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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 165: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+ 165:sc= 0 (180deg=-0.0853) USER MOD Single : A 38 TYR OH : rot -134:sc= 1.09 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 77:sc= 1.1 USER MOD Single : A 65 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.682 8.290 -6.956 1.00 0.00 N ATOM 21 CA VAL A 2 -7.806 7.668 -5.922 1.00 0.00 C ATOM 22 C VAL A 2 -6.758 6.773 -6.588 1.00 0.00 C ATOM 23 O VAL A 2 -7.066 5.973 -7.448 1.00 0.00 O ATOM 24 CB VAL A 2 -8.749 6.836 -5.055 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.950 6.133 -3.957 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.793 7.754 -4.415 1.00 0.00 C ATOM 0 HA VAL A 2 -7.264 8.411 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.247 6.090 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.624 5.540 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.205 5.480 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.451 6.878 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.467 7.162 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.292 8.499 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.364 8.256 -5.196 1.00 0.00 H new ATOM 36 N LYS A 3 -5.519 6.905 -6.200 1.00 0.00 N ATOM 37 CA LYS A 3 -4.452 6.064 -6.814 1.00 0.00 C ATOM 38 C LYS A 3 -3.452 5.611 -5.748 1.00 0.00 C ATOM 39 O LYS A 3 -3.017 6.390 -4.925 1.00 0.00 O ATOM 40 CB LYS A 3 -3.765 6.980 -7.825 1.00 0.00 C ATOM 41 CG LYS A 3 -4.074 6.496 -9.243 1.00 0.00 C ATOM 42 CD LYS A 3 -5.125 7.409 -9.877 1.00 0.00 C ATOM 43 CE LYS A 3 -4.595 8.844 -9.919 1.00 0.00 C ATOM 44 NZ LYS A 3 -4.612 9.216 -11.361 1.00 0.00 N ATOM 0 H LYS A 3 -5.199 7.558 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.854 5.163 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.110 8.006 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.688 6.983 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.165 6.497 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.438 5.469 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.359 7.067 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.051 7.369 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.222 9.514 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.588 8.906 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.262 10.189 -11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.002 8.565 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.585 9.155 -11.724 1.00 0.00 H new ATOM 58 N ILE A 4 -3.071 4.361 -5.760 1.00 0.00 N ATOM 59 CA ILE A 4 -2.092 3.885 -4.750 1.00 0.00 C ATOM 60 C ILE A 4 -0.709 3.755 -5.392 1.00 0.00 C ATOM 61 O ILE A 4 -0.566 3.250 -6.487 1.00 0.00 O ATOM 62 CB ILE A 4 -2.619 2.541 -4.260 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.893 2.773 -3.451 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.574 1.860 -3.373 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.608 1.443 -3.240 1.00 0.00 C ATOM 0 H ILE A 4 -3.395 3.656 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.983 4.578 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.830 1.901 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.649 3.224 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.547 3.471 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.959 0.901 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.660 1.699 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.357 2.494 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.518 1.607 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.865 1.011 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.953 0.760 -2.699 1.00 0.00 H new ATOM 77 N ARG A 5 0.309 4.220 -4.721 1.00 0.00 N ATOM 78 CA ARG A 5 1.676 4.137 -5.295 1.00 0.00 C ATOM 79 C ARG A 5 2.722 4.051 -4.184 1.00 0.00 C ATOM 80 O ARG A 5 2.399 3.861 -3.031 1.00 0.00 O ATOM 81 CB ARG A 5 1.849 5.427 -6.098 1.00 0.00 C ATOM 82 CG ARG A 5 1.582 6.633 -5.196 1.00 0.00 C ATOM 83 CD ARG A 5 1.541 7.907 -6.043 1.00 0.00 C ATOM 84 NE ARG A 5 2.937 8.084 -6.537 1.00 0.00 N ATOM 85 CZ ARG A 5 3.886 8.505 -5.734 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.634 8.775 -4.477 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.099 8.655 -6.193 1.00 0.00 N ATOM 0 H ARG A 5 0.250 4.654 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 5 1.806 3.249 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.859 5.481 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.163 5.435 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.637 6.504 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.361 6.713 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.838 7.809 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.219 8.764 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 5 3.157 7.875 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.689 8.659 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.382 9.101 -3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.304 8.445 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.841 8.982 -5.575 1.00 0.00 H new ATOM 101 N LEU A 6 3.974 4.198 -4.522 1.00 0.00 N ATOM 102 CA LEU A 6 5.042 4.127 -3.487 1.00 0.00 C ATOM 103 C LEU A 6 5.307 5.515 -2.895 1.00 0.00 C ATOM 104 O LEU A 6 5.545 6.471 -3.606 1.00 0.00 O ATOM 105 CB LEU A 6 6.280 3.625 -4.229 1.00 0.00 C ATOM 106 CG LEU A 6 6.102 2.150 -4.586 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.160 2.021 -5.784 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.463 1.547 -4.941 1.00 0.00 C ATOM 0 H LEU A 6 4.303 4.365 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 6 4.765 3.475 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.437 4.212 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.166 3.755 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 6 5.677 1.619 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.035 0.968 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.191 2.452 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.582 2.551 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.339 0.495 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.886 2.080 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.135 1.637 -4.087 1.00 0.00 H new ATOM 120 N ALA A 7 5.263 5.624 -1.598 1.00 0.00 N ATOM 121 CA ALA A 7 5.506 6.941 -0.939 1.00 0.00 C ATOM 122 C ALA A 7 6.920 6.997 -0.361 1.00 0.00 C ATOM 123 O ALA A 7 7.220 6.343 0.610 1.00 0.00 O ATOM 124 CB ALA A 7 4.481 6.995 0.189 1.00 0.00 C ATOM 0 H ALA A 7 5.068 4.853 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 7 5.413 7.775 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.586 7.934 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.476 6.928 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.647 6.161 0.871 1.00 0.00 H new ATOM 130 N ARG A 8 7.791 7.768 -0.947 1.00 0.00 N ATOM 131 CA ARG A 8 9.184 7.846 -0.427 1.00 0.00 C ATOM 132 C ARG A 8 