USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=11 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 180:sc= -0.0455 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -0.107 (180deg=-0.586) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 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 : amide:sc= -0.0258 K(o=-0.026,f=-0.77) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 69 THR OG1 : rot -46:sc= 0.0137! USER MOD Single : A 76 GLN :FLIP amide:sc= -0.127 F(o=-0.84,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.593 8.350 -7.095 1.00 0.00 N ATOM 21 CA VAL A 2 -7.920 7.533 -6.043 1.00 0.00 C ATOM 22 C VAL A 2 -6.855 6.633 -6.677 1.00 0.00 C ATOM 23 O VAL A 2 -7.142 5.830 -7.541 1.00 0.00 O ATOM 24 CB VAL A 2 -9.032 6.692 -5.418 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.470 5.890 -4.243 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.145 7.615 -4.915 1.00 0.00 C ATOM 0 HA VAL A 2 -7.414 8.151 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.433 6.008 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.265 5.291 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.675 5.233 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.069 6.574 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.940 7.017 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.741 8.298 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.548 8.188 -5.750 1.00 0.00 H new ATOM 36 N LYS A 3 -5.625 6.768 -6.258 1.00 0.00 N ATOM 37 CA LYS A 3 -4.542 5.922 -6.840 1.00 0.00 C ATOM 38 C LYS A 3 -3.560 5.479 -5.751 1.00 0.00 C ATOM 39 O LYS A 3 -3.132 6.269 -4.932 1.00 0.00 O ATOM 40 CB LYS A 3 -3.836 6.830 -7.848 1.00 0.00 C ATOM 41 CG LYS A 3 -4.671 6.926 -9.127 1.00 0.00 C ATOM 42 CD LYS A 3 -4.069 7.987 -10.051 1.00 0.00 C ATOM 43 CE LYS A 3 -2.637 7.591 -10.420 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.226 8.569 -11.465 1.00 0.00 N ATOM 0 H LYS A 3 -5.323 7.426 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.934 5.015 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.692 7.822 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.846 6.435 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.695 5.960 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.702 7.184 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.674 8.085 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.073 8.959 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.978 7.639 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.594 6.569 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.253 8.363 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.867 8.496 -12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.270 9.532 -11.075 1.00 0.00 H new ATOM 58 N ILE A 4 -3.184 4.227 -5.741 1.00 0.00 N ATOM 59 CA ILE A 4 -2.215 3.754 -4.715 1.00 0.00 C ATOM 60 C ILE A 4 -0.827 3.625 -5.353 1.00 0.00 C ATOM 61 O ILE A 4 -0.683 3.112 -6.444 1.00 0.00 O ATOM 62 CB ILE A 4 -2.750 2.406 -4.233 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.021 2.634 -3.417 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.703 1.709 -3.359 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.762 1.310 -3.260 1.00 0.00 C ATOM 0 H ILE A 4 -3.506 3.516 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.113 4.442 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.970 1.777 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.770 3.042 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.659 3.365 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.093 0.749 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.794 1.547 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.476 2.334 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.670 1.468 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.025 0.921 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.122 0.593 -2.746 1.00 0.00 H new ATOM 77 N ARG A 5 0.195 4.100 -4.694 1.00 0.00 N ATOM 78 CA ARG A 5 1.559 4.016 -5.285 1.00 0.00 C ATOM 79 C ARG A 5 2.626 3.930 -4.192 1.00 0.00 C ATOM 80 O ARG A 5 2.328 3.717 -3.036 1.00 0.00 O ATOM 81 CB ARG A 5 1.722 5.303 -6.093 1.00 0.00 C ATOM 82 CG ARG A 5 1.473 6.509 -5.187 1.00 0.00 C ATOM 83 CD ARG A 5 1.564 7.793 -6.011 1.00 0.00 C ATOM 84 NE ARG A 5 3.013 8.148 -6.012 1.00 0.00 N ATOM 85 CZ ARG A 5 3.469 9.110 -6.778 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.665 9.784 -7.563 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.740 9.402 -6.757 1.00 0.00 N ATOM 0 H ARG A 5 0.144 4.541 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 5 1.678 3.125 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.725 5.354 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.022 5.312 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.490 6.431 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.206 6.529 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.195 7.639 -7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.963 8.588 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 5 3.657 7.636 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.669 9.563 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.035 10.529 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.372 8.883 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.102 10.149 -7.350 1.00 0.00 H new ATOM 101 N LEU A 6 3.870 4.096 -4.556 1.00 0.00 N ATOM 102 CA LEU A 6 4.965 4.023 -3.547 1.00 0.00 C ATOM 103 C LEU A 6 5.225 5.402 -2.937 1.00 0.00 C ATOM 104 O LEU A 6 5.357 6.389 -3.635 1.00 0.00 O ATOM 105 CB LEU A 6 6.191 3.563 -4.337 1.00 0.00 C ATOM 106 CG LEU A 6 6.138 2.050 -4.524 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.354 1.718 -5.795 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.562 1.501 -4.645 1.00 0.00 C ATOM 0 H LEU A 6 4.175 4.280 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 6 4.720 3.351 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.219 4.059 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.103 3.843 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 6 5.644 1.596 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.317 0.637 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.340 2.108 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.846 2.172 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.525 0.420 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.056 1.956 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.121 1.736 -3.739 1.00 0.00 H new ATOM 120 N ALA A 7 5.298 5.471 -1.638 1.00 0.00 N ATOM 121 CA ALA A 7 5.550 6.776 -0.965 1.00 0.00 C ATOM 122 C ALA A 7 6.972 6.817 -0.412 1.00 0.00 C ATOM 123 O ALA A 7 7.300 6.109 0.509 1.00 0.00 O ATOM 124 CB ALA A 7 4.539 6.806 0.174 1.00 0.00 C ATOM 0 H ALA A 7 5.193 4.675 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 7 5.449 7.626 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.647 7.736 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.530 6.743 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.715 