 2.286 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.711 6.777 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.834 5.731 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.832 4.374 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.106 4.891 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.844 6.440 6.061 1.00 0.00 H new ATOM 598 N LYS A 35 -3.081 4.800 4.944 1.00 0.00 N ATOM 599 CA LYS A 35 -1.867 3.975 4.679 1.00 0.00 C ATOM 600 C LYS A 35 -2.272 2.501 4.586 1.00 0.00 C ATOM 601 O LYS A 35 -2.774 1.925 5.531 1.00 0.00 O ATOM 602 CB LYS A 35 -0.931 4.230 5.869 1.00 0.00 C ATOM 603 CG LYS A 35 -1.509 3.613 7.149 1.00 0.00 C ATOM 604 CD LYS A 35 -0.772 4.180 8.366 1.00 0.00 C ATOM 605 CE LYS A 35 -1.771 4.411 9.507 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.296 5.801 9.322 1.00 0.00 N ATOM 0 H LYS A 35 -3.422 4.777 5.905 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.374 4.231 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.051 3.804 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.791 5.302 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.575 3.831 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.407 2.528 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.009 3.490 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.281 5.117 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.579 3.681 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.287 4.303 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.983 6.015 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.509 6.479 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.761 5.876 8.395 1.00 0.00 H new ATOM 620 N ILE A 36 -2.088 1.890 3.447 1.00 0.00 N ATOM 621 CA ILE A 36 -2.502 0.461 3.309 1.00 0.00 C ATOM 622 C ILE A 36 -1.311 -0.465 3.189 1.00 0.00 C ATOM 623 O ILE A 36 -1.358 -1.600 3.625 1.00 0.00 O ATOM 624 CB ILE A 36 -3.329 0.418 2.029 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.505 0.988 0.858 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.589 1.254 2.233 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.219 0.735 -0.464 1.00 0.00 C ATOM 0 H ILE A 36 -1.674 2.310 2.615 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.055 0.125 4.186 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.602 -0.611 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.353 2.058 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.518 0.526 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.191 1.232 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.167 0.844 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.310 2.283 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.625 1.143 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.347 -0.338 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.196 1.218 -0.448 1.00 0.00 H new ATOM 639 N GLY A 37 -0.263 -0.025 2.573 1.00 0.00 N ATOM 640 CA GLY A 37 0.888 -0.931 2.403 1.00 0.00 C ATOM 641 C GLY A 37 2.185 -0.304 2.876 1.00 0.00 C ATOM 642 O GLY A 37 2.267 0.866 3.196 1.00 0.00 O ATOM 0 H GLY A 37 -0.154 0.912 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.708 -1.852 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.981 -1.205 1.352 1.00 0.00 H new ATOM 646 N TYR A 38 3.211 -1.095 2.855 1.00 0.00 N ATOM 647 CA TYR A 38 4.570 -0.618 3.227 1.00 0.00 C ATOM 648 C TYR A 38 5.571 -1.265 2.265 1.00 0.00 C ATOM 649 O TYR A 38 5.409 -2.410 1.890 1.00 0.00 O ATOM 650 CB TYR A 38 4.811 -1.095 4.657 1.00 0.00 C ATOM 651 CG TYR A 38 6.216 -0.724 5.066 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.492 0.564 5.546 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.246 -1.666 4.965 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.796 0.907 5.922 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.550 -1.323 5.342 1.00 0.00 C ATOM 656 CZ TYR A 38 8.826 -0.037 5.821 1.00 0.00 C ATOM 657 OH TYR A 38 10.111 0.302 6.193 1.00 0.00 O ATOM 0 H TYR A 38 3.167 -2.079 2.589 1.00 0.00 H new ATOM 0 HA TYR A 38 4.675 0.465 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.089 -0.638 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.672 -2.174 4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.698 1.292 5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.035 -2.659 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.008 1.900 6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.344 -2.051 5.263 1.00 0.00 H new ATOM 0 HH TYR A 38 10.752 -0.246 5.694 1.00 0.00 H new ATOM 667 N TYR A 39 6.599 -0.569 1.859 1.00 0.00 N ATOM 668 CA TYR A 39 7.571 -1.207 0.925 1.00 0.00 C ATOM 669 C TYR A 39 9.005 -0.806 1.303 1.00 0.00 C ATOM 670 O TYR A 39 9.294 0.351 1.531 1.00 0.00 O ATOM 671 CB TYR A 39 7.224 -0.690 -0.482 1.00 0.00 C ATOM 