9.293 8.812 0.758 1.00 0.00 C ATOM 133 O ARG A 8 9.141 10.008 0.611 1.00 0.00 O ATOM 134 CB ARG A 8 10.013 8.378 -1.594 1.00 0.00 C ATOM 135 CG ARG A 8 11.499 8.200 -1.277 1.00 0.00 C ATOM 136 CD ARG A 8 12.341 8.875 -2.363 1.00 0.00 C ATOM 137 NE ARG A 8 13.220 9.831 -1.628 1.00 0.00 N ATOM 138 CZ ARG A 8 13.941 10.717 -2.275 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.914 10.781 -3.583 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.694 11.545 -1.604 1.00 0.00 N ATOM 0 H ARG A 8 7.599 8.348 -1.764 1.00 0.00 H new ATOM 0 HA ARG A 8 9.522 6.873 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.758 7.845 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.789 9.431 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.728 8.634 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.744 7.140 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.929 8.144 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.711 9.393 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 8 13.261 9.796 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.327 10.137 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.480 11.475 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.719 11.500 -0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.258 12.237 -2.098 1.00 0.00 H new ATOM 276 N TYR A 17 9.550 2.946 1.330 1.00 0.00 N ATOM 277 CA TYR A 17 8.377 3.698 0.864 1.00 0.00 C ATOM 278 C TYR A 17 7.143 3.006 1.400 1.00 0.00 C ATOM 279 O TYR A 17 7.233 1.990 2.053 1.00 0.00 O ATOM 280 CB TYR A 17 8.348 3.560 -0.652 1.00 0.00 C ATOM 281 CG TYR A 17 9.611 4.060 -1.302 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.829 3.408 -1.086 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.550 5.162 -2.159 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.986 3.865 -1.720 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.703 5.615 -2.799 1.00 0.00 C ATOM 286 CZ TYR A 17 11.925 4.969 -2.579 1.00 0.00 C ATOM 287 OH TYR A 17 13.067 5.417 -3.211 1.00 0.00 O ATOM 0 HA TYR A 17 8.413 4.740 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.198 2.513 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.496 4.113 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.875 2.552 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.608 5.664 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.929 3.367 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.653 6.464 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 17 12.821 6.022 -3.942 1.00 0.00 H new ATOM 297 N ARG A 18 5.999 3.508 1.088 1.00 0.00 N ATOM 298 CA ARG A 18 4.764 2.832 1.522 1.00 0.00 C ATOM 299 C ARG A 18 3.849 2.734 0.317 1.00 0.00 C ATOM 300 O ARG A 18 3.943 3.521 -0.605 1.00 0.00 O ATOM 301 CB ARG A 18 4.145 3.726 2.585 1.00 0.00 C ATOM 302 CG ARG A 18 4.767 3.410 3.950 1.00 0.00 C ATOM 303 CD ARG A 18 3.942 4.072 5.058 1.00 0.00 C ATOM 304 NE ARG A 18 4.777 3.940 6.289 1.00 0.00 N ATOM 305 CZ ARG A 18 4.344 4.385 7.446 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.172 4.960 7.551 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.093 4.252 8.508 1.00 0.00 N ATOM 0 H ARG A 18 5.863 4.362 0.548 1.00 0.00 H new ATOM 0 HA ARG A 18 4.939 1.832 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.309 4.774 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.067 3.572 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.802 2.331 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.795 3.770 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.739 5.118 4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.977 3.580 5.180 1.00 0.00 H new ATOM 0 HE ARG A 18 5.695 3.499 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.581 5.067 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.850 5.300 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.007 3.805 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.764 4.595 9.410 1.00 0.00 H new ATOM 321 N ILE A 19 2.942 1.819 0.326 1.00 0.00 N ATOM 322 CA ILE A 19 2.002 1.728 -0.803 1.00 0.00 C ATOM 323 C ILE A 19 0.780 2.459 -0.281 1.00 0.00 C ATOM 324 O ILE A 19 -0.125 1.886 0.289 1.00 0.00 O ATOM 325 CB ILE A 19 1.732 0.236 -1.073 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.800 -0.680 -0.460 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.758 -0.010 -2.575 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.175 -0.269 -0.984 1.00 0.00 C ATOM 0 H ILE A 19 2.810 1.129 1.066 1.00 0.00 H new ATOM 0 HA ILE A 19 2.347 2.156 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 19 0.765 0.007 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.776 -0.609 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.596 -1.719 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.568 -1.065 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.989 0.595 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.736 0.263 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.938 -0.917 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.193 -0.362 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.376 0.765 -0.705 1.00 0.00 H new ATOM 340 N VAL A 20 0.834 3.757 -0.376 1.00 0.00 N ATOM 341 CA VAL A 20 -0.218 4.611 0.212 1.00 0.00 C ATOM 342 C VAL A 20 -1.255 5.036 -0.838 1.00 0.00 C ATOM 343 O VAL A 20 -1.087 4.818 -2.020 1.00 0.00 O ATOM 344 CB VAL A 20 0.610 5.786 0.795 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.487 7.064 -0.041 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.166 6.065 2.226 1.00 0.00 C ATOM 0 H VAL A 20 1.581 4.267 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.830 4.122 0.969 1.00 0.00 H new ATOM 0 HB VAL A 20 1.658 5.486 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.086 7.854 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.844 6.873 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.557 7.376 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.749 6.891 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.892 6.329 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.322 5.175 2.836 1.00 0.00 H new ATOM 356 N VAL A 21 -2.351 5.591 -0.391 1.00 0.00 N ATOM 357 CA VAL A 21 -3.443 5.978 -1.325 1.00 0.00 C ATOM 358 C VAL A 21 -3.602 7.500 -1.369 1.00 0.00 C ATOM 359 O VAL A 21 -4.089 8.109 -0.436 1.00 0.00 O ATOM 360 CB VAL A 21 -4.726 5.333 -0.749 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.496 4.651 -1.869 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.409 4.286 0.319 1.00 0.00 C ATOM 0 H VAL A 21 -2.535 5.794 0.592 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.234 5.646 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.315 6.129 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.400 4.196 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.767 5.388 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.873 3.879 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.338 3.858 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.797 3.496 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.866 