5.961 0.839 1.00 0.00 H new ATOM 130 N ARG A 8 7.820 7.630 -0.975 1.00 0.00 N ATOM 131 CA ARG A 8 9.224 7.685 -0.489 1.00 0.00 C ATOM 132 C ARG A 8 9.395 8.652 0.687 1.00 0.00 C ATOM 133 O ARG A 8 9.250 9.851 0.549 1.00 0.00 O ATOM 134 CB ARG A 8 10.034 8.163 -1.696 1.00 0.00 C ATOM 135 CG ARG A 8 11.493 8.389 -1.287 1.00 0.00 C ATOM 136 CD ARG A 8 12.397 8.244 -2.511 1.00 0.00 C ATOM 137 NE ARG A 8 13.738 7.893 -1.957 1.00 0.00 N ATOM 138 CZ ARG A 8 14.483 8.803 -1.372 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.067 10.039 -1.251 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.654 8.470 -0.903 1.00 0.00 N ATOM 0 H ARG A 8 7.602 8.257 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 8 9.549 6.714 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.981 7.425 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.609 9.087 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.610 9.381 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.782 7.669 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.031 7.467 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.436 9.170 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 8 14.080 6.935 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.152 10.307 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.658 10.734 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.985 7.509 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.239 9.170 -0.447 1.00 0.00 H new ATOM 276 N TYR A 17 9.629 2.792 1.506 1.00 0.00 N ATOM 277 CA TYR A 17 8.456 3.467 0.919 1.00 0.00 C ATOM 278 C TYR A 17 7.211 2.782 1.439 1.00 0.00 C ATOM 279 O TYR A 17 7.294 1.762 2.081 1.00 0.00 O ATOM 280 CB TYR A 17 8.512 3.209 -0.583 1.00 0.00 C ATOM 281 CG TYR A 17 9.750 3.768 -1.239 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.609 4.635 -0.559 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.021 3.412 -2.562 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.737 5.144 -1.202 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.147 3.917 -3.208 1.00 0.00 C ATOM 286 CZ TYR A 17 12.010 4.786 -2.529 1.00 0.00 C ATOM 287 OH TYR A 17 13.126 5.289 -3.166 1.00 0.00 O ATOM 0 HA TYR A 17 8.447 4.530 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.468 2.135 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.631 3.647 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.400 4.911 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.355 2.743 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.401 5.815 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.354 3.639 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 17 13.166 4.939 -4.081 1.00 0.00 H new ATOM 297 N ARG A 18 6.061 3.286 1.118 1.00 0.00 N ATOM 298 CA ARG A 18 4.826 2.594 1.538 1.00 0.00 C ATOM 299 C ARG A 18 3.891 2.548 0.342 1.00 0.00 C ATOM 300 O ARG A 18 3.989 3.358 -0.559 1.00 0.00 O ATOM 301 CB ARG A 18 4.232 3.421 2.673 1.00 0.00 C ATOM 302 CG ARG A 18 4.441 2.700 4.005 1.00 0.00 C ATOM 303 CD ARG A 18 4.821 3.723 5.080 1.00 0.00 C ATOM 304 NE ARG A 18 4.017 3.344 6.278 1.00 0.00 N ATOM 305 CZ ARG A 18 4.138 4.010 7.404 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.963 5.023 7.503 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.424 3.657 8.439 1.00 0.00 N ATOM 0 H ARG A 18 5.924 4.145 0.585 1.00 0.00 H new ATOM 0 HA ARG A 18 5.002 1.574 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.702 4.404 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.168 3.582 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.531 2.173 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.226 1.950 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.889 3.690 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.592 4.738 4.757 1.00 0.00 H new ATOM 0 HE ARG A 18 3.367 2.560 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.523 5.305 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.045 5.530 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.779 2.870 8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.511 4.168 9.317 1.00 0.00 H new ATOM 321 N ILE A 19 2.964 1.645 0.333 1.00 0.00 N ATOM 322 CA ILE A 19 2.012 1.599 -0.789 1.00 0.00 C ATOM 323 C ILE A 19 0.809 2.344 -0.255 1.00 0.00 C ATOM 324 O ILE A 19 -0.071 1.794 0.373 1.00 0.00 O ATOM 325 CB ILE A 19 1.687 0.125 -1.090 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.711 -0.846 -0.487 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.714 -0.085 -2.599 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.097 -0.499 -1.014 1.00 0.00 C ATOM 0 H ILE A 19 2.826 0.938 1.055 1.00 0.00 H new ATOM 0 HA ILE A 19 2.376 2.037 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 19 0.710 -0.079 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.695 -0.781 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.455 -1.873 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.485 -1.126 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.972 0.560 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.704 0.161 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.830 -1.185 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.105 -0.586 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.349 0.523 -0.730 1.00 0.00 H new ATOM 340 N VAL A 20 0.851 3.629 -0.410 1.00 0.00 N ATOM 341 CA VAL A 20 -0.183 4.499 0.175 1.00 0.00 C ATOM 342 C VAL A 20 -1.255 4.873 -0.856 1.00 0.00 C ATOM 343 O VAL A 20 -1.085 4.694 -2.045 1.00 0.00 O ATOM 344 CB VAL A 20 0.665 5.698 0.666 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.563 6.903 -0.273 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.231 6.099 2.070 1.00 0.00 C ATOM 0 H VAL A 20 1.577 4.121 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.768 4.045 0.975 1.00 0.00 H new ATOM 0 HB VAL A 20 1.707 5.378 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.175 7.718 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.917 6.622 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.476 7.227 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.832 6.943 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.821 6.384 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.372 5.258 2.749 1.00 0.00 H new ATOM 356 N VAL A 21 -2.371 5.361 -0.388 1.00 0.00 N ATOM 357 CA VAL A 21 -3.487 5.719 -1.302 1.00 0.00 C ATOM 358 C VAL A 21 -3.606 7.242 -1.420 1.00 0.00 C ATOM 359 O VAL A 21 -4.029 7.913 -0.502 1.00 0.00 O ATOM 360 CB VAL A 21 -4.766 5.131 -0.663 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.615 4.498 -1.754 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.451 4.051 0.379 1.00 0.00 C ATOM 0 H VAL A 21 -2.557 5.528 0.601 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.324 5.326 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.289 5.947 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.520 4.080 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.886 5.255 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.049 3.704 