672 CG TYR A 39 8.255 -1.194 -1.476 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.809 -2.473 -1.326 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.662 -0.380 -2.541 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.764 -2.939 -2.238 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.618 -0.848 -3.454 1.00 0.00 C ATOM 677 CZ TYR A 39 10.168 -2.125 -3.301 1.00 0.00 C ATOM 678 OH TYR A 39 11.109 -2.584 -4.201 1.00 0.00 O ATOM 0 H TYR A 39 6.806 0.393 2.127 1.00 0.00 H new ATOM 0 HA TYR A 39 7.511 -2.294 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.229 -1.029 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.203 0.400 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.498 -3.101 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.240 0.607 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.188 -3.925 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.930 -0.222 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 39 11.277 -1.896 -4.878 1.00 0.00 H new ATOM 688 N ASP A 40 9.905 -1.745 1.372 1.00 0.00 N ATOM 689 CA ASP A 40 11.312 -1.394 1.734 1.00 0.00 C ATOM 690 C ASP A 40 12.296 -2.211 0.890 1.00 0.00 C ATOM 691 O ASP A 40 12.699 -3.286 1.281 1.00 0.00 O ATOM 692 CB ASP A 40 11.440 -1.759 3.214 1.00 0.00 C ATOM 693 CG ASP A 40 12.501 -0.874 3.871 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.306 -0.309 3.148 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.491 -0.776 5.087 1.00 0.00 O ATOM 0 H ASP A 40 9.733 -2.735 1.195 1.00 0.00 H new ATOM 0 HA ASP A 40 11.537 -0.343 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.481 -1.628 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.713 -2.809 3.318 1.00 0.00 H new ATOM 838 N LEU A 49 8.121 -6.543 1.877 1.00 0.00 N ATOM 839 CA LEU A 49 6.738 -6.163 1.470 1.00 0.00 C ATOM 840 C LEU A 49 5.750 -6.415 2.610 1.00 0.00 C ATOM 841 O LEU A 49 5.459 -7.544 2.954 1.00 0.00 O ATOM 842 CB LEU A 49 6.411 -7.080 0.293 1.00 0.00 C ATOM 843 CG LEU A 49 5.244 -6.498 -0.505 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.380 -6.914 -1.966 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.924 -7.033 0.057 1.00 0.00 C ATOM 0 HA LEU A 49 6.668 -5.106 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.285 -7.189 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.156 -8.076 0.655 1.00 0.00 H new ATOM 0 HG LEU A 49 5.254 -5.411 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.550 -6.502 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.321 -6.536 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.366 -8.002 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.092 -6.618 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.910 -8.120 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.829 -6.742 1.103 1.00 0.00 H new ATOM 857 N LYS A 50 5.218 -5.377 3.186 1.00 0.00 N ATOM 858 CA LYS A 50 4.234 -5.562 4.289 1.00 0.00 C ATOM 859 C LYS A 50 2.965 -4.770 3.975 1.00 0.00 C ATOM 860 O LYS A 50 2.888 -3.584 4.227 1.00 0.00 O ATOM 861 CB LYS A 50 4.923 -5.008 5.536 1.00 0.00 C ATOM 862 CG LYS A 50 3.959 -5.069 6.723 1.00 0.00 C ATOM 863 CD LYS A 50 4.759 -5.176 8.023 1.00 0.00 C ATOM 864 CE LYS A 50 4.242 -6.357 8.851 1.00 0.00 C ATOM 865 NZ LYS A 50 5.436 -7.222 9.068 1.00 0.00 N ATOM 0 H LYS A 50 5.421 -4.408 2.942 1.00 0.00 H new ATOM 0 HA LYS A 50 3.943 -6.604 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.822 -5.585 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.239 -3.979 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.331 -4.178 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.293 -5.926 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.817 -5.311 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.669 -4.252 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.820 -6.021 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.454 -6.895 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.164 -8.055 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.812 -7.531 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.166 -6.685 9.578 1.00 0.00 H new ATOM 879 N VAL A 51 1.973 -5.406 3.412 1.00 0.00 N ATOM 880 CA VAL A 51 0.728 -4.662 3.076 1.00 0.00 C ATOM 881 C VAL A 51 -0.486 -5.256 3.784 1.00 0.00 C ATOM 882 O VAL A 51 -0.596 -6.449 3.985 1.00 0.00 O ATOM 883 CB VAL A 51 0.584 -4.774 1.534 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.882 -4.970 1.105 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.080 -3.490 0.891 1.00 0.00 C ATOM 0 H VAL A 51 1.971 -6.398 3.173 1.00 0.00 H new ATOM 0 HA VAL A 51 0.784 -3.624 3.404 1.00 0.00 H new ATOM 0 HB VAL A 51 1.167 -5.638 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.937 -5.043 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.272 -5.885 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.476 -4.120 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.981 -3.564 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.488 -2.649 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.127 -3.334 1.150 1.00 0.00 H new ATOM 895 N ASP A 52 -1.428 -4.417 4.085 1.00 0.00 N ATOM 896 CA ASP A 52 -2.684 -4.891 4.695 1.00 0.00 C ATOM 897 C ASP A 52 -3.673 -5.063 3.549 1.00 0.00 C ATOM 898 O ASP A 52 -4.596 -4.288 3.404 1.00 0.00 O ATOM 899 CB ASP A 52 -3.123 -3.768 5.635 1.00 0.00 C ATOM 900 CG ASP A 52 -3.787 -4.367 6.875 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.657 -5.207 6.710 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.416 -3.976 7.969 1.00 0.00 O ATOM 0 H ASP A 52 -1.377 -3.410 3.931 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.600 -5.829 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.262 -3.166 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.818 -3.103 5.123 1.00 0.00 H new ATOM 907 N VAL A 53 -3.427 -6.045 2.700 1.00 0.00 N ATOM 908 CA VAL A 53 -4.291 -6.288 1.489 1.00 0.00 C ATOM 909 C VAL A 53 -5.753 -5.886 1.737 1.00 0.00 C ATOM 910 O VAL A 53 -6.411 -5.390 0.849 1.00 0.00 O ATOM 911 CB VAL A 53 -4.135 -7.797 1.108 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.730 -8.662 2.308 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.444 -8.355 0.524 1.00 0.00 C ATOM 0 H VAL A 53 -2.650 -6.699 2.798 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.969 -5.662 0.656 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.342 -7.841 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.635 -9.701 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.775 -8.313 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.492 -8.587 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.309 -9.406 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.241 -8.261 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.711 -7.794 -0.372 1.00 0.00 H new ATOM 923 N GLU A 54 -6.261 -6.065 2.920 1.00 0.00 N ATOM 924 CA GLU A 54 -7.667 -5.652 3.167 1.00 0.00 C ATOM 925 C GLU A 54 -7.805 -4.154 2.900 1.00 0.00 C ATOM 926 O GLU A 54 -8.640 -3.721 2.130 1.00 0.00 O ATOM 927 CB GLU A 54 -7.938 -5.977 4.636 1.00 0.00 C ATOM 928 CG GLU A 54 -8.205 -7.475 4.787 1.00 0.00 C ATOM 929 CD GLU A 54 -9.558 -7.686 5.469 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.534 -7.137 4.985 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.596 -8.391 6.463 1.00 0.00 O ATOM 0 H GLU A 54 -5.773 -6.473 3.717 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.377 -6.165 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.084 -5.686 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.795 -5.406 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.200 -7.957 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.413 -7.939 5.375 1.00 0.00 H new ATOM 938 N ARG A 55 -6.976 -3.364 3.514 1.00 0.00 N ATOM 939 CA ARG A 55 -7.031 -1.898 3.286 1.00 0.00 C ATOM 940 C ARG A 55 -6.526 -1.593 1.875 1.00 0.00 C ATOM 941 O ARG A 55 -7.082 -0.784 1.160 1.00 0.00 O ATOM 942 CB ARG A 55 -6.093 -1.301 4.336 1.00 0.00 C ATOM 943 CG ARG A 55 -6.913 -0.640 5.442 1.00 0.00 C ATOM 944 CD ARG A 55 -7.305 0.773 5.008 1.00 0.00 C ATOM 945 NE ARG A 55 -8.656 0.623 4.398 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.728 0.524 5.151 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.637 0.523 6.458 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.900 0.414 4.588 1.00 0.00 N ATOM 0 H ARG A 55 -6.257 -3.673 4.169 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.038 -1.490 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.459 -2.081 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.432 -0.568 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.806 -1.229 5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.335 -0.602 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.328 1.456 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.591 1.179 4.292 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.750 0.597 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.724 0.600 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.479 0.445 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.978 0.405 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.738 0.337 5.165 1.00 0.00 H new ATOM 962 N ALA A 56 -5.490 -2.261 1.457 1.00 0.00 N ATOM 963 CA ALA A 56 -4.968 -2.035 0.093 1.00 0.00 C ATOM 964 C ALA A 56 -6.018 -2.512 -0.916 1.00 0.00 C ATOM 965 O ALA A 56 -6.017 -2.118 -2.068 1.00 0.00 O ATOM 966 CB ALA A 56 -3.668 -2.848 0.029 1.00 0.00 C ATOM 0 H ALA A 56 -4.984 -2.955 2.007 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.767 -0.990 