4.756 1.139 1.00 0.00 H new ATOM 372 N THR A 22 -3.209 8.120 -2.447 1.00 0.00 N ATOM 373 CA THR A 22 -3.354 9.603 -2.548 1.00 0.00 C ATOM 374 C THR A 22 -3.797 9.996 -3.960 1.00 0.00 C ATOM 375 O THR A 22 -4.225 9.168 -4.739 1.00 0.00 O ATOM 376 CB THR A 22 -1.965 10.171 -2.243 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.965 11.571 -2.484 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.919 9.500 -3.137 1.00 0.00 C ATOM 0 H THR A 22 -2.794 7.667 -3.262 1.00 0.00 H new ATOM 0 HA THR A 22 -4.106 9.987 -1.859 1.00 0.00 H new ATOM 0 HB THR A 22 -1.720 9.978 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.077 11.937 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.066 9.909 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.916 8.426 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.161 9.686 -4.183 1.00 0.00 H new ATOM 543 N TYR A 32 -1.815 11.639 1.663 1.00 0.00 N ATOM 544 CA TYR A 32 -2.688 10.554 1.118 1.00 0.00 C ATOM 545 C TYR A 32 -3.971 10.445 1.941 1.00 0.00 C ATOM 546 O TYR A 32 -4.230 11.245 2.817 1.00 0.00 O ATOM 547 CB TYR A 32 -1.879 9.248 1.217 1.00 0.00 C ATOM 548 CG TYR A 32 -1.216 9.134 2.573 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.990 8.905 3.716 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.174 9.259 2.680 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.371 8.800 4.967 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.791 9.154 3.931 1.00 0.00 C ATOM 553 CZ TYR A 32 0.019 8.924 5.075 1.00 0.00 C ATOM 554 OH TYR A 32 0.628 8.822 6.309 1.00 0.00 O ATOM 0 HA TYR A 32 -2.975 10.761 0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.536 8.394 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.122 9.222 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.063 8.809 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.770 9.436 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.967 8.623 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.863 9.250 4.014 1.00 0.00 H new ATOM 0 HH TYR A 32 1.596 8.931 6.206 1.00 0.00 H new ATOM 564 N ILE A 33 -4.775 9.459 1.660 1.00 0.00 N ATOM 565 CA ILE A 33 -6.046 9.291 2.419 1.00 0.00 C ATOM 566 C ILE A 33 -5.832 8.332 3.593 1.00 0.00 C ATOM 567 O ILE A 33 -6.393 8.502 4.658 1.00 0.00 O ATOM 568 CB ILE A 33 -7.022 8.691 1.408 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.160 9.634 0.211 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.389 8.502 2.065 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.749 8.868 -0.975 1.00 0.00 C ATOM 0 H ILE A 33 -4.607 8.760 0.936 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.412 10.229 2.837 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.645 7.726 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.802 10.476 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.187 10.046 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.084 8.074 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.293 7.830 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.766 9.467 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.848 9.539 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.089 8.041 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.730 8.478 -0.705 1.00 0.00 H new ATOM 583 N GLU A 34 -5.023 7.327 3.404 1.00 0.00 N ATOM 584 CA GLU A 34 -4.768 6.353 4.502 1.00 0.00 C ATOM 585 C GLU A 34 -3.549 5.490 4.161 1.00 0.00 C ATOM 586 O GLU A 34 -3.072 5.488 3.045 1.00 0.00 O ATOM 587 CB GLU A 34 -6.031 5.494 4.569 1.00 0.00 C ATOM 588 CG GLU A 34 -6.270 5.046 6.013 1.00 0.00 C ATOM 589 CD GLU A 34 -7.617 5.586 6.500 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.629 5.166 5.963 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.613 6.409 7.401 1.00 0.00 O ATOM 0 H GLU A 34 -4.526 7.138 2.534 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.559 6.843 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.888 6.061 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.927 4.624 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.259 3.958 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.467 5.409 6.655 1.00 0.00 H new ATOM 598 N LYS A 35 -3.044 4.757 5.115 1.00 0.00 N ATOM 599 CA LYS A 35 -1.856 3.893 4.841 1.00 0.00 C ATOM 600 C LYS A 35 -2.290 2.433 4.667 1.00 0.00 C ATOM 601 O LYS A 35 -2.732 1.788 5.597 1.00 0.00 O ATOM 602 CB LYS A 35 -0.941 4.059 6.065 1.00 0.00 C ATOM 603 CG LYS A 35 -1.591 3.444 7.311 1.00 0.00 C ATOM 604 CD LYS A 35 -0.961 4.048 8.567 1.00 0.00 C ATOM 605 CE LYS A 35 -2.047 4.295 9.616 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.438 2.938 10.092 1.00 0.00 N ATOM 0 H LYS A 35 -3.400 4.717 6.070 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.343 4.176 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.020 3.580 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.742 5.117 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.665 3.631 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.456 2.362 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.202 3.375 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.459 4.984 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.672 4.908 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.898 4.823 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.981 3.023 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.023 2.472 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.583 2.371 10.264 1.00 0.00 H new ATOM 620 N ILE A 36 -2.179 1.905 3.476 1.00 0.00 N ATOM 621 CA ILE A 36 -2.597 0.487 3.256 1.00 0.00 C ATOM 622 C ILE A 36 -1.391 -0.420 3.067 1.00 0.00 C ATOM 623 O ILE A 36 -1.407 -1.572 3.455 1.00 0.00 O ATOM 624 CB ILE A 36 -3.438 0.509 1.983 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.576 0.979 0.802 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.611 1.463 2.175 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.404 0.986 -0.478 1.00 0.00 C ATOM 0 H ILE A 36 -1.820 2.388 2.652 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.148 0.100 4.113 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.812 -0.493 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.188 1.978 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.715 0.320 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.216 1.483 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.222 1.124 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.235 2.465 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.785 1.321 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.770 -0.021 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.250 1.663 -0.360 1.00 0.00 H new ATOM 639 N GLY A 37 -0.365 0.067 2.442 1.00 0.00 N ATOM 640 CA GLY A 37 0.806 -0.804 2.200 1.00 0.00 C ATOM 641 C GLY A 37 2.088 -0.225 2.789 1.00 0.00 C ATOM 642 O GLY A 37 2.170 0.930 3.153 1.00 0.00 O ATOM 0 H GLY A 37 -0.286 1.022 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.621 -1.787 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.934 -0.948 1.127 1.00 0.00 H new ATOM 646 N TYR A 38 3.105 -1.042 2.829 1.00 0.00 N ATOM 647 CA TYR A 38 4.435 -0.596 3.329 1.00 0.00 C ATOM 648 C TYR A 38 5.543 -1.230 2.471 1.00 0.00 C ATOM 649 O TYR A 38 5.596 -2.434 2.314 1.00 0.00 O ATOM 650 CB TYR A 38 4.521 -1.092 4.773 1.00 0.00 C ATOM 651 CG TYR A 38 5.852 -0.689 5.363 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.051 0.624 5.806 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.888 -1.626 5.466 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.285 1.000 6.351 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.122 -1.250 6.011 1.00 0.00 C ATOM 656 CZ TYR A 38 8.320 0.064 6.453 1.00 0.00 C ATOM 657 OH TYR A 38 9.536 0.435 6.989 1.00 0.00 O ATOM 0 H TYR A 38 3.069 -2.017 2.531 1.00 0.00 H new ATOM 0 HA TYR A 38 4.557 0.486 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.707 -0.671 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.410 -2.176 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.253 1.347 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.735 -2.639 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.438 2.013 6.693 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.920 -1.973 6.090 1.00 0.00 H new ATOM 0 HH TYR A 38 10.260 0.102 6.419 1.00 0.00 H new ATOM 667 N TYR A 39 6.430 -0.443 1.920 1.00 0.00 N ATOM 668 CA TYR A 39 7.526 -1.027 1.087 1.00 0.00 C ATOM 669 C TYR A 39 8.890 -0.647 1.695 1.00 0.00 C ATOM 670 O TYR A 39 9.136 0.509 1.980 1.00 0.00 O ATOM 671 CB TYR A 39 7.389 -0.387 -0.299 1.00 0.00 C ATOM 672 CG TYR A 39 8.545 -0.818 -1.179 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.996 -2.142 -1.134 1.00 0.00 C ATOM 674 CD2 TYR A 39 9.162 0.100 -2.036 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.064 -2.549 -1.943 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.229 -0.308 -2.847 1.00 0.00 C ATOM 677 CZ TYR A 39 10.679 -1.631 -2.800 1.00 0.00 C ATOM 678 OH TYR A 39 11.727 -2.032 -3.603 1.00 0.00 O ATOM 0 H TYR A 39 6.444 0.573 2.009 1.00 0.00 H new ATOM 0 HA TYR A 39 7.461 -2.114 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.444 -0.682 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.374 0.699 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.519 -2.851 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.816 1.122 -2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.412 -3.571 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.705 0.400 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 39 12.039 -1.272 -4.138 1.00 0.00 H new ATOM 688 N ASP A 40 9.783 -1.581 1.898 1.00 0.00 N ATOM 689 CA ASP A 40 11.110 -1.204 2.487 1.00 0.00 C ATOM 690 C ASP A 40 12.262 -1.983 1.833 1.00 0.00 C ATOM 691 O ASP A 40 12.725 -2.964 2.376 1.00 0.00 O ATOM 692 CB ASP A 40 11.000 -1.559 3.969 1.00 0.00 C ATOM 693 CG ASP A 40 12.163 -0.922 4.733 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.288 -1.060 4.282 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.909 -0.308 5.756 1.00 0.00 O ATOM 0 H ASP A 40 9.659 -2.571 1.687 1.00 0.00 H new ATOM 0 HA ASP A 40 11.331 -0.149 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.050 -1.205 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.016 -2.641 4.097 1.00 0.00 H new ATOM 838 N LEU A 49 8.214 -6.346 1.879 1.00 0.00 N ATOM 839 CA LEU A 49 6.838 -6.022 1.409 1.00 0.00 C ATOM 840 C LEU A 49 5.812 -6.337 2.501 1.00 0.00 C ATOM 841 O LEU A 49 5.583 -7.481 2.838 1.00 0.00 O ATOM 842 CB LEU A 49 6.622 -6.942 0.209 1.00 0.00 C ATOM 843 CG LEU A 49 5.402 -6.476 -0.584 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.650 -6.697 -2.075 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.178 -7.278 -0.143 1.00 0.00 C ATOM 0 HA LEU A 49 6.723 -4.967 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.506 -6.937 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.478 -7.968 0.547 1.00 0.00 H new ATOM 0 HG LEU A 49 5.228 -5.416 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.780 -6.365 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.525 -6.127 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.822 -7.757 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.305 -6.949 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.351 -8.338 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.004 -7.120 0.921 1.00 0.00 H new ATOM 857 N LYS A 50 5.185 -5.334 3.044 1.00 0.00 N ATOM 858 CA LYS A 50 4.165 -5.581 4.103 1.00 0.00 C ATOM 859 C LYS A 50 2.916 -4.750 3.812 1.00 0.00 C ATOM 860 O LYS A 50 2.845 -3.585 4.151 1.00 0.00 O ATOM 861 CB LYS A 50 4.824 -5.128 5.406 1.00 0.00 C ATOM 862 CG LYS A 50 3.917 -5.481 6.585 1.00 0.00 C ATOM 863 CD LYS A 50 4.475 -6.709 7.308 1.00 0.00 C ATOM 864 CE LYS A 50 5.825 -6.360 7.939 1.00 0.00 C ATOM 865 NZ LYS A 50 5.641 -6.606 9.397 1.00 0.00 N ATOM 0 H LYS A 50 5.333 -4.354 2.802 1.00 0.00 H new ATOM 0 HA LYS A 50 3.856 -6.625 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.794 -5.611 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.004 -4.053 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.853 -4.638 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.905 -5.682 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.777 -7.040 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.592 -7.535 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.624 -6.980 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.096 -5.322 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.525 -6.389 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.879 -5.998 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.391 -7.603 9.552 1.00 0.00 H new ATOM 879 N VAL A 51 1.937 -5.328 3.171 1.00 0.00 N ATOM 880 CA VAL A 51 0.711 -4.545 2.851 1.00 0.00 C ATOM 881 C VAL A 51 -0.522 -5.133 3.538 1.00 0.00 C ATOM 882 O VAL A 51 -0.701 -6.332 3.618 1.00 0.00 O ATOM 883 CB VAL A 51 0.583 -4.610 1.304 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.869 -4.849 0.854 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.043 -3.286 0.705 1.00 0.00 C ATOM 0 H VAL A 51 1.932 -6.299 2.858 1.00 0.00 H new ATOM 0 HA VAL A 51 0.782 -3.518 3.209 1.00 0.00 H new ATOM 0 HB VAL A 51 1.199 -5.442 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.911 -4.887 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.226 -5.794 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.500 -4.036 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.955 -3.328 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.421 -2.477 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.083 -3.105 0.978 1.00 0.00 H new ATOM 895 N ASP A 52 -1.402 -4.279 3.965 1.00 0.00 N ATOM 896 CA ASP A 52 -2.665 -4.754 4.571 1.00 0.00 C ATOM 897 C ASP A 52 -3.657 -4.939 3.429 1.00 0.00 C ATOM 898 O ASP A 52 -4.573 -4.156 3.269 1.00 0.00 O ATOM 899 CB ASP A 52 -3.116 -3.628 5.502 1.00 0.00 C ATOM 900 CG ASP A 52 -3.820 -4.222 6.723 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.201 -5.015 7.412 