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.381 3.669 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.905 3.236 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.842 4.480 1.175 1.00 0.00 H new ATOM 372 N THR A 22 -3.237 7.793 -2.547 1.00 0.00 N ATOM 373 CA THR A 22 -3.331 9.274 -2.717 1.00 0.00 C ATOM 374 C THR A 22 -3.965 9.625 -4.065 1.00 0.00 C ATOM 375 O THR A 22 -4.431 8.768 -4.789 1.00 0.00 O ATOM 376 CB THR A 22 -1.887 9.787 -2.673 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.865 11.160 -3.037 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.019 8.988 -3.648 1.00 0.00 C ATOM 0 H THR A 22 -2.876 7.284 -3.354 1.00 0.00 H new ATOM 0 HA THR A 22 -3.951 9.723 -1.941 1.00 0.00 H new ATOM 0 HB THR A 22 -1.494 9.667 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.943 11.491 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.005 9.359 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.034 7.934 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.409 9.101 -4.659 1.00 0.00 H new ATOM 543 N TYR A 32 -1.463 11.480 0.779 1.00 0.00 N ATOM 544 CA TYR A 32 -2.423 10.356 0.546 1.00 0.00 C ATOM 545 C TYR A 32 -3.596 10.426 1.521 1.00 0.00 C ATOM 546 O TYR A 32 -3.663 11.283 2.381 1.00 0.00 O ATOM 547 CB TYR A 32 -1.630 9.060 0.767 1.00 0.00 C ATOM 548 CG TYR A 32 -0.877 9.122 2.075 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.536 8.845 3.278 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.482 9.455 2.082 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.835 8.900 4.488 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.184 9.511 3.291 1.00 0.00 C ATOM 553 CZ TYR A 32 0.525 9.234 4.495 1.00 0.00 C ATOM 554 OH TYR A 32 1.217 9.289 5.690 1.00 0.00 O ATOM 0 HA TYR A 32 -2.841 10.407 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.308 8.207 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.931 8.909 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.585 8.589 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.990 9.669 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.343 8.685 5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.233 9.768 3.296 1.00 0.00 H new ATOM 0 HH TYR A 32 2.150 9.534 5.517 1.00 0.00 H new ATOM 564 N ILE A 33 -4.524 9.520 1.384 1.00 0.00 N ATOM 565 CA ILE A 33 -5.706 9.503 2.285 1.00 0.00 C ATOM 566 C ILE A 33 -5.427 8.609 3.499 1.00 0.00 C ATOM 567 O ILE A 33 -5.726 8.961 4.623 1.00 0.00 O ATOM 568 CB ILE A 33 -6.830 8.925 1.418 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.227 9.952 0.354 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.047 8.596 2.282 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.521 9.624 -0.961 1.00 0.00 C ATOM 0 H ILE A 33 -4.512 8.784 0.678 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.959 10.487 2.679 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.477 8.012 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.308 9.944 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.957 10.955 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.839 8.186 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.768 7.863 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.403 9.504 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.804 10.355 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.442 9.655 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.813 8.627 -1.292 1.00 0.00 H new ATOM 583 N GLU A 34 -4.856 7.456 3.279 1.00 0.00 N ATOM 584 CA GLU A 34 -4.560 6.540 4.418 1.00 0.00 C ATOM 585 C GLU A 34 -3.371 5.636 4.078 1.00 0.00 C ATOM 586 O GLU A 34 -2.843 5.674 2.984 1.00 0.00 O ATOM 587 CB GLU A 34 -5.831 5.708 4.597 1.00 0.00 C ATOM 588 CG GLU A 34 -6.246 5.718 6.070 1.00 0.00 C ATOM 589 CD GLU A 34 -6.404 4.280 6.565 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.686 3.423 6.074 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.239 4.059 7.426 1.00 0.00 O ATOM 0 H GLU A 34 -4.582 7.109 2.360 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.296 7.083 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.633 6.113 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.658 4.685 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.497 6.239 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.184 6.261 6.191 1.00 0.00 H new ATOM 598 N LYS A 35 -2.947 4.824 5.007 1.00 0.00 N ATOM 599 CA LYS A 35 -1.795 3.916 4.736 1.00 0.00 C ATOM 600 C LYS A 35 -2.280 2.468 4.634 1.00 0.00 C ATOM 601 O LYS A 35 -2.767 1.898 5.591 1.00 0.00 O ATOM 602 CB LYS A 35 -0.865 4.084 5.938 1.00 0.00 C ATOM 603 CG LYS A 35 -0.399 5.537 6.026 1.00 0.00 C ATOM 604 CD LYS A 35 -0.273 5.945 7.496 1.00 0.00 C ATOM 605 CE LYS A 35 -0.725 7.397 7.667 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.206 7.362 7.508 1.00 0.00 N ATOM 0 H LYS A 35 -3.348 4.749 5.942 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.294 4.153 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.384 3.802 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.005 3.421 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.560 5.653 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.108 6.189 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.880 5.289 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.759 5.834 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.442 7.786 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.263 8.044 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.632 8.142 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.450 7.465 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.572 6.455 7.862 1.00 0.00 H new ATOM 620 N ILE A 36 -2.160 1.869 3.481 1.00 0.00 N ATOM 621 CA ILE A 36 -2.624 0.455 3.325 1.00 0.00 C ATOM 622 C ILE A 36 -1.450 -0.474 3.081 1.00 0.00 C ATOM 623 O ILE A 36 -1.477 -1.632 3.452 1.00 0.00 O ATOM 624 CB ILE A 36 -3.552 0.475 2.115 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.820 1.107 0.920 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.790 1.298 2.459 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.619 0.892 -0.359 1.00 0.00 C ATOM 0 H ILE A 36 -1.763 2.292 2.642 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.126 0.090 4.221 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.848 -0.541 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.678 2.174 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.829 0.666 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.462 1.320 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.302 0.847 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.492 2.315 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.091 1.344 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.738 -0.177 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.601 1.355 -0.257 1.00 0.00 H new ATOM 639 N GLY A 37 -0.429 0.006 2.446 1.00 0.00 N ATOM 640 CA GLY A 37 0.721 -0.876 2.167 1.00 0.00 C ATOM 641 C GLY A 37 2.010 -0.334 2.774 1.00 0.00 C ATOM 642 O GLY A 37 2.110 0.817 