USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 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 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.0287 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -59:sc= 0.937 USER MOD Single : A 50 MET CE :methyl -129:sc= -0.234 (180deg=-1.12) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-0.39) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0.0203 (180deg=-0.143) USER MOD Single : A 78 THR OG1 : rot 93:sc= 1.32 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 10.988 -2.596 -9.909 1.00 1.00 N ATOM 2 CA GLY A 39 9.801 -2.678 -9.079 1.00 1.00 C ATOM 3 C GLY A 39 8.627 -3.303 -9.807 1.00 1.00 C ATOM 4 O GLY A 39 8.725 -4.420 -10.313 1.00 1.00 O ATOM 0 HA2 GLY A 39 10.025 -3.263 -8.187 1.00 1.00 H new ATOM 0 HA3 GLY A 39 9.526 -1.678 -8.744 1.00 1.00 H new ATOM 8 N SER A 40 7.512 -2.580 -9.859 1.00 1.00 N ATOM 9 CA SER A 40 6.313 -3.072 -10.526 1.00 1.00 C ATOM 10 C SER A 40 5.532 -1.923 -11.157 1.00 1.00 C ATOM 11 O SER A 40 5.371 -0.862 -10.553 1.00 1.00 O ATOM 12 CB SER A 40 5.423 -3.823 -9.533 1.00 1.00 C ATOM 13 OG SER A 40 5.110 -3.011 -8.414 1.00 1.00 O ATOM 0 H SER A 40 7.415 -1.652 -9.447 1.00 1.00 H new ATOM 0 HA SER A 40 6.622 -3.756 -11.316 1.00 1.00 H new ATOM 0 HB2 SER A 40 4.504 -4.136 -10.028 1.00 1.00 H new ATOM 0 HB3 SER A 40 5.929 -4.729 -9.199 1.00 1.00 H new ATOM 0 HG SER A 40 4.539 -3.513 -7.795 1.00 1.00 H new ATOM 19 N CYS A 41 5.050 -2.143 -12.375 1.00 1.00 N ATOM 20 CA CYS A 41 4.288 -1.126 -13.091 1.00 1.00 C ATOM 21 C CYS A 41 2.804 -1.475 -13.115 1.00 1.00 C ATOM 22 O CYS A 41 2.397 -2.539 -12.649 1.00 1.00 O ATOM 23 CB CYS A 41 4.813 -0.978 -14.520 1.00 1.00 C ATOM 24 SG CYS A 41 4.777 -2.509 -15.482 1.00 1.00 S ATOM 0 H CYS A 41 5.173 -3.016 -12.887 1.00 1.00 H new ATOM 0 HA CYS A 41 4.411 -0.178 -12.566 1.00 1.00 H new ATOM 0 HB2 CYS A 41 4.221 -0.223 -15.037 1.00 1.00 H new ATOM 0 HB3 CYS A 41 5.838 -0.609 -14.483 1.00 1.00 H new ATOM 0 HG CYS A 41 5.238 -2.282 -16.676 1.00 1.00 H new ATOM 30 N LYS A 42 1.998 -0.570 -13.660 1.00 1.00 N ATOM 31 CA LYS A 42 0.557 -0.781 -13.746 1.00 1.00 C ATOM 32 C LYS A 42 -0.062 0.122 -14.807 1.00 1.00 C ATOM 33 O LYS A 42 -0.177 1.333 -14.615 1.00 1.00 O ATOM 34 CB LYS A 42 -0.099 -0.516 -12.389 1.00 1.00 C ATOM 35 CG LYS A 42 -1.599 -0.759 -12.382 1.00 1.00 C ATOM 36 CD LYS A 42 -1.930 -2.191 -11.995 1.00 1.00 C ATOM 37 CE LYS A 42 -2.093 -2.339 -10.490 1.00 1.00 C ATOM 38 NZ LYS A 42 -2.698 -3.649 -10.124 1.00 1.00 N ATOM 0 H LYS A 42 2.318 0.317 -14.049 1.00 1.00 H new ATOM 0 HA LYS A 42 0.383 -1.819 -14.031 1.00 1.00 H new ATOM 0 HB2 LYS A 42 0.368 -1.154 -11.638 1.00 1.00 H new ATOM 0 HB3 LYS A 42 0.095 0.516 -12.096 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -2.076 -0.073 -11.683 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -2.008 -0.544 -13.369 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -2.849 -2.501 -12.494 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -1.139 -2.855 -12.343 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -1.120 -2.241 -10.008 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -2.719 -1.531 -10.