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.967 -3.873 6.947 1.00 0.00 O ATOM 0 H ASP A 52 -1.298 -3.265 3.919 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.573 -5.690 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.256 -3.037 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.790 -2.954 4.974 1.00 0.00 H new ATOM 907 N VAL A 53 -3.433 -5.939 2.599 1.00 0.00 N ATOM 908 CA VAL A 53 -4.314 -6.184 1.403 1.00 0.00 C ATOM 909 C VAL A 53 -5.780 -5.816 1.688 1.00 0.00 C ATOM 910 O VAL A 53 -6.480 -5.364 0.808 1.00 0.00 O ATOM 911 CB VAL A 53 -4.136 -7.684 1.005 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.778 -8.562 2.208 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.418 -8.235 0.362 1.00 0.00 C ATOM 0 H VAL A 53 -2.667 -6.604 2.702 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.022 -5.543 0.571 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.314 -7.717 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.664 -9.596 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.842 -8.215 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.572 -8.501 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.270 -9.281 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.243 -8.156 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.652 -7.660 -0.534 1.00 0.00 H new ATOM 923 N GLU A 54 -6.246 -5.970 2.897 1.00 0.00 N ATOM 924 CA GLU A 54 -7.653 -5.583 3.179 1.00 0.00 C ATOM 925 C GLU A 54 -7.816 -4.088 2.911 1.00 0.00 C ATOM 926 O GLU A 54 -8.619 -3.673 2.098 1.00 0.00 O ATOM 927 CB GLU A 54 -7.884 -5.910 4.655 1.00 0.00 C ATOM 928 CG GLU A 54 -9.388 -5.986 4.930 1.00 0.00 C ATOM 929 CD GLU A 54 -9.870 -4.653 5.506 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.579 -3.631 4.906 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.521 -4.676 6.537 1.00 0.00 O ATOM 0 H GLU A 54 -5.722 -6.341 3.689 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.373 -6.110 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.409 -6.858 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.426 -5.146 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.926 -6.212 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.600 -6.794 5.630 1.00 0.00 H new ATOM 938 N ARG A 55 -7.036 -3.280 3.568 1.00 0.00 N ATOM 939 CA ARG A 55 -7.112 -1.814 3.338 1.00 0.00 C ATOM 940 C ARG A 55 -6.615 -1.505 1.923 1.00 0.00 C ATOM 941 O ARG A 55 -7.191 -0.711 1.205 1.00 0.00 O ATOM 942 CB ARG A 55 -6.176 -1.201 4.385 1.00 0.00 C ATOM 943 CG ARG A 55 -6.983 -0.343 5.359 1.00 0.00 C ATOM 944 CD ARG A 55 -7.323 0.992 4.696 1.00 0.00 C ATOM 945 NE ARG A 55 -8.734 0.840 4.244 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.731 0.966 5.091 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.512 1.217 6.359 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.958 0.832 4.667 1.00 0.00 N ATOM 0 H ARG A 55 -6.345 -3.574 4.258 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.124 -1.419 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.654 -1.990 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.415 -0.594 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.897 -0.862 5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.412 -0.174 6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.219 1.820 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.658 1.198 3.857 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.929 0.635 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.556 1.317 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.297 1.312 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.139 0.631 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.736 0.929 5.319 1.00 0.00 H new ATOM 962 N ALA A 56 -5.564 -2.155 1.506 1.00 0.00 N ATOM 963 CA ALA A 56 -5.049 -1.928 0.139 1.00 0.00 C ATOM 964 C ALA A 56 -6.109 -2.398 -0.861 1.00 0.00 C ATOM 965 O ALA A 56 -6.117 -1.995 -2.010 1.00 0.00 O ATOM 966 CB ALA A 56 -3.758 -2.758 0.061 1.00 0.00 C ATOM 0 H ALA A 56 -5.042 -2.835 2.059 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.840 -0.883 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.311 -2.644 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.056 -2.411 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.990 -3.809 0.235 1.00 0.00 H new ATOM 972 N ARG A 57 -7.031 -3.229 -0.423 1.00 0.00 N ATOM 973 CA ARG A 57 -8.099 -3.688 -1.341 1.00 0.00 C ATOM 974 C ARG A 57 -9.287 -2.718 -1.283 1.00 0.00 C ATOM 975 O ARG A 57 -10.067 -2.620 -2.208 1.00 0.00 O ATOM 976 CB ARG A 57 -8.509 -5.079 -0.856 1.00 0.00 C ATOM 977 CG ARG A 57 -9.698 -5.578 -1.680 1.00 0.00 C ATOM 978 CD ARG A 57 -9.946 -7.057 -1.379 1.00 0.00 C ATOM 979 NE ARG A 57 -11.373 -7.128 -0.945 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.893 -8.258 -0.528 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.175 -9.352 -0.474 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.145 -8.293 -0.161 1.00 0.00 N ATOM 0 H ARG A 57 -7.081 -3.601 0.526 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.758 -3.722 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.672 -5.770 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.775 -5.044 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.588 -4.994 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.500 -5.441 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.770 -7.674 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.277 -7.419 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.951 -6.288 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.196 -9.334 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.595 -10.222 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.712 -7.446 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.557 -9.168 0.164 1.00 0.00 H new ATOM 996 N TYR A 58 -9.406 -1.975 -0.210 1.00 0.00 N ATOM 997 CA TYR A 58 -10.511 -0.984 -0.099 1.00 0.00 C ATOM 998 C TYR A 58 -10.352 -0.011 -1.241 1.00 0.00 C ATOM 999 O TYR A 58 -11.281 0.376 -1.920 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.244 -0.270 1.229 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.043 1.018 1.319 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.393 1.023 0.961 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.431 2.203 1.763 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.139 2.203 1.045 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.180 3.384 1.849 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.534 3.384 1.490 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.272 4.547 1.577 1.00 0.00 O ATOM 0 H TYR A 58 -8.781 -2.016 0.595 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.510 -1.419 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.508 -0.926 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.180 -0.051 1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.862 0.113 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.386 2.203 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.182 