3.152 1.00 0.00 O ATOM 0 H GLY A 37 -0.342 0.965 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.521 -1.871 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.844 -0.983 1.089 1.00 0.00 H new ATOM 646 N TYR A 38 3.017 -1.163 2.807 1.00 0.00 N ATOM 647 CA TYR A 38 4.348 -0.735 3.315 1.00 0.00 C ATOM 648 C TYR A 38 5.425 -1.366 2.429 1.00 0.00 C ATOM 649 O TYR A 38 5.375 -2.544 2.136 1.00 0.00 O ATOM 650 CB TYR A 38 4.446 -1.262 4.747 1.00 0.00 C ATOM 651 CG TYR A 38 5.627 -0.614 5.435 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.933 -0.970 5.072 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.415 0.345 6.433 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.025 -0.369 5.710 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.508 0.947 7.069 1.00 0.00 C ATOM 656 CZ TYR A 38 7.812 0.590 6.707 1.00 0.00 C ATOM 657 OH TYR A 38 8.889 1.182 7.336 1.00 0.00 O ATOM 0 H TYR A 38 2.971 -2.134 2.498 1.00 0.00 H new ATOM 0 HA TYR A 38 4.480 0.347 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.527 -1.043 5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.563 -2.346 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.097 -1.708 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.409 0.620 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.032 -0.645 5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.345 1.687 7.839 1.00 0.00 H new ATOM 0 HH TYR A 38 8.566 1.825 8.001 1.00 0.00 H new ATOM 667 N TYR A 39 6.395 -0.609 1.996 1.00 0.00 N ATOM 668 CA TYR A 39 7.454 -1.207 1.130 1.00 0.00 C ATOM 669 C TYR A 39 8.838 -0.923 1.727 1.00 0.00 C ATOM 670 O TYR A 39 9.079 0.132 2.278 1.00 0.00 O ATOM 671 CB TYR A 39 7.330 -0.533 -0.242 1.00 0.00 C ATOM 672 CG TYR A 39 8.456 -1.015 -1.135 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.745 -0.490 -0.989 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.212 -2.006 -2.093 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.786 -0.954 -1.803 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.254 -2.469 -2.906 1.00 0.00 C ATOM 677 CZ TYR A 39 10.541 -1.944 -2.760 1.00 0.00 C ATOM 678 OH TYR A 39 11.567 -2.400 -3.560 1.00 0.00 O ATOM 0 H TYR A 39 6.502 0.385 2.200 1.00 0.00 H new ATOM 0 HA TYR A 39 7.336 -2.288 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.366 -0.770 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.373 0.551 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.937 0.273 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.218 -2.414 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.780 -0.546 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.063 -3.232 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 39 11.226 -3.088 -4.169 1.00 0.00 H new ATOM 688 N ASP A 40 9.753 -1.839 1.601 1.00 0.00 N ATOM 689 CA ASP A 40 11.124 -1.600 2.139 1.00 0.00 C ATOM 690 C ASP A 40 12.169 -2.171 1.170 1.00 0.00 C ATOM 691 O ASP A 40 12.314 -3.369 1.066 1.00 0.00 O ATOM 692 CB ASP A 40 11.156 -2.345 3.475 1.00 0.00 C ATOM 693 CG ASP A 40 11.978 -1.550 4.494 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.200 -0.373 4.261 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.369 -2.133 5.492 1.00 0.00 O ATOM 0 H ASP A 40 9.614 -2.743 1.150 1.00 0.00 H new ATOM 0 HA ASP A 40 11.350 -0.541 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.141 -2.489 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.589 -3.336 3.339 1.00 0.00 H new ATOM 838 N LEU A 49 7.989 -6.856 1.607 1.00 0.00 N ATOM 839 CA LEU A 49 6.688 -6.172 1.345 1.00 0.00 C ATOM 840 C LEU A 49 5.658 -6.529 2.416 1.00 0.00 C ATOM 841 O LEU A 49 5.413 -7.684 2.703 1.00 0.00 O ATOM 842 CB LEU A 49 6.232 -6.701 -0.016 1.00 0.00 C ATOM 843 CG LEU A 49 4.997 -5.933 -0.517 1.00 0.00 C ATOM 844 CD1 LEU A 49 3.753 -6.442 0.210 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.147 -4.423 -0.272 1.00 0.00 C ATOM 0 HA LEU A 49 6.793 -5.087 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.043 -6.605 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.998 -7.763 0.062 1.00 0.00 H new ATOM 0 HG LEU A 49 4.901 -6.100 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.877 -5.899 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.625 -7.506 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.869 -6.285 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.259 -3.905 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.263 -4.237 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.025 -4.054 -0.802 1.00 0.00 H new ATOM 857 N LYS A 50 5.039 -5.539 2.990 1.00 0.00 N ATOM 858 CA LYS A 50 4.004 -5.802 4.027 1.00 0.00 C ATOM 859 C LYS A 50 2.784 -4.924 3.750 1.00 0.00 C ATOM 860 O LYS A 50 2.722 -3.784 4.170 1.00 0.00 O ATOM 861 CB LYS A 50 4.657 -5.416 5.354 1.00 0.00 C ATOM 862 CG LYS A 50 3.662 -5.634 6.494 1.00 0.00 C ATOM 863 CD LYS A 50 4.419 -6.047 7.758 1.00 0.00 C ATOM 864 CE LYS A 50 3.478 -5.975 8.963 1.00 0.00 C ATOM 865 NZ LYS A 50 4.187 -6.710 10.047 1.00 0.00 N ATOM 0 H LYS A 50 5.205 -4.554 2.785 1.00 0.00 H new ATOM 0 HA LYS A 50 3.669 -6.839 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.552 -6.015 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.972 -4.373 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.097 -4.720 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.942 -6.405 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.808 -7.059 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.276 -5.391 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.281 -4.942 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.514 -6.433 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.604 -6.705 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.355 -7.692 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.098 -6.247 10.242 1.00 0.00 H new ATOM 879 N VAL A 51 1.817 -5.431 3.033 1.00 0.00 N ATOM 880 CA VAL A 51 0.621 -4.601 2.729 1.00 0.00 C ATOM 881 C VAL A 51 -0.624 -5.162 3.413 1.00 0.00 C ATOM 882 O VAL A 51 -0.905 -6.342 3.355 1.00 0.00 O ATOM 883 CB VAL A 51 0.477 -4.628 1.180 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.990 -4.803 0.743 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.970 -3.310 0.604 1.00 0.00 C ATOM 0 H VAL A 51 1.805 -6.376 2.649 1.00 0.00 H new ATOM 0 HA VAL A 51 0.733 -3.582 3.100 1.00 0.00 H new ATOM 0 HB VAL A 51 1.063 -5.472 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.046 -4.817 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.378 -5.742 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.585 -3.974 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.870 -3.327 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.377 -2.491 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.017 -3.166 0.870 1.00 0.00 H new ATOM 895 N ASP A 52 -1.406 -4.304 3.999 1.00 0.00 N ATOM 896 CA ASP A 52 -2.668 -4.769 4.611 1.00 0.00 C ATOM 897 C ASP A 52 -3.649 -4.991 3.466 1.00 0.00 C ATOM 898 O ASP A 52 -4.576 -4.228 3.281 1.00 0.00 O ATOM 899 CB ASP A 52 -3.127 -3.620 5.512 