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -2.792 -3.711 -9.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -3.637 -3.732 -10.563 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -2.088 -4.420 -10.463 1.00 1.00 H new ATOM 52 N ILE A 43 -0.461 -0.475 -15.926 1.00 1.00 N ATOM 53 CA ILE A 43 -1.071 0.276 -17.016 1.00 1.00 C ATOM 54 C ILE A 43 -2.355 0.962 -16.560 1.00 1.00 C ATOM 55 O ILE A 43 -3.236 0.349 -15.957 1.00 1.00 O ATOM 56 CB ILE A 43 -1.388 -0.633 -18.218 1.00 1.00 C ATOM 57 CG1 ILE A 43 -0.097 -1.039 -18.931 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.332 0.071 -19.180 1.00 1.00 C ATOM 59 CD1 ILE A 43 0.636 -2.176 -18.253 1.00 1.00 C ATOM 0 H ILE A 43 -0.373 -1.476 -16.101 1.00 1.00 H new ATOM 0 HA ILE A 43 -0.347 1.031 -17.322 1.00 1.00 H new ATOM 0 HB ILE A 43 -1.879 -1.535 -17.854 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -0.333 -1.329 -19.955 1.00 1.00 H new ATOM 0 HG13 ILE A 43 0.564 -0.174 -18.989 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.546 -0.584 -20.024 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.261 0.315 -18.665 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.866 0.988 -19.542 1.00 1.00 H new ATOM 0 HD11 ILE A 43 1.541 -2.411 -18.813 1.00 1.00 H new ATOM 0 HD12 ILE A 43 0.903 -1.883 -17.238 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -0.008 -3.055 -18.219 1.00 1.00 H new ATOM 71 N PRO A 44 -2.466 2.266 -16.855 1.00 1.00 N ATOM 72 CA PRO A 44 -3.640 3.063 -16.488 1.00 1.00 C ATOM 73 C PRO A 44 -4.878 2.676 -17.289 1.00 1.00 C ATOM 74 O PRO A 44 -4.882 1.667 -17.994 1.00 1.00 O ATOM 75 CB PRO A 44 -3.214 4.496 -16.821 1.00 1.00 C ATOM 76 CG PRO A 44 -2.175 4.345 -17.878 1.00 1.00 C ATOM 77 CD PRO A 44 -1.455 3.061 -17.571 1.00 1.00 C ATOM 0 HA PRO A 44 -3.921 2.918 -15.445 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.058 5.088 -17.177 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.815 5.005 -15.943 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.628 4.311 -18.869 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.486 5.190 -17.872 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.120 2.561 -18.480 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -0.571 3.233 -16.957 1.00 1.00 H new ATOM 85 N SER A 45 -5.927 3.484 -17.176 1.00 1.00 N ATOM 86 CA SER A 45 -7.173 3.223 -17.887 1.00 1.00 C ATOM 87 C SER A 45 -7.172 3.905 -19.252 1.00 1.00 C ATOM 88 O SER A 45 -7.719 3.378 -20.222 1.00 1.00 O ATOM 89 CB SER A 45 -8.367 3.709 -17.063 1.00 1.00 C ATOM 90 OG SER A 45 -8.311 3.206 -15.740 1.00 1.00 O ATOM 0 H SER A 45 -5.939 4.325 -16.599 1.00 1.00 H new ATOM 0 HA SER A 45 -7.258 2.147 -18.037 1.00 1.00 H new ATOM 0 HB2 SER A 45 -8.378 4.799 -17.041 1.00 1.00 H new ATOM 0 HB3 SER A 45 -9.295 3.390 -17.538 1.00 1.00 H new ATOM 0 HG SER A 45 -9.084 3.532 -15.233 1.00 1.00 H new ATOM 96 N ILE A 46 -6.554 5.079 -19.319 1.00 1.00 N ATOM 97 CA ILE A 46 -6.482 5.834 -20.564 1.00 1.00 C ATOM 98 C ILE A 46 -5.550 5.158 -21.564 1.00 1.00 C ATOM 99 O ILE A 46 -5.597 5.439 -22.761 1.00 1.00 O ATOM 100 CB ILE A 46 -5.998 7.276 -20.321 1.00 1.00 C ATOM 101 CG1 ILE A 46 -6.945 8.001 -19.364 1.00 1.00 