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.215 -2.734 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.976 -2.488 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.888 -3.901 0.207 1.00 0.00 H new ATOM 972 N ARG A 57 -6.944 -3.335 -0.478 1.00 0.00 N ATOM 973 CA ARG A 57 -8.009 -3.805 -1.393 1.00 0.00 C ATOM 974 C ARG A 57 -9.183 -2.817 -1.364 1.00 0.00 C ATOM 975 O ARG A 57 -9.952 -2.719 -2.300 1.00 0.00 O ATOM 976 CB ARG A 57 -8.434 -5.175 -0.860 1.00 0.00 C ATOM 977 CG ARG A 57 -9.580 -5.724 -1.712 1.00 0.00 C ATOM 978 CD ARG A 57 -10.587 -6.441 -0.810 1.00 0.00 C ATOM 979 NE ARG A 57 -11.926 -6.083 -1.367 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.997 -6.766 -1.036 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.920 -7.779 -0.208 1.00 0.00 N ATOM 982 NH2 ARG A 57 -14.155 -6.434 -1.538 1.00 0.00 N ATOM 0 H ARG A 57 -6.999 -3.695 0.475 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.670 -3.874 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.589 -5.863 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.749 -5.090 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.070 -4.912 -2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.192 -6.413 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.430 -7.520 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.490 -6.116 0.226 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.009 -5.298 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.019 -8.046 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.761 -8.300 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.224 -5.648 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.991 -6.961 -1.285 1.00 0.00 H new ATOM 996 N TYR A 58 -9.300 -2.062 -0.302 1.00 0.00 N ATOM 997 CA TYR A 58 -10.387 -1.050 -0.207 1.00 0.00 C ATOM 998 C TYR A 58 -10.189 -0.070 -1.340 1.00 0.00 C ATOM 999 O TYR A 58 -11.105 0.360 -2.015 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.132 -0.354 1.131 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.905 0.948 1.223 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.218 1.016 0.754 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.299 2.087 1.779 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.933 2.216 0.839 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.015 3.288 1.862 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.332 3.351 1.393 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.038 4.534 1.477 1.00 0.00 O ATOM 0 H TYR A 58 -8.682 -2.106 0.509 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.393 -1.465 -0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.424 -1.013 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.066 -0.157 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.683 0.141 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.283 2.037 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.949 2.266 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.551 4.165 2.288 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.475 5.223 1.888 1.00 0.00 H new ATOM 1017 N TRP A 59 -8.966 0.285 -1.511 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.591 1.254 -2.558 1.00 0.00 C ATOM 1019 C TRP A 59 -8.790 0.636 -3.928 1.00 0.00 C ATOM 1020 O TRP A 59 -9.499 1.160 -4.764 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.141 1.577 -2.233 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.200 2.248 -0.911 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.663 1.807 0.242 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -7.933 3.441 -0.597 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.010 2.690 1.256 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.792 3.725 0.775 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.686 4.302 -1.390 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.397 4.844 1.348 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.299 5.426 -0.827 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.154 5.699 0.539 1.00 0.00 C ATOM 0 H TRP A 59 -8.185 -0.064 -0.955 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.195 2.161 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.532 0.674 -2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.699 2.226 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.063 0.916 0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.725 2.589 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.797 4.101 -2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.283 5.048 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.886 6.086 -1.448 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.627 6.570 0.968 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.220 -0.503 -4.151 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.437 -1.179 -5.455 1.00 0.00 C ATOM 1043 C LEU A 60 -9.945 -1.389 -5.652 1.00 0.00 C ATOM 1044 O LEU A 60 -10.423 -1.558 -6.756 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.714 -2.520 -5.339 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.286 -2.375 -5.867 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.422 -3.517 -5.329 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.303 -2.425 -7.396 1.00 0.00 C ATOM 0 H LEU A 60 -7.616 -0.997 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.064 -0.605 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.698 -2.848 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.247 -3.283 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.872 -1.422 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.405 -3.412 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.411 -3.482 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.834 -4.471 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.286 -2.322 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.718 -3.378 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.918 -1.611 -7.780 1.00 0.00 H new ATOM 1060 N SER A 61 -10.697 -1.370 -4.575 1.00 0.00 N ATOM 1061 CA SER A 61 -12.168 -1.558 -4.682 1.00 0.00 C ATOM 1062 C SER A 61 -12.856 -0.240 -5.073 1.00 0.00 C ATOM 1063 O SER A 61 -13.937 -0.242 -5.625 1.00 0.00 O ATOM 1064 CB SER A 61 -12.612 -2.013 -3.291 1.00 0.00 C ATOM 1065 OG SER A 61 -13.953 -1.601 -3.063 1.00 0.00 O ATOM 0 H SER A 61 -10.348 -1.231 -3.627 1.00 0.00 H new ATOM 0 HA SER A 61 -12.434 -2.284 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.535 -3.097 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.956 -1.589 -2.531 1.00 0.00 H new ATOM 0 HG SER A 61 -14.238 -1.894 -2.172 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.245 0.884 -4.800 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.880 2.174 -5.173 1.00 0.00 C ATOM 1073 C VAL A 62 -12.273 2.687 -6.476 1.00 0.00 C ATOM 1074 O VAL A 62 -12.150 3.875 -6.699 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.585 3.144 -4.024 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.127 2.589 -2.704 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.080 3.344 -3.897 1.00 0.00 C ATOM 0 H VAL A 62 -11.339 0.960 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.954 2.068 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.071 4.096 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.909 3.290 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.205 2.450 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.653 1.631 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.872 4.034 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.602 2.386 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.688 3.755 -4.827 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.902 1.788 -7.339 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.308 2.193 -8.646 1.00 0.00 C ATOM 1089 C GLY A 63 -9.941 2.845 -8.423 1.00 0.00 C ATOM 1090 O GLY A 63 -9.531 3.711 -9.171 1.00 0.00 O ATOM 0 H GLY A 63 -11.984 0.781 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.203 1.321 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.973 2.890 -9.156 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.226 2.439 -7.407 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.891 3.044 -7.158 1.00 0.00 C ATOM 1096 C ALA A 64 -6.900 2.596 -8.233 1.00 0.00 C ATOM 1097 O ALA A 64 -6.916 1.462 -8.670 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.460 2.522 -5.789 1.00 0.00 C ATOM 0 H ALA A 64 -9.509 1.718 -6.743 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.925 4.133 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.480 2.927 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.185 2.832 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.407 1.434 -5.815 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.039 3.474 -8.663 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.050 3.089 -9.708 1.00 0.00 C ATOM 1106 C GLN A 65 -3.657 2.927 -9.083 1.00 0.00 C ATOM 1107 O GLN A 65 -2.993 3.903 -8.794 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.062 4.244 -10.710 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.636 3.757 -12.042 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.625 2.840 -12.732 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.673 1.554 -12.514 1.00 0.00 O flip ATOM 1112 NE2 GLN A 65 -3.782 3.298 -13.478 1.00 0.00 N flip ATOM 0 H GLN A 65 -5.977 4.439 -8.338 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.296 2.139 -10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.661 5.069 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.051 4.625 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.571 