1.00 0.00 C ATOM 900 CG ASP A 52 -3.926 -4.179 6.689 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.306 -4.632 7.638 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.144 -4.145 6.623 1.00 0.00 O ATOM 0 H ASP A 52 -1.223 -3.304 4.079 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.578 -5.689 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.264 -3.064 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.740 -2.921 4.943 1.00 0.00 H new ATOM 907 N VAL A 53 -3.407 -6.011 2.667 1.00 0.00 N ATOM 908 CA VAL A 53 -4.278 -6.300 1.474 1.00 0.00 C ATOM 909 C VAL A 53 -5.753 -5.986 1.767 1.00 0.00 C ATOM 910 O VAL A 53 -6.485 -5.595 0.884 1.00 0.00 O ATOM 911 CB VAL A 53 -4.045 -7.797 1.106 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.764 -8.649 2.347 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.270 -8.375 0.383 1.00 0.00 C ATOM 0 H VAL A 53 -2.633 -6.663 2.793 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.016 -5.663 0.629 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.175 -7.828 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.607 -9.686 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.871 -8.277 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.614 -8.592 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.086 -9.420 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.143 -8.304 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.452 -7.812 -0.532 1.00 0.00 H new ATOM 923 N GLU A 54 -6.189 -6.119 2.988 1.00 0.00 N ATOM 924 CA GLU A 54 -7.605 -5.787 3.286 1.00 0.00 C ATOM 925 C GLU A 54 -7.843 -4.309 2.986 1.00 0.00 C ATOM 926 O GLU A 54 -8.701 -3.954 2.202 1.00 0.00 O ATOM 927 CB GLU A 54 -7.793 -6.092 4.773 1.00 0.00 C ATOM 928 CG GLU A 54 -8.134 -7.574 4.949 1.00 0.00 C ATOM 929 CD GLU A 54 -6.915 -8.318 5.494 1.00 0.00 C ATOM 930 OE1 GLU A 54 -6.036 -8.633 4.707 1.00 0.00 O ATOM 931 OE2 GLU A 54 -6.879 -8.562 6.689 1.00 0.00 O ATOM 0 H GLU A 54 -5.633 -6.439 3.781 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.312 -6.358 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.884 -5.849 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.590 -5.473 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.976 -7.685 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.438 -8.004 3.995 1.00 0.00 H new ATOM 938 N ARG A 55 -7.073 -3.443 3.581 1.00 0.00 N ATOM 939 CA ARG A 55 -7.241 -1.994 3.300 1.00 0.00 C ATOM 940 C ARG A 55 -6.736 -1.705 1.890 1.00 0.00 C ATOM 941 O ARG A 55 -7.335 -0.964 1.144 1.00 0.00 O ATOM 942 CB ARG A 55 -6.386 -1.262 4.334 1.00 0.00 C ATOM 943 CG ARG A 55 -6.993 -1.447 5.724 1.00 0.00 C ATOM 944 CD ARG A 55 -8.351 -0.742 5.798 1.00 0.00 C ATOM 945 NE ARG A 55 -8.064 0.688 5.482 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.040 1.532 5.244 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.292 1.143 5.276 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.760 2.777 4.970 1.00 0.00 N ATOM 0 H ARG A 55 -6.337 -3.676 4.248 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.282 -1.676 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.367 -1.648 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.329 -0.201 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.112 -2.509 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.321 -1.042 6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.056 -1.169 5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.796 -0.846 6.788 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.098 1.013 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.519 0.171 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.039 1.812 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.789 3.087 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.513 3.440 4.784 1.00 0.00 H new ATOM 962 N ALA A 56 -5.653 -2.317 1.504 1.00 0.00 N ATOM 963 CA ALA A 56 -5.147 -2.099 0.135 1.00 0.00 C ATOM 964 C ALA A 56 -6.210 -2.607 -0.844 1.00 0.00 C ATOM 965 O ALA A 56 -6.239 -2.231 -2.001 1.00 0.00 O ATOM 966 CB ALA A 56 -3.836 -2.893 0.060 1.00 0.00 C ATOM 0 H ALA A 56 -5.103 -2.955 2.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.956 -1.056 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.398 -2.780 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.139 -2.517 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.038 -3.947 0.249 1.00 0.00 H new ATOM 972 N ARG A 57 -7.117 -3.437 -0.371 1.00 0.00 N ATOM 973 CA ARG A 57 -8.195 -3.933 -1.257 1.00 0.00 C ATOM 974 C ARG A 57 -9.384 -2.962 -1.210 1.00 0.00 C ATOM 975 O ARG A 57 -10.158 -2.864 -2.140 1.00 0.00 O ATOM 976 CB ARG A 57 -8.587 -5.301 -0.698 1.00 0.00 C ATOM 977 CG ARG A 57 -9.814 -5.833 -1.440 1.00 0.00 C ATOM 978 CD ARG A 57 -10.164 -7.226 -0.912 1.00 0.00 C ATOM 979 NE ARG A 57 -9.432 -8.171 -1.803 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.219 -9.413 -1.435 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.639 -9.851 -0.273 1.00 0.00 N ATOM 982 NH2 ARG A 57 -8.580 -10.223 -2.234 1.00 0.00 N ATOM 0 H ARG A 57 -7.147 -3.784 0.588 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.878 -4.009 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.756 -5.999 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.802 -5.220 0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.658 -5.157 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.614 -5.878 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.855 -7.343 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.239 -7.403 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.093 -7.849 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.138 -9.224 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.467 -10.819 -0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.249 -9.890 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.412 -11.189 -1.953 1.00 0.00 H new ATOM 996 N TYR A 58 -9.511 -2.222 -0.135 1.00 0.00 N ATOM 997 CA TYR A 58 -10.617 -1.231 -0.019 1.00 0.00 C ATOM 998 C TYR A 58 -10.442 -0.224 -1.131 1.00 0.00 C ATOM 999 O TYR A 58 -11.355 0.151 -1.841 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.376 -0.558 1.341 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.041 0.807 1.415 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.296 1.005 0.833 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.400 1.871 2.073 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.918 2.257 0.907 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.022 3.125 2.143 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.281 3.316 1.563 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.895 4.550 1.638 1.00 0.00 O ATOM 0 H TYR A 58 -8.888 -2.266 0.672 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.615 -1.663 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.762 -1.195 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.305 -0.451 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.788 0.189 0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.430 