C ATOM 102 CG2 ILE A 46 -5.891 8.028 -21.640 1.00 1.00 C ATOM 103 CD1 ILE A 46 -6.351 9.254 -18.760 1.00 1.00 C ATOM 0 H ILE A 46 -6.096 5.528 -18.526 1.00 1.00 H new ATOM 0 HA ILE A 46 -7.491 5.863 -20.974 1.00 1.00 H new ATOM 0 HB ILE A 46 -5.009 7.239 -19.864 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -7.858 8.263 -19.898 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -7.229 7.320 -18.562 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -5.548 9.045 -21.452 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -5.180 7.520 -22.292 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -6.868 8.058 -22.122 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -7.078 9.716 -18.092 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -5.454 8.997 -18.197 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -6.093 9.954 -19.555 1.00 1.00 H new ATOM 115 N ALA A 47 -4.704 4.263 -21.064 1.00 1.00 N ATOM 116 CA ALA A 47 -3.764 3.543 -21.914 1.00 1.00 C ATOM 117 C ALA A 47 -4.369 2.237 -22.417 1.00 1.00 C ATOM 118 O ALA A 47 -3.777 1.545 -23.247 1.00 1.00 O ATOM 119 CB ALA A 47 -2.471 3.271 -21.158 1.00 1.00 C ATOM 0 H ALA A 47 -4.651 4.019 -20.075 1.00 1.00 H new ATOM 0 HA ALA A 47 -3.542 4.168 -22.779 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -1.778 2.733 -21.804 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -2.022 4.216 -20.852 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -2.686 2.669 -20.275 1.00 1.00 H new ATOM 125 N THR A 48 -5.552 1.903 -21.911 1.00 1.00 N ATOM 126 CA THR A 48 -6.236 0.680 -22.309 1.00 1.00 C ATOM 127 C THR A 48 -6.565 0.693 -23.798 1.00 1.00 C ATOM 128 O THR A 48 -6.174 -0.208 -24.538 1.00 1.00 O ATOM 129 CB THR A 48 -7.538 0.479 -21.510 1.00 1.00 C ATOM 130 OG1 THR A 48 -8.452 1.546 -21.785 1.00 1.00 O ATOM 131 CG2 THR A 48 -7.252 0.421 -20.017 1.00 1.00 C ATOM 0 H THR A 48 -6.056 2.463 -21.224 1.00 1.00 H new ATOM 0 HA THR A 48 -5.556 -0.145 -22.097 1.00 1.00 H new ATOM 0 HB THR A 48 -7.984 -0.467 -21.816 1.00 1.00 H new ATOM 0 HG1 THR A 48 -8.038 2.401 -21.546 1.00 1.00 H new ATOM 0 HG21 THR A 48 -8.186 0.279 -19.473 1.00 1.00 H new ATOM 0 HG22 THR A 48 -6.579 -0.411 -19.807 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.786 1.354 -19.699 1.00 1.00 H new ATOM 139 N GLY A 49 -7.285 1.723 -24.231 1.00 1.00 N ATOM 140 CA GLY A 49 -7.654 1.834 -25.630 1.00 1.00 C ATOM 141 C GLY A 49 -6.472 1.642 -26.559 1.00 1.00 C ATOM 142 O GLY A 49 -6.579 0.962 -27.579 1.00 1.00 O ATOM 0 H GLY A 49 -7.619 2.483 -23.638 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -8.418 1.092 -25.861 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -8.097 2.814 -25.809 1.00 1.00 H new ATOM 146 N MET A 50 -5.341 2.244 -26.206 1.00 1.00 N ATOM 147 CA MET A 50 -4.133 2.136 -27.016 1.00 1.00 C ATOM 148 C MET A 50 -3.675 0.685 -27.118 1.00 1.00 C ATOM 149 O MET A 50 -3.352 0.200 -28.203 1.00 1.00 O ATOM 150 CB MET A 50 -3.015 2.995 -26.421 1.00 1.00 C ATOM 151 CG MET A 50 -3.080 4.454 -26.844 1.00 1.00 C ATOM 152 SD MET A 50 -2.498 4.715 -28.531 1.00 1.00 S ATOM 153 CE MET A 50 -4.054 4.887 -29.402 1.00 1.00 C ATOM 0 H MET A 50 -5.236 2.811 -25.365 1.00 