3.222 -11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.867 4.608 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.744 4.303 -13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.113 2.678 -13.933 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.259 1.692 -8.888 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.934 1.412 -8.295 1.00 0.00 C ATOM 1123 C PRO A 66 -0.844 1.507 -9.366 1.00 0.00 C ATOM 1124 O PRO A 66 -0.909 0.850 -10.386 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.066 -0.020 -7.791 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.132 -0.648 -8.636 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.996 0.457 -9.191 1.00 0.00 C ATOM 0 HA PRO A 66 -1.657 2.115 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.123 -0.558 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.339 -0.041 -6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.686 -1.226 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.731 -1.339 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.149 0.340 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.982 0.460 -8.727 1.00 0.00 H new ATOM 1135 N THR A 67 0.160 2.313 -9.148 1.00 0.00 N ATOM 1136 CA THR A 67 1.245 2.428 -10.164 1.00 0.00 C ATOM 1137 C THR A 67 1.819 1.038 -10.467 1.00 0.00 C ATOM 1138 O THR A 67 1.426 0.055 -9.871 1.00 0.00 O ATOM 1139 CB THR A 67 2.306 3.341 -9.538 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.434 3.409 -10.397 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.734 2.791 -8.178 1.00 0.00 C ATOM 0 H THR A 67 0.276 2.893 -8.317 1.00 0.00 H new ATOM 0 HA THR A 67 0.887 2.838 -11.108 1.00 0.00 H new ATOM 0 HB THR A 67 1.886 4.338 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.113 3.993 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.488 3.446 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.869 2.742 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.151 1.792 -8.304 1.00 0.00 H new ATOM 1149 N ASP A 68 2.728 0.945 -11.397 1.00 0.00 N ATOM 1150 CA ASP A 68 3.308 -0.388 -11.746 1.00 0.00 C ATOM 1151 C ASP A 68 4.030 -1.005 -10.544 1.00 0.00 C ATOM 1152 O ASP A 68 4.265 -2.198 -10.496 1.00 0.00 O ATOM 1153 CB ASP A 68 4.299 -0.103 -12.875 1.00 0.00 C ATOM 1154 CG ASP A 68 4.187 -1.193 -13.940 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.789 -2.238 -13.756 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.503 -0.964 -14.924 1.00 0.00 O ATOM 0 H ASP A 68 3.096 1.732 -11.932 1.00 0.00 H new ATOM 0 HA ASP A 68 2.537 -1.100 -12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.094 0.873 -13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.315 -0.068 -12.481 1.00 0.00 H new ATOM 1161 N THR A 69 4.391 -0.209 -9.580 1.00 0.00 N ATOM 1162 CA THR A 69 5.107 -0.752 -8.387 1.00 0.00 C ATOM 1163 C THR A 69 4.112 -1.158 -7.298 1.00 0.00 C ATOM 1164 O THR A 69 4.151 -2.257 -6.780 1.00 0.00 O ATOM 1165 CB THR A 69 5.962 0.401 -7.891 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.374 1.203 -8.990 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.191 -0.133 -7.155 1.00 0.00 C ATOM 0 H THR A 69 4.222 0.797 -9.563 1.00 0.00 H new ATOM 0 HA THR A 69 5.692 -1.638 -8.634 1.00 0.00 H new ATOM 0 HB THR A 69 5.372 1.006 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.924 1.946 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.796 0.703 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.872 -0.733 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.782 -0.749 -7.833 1.00 0.00 H new ATOM 1175 N ALA A 70 3.220 -0.274 -6.950 1.00 0.00 N ATOM 1176 CA ALA A 70 2.221 -0.589 -5.901 1.00 0.00 C ATOM 1177 C ALA A 70 1.242 -1.609 -6.450 1.00 0.00 C ATOM 1178 O ALA A 70 0.684 -2.407 -5.723 1.00 0.00 O ATOM 1179 CB ALA A 70 1.516 0.733 -5.602 1.00 0.00 C ATOM 0 H ALA A 70 3.142 0.660 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 70 2.668 -1.007 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.760 0.576 -4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.245 1.463 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.038 1.104 -6.509 1.00 0.00 H new ATOM 1185 N ARG A 71 1.052 -1.614 -7.740 1.00 0.00 N ATOM 1186 CA ARG A 71 0.143 -2.608 -8.329 1.00 0.00 C ATOM 1187 C ARG A 71 0.817 -3.959 -8.186 1.00 0.00 C ATOM 1188 O ARG A 71 0.192 -4.957 -7.887 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.013 -2.213 -9.802 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.724 -3.333 -10.567 1.00 0.00 C ATOM 1191 CD ARG A 71 0.315 -4.297 -11.144 1.00 0.00 C ATOM 1192 NE ARG A 71 0.435 -3.920 -12.583 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.475 -4.287 -13.454 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.519 -4.986 -13.085 