1.722 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.889 2.405 0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.529 3.944 2.645 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.318 5.173 2.128 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.241 0.216 -1.243 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.887 1.219 -2.257 1.00 0.00 C ATOM 1019 C TRP A 59 -9.075 0.637 -3.639 1.00 0.00 C ATOM 1020 O TRP A 59 -9.841 1.138 -4.435 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.441 1.548 -1.928 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.490 2.241 -0.616 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.969 1.802 0.552 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.177 3.471 -0.323 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.270 2.727 1.541 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.018 3.777 1.043 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.905 4.347 -1.129 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.574 4.928 1.598 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.470 5.505 -0.582 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.305 5.797 0.779 1.00 0.00 C ATOM 0 H TRP A 59 -8.464 -0.086 -0.656 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.506 2.116 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.834 0.644 -1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.998 2.185 -2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.413 0.887 0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.976 2.643 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.033 4.131 -2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.443 5.147 2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.035 6.176 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.742 6.692 1.196 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.432 -0.450 -3.919 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.634 -1.093 -5.245 1.00 0.00 C ATOM 1043 C LEU A 60 -10.139 -1.310 -5.458 1.00 0.00 C ATOM 1044 O LEU A 60 -10.615 -1.415 -6.571 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.896 -2.430 -5.166 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.391 -2.190 -5.292 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.637 -3.433 -4.815 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.040 -1.912 -6.757 1.00 0.00 C ATOM 0 H LEU A 60 -7.778 -0.923 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.261 -0.492 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.118 -2.925 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.237 -3.093 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.106 -1.334 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.564 -3.264 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.888 -3.633 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.922 -4.289 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.967 -1.741 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.324 -2.769 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.579 -1.028 -7.099 1.00 0.00 H new ATOM 1060 N SER A 61 -10.893 -1.360 -4.381 1.00 0.00 N ATOM 1061 CA SER A 61 -12.362 -1.549 -4.505 1.00 0.00 C ATOM 1062 C SER A 61 -13.048 -0.217 -4.836 1.00 0.00 C ATOM 1063 O SER A 61 -14.150 -0.195 -5.348 1.00 0.00 O ATOM 1064 CB SER A 61 -12.818 -2.057 -3.138 1.00 0.00 C ATOM 1065 OG SER A 61 -13.023 -3.463 -3.204 1.00 0.00 O ATOM 0 H SER A 61 -10.546 -1.277 -3.425 1.00 0.00 H new ATOM 0 HA SER A 61 -12.617 -2.244 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.069 -1.822 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.740 -1.557 -2.840 1.00 0.00 H new ATOM 0 HG SER A 61 -13.314 -3.793 -2.328 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.415 0.896 -4.555 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.052 2.201 -4.867 1.00 0.00 C ATOM 1073 C VAL A 62 -12.489 2.740 -6.181 1.00 0.00 C ATOM 1074 O VAL A 62 -12.358 3.932 -6.379 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.718 3.139 -3.688 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.997 2.442 -2.353 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.245 3.567 -3.731 1.00 0.00 C ATOM 0 H VAL A 62 -11.491 0.952 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.132 2.114 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.350 4.022 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.756 3.118 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.050 2.167 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.383 1.544 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.033 4.228 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.608 2.685 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.046 4.093 -4.665 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.155 1.859 -7.074 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.595 2.290 -8.384 1.00 0.00 C ATOM 1089 C GLY A 63 -10.179 2.832 -8.183 1.00 0.00 C ATOM 1090 O GLY A 63 -9.697 3.631 -8.961 1.00 0.00 O ATOM 0 H GLY A 63 -12.245 0.850 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.579 1.450 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.230 3.057 -8.827 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.503 2.409 -7.146 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.121 2.912 -6.914 1.00 0.00 C ATOM 1096 C ALA A 64 -7.182 2.357 -7.984 1.00 0.00 C ATOM 1097 O ALA A 64 -7.140 1.168 -8.232 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.726 2.400 -5.531 1.00 0.00 C ATOM 0 H ALA A 64 -9.847 1.742 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.063 3.999 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.716 2.734 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.421 2.789 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.759 1.311 -5.523 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.434 3.207 -8.629 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.507 2.725 -9.689 1.00 0.00 C ATOM 1106 C GLN A 65 -4.067 2.652 -9.158 1.00 0.00 C ATOM 1107 O GLN A 65 -3.468 3.668 -8.864 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.615 3.768 -10.801 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.718 3.061 -12.155 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.030 3.910 -13.224 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.977 5.119 -13.116 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.495 3.324 -14.262 1.00 0.00 N ATOM 0 H GLN A 65 -6.425 4.214 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.762 1.723 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.490 4.398 -10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.744 4.423 -10.786 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.252 2.077 -12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.764 2.904 -12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.539 2.309 -14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.033 3.881 -14.981 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.549 