1.00 H new ATOM 0 HA MET A 50 -4.364 2.497 -28.018 1.00 1.00 H new ATOM 0 HB2 MET A 50 -3.063 2.938 -25.334 1.00 1.00 H new ATOM 0 HB3 MET A 50 -2.052 2.581 -26.719 1.00 1.00 H new ATOM 0 HG2 MET A 50 -4.108 4.807 -26.760 1.00 1.00 H new ATOM 0 HG3 MET A 50 -2.480 5.054 -26.160 1.00 1.00 H new ATOM 0 HE1 MET A 50 -4.066 4.217 -30.262 1.00 1.00 H new ATOM 0 HE2 MET A 50 -4.876 4.633 -28.733 1.00 1.00 H new ATOM 0 HE3 MET A 50 -4.169 5.916 -29.742 1.00 1.00 H new ATOM 163 N VAL A 51 -3.649 -0.005 -25.982 1.00 1.00 N ATOM 164 CA VAL A 51 -3.230 -1.401 -25.944 1.00 1.00 C ATOM 165 C VAL A 51 -4.080 -2.254 -26.879 1.00 1.00 C ATOM 166 O VAL A 51 -3.561 -2.907 -27.784 1.00 1.00 O ATOM 167 CB VAL A 51 -3.322 -1.976 -24.518 1.00 1.00 C ATOM 168 CG1 VAL A 51 -2.742 -3.381 -24.470 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.611 -1.063 -23.530 1.00 1.00 C ATOM 0 H VAL A 51 -3.913 0.380 -25.075 1.00 1.00 H new ATOM 0 HA VAL A 51 -2.191 -1.429 -26.273 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.373 -2.033 -24.235 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.816 -3.771 -23.455 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -3.299 -4.028 -25.148 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -1.695 -3.353 -24.773 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.685 -1.484 -22.527 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.561 -0.973 -23.809 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -3.076 -0.078 -23.545 1.00 1.00 H new ATOM 179 N GLY A 52 -5.390 -2.244 -26.655 1.00 1.00 N ATOM 180 CA GLY A 52 -6.291 -3.022 -27.485 1.00 1.00 C ATOM 181 C GLY A 52 -6.056 -2.796 -28.965 1.00 1.00 C ATOM 182 O GLY A 52 -6.053 -3.742 -29.752 1.00 1.00 O ATOM 0 H GLY A 52 -5.844 -1.711 -25.913 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -6.166 -4.081 -27.258 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -7.321 -2.763 -27.240 1.00 1.00 H new ATOM 186 N ALA A 53 -5.860 -1.538 -29.346 1.00 1.00 N ATOM 187 CA ALA A 53 -5.624 -1.190 -30.742 1.00 1.00 C ATOM 188 C ALA A 53 -4.232 -1.624 -31.188 1.00 1.00 C ATOM 189 O ALA A 53 -4.030 -2.012 -32.339 1.00 1.00 O ATOM 190 CB ALA A 53 -5.805 0.306 -30.951 1.00 1.00 C ATOM 0 H ALA A 53 -5.860 -0.743 -28.707 1.00 1.00 H new ATOM 0 HA ALA A 53 -6.354 -1.722 -31.352 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -5.626 0.551 -31.998 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -6.822 0.591 -30.681 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -5.097 0.849 -30.325 1.00 1.00 H new ATOM 196 N LEU A 54 -3.274 -1.555 -30.270 1.00 1.00 N ATOM 197 CA LEU A 54 -1.899 -1.940 -30.569 1.00 1.00 C ATOM 198 C LEU A 54 -1.827 -3.394 -31.024 1.00 1.00 C ATOM 199 O LEU A 54 -1.204 -3.707 -32.040 1.00 1.00 O ATOM 200 CB LEU A 54 -1.012 -1.734 -29.340 1.00 1.00 C ATOM 201 CG LEU A 54 -0.352 -0.361 -29.211 1.00 1.00 C ATOM 202 CD1 LEU A 54 0.205 -0.166 -27.809 1.00 1.00 C ATOM 203 CD2 LEU A 54 0.746 -0.197 -30.251 1.00 1.00 C ATOM 0 H LEU A 54 -3.424 -1.236 -29.313 1.00 1.00 H new ATOM 0 HA LEU A 54 -1.539 -1.307 -31.380 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -1.614 -1.911 -28.449 