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.338 -3.949 -14.708 1.00 0.00 N ATOM 0 H ARG A 71 1.489 -0.972 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.837 -2.652 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.583 -1.287 -9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.966 -2.024 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.402 -3.868 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.330 -2.912 -11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.271 -4.201 -10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.004 -5.333 -11.033 1.00 0.00 H new ATOM 0 HE ARG A 71 1.235 -3.369 -12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.634 -5.253 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.217 -5.263 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.472 -3.404 -15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.041 -4.230 -15.392 1.00 0.00 H new ATOM 1209 N ARG A 72 2.111 -3.985 -8.359 1.00 0.00 N ATOM 1210 CA ARG A 72 2.838 -5.260 -8.201 1.00 0.00 C ATOM 1211 C ARG A 72 2.822 -5.648 -6.726 1.00 0.00 C ATOM 1212 O ARG A 72 2.508 -6.765 -6.368 1.00 0.00 O ATOM 1213 CB ARG A 72 4.261 -4.986 -8.689 1.00 0.00 C ATOM 1214 CG ARG A 72 4.519 -5.791 -9.964 1.00 0.00 C ATOM 1215 CD ARG A 72 6.027 -5.925 -10.188 1.00 0.00 C ATOM 1216 NE ARG A 72 6.498 -6.832 -9.102 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.768 -7.141 -8.988 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.659 -6.644 -9.810 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.147 -7.951 -8.039 1.00 0.00 N ATOM 0 H ARG A 72 2.687 -3.179 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 72 2.393 -6.081 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.393 -3.922 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.982 -5.261 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.064 -6.778 -9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.056 -5.297 -10.818 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.245 -6.341 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.522 -4.955 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 72 5.825 -7.217 -8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.369 -6.007 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.643 -6.894 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.458 -8.338 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.132 -8.197 -7.942 1.00 0.00 H new ATOM 1233 N LEU A 73 3.132 -4.720 -5.863 1.00 0.00 N ATOM 1234 CA LEU A 73 3.101 -5.023 -4.415 1.00 0.00 C ATOM 1235 C LEU A 73 1.688 -5.432 -4.031 1.00 0.00 C ATOM 1236 O LEU A 73 1.481 -6.175 -3.095 1.00 0.00 O ATOM 1237 CB LEU A 73 3.515 -3.728 -3.715 1.00 0.00 C ATOM 1238 CG LEU A 73 4.918 -3.326 -4.173 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.114 -1.823 -3.963 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.959 -4.091 -3.354 1.00 0.00 C ATOM 0 H LEU A 73 3.405 -3.767 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 73 3.766 -5.840 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.804 -2.934 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.499 -3.866 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 73 5.036 -3.564 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.114 -1.537 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.372 -1.275 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.996 -1.585 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.959 -3.806 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.839 -3.851 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.822 -5.162 -3.501 1.00 0.00 H new ATOM 1252 N LEU A 74 0.712 -4.993 -4.777 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.670 -5.420 -4.477 1.00 0.00 C ATOM 1254 C LEU A 74 -0.812 -6.856 -4.982 1.00 0.00 C ATOM 1255 O LEU A 74 -1.592 -7.641 -4.481 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.577 -4.462 -5.249 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.681 -3.138 -4.490 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.157 -2.040 -5.438 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.682 -3.285 -3.341 1.00 0.00 C ATOM 0 H LEU A 74 0.816 -4.363 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.924 -5.396 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.177 -4.291 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.567 -4.901 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.702 -2.874 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.230 -1.097 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.446 -1.933 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.135 -2.305 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.756 -2.342 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.660 -3.551 