1.449 -9.056 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.162 1.263 -8.566 1.00 0.00 C ATOM 1123 C PRO A 66 -1.169 1.549 -9.699 1.00 0.00 C ATOM 1124 O PRO A 66 -1.322 1.067 -10.803 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.118 -0.206 -8.168 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.172 -0.877 -8.994 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.194 0.167 -9.373 1.00 0.00 C ATOM 0 HA PRO A 66 -1.898 1.928 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.135 -0.636 -8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.316 -0.330 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.732 -1.323 -9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.641 -1.685 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.452 0.104 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.119 0.039 -8.811 1.00 0.00 H new ATOM 1135 N THR A 67 -0.157 2.332 -9.439 1.00 0.00 N ATOM 1136 CA THR A 67 0.836 2.649 -10.510 1.00 0.00 C ATOM 1137 C THR A 67 1.554 1.374 -10.968 1.00 0.00 C ATOM 1138 O THR A 67 1.282 0.289 -10.488 1.00 0.00 O ATOM 1139 CB THR A 67 1.825 3.617 -9.855 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.828 3.975 -10.796 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.475 2.944 -8.646 1.00 0.00 C ATOM 0 H THR A 67 0.026 2.766 -8.534 1.00 0.00 H new ATOM 0 HA THR A 67 0.366 3.079 -11.394 1.00 0.00 H new ATOM 0 HB THR A 67 1.296 4.512 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.461 4.596 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.179 3.634 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.705 2.669 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.005 2.048 -8.970 1.00 0.00 H new ATOM 1149 N ASP A 68 2.478 1.496 -11.888 1.00 0.00 N ATOM 1150 CA ASP A 68 3.221 0.291 -12.375 1.00 0.00 C ATOM 1151 C ASP A 68 4.323 -0.092 -11.378 1.00 0.00 C ATOM 1152 O ASP A 68 5.475 -0.248 -11.735 1.00 0.00 O ATOM 1153 CB ASP A 68 3.833 0.717 -13.710 1.00 0.00 C ATOM 1154 CG ASP A 68 4.549 -0.474 -14.347 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.938 -1.527 -14.440 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.696 -0.313 -14.730 1.00 0.00 O ATOM 0 H ASP A 68 2.751 2.377 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 68 2.572 -0.579 -12.481 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.054 1.086 -14.378 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.535 1.536 -13.555 1.00 0.00 H new ATOM 1161 N THR A 69 3.969 -0.243 -10.133 1.00 0.00 N ATOM 1162 CA THR A 69 4.959 -0.614 -9.084 1.00 0.00 C ATOM 1163 C THR A 69 4.193 -1.047 -7.841 1.00 0.00 C ATOM 1164 O THR A 69 4.303 -2.166 -7.380 1.00 0.00 O ATOM 1165 CB THR A 69 5.736 0.657 -8.785 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.083 1.317 -9.994 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.005 0.321 -7.997 1.00 0.00 C ATOM 0 H THR A 69 3.015 -0.122 -9.791 1.00 0.00 H new ATOM 0 HA THR A 69 5.621 -1.422 -9.395 1.00 0.00 H new ATOM 0 HB THR A 69 5.108 1.318 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.434 0.663 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.556 1.238 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.733 -0.162 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.630 -0.352 -8.584 1.00 0.00 H new ATOM 1175 N ALA A 70 3.384 -0.164 -7.318 1.00 0.00 N ATOM 1176 CA ALA A 70 2.572 -0.513 -6.133 1.00 0.00 C ATOM 1177 C ALA A 70 1.568 -1.575 -6.548 1.00 0.00 C ATOM 1178 O ALA A 70 1.100 -2.355 -5.743 1.00 0.00 O ATOM 1179 CB ALA A 70 1.865 0.778 -5.728 1.00 0.00 C ATOM 0 H ALA A 70 3.255 0.786 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 70 3.161 -0.905 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.243 0.593 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.607 1.540 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.239 1.124 -6.551 1.00 0.00 H new ATOM 1185 N ARG A 71 1.259 -1.635 -7.818 1.00 0.00 N ATOM 1186 CA ARG A 71 0.326 -2.667 -8.290 1.00 0.00 C ATOM 1187 C ARG A 71 0.998 -4.006 -8.061 1.00 0.00 C ATOM 1188 O ARG A 71 0.390 -4.961 -7.617 1.00 0.00 O ATOM 1189 CB ARG A 71 0.144 -2.397 -9.785 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.662 -3.534 -10.417 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.228 -3.072 -11.760 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.133 -3.311 -12.745 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.309 -3.054 -14.020 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.451 -2.589 -14.461 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.667 -3.268 -14.860 1.00 0.00 N ATOM 0 H ARG A 71 1.619 -1.009 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.639 -2.662 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.370 -1.447 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.116 -2.313 -10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.027 -4.409 -10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.472 -3.833 -9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.125 -3.632 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.508 -2.019 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 71 0.763 -3.678 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.219 -2.422 -13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.573 -2.394 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.558 -3.632 -14.524 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.538 -3.071 -15.852 1.00 0.00 H new ATOM 1209 N ARG A 72 2.272 -4.068 -8.339 1.00 0.00 N ATOM 1210 CA ARG A 72 3.005 -5.334 -8.126 1.00 0.00 C ATOM 1211 C ARG A 72 3.002 -5.674 -6.638 1.00 0.00 C ATOM 1212 O ARG A 72 2.882 -6.818 -6.247 1.00 0.00 O ATOM 1213 CB ARG A 72 4.427 -5.071 -8.622 1.00 0.00 C ATOM 1214 CG ARG A 72 4.689 -5.893 -9.884 1.00 0.00 C ATOM 1215 CD ARG A 72 5.808 -5.239 -10.699 1.00 0.00 C ATOM 1216 NE ARG A 72 7.057 -5.920 -10.250 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.231 -5.369 -10.446 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.343 -4.212 -11.050 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.307 -5.986 -10.036 1.00 0.00 N ATOM 0 H ARG A 72 2.830 -3.296 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 72 2.554 -6.174 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.559 -4.010 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.148 -5.334 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.969 -6.912 -9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.780 -5.959 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.648 -5.373 -11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.855 -4.166 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 72 6.997 -6.826 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.509 -3.724 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.264 -3.799 -11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.230 -6.889 -9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.224 -5.565 -10.184 1.00 0.00 H new ATOM 1233 N LEU A 73 3.121 -4.678 -5.803 1.00 0.00 N