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -0.229 -2.492 -29.351 1.00 1.00 H new ATOM 0 HG LEU A 54 -1.109 0.403 -29.388 1.00 1.00 H new ATOM 0 HD11 LEU A 54 0.671 0.817 -27.736 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -0.604 -0.239 -27.083 1.00 1.00 H new ATOM 0 HD13 LEU A 54 0.948 -0.936 -27.602 1.00 1.00 H new ATOM 0 HD21 LEU A 54 1.204 0.786 -30.144 1.00 1.00 H new ATOM 0 HD22 LEU A 54 1.503 -0.968 -30.106 1.00 1.00 H new ATOM 0 HD23 LEU A 54 0.319 -0.291 -31.249 1.00 1.00 H new ATOM 215 N LEU A 55 -2.469 -4.277 -30.269 1.00 1.00 N ATOM 216 CA LEU A 55 -2.478 -5.699 -30.594 1.00 1.00 C ATOM 217 C LEU A 55 -3.278 -5.962 -31.867 1.00 1.00 C ATOM 218 O LEU A 55 -2.815 -6.659 -32.770 1.00 1.00 O ATOM 219 CB LEU A 55 -3.067 -6.504 -29.434 1.00 1.00 C ATOM 220 CG LEU A 55 -2.686 -6.034 -28.030 1.00 1.00 C ATOM 221 CD1 LEU A 55 -3.073 -7.078 -26.994 1.00 1.00 C ATOM 222 CD2 LEU A 55 -1.196 -5.732 -27.954 1.00 1.00 C ATOM 0 H LEU A 55 -2.991 -4.034 -29.427 1.00 1.00 H new ATOM 0 HA LEU A 55 -1.448 -6.014 -30.762 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -4.153 -6.485 -29.520 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.757 -7.543 -29.544 1.00 1.00 H new ATOM 0 HG LEU A 55 -3.234 -5.117 -27.814 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -2.794 -6.726 -26.001 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -4.149 -7.245 -27.031 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -2.553 -8.012 -27.207 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.943 -5.399 -26.947 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -0.630 -6.633 -28.191 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.947 -4.948 -28.669 1.00 1.00 H new ATOM 234 N LEU A 56 -4.478 -5.397 -31.932 1.00 1.00 N ATOM 235 CA LEU A 56 -5.341 -5.567 -33.096 1.00 1.00 C ATOM 236 C LEU A 56 -4.589 -5.246 -34.383 1.00 1.00 C ATOM 237 O LEU A 56 -4.466 -6.091 -35.271 1.00 1.00 O ATOM 238 CB LEU A 56 -6.575 -4.670 -32.976 1.00 1.00 C ATOM 239 CG LEU A 56 -7.852 -5.195 -33.633 1.00 1.00 C ATOM 240 CD1 LEU A 56 -8.380 -6.407 -32.882 1.00 1.00 C ATOM 241 CD2 LEU A 56 -8.908 -4.101 -33.694 1.00 1.00 C ATOM 0 H LEU A 56 -4.876 -4.817 -31.193 1.00 1.00 H new ATOM 0 HA LEU A 56 -5.659 -6.609 -33.133 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.777 -4.503 -31.918 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -6.338 -3.700 -33.412 1.00 1.00 H new ATOM 0 HG LEU A 56 -7.614 -5.501 -34.652 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -9.289 -6.766 -33.364 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -7.628 -7.196 -32.891 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -8.602 -6.128 -31.852 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -9.810 -4.492 -34.165 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -9.142 -3.765 -32.684 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -8.529 -3.262 -34.277 1.00 1.00 H new ATOM 253 N LEU A 57 -4.085 -4.020 -34.478 1.00 1.00 N ATOM 254 CA LEU A 57 -3.342 -3.588 -35.657 1.00 1.00 C ATOM 255 C LEU A 57 -2.178 -4.531 -35.942 1.00 1.00 C ATOM 256 O LEU A 57 -1.943 -4.915 -37.089 1.00 1.00 O ATOM 257 CB LEU A 57 -2.823 -2.162 -35.461 1.00 