2.203 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.713 4.295 2.192 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.701 5.273 1.904 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.143 0.383 -1.416 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.797 1.349 -2.474 1.00 0.00 C ATOM 1019 C TRP A 59 -8.975 0.710 -3.833 1.00 0.00 C ATOM 1020 O TRP A 59 -9.759 1.158 -4.643 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.352 1.696 -2.162 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.393 2.381 -0.848 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.841 1.949 0.306 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.109 3.587 -0.540 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.162 2.852 1.310 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.943 3.887 0.827 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.868 4.446 -1.333 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.530 5.018 1.395 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.460 5.582 -0.774 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.292 5.871 0.587 1.00 0.00 C ATOM 0 H TRP A 59 -8.352 0.068 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.425 2.239 -2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.732 0.801 -2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.927 2.342 -2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.250 1.053 0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.861 2.764 2.280 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.999 4.233 -2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.398 5.233 2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.050 6.241 -1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.750 6.752 1.013 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.294 -0.363 -4.078 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.476 -1.061 -5.378 1.00 0.00 C ATOM 1043 C LEU A 60 -9.971 -1.336 -5.580 1.00 0.00 C ATOM 1044 O LEU A 60 -10.447 -1.484 -6.689 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.695 -2.369 -5.245 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.204 -2.058 -5.125 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.482 -3.251 -4.496 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.628 -1.790 -6.517 1.00 0.00 C ATOM 0 H LEU A 60 -7.621 -0.789 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.125 -0.480 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.035 -2.921 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.877 -3.004 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.065 -1.178 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.418 -3.029 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.893 -3.444 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.619 -4.132 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.564 -1.568 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.767 -2.671 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.142 -0.940 -6.966 1.00 0.00 H new ATOM 1060 N SER A 61 -10.717 -1.389 -4.501 1.00 0.00 N ATOM 1061 CA SER A 61 -12.176 -1.635 -4.612 1.00 0.00 C ATOM 1062 C SER A 61 -12.911 -0.335 -4.969 1.00 0.00 C ATOM 1063 O SER A 61 -14.013 -0.363 -5.481 1.00 0.00 O ATOM 1064 CB SER A 61 -12.606 -2.139 -3.234 1.00 0.00 C ATOM 1065 OG SER A 61 -12.189 -3.490 -3.078 1.00 0.00 O ATOM 0 H SER A 61 -10.370 -1.271 -3.549 1.00 0.00 H new ATOM 0 HA SER A 61 -12.412 -2.355 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.167 -1.518 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.688 -2.066 -3.128 1.00 0.00 H new ATOM 0 HG SER A 61 -11.229 -3.515 -2.881 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.317 0.806 -4.712 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.001 2.080 -5.053 1.00 0.00 C ATOM 1073 C VAL A 62 -12.455 2.613 -6.381 1.00 0.00 C ATOM 1074 O VAL A 62 -12.384 3.804 -6.610 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.706 3.063 -3.897 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.920 2.387 -2.538 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.263 3.581 -3.973 1.00 0.00 C ATOM 0 H VAL A 62 -11.396 0.904 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.076 1.945 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.396 3.900 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.706 3.098 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.954 2.051 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.252 1.530 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.080 4.271 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.571 2.742 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.112 4.099 -4.920 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.073 1.727 -7.252 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.529 2.155 -8.572 1.00 0.00 C ATOM 1089 C GLY A 63 -10.133 2.758 -8.391 1.00 0.00 C ATOM 1090 O GLY A 63 -9.685 3.553 -9.193 1.00 0.00 O ATOM 0 H GLY A 63 -12.113 0.718 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.481 1.302 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.194 2.888 -9.029 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.435 2.390 -7.348 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.074 2.952 -7.134 1.00 0.00 C ATOM 1096 C ALA A 64 -7.112 2.438 -8.211 1.00 0.00 C ATOM 1097 O ALA A 64 -7.136 1.279 -8.575 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.648 2.451 -5.756 1.00 0.00 C ATOM 0 H ALA A 64 -9.749 1.727 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.066 4.040 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.650 2.825 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.352 2.809 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.637 1.361 -5.753 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.265 3.290 -8.721 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.303 2.845 -9.772 1.00 0.00 C ATOM 1106 C GLN A 65 -3.892 2.714 -9.177 1.00 0.00 C ATOM 1107 O GLN A 65 -3.255 3.705 -8.879 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.340 3.945 -10.834 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.011 3.413 -12.104 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.010 3.444 -13.260 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.275 4.399 -13.417 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.950 2.433 -14.083 1.00 0.00 N ATOM 0 H GLN A 65 -6.197 4.273 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.564 1.871 -10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.886 4.810 -10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.328 4.281 -11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.365 2.395 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.884 4.019 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.567 1.631 -13.952 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.286 2.445 -14.858 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.446 1.492 -9.015 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.099 