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.344 -4.067 -2.661 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.016 -7.207 -5.962 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.039 -8.582 -6.505 1.00 0.00 C ATOM 1273 C ARG A 75 0.807 -9.474 -5.604 1.00 0.00 C ATOM 1274 O ARG A 75 0.552 -10.652 -5.453 1.00 0.00 O ATOM 1275 CB ARG A 75 0.607 -8.467 -7.889 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.328 -9.044 -8.952 1.00 0.00 C ATOM 1277 CD ARG A 75 0.499 -9.700 -10.063 1.00 0.00 C ATOM 1278 NE ARG A 75 0.688 -8.634 -11.089 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.386 -8.865 -12.178 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.938 -10.035 -12.389 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.532 -7.917 -13.062 1.00 0.00 N ATOM 0 H ARG A 75 0.655 -6.583 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.042 -9.006 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.824 -7.422 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.558 -9.000 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.998 -9.777 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.953 -8.254 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.457 -10.056 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.018 -10.563 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 75 0.270 -7.715 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.829 -10.782 -11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.477 -10.199 -13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.106 -7.004 -12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.073 -8.089 -13.910 1.00 0.00 H new ATOM 1295 N GLN A 76 1.825 -8.911 -5.013 1.00 0.00 N ATOM 1296 CA GLN A 76 2.706 -9.697 -4.134 1.00 0.00 C ATOM 1297 C GLN A 76 2.166 -9.720 -2.714 1.00 0.00 C ATOM 1298 O GLN A 76 2.241 -10.713 -2.018 1.00 0.00 O ATOM 1299 CB GLN A 76 4.031 -8.963 -4.217 1.00 0.00 C ATOM 1300 CG GLN A 76 5.178 -9.926 -3.930 1.00 0.00 C ATOM 1301 CD GLN A 76 5.570 -10.638 -5.225 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.700 -11.846 -5.253 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.769 -9.935 -6.307 1.00 0.00 N ATOM 0 H GLN A 76 2.079 -7.928 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 76 2.790 -10.743 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.152 -8.525 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.047 -8.141 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.032 -9.383 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.878 -10.654 -3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.660 -8.921 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.034 -10.400 -7.176 1.00 0.00 H new ATOM 1312 N ALA A 77 1.602 -8.639 -2.294 1.00 0.00 N ATOM 1313 CA ALA A 77 1.021 -8.582 -0.928 1.00 0.00 C ATOM 1314 C ALA A 77 -0.160 -9.558 -0.818 1.00 0.00 C ATOM 1315 O ALA A 77 -0.661 -9.820 0.257 1.00 0.00 O ATOM 1316 CB ALA A 77 0.545 -7.139 -0.757 1.00 0.00 C ATOM 0 H ALA A 77 1.514 -7.781 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 77 1.741 -8.864 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.102 -7.017 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.393 -6.462 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.199 -6.909 -1.519 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.610 -10.100 -1.926 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.754 -11.054 -1.885 1.00 0.00 C ATOM 1324 C GLY A 78 -3.071 -10.277 -1.874 1.00 0.00 C ATOM 1325 O GLY A 78 -3.940 -10.532 -1.065 1.00 0.00 O ATOM 0 H GLY A 78 -0.231 -9.920 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.719 -11.717 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.684 -11.683 -0.998 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.230 -9.327 -2.758 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.491 -8.540 -2.775 1.00 0.00 C ATOM 1331 C VAL A 79 -5.442 -9.030 -3.871 1.00 0.00 C ATOM 1332 O VAL A 79 -6.531 -9.491 -3.593 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.072 -7.102 -3.034 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.307 -6.199 -3.008 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.090 -6.655 -1.950 1.00 0.00 C ATOM 0 H VAL A 79 -2.543 -9.065 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.032 -8.644 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.592 -7.033 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.008 -5.168 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.007 -6.518 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.787 -6.267 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.789 -5.624 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.570 -6.724 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.211 -7.299 -1.968 1.00 0.00 H new