1.00 C ATOM 258 CG LEU A 57 -3.886 -1.069 -35.353 1.00 1.00 C ATOM 259 CD1 LEU A 57 -3.235 0.302 -35.255 1.00 1.00 C ATOM 260 CD2 LEU A 57 -4.834 -1.128 -36.543 1.00 1.00 C ATOM 0 H LEU A 57 -4.177 -3.308 -33.753 1.00 1.00 H new ATOM 0 HA LEU A 57 -4.019 -3.608 -36.511 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.215 -2.139 -34.557 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.164 -1.919 -36.295 1.00 1.00 H new ATOM 0 HG LEU A 57 -4.464 -1.239 -34.444 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.008 1.067 -35.179 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.598 0.340 -34.371 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.632 0.483 -36.145 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.584 -0.343 -36.450 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.270 -0.984 -37.465 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.327 -2.100 -36.568 1.00 1.00 H new ATOM 272 N LEU A 58 -1.453 -4.902 -34.893 1.00 1.00 N ATOM 273 CA LEU A 58 -0.313 -5.802 -35.030 1.00 1.00 C ATOM 274 C LEU A 58 -0.720 -7.093 -35.733 1.00 1.00 C ATOM 275 O LEU A 58 -0.083 -7.513 -36.699 1.00 1.00 O ATOM 276 CB LEU A 58 0.279 -6.121 -33.656 1.00 1.00 C ATOM 277 CG LEU A 58 1.379 -5.180 -33.164 1.00 1.00 C ATOM 278 CD1 LEU A 58 1.633 -5.386 -31.679 1.00 1.00 C ATOM 279 CD2 LEU A 58 2.659 -5.394 -33.960 1.00 1.00 C ATOM 0 H LEU A 58 -1.634 -4.594 -33.938 1.00 1.00 H new ATOM 0 HA LEU A 58 0.442 -5.302 -35.637 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -0.529 -6.117 -32.925 1.00 1.00 H new ATOM 0 HB3 LEU A 58 0.680 -7.134 -33.682 1.00 1.00 H new ATOM 0 HG LEU A 58 1.047 -4.153 -33.316 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.419 -4.708 -31.347 1.00 1.00 H new ATOM 0 HD12 LEU A 58 0.719 -5.182 -31.122 1.00 1.00 H new ATOM 0 HD13 LEU A 58 1.944 -6.416 -31.502 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.431 -4.716 -33.596 1.00 1.00 H new ATOM 0 HD22 LEU A 58 2.994 -6.424 -33.840 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.469 -5.195 -35.015 1.00 1.00 H new ATOM 291 N VAL A 59 -1.786 -7.716 -35.244 1.00 1.00 N ATOM 292 CA VAL A 59 -2.282 -8.957 -35.828 1.00 1.00 C ATOM 293 C VAL A 59 -2.813 -8.726 -37.239 1.00 1.00 C ATOM 294 O VAL A 59 -2.488 -9.468 -38.165 1.00 1.00 O ATOM 295 CB VAL A 59 -3.399 -9.576 -34.967 1.00 1.00 C ATOM 296 CG1 VAL A 59 -3.762 -10.962 -35.479 1.00 1.00 C ATOM 297 CG2 VAL A 59 -2.975 -9.632 -33.507 1.00 1.00 C ATOM 0 H VAL A 59 -2.324 -7.382 -34.444 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.439 -9.647 -35.867 1.00 1.00 H new ATOM 0 HB VAL A 59 -4.284 -8.945 -35.041 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -4.553 -11.384 -34.858 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -4.109 -10.890 -36.510 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -2.884 -11.607 -35.436 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -3.776 -10.072 -32.912 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -2.076 -10.241 -33.412 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -2.769 -8.623 -33.149 1.00 1.00 H new ATOM 307 N VAL A 60 -3.632 -7.690 -37.395 1.00 1.00 N ATOM 308 CA VAL A 60 -4.207 -7.359 -38.693 1.00 1.00 C ATOM 309 C VAL A 60 -3.120 -7.194 -39.750 1.00 1.00 C ATOM 310 O VAL A 60 -3.127 -7.878 -40.773 1.00 1.00 O ATOM 311 CB VAL A 60 -5.041 -6.066 -38.624 1.00 1.00 C ATOM 312 CG1 VAL A 60 -5.594 -5.714 -39.997 1.00 1.00 C ATOM 313 CG2 VAL A 60 -6.165 -6.211 -37.609 1.00 1.00 C ATOM 0 H VAL A 60 -3.912 -7.066 -36.638 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.858 -8.188 -38.972 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.392 -5.252 -38.300 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -6.181 -4.798 -39.929 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -4.769 -5.566 -40.694 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -6.229 -6.526 -40.353 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.744 -5.288 -37.573 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -6.815 -7.036 -37.901 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.743 -6.413 -36.625 1.00 1.00 H new ATOM 323 N ALA A 61 -2.187 -6.283 -39.494 1.00 1.00 N ATOM 324 CA ALA A 61 -1.092 -6.030 -40.422 1.00 1.00 C ATOM 325 C ALA A 61 -0.231 -7.274 -40.608 1.00 1.00 C ATOM 326 O ALA A 61 0.302 -7.517 -41.691 1.00 1.00 O ATOM 327 CB ALA A 61 -0.243 -4.866 -39.931 1.00 1.00 C ATOM 0 H ALA A 61 -2.168 -5.708 -38.652 1.00 1.00 H new ATOM 0 HA ALA A 61 -1.521 -5.770 -41.390 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.571 -4.688 -40.633 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.861 -3.971 -39.857 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.169 -5.105 -38.951 1.00 1.00 H new ATOM 333 N LEU A 62 -0.098 -8.060 -39.545 1.00 1.00 N ATOM 334 CA LEU A 62 0.701 -9.280 -39.590 1.00 1.00 C ATOM 335 C LEU A 62 0.092 -10.294 -40.553 1.00 1.00 C ATOM 336 O LEU A 62 0.725 -10.697 -41.528 1.00 1.00 O ATOM 337 CB LEU A 62 0.814 -9.891 -38.192 1.00 1.00 C ATOM 338 CG LEU A 62 1.999 -9.421 -37.348 1.00 1.00 C ATOM 339 CD1 LEU A 62 1.791 -9.787 -35.886 1.00 1.00 C ATOM 340 CD2 LEU A 62 3.296 -10.021 -37.870 1.00 1.00 C ATOM 0 H LEU A 62 -0.533 -7.874 -38.641 1.00 1.00 H new ATOM 0 HA LEU A 62 1.697 -9.020 -39.948 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -0.104 -9.673 -37.647 1.00 1.00 H new ATOM 0 HB3 LEU A 62 0.874 -10.975 -38.295 1.00 1.00 H new ATOM 0 HG LEU A 62 2.067 -8.336 -37.424 1.00 1.00 H new ATOM 0 HD11 LEU A 62 2.644 -9.445 -35.300 1.00 1.00 H new ATOM 0 HD12 LEU A 62 0.883 -9.310 -35.517 1.00 1.00 H new ATOM 0 HD13 LEU A 62 1.697 -10.869 -35.792 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.129 -9.676 -37.258 1.00 1.00 H new ATOM 0 HD22 LEU A 62 3.238 -11.108 -37.824 1.00 1.00 H new ATOM 0 HD23 LEU A 62 3.451 -9.709 -38.903 1.00 1.00 H new ATOM 352 N GLY A 63 -1.143 -10.700 -40.274 1.00 1.00 N ATOM 353 CA GLY A 63 -1.818 -11.660 -41.127 1.00 1.00 C ATOM 354 C GLY A 63 -1.816 -11.244 -42.585 1.00 1.00 C ATOM 355 O GLY A 63 -1.493 -12.042 -43.465 1.00 1.00 O ATOM 0 H GLY A 63 -1.688 -10.381 -39.473 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -1.334 -12.632 -41.029 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -2.847 -11.781 -40.789 1.00 1.00 H new ATOM 359 N ILE A 64 -2.178 -9.991 -42.841 1.00 1.00 N ATOM 360 CA ILE