1.250 -8.450 1.00 0.00 C ATOM 1123 C PRO A 66 -1.029 1.379 -9.540 1.00 0.00 C ATOM 1124 O PRO A 66 -1.152 0.813 -10.607 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.177 -0.189 -7.958 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.230 -0.843 -8.802 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.143 0.237 -9.327 1.00 0.00 C ATOM 0 HA PRO A 66 -1.831 1.960 -7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.217 -0.694 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.440 -0.229 -6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.772 -1.389 -9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.794 -1.567 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.308 0.131 -10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.121 0.197 -8.848 1.00 0.00 H new ATOM 1135 N THR A 67 0.024 2.108 -9.280 1.00 0.00 N ATOM 1136 CA THR A 67 1.099 2.252 -10.307 1.00 0.00 C ATOM 1137 C THR A 67 1.660 0.872 -10.664 1.00 0.00 C ATOM 1138 O THR A 67 1.415 -0.095 -9.979 1.00 0.00 O ATOM 1139 CB THR A 67 2.176 3.110 -9.641 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.225 2.811 -8.253 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.847 4.590 -9.836 1.00 0.00 C ATOM 0 H THR A 67 0.187 2.608 -8.406 1.00 0.00 H new ATOM 0 HA THR A 67 0.735 2.704 -11.230 1.00 0.00 H new ATOM 0 HB THR A 67 3.144 2.895 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.916 3.359 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.616 5.199 -9.361 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.811 4.817 -10.901 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.879 4.810 -9.385 1.00 0.00 H new ATOM 1149 N ASP A 68 2.407 0.769 -11.729 1.00 0.00 N ATOM 1150 CA ASP A 68 2.969 -0.561 -12.118 1.00 0.00 C ATOM 1151 C ASP A 68 3.849 -1.132 -10.999 1.00 0.00 C ATOM 1152 O ASP A 68 4.013 -2.331 -10.878 1.00 0.00 O ATOM 1153 CB ASP A 68 3.806 -0.291 -13.369 1.00 0.00 C ATOM 1154 CG ASP A 68 4.943 0.672 -13.025 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.658 1.714 -12.458 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.078 0.351 -13.335 1.00 0.00 O ATOM 0 H ASP A 68 2.653 1.543 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 68 2.182 -1.293 -12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.212 -1.226 -13.757 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.180 0.134 -14.153 1.00 0.00 H new ATOM 1161 N THR A 69 4.415 -0.289 -10.184 1.00 0.00 N ATOM 1162 CA THR A 69 5.285 -0.787 -9.077 1.00 0.00 C ATOM 1163 C THR A 69 4.440 -1.156 -7.857 1.00 0.00 C ATOM 1164 O THR A 69 4.546 -2.240 -7.319 1.00 0.00 O ATOM 1165 CB THR A 69 6.185 0.386 -8.740 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.697 0.955 -9.937 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.342 -0.075 -7.849 1.00 0.00 C ATOM 0 H THR A 69 4.315 0.725 -10.234 1.00 0.00 H new ATOM 0 HA THR A 69 5.843 -1.678 -9.364 1.00 0.00 H new ATOM 0 HB THR A 69 5.604 1.136 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.277 1.714 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.981 0.776 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.945 -0.497 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.925 -0.833 -8.373 1.00 0.00 H new ATOM 1175 N ALA A 70 3.601 -0.258 -7.419 1.00 0.00 N ATOM 1176 CA ALA A 70 2.749 -0.546 -6.241 1.00 0.00 C ATOM 1177 C ALA A 70 1.708 -1.583 -6.627 1.00 0.00 C ATOM 1178 O ALA A 70 1.228 -2.335 -5.801 1.00 0.00 O ATOM 1179 CB ALA A 70 2.089 0.787 -5.886 1.00 0.00 C ATOM 0 H ALA A 70 3.472 0.666 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 70 3.310 -0.943 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.441 0.653 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.858 1.523 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.497 1.137 -6.732 1.00 0.00 H new ATOM 1185 N ARG A 71 1.379 -1.656 -7.886 1.00 0.00 N ATOM 1186 CA ARG A 71 0.405 -2.673 -8.317 1.00 0.00 C ATOM 1187 C ARG A 71 1.087 -4.020 -8.177 1.00 0.00 C ATOM 1188 O ARG A 71 0.486 -5.005 -7.793 1.00 0.00 O ATOM 1189 CB ARG A 71 0.088 -2.367 -9.782 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.786 -3.481 -10.359 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.089 -4.106 -11.569 1.00 0.00 C ATOM 1192 NE ARG A 71 0.003 -3.005 -12.571 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.644 -3.177 -13.704 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.226 -4.319 -13.980 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.703 -2.199 -14.565 1.00 0.00 N ATOM 0 H ARG A 71 1.745 -1.055 -8.625 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.516 -2.675 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.426 -1.409 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.012 -2.281 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.971 -4.242 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.756 -3.081 -10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.899 -4.483 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.658 -4.950 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.438 -2.107 -12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.184 -5.088 -13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.721 -4.439 -14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.253 -1.308 -14.356 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.199 -2.325 -15.447 1.00 0.00 H new ATOM 1209 N ARG A 72 2.364 -4.056 -8.455 1.00 0.00 N ATOM 1210 CA ARG A 72 3.106 -5.327 -8.311 1.00 0.00 C ATOM 1211 C ARG A 72 3.132 -5.706 -6.834 1.00 0.00 C ATOM 1212 O ARG A 72 2.958 -6.851 -6.468 1.00 0.00 O ATOM 1213 CB ARG A 72 4.517 -5.035 -8.822 1.00 0.00 C ATOM 1214 CG ARG A 72 4.903 -6.078 -9.872 1.00 0.00 C ATOM 1215 CD ARG A 72 6.248 -6.706 -9.496 1.00 0.00 C ATOM 1216 NE ARG A 72 6.451 -7.809 -10.479 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.884 -7.560 -11.693 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.105 -6.331 -12.090 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.090 -8.549 -12.519 1.00 0.00 N ATOM 0 H ARG A 72 2.917 -3.260 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 72 2.655 -6.152 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.560 -4.035 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.227 -5.056 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.134 -6.848 -9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.969 -5.613 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.054 -5.974 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.234 -7.086 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 72 6.251 -8.771 -10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.941 -5.552 -11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.441 -6.153 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.915 -9.508 -12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.426 -8.363 -13.464 1.00 0.00 H new ATOM 1233 N LEU A 73 3.333 -4.736 -5.983 1.00 0.00 N ATOM 1234 CA LEU A 73 3.357 -5.013 -4.530 1.00 0.00 C ATOM 1235 C LEU A 73 1.955 -5.380 -4.069 1.00 0.00 C ATOM 1236 O LEU A 73 1.779 -6.137 -3.138 1.00 0.00 O ATOM 1237 CB LEU A 73 3.831 -3.719 -3.870 1.00 0.00 C ATOM 1238 CG LEU A 73 5.188 -3.314 -4.450 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.421 -1.821 -4.212 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.295 -4.116 -3.762 1.00 0.00 C ATOM 0 H LEU A 73 3.482 -3.760 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 73 4.014 -5.843 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.102 -2.926 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.912 -3.857 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 73 5.200 -3.518 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.388 -1.533 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.633 -1.247 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.409 -1.617 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.262 -3.829 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.281 -3.911 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.131 -5.180 -3.930 1.00 0.00 H new ATOM 1252 N LEU A 74 0.955 -4.884 -4.738 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.423 -5.260 -4.359 1.00 0.00 C ATOM 1254 C LEU A 74 -0.641 -6.699 -4.814 1.00 0.00 C ATOM 1255 O LEU A 74 -1.405 -7.446 -4.238 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.337 -4.294 -5.110 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.389 -2.967 -4.355 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.253 -1.974 -5.129 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.994 -3.196 -2.967 1.00 0.00 C ATOM 0 H LEU A 74 1.035 -4.240 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.618 -5.202 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.966 -4.136 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.338 -4.716 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.380 -2.567 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.290 -1.027 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.824 -1.812 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.262 -2.373 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.032 -2.250 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.003 -3.595 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.378 -3.905 -2.414 1.00 0.00 H new ATOM 1271 N ARG A 75 0.072 -7.099 -5.835 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.033 -8.488 -6.329 1.00 0.00 C ATOM 1273 C ARG A 75 0.861 -9.371 -5.465 1.00 0.00 C ATOM 1274 O ARG A 75 0.601 -10.539 -5.263 1.00 0.00 O ATOM 1275 CB ARG A 75 0.490 -8.434 -7.766 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.321 -9.386 -8.644 1.00 0.00 C ATOM 1277 CD ARG A 75 0.545 -10.585 -9.040 1.00 0.00 C ATOM 1278 NE ARG A 75 0.956 -10.321 -10.450 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.091 -10.413 -11.433 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.160 -10.722 -11.202 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.484 -10.192 -12.658 1.00 0.00 N ATOM 0 H ARG A 75 0.728 -6.509 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.046 -8.889 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.418 -7.417 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.544 -8.710 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.207 -9.726 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.669 -8.866 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.413 -10.677 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.013 -11.518 -8.961 1.00 0.00 H new ATOM 0 HE ARG A 75 1.922 -10.066 -10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.475 -10.895 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.820 -10.790 -11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.457 -9.950 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.182 -10.261 -13.428 1.00 0.00 H new ATOM 1295 N GLN A 76 1.921 -8.801 -4.953 1.00 0.00 N ATOM 1296 CA GLN A 76 2.848 -9.572 -4.101 1.00 0.00 C ATOM 1297 C GLN A 76 2.344 -9.592 -2.669 1.00 0.00 C ATOM 1298 O GLN A 76 2.532 -10.543 -1.936 1.00 0.00 O ATOM 1299 CB GLN A 76 4.162 -8.817 -4.226 1.00 0.00 C ATOM 1300 CG GLN A 76 5.329 -9.790 -4.090 1.00 0.00 C ATOM 1301 CD GLN A 76 5.834 -10.169 -5.481 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.023 -11.332 -5.777 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.059 -9.228 -6.358 1.00 0.00 N ATOM 0 H GLN A 76 2.179 -7.824 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 76 2.947 -10.617 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.210 -8.309 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.225 -8.048 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.132 -9.334 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.013 -10.682 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.900 -8.251 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.393 -9.470 -7.291 1.00 0.00 H new ATOM 1312 N ALA A 77 1.680 -8.556 -2.281 1.00 0.00 N ATOM 1313 CA ALA A 77 1.121 -8.494 -0.909 1.00 0.00 C ATOM 1314 C ALA A 77 -0.050 -9.481 -0.778 1.00 0.00 C ATOM 1315 O ALA A 77 -0.571 -9.699 0.297 1.00 0.00 O ATOM 1316 CB ALA A 77 0.627 -7.058 -0.751 1.00 0.00 C ATOM 0 H ALA A 77 1.495 -7.736 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 77 1.854 -8.759 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.197 -6.928 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.463 -6.370 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.132 -6.849 -1.505 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.469 -10.074 -1.868 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.605 -11.037 -1.811 1.00 0.00 C ATOM 1324 C GLY A 78 -2.925 -10.267 -1.850 1.00 0.00 C ATOM 1325 O GLY A 78 -3.797 -10.475 -1.029 1.00 0.00 O ATOM 0 H GLY A 78 -0.071 -9.931 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.551 -11.731 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.546 -11.633 -0.900 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.082 -9.372 -2.791 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.347 -8.592 -2.866 1.00 0.00 C ATOM 1331 C VAL A 79 -5.257 -9.119 -3.977 1.00 0.00 C ATOM 1332 O VAL A 79 -6.372 -9.531 -3.728 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.937 -7.153 -3.160 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.165 -6.246 -3.062 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.887 -6.688 -2.148 1.00 0.00 C ATOM 0 H VAL A 79 -2.390 -9.150 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.909 -8.672 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.515 -7.102 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.875 -5.217 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.913 -6.567 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.583 -6.307 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.601 -5.659 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.302 -6.743 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.009 -7.330 -2.214 1.00 0.00 H new