ATOM 1234 CA LEU A 73 3.110 -4.925 -4.345 1.00 0.00 C ATOM 1235 C LEU A 73 1.725 -5.404 -3.940 1.00 0.00 C ATOM 1236 O LEU A 73 1.579 -6.266 -3.098 1.00 0.00 O ATOM 1237 CB LEU A 73 3.438 -3.576 -3.708 1.00 0.00 C ATOM 1238 CG LEU A 73 4.784 -3.088 -4.241 1.00 0.00 C ATOM 1239 CD1 LEU A 73 4.980 -1.616 -3.877 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.905 -3.920 -3.622 1.00 0.00 C ATOM 0 H LEU A 73 3.226 -3.701 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 73 3.824 -5.687 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.657 -2.851 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.475 -3.671 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 73 4.805 -3.196 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.941 -1.272 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.180 -1.022 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.959 -1.503 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.867 -3.574 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.882 -3.812 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.768 -4.969 -3.885 1.00 0.00 H new ATOM 1252 N LEU A 74 0.705 -4.886 -4.567 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.658 -5.360 -4.245 1.00 0.00 C ATOM 1254 C LEU A 74 -0.741 -6.824 -4.667 1.00 0.00 C ATOM 1255 O LEU A 74 -1.478 -7.611 -4.108 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.596 -4.486 -5.072 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.604 -3.071 -4.491 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.197 -2.105 -5.515 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.454 -3.048 -3.220 1.00 0.00 C ATOM 0 H LEU A 74 0.761 -4.161 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.916 -5.293 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.270 -4.464 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.603 -4.902 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.584 -2.769 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.203 -1.096 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.594 -2.122 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.217 -2.407 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.461 -2.040 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.474 -3.349 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.034 -3.739 -2.489 1.00 0.00 H new ATOM 1271 N ARG A 75 0.056 -7.193 -5.638 1.00 0.00 N ATOM 1272 CA ARG A 75 0.086 -8.600 -6.094 1.00 0.00 C ATOM 1273 C ARG A 75 0.951 -9.395 -5.126 1.00 0.00 C ATOM 1274 O ARG A 75 0.769 -10.582 -4.933 1.00 0.00 O ATOM 1275 CB ARG A 75 0.735 -8.556 -7.480 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.188 -9.219 -8.499 1.00 0.00 C ATOM 1277 CD ARG A 75 0.644 -9.914 -9.580 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.073 -9.619 -10.854 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.080 -10.384 -11.910 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.887 -11.415 -11.886 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.581 -10.110 -13.002 1.00 0.00 N ATOM 0 H ARG A 75 0.690 -6.567 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.900 -9.064 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.930 -7.523 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.697 -9.068 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.832 -9.944 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.839 -8.472 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.665 -9.532 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.709 -10.987 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.692 -8.810 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.409 -11.635 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.994 -11.999 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.210 -9.307 -13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.469 -10.699 -13.827 1.00 0.00 H new ATOM 1295 N GLN A 76 1.896 -8.737 -4.512 1.00 0.00 N ATOM 1296 CA GLN A 76 2.784 -9.421 -3.556 1.00 0.00 C ATOM 1297 C GLN A 76 2.078 -9.595 -2.228 1.00 0.00 C ATOM 1298 O GLN A 76 2.226 -10.589 -1.547 1.00 0.00 O ATOM 1299 CB GLN A 76 3.978 -8.488 -3.427 1.00 0.00 C ATOM 1300 CG GLN A 76 5.167 -9.248 -2.842 1.00 0.00 C ATOM 1301 CD GLN A 76 6.268 -9.355 -3.896 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.940 -9.485 -5.153 1.00 0.00 O flip ATOM 1303 NE2 GLN A 76 7.439 -9.324 -3.574 1.00 0.00 N flip ATOM 0 H GLN A 76 2.085 -7.743 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 76 3.078 -10.419 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.240 -8.080 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.724 -7.643 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.543 -8.733 -1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.856 -10.243 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.695 -9.222 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.166 -9.400 -4.286 1.00 0.00 H new ATOM 1312 N ALA A 77 1.295 -8.636 -1.872 1.00 0.00 N ATOM 1313 CA ALA A 77 0.546 -8.726 -0.599 1.00 0.00 C ATOM 1314 C ALA A 77 -0.620 -9.716 -0.743 1.00 0.00 C ATOM 1315 O ALA A 77 -1.340 -9.979 0.200 1.00 0.00 O ATOM 1316 CB ALA A 77 0.026 -7.315 -0.338 1.00 0.00 C ATOM 0 H ALA A 77 1.137 -7.784 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 77 1.168 -9.083 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.542 -7.303 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.867 -6.626 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.619 -7.007 -1.161 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.815 -10.263 -1.918 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.934 -11.226 -2.118 1.00 0.00 C ATOM 1324 C GLY A 78 -3.257 -10.463 -2.134 1.00 0.00 C ATOM 1325 O GLY A 78 -4.202 -10.826 -1.462 1.00 0.00 O ATOM 0 H GLY A 78 -0.246 -10.082 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.801 -11.767 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.938 -11.968 -1.320 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.332 -9.397 -2.885 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.588 -8.606 -2.923 1.00 0.00 C ATOM 1331 C VAL A 79 -5.514 -9.080 -4.042 1.00 0.00 C ATOM 1332 O VAL A 79 -6.634 -9.488 -3.803 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.150 -7.172 -3.169 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.377 -6.261 -3.211 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.221 -6.727 -2.041 1.00 0.00 C ATOM 0 H VAL A 79 -2.577 -9.043 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.151 -8.714 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.623 -7.110 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.061 -5.233 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.040 -6.580 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.906 -6.320 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.905 -5.698 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.749 -6.789 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.346 -7.376 -2.013 1.00 0.00 H new