A 64 -2.218 -9.472 -44.202 1.00 1.00 C ATOM 361 C ILE A 64 -0.818 -9.397 -44.803 1.00 1.00 C ATOM 362 O ILE A 64 -0.612 -9.737 -45.967 1.00 1.00 O ATOM 363 CB ILE A 64 -2.861 -8.073 -44.252 1.00 1.00 C ATOM 364 CG1 ILE A 64 -4.282 -8.121 -43.687 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.870 -7.545 -45.679 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.907 -6.755 -43.509 1.00 1.00 C ATOM 0 H ILE A 64 -2.447 -9.317 -42.124 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.825 -10.164 -44.786 1.00 1.00 H new ATOM 0 HB ILE A 64 -2.269 -7.395 -43.638 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.909 -8.715 -44.352 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -4.265 -8.632 -42.724 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -3.327 -6.556 -45.698 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.847 -7.479 -46.049 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -3.442 -8.222 -46.314 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.913 -6.865 -43.105 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.302 -6.165 -42.820 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.956 -6.249 -44.473 1.00 1.00 H new ATOM 378 N GLY A 65 0.142 -8.951 -43.999 1.00 1.00 N ATOM 379 CA GLY A 65 1.511 -8.841 -44.469 1.00 1.00 C ATOM 380 C GLY A 65 2.101 -10.182 -44.856 1.00 1.00 C ATOM 381 O GLY A 65 2.669 -10.330 -45.939 1.00 1.00 O ATOM 0 H GLY A 65 -0.003 -8.664 -43.031 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.544 -8.171 -45.329 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.124 -8.389 -43.689 1.00 1.00 H new ATOM 385 N LEU A 66 1.968 -11.163 -43.970 1.00 1.00 N ATOM 386 CA LEU A 66 2.494 -12.500 -44.224 1.00 1.00 C ATOM 387 C LEU A 66 1.788 -13.146 -45.412 1.00 1.00 C ATOM 388 O LEU A 66 2.380 -13.941 -46.142 1.00 1.00 O ATOM 389 CB LEU A 66 2.333 -13.377 -42.982 1.00 1.00 C ATOM 390 CG LEU A 66 3.150 -12.964 -41.757 1.00 1.00 C ATOM 391 CD1 LEU A 66 2.454 -13.402 -40.478 1.00 1.00 C ATOM 392 CD2 LEU A 66 4.553 -13.548 -41.831 1.00 1.00 C ATOM 0 H LEU A 66 1.501 -11.058 -43.070 1.00 1.00 H new ATOM 0 HA LEU A 66 3.554 -12.408 -44.461 1.00 1.00 H new ATOM 0 HB2 LEU A 66 1.279 -13.388 -42.704 1.00 1.00 H new ATOM 0 HB3 LEU A 66 2.604 -14.399 -43.246 1.00 1.00 H new ATOM 0 HG LEU A 66 3.231 -11.877 -41.747 1.00 1.00 H new ATOM 0 HD11 LEU A 66 3.050 -13.099 -39.617 1.00 1.00 H new ATOM 0 HD12 LEU A 66 1.471 -12.935 -40.421 1.00 1.00 H new ATOM 0 HD13 LEU A 66 2.341 -14.486 -40.478 1.00 1.00 H new ATOM 0 HD21 LEU A 66 5.120 -13.244 -40.951 1.00 1.00 H new ATOM 0 HD22 LEU A 66 4.493 -14.636 -41.866 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.052 -13.183 -42.729 1.00 1.00 H new ATOM 404 N PHE A 67 0.520 -12.797 -45.601 1.00 1.00 N ATOM 405 CA PHE A 67 -0.267 -13.342 -46.701 1.00 1.00 C ATOM 406 C PHE A 67 0.140 -12.708 -48.028 1.00 1.00 C ATOM 407 O PHE A 67 0.335 -13.402 -49.026 1.00 1.00 O ATOM 408 CB PHE A 67 -1.759 -13.114 -46.451 1.00 1.00 C ATOM 409 CG PHE A 67 -2.644 -14.094 -47.167 1.00 1.00 C ATOM 410 CD1 PHE A 67 -2.645 -15.434 -46.814 1.00 1.00 C ATOM 411 CD2 PHE A 67 -3.475 -13.676 -48.194 1.00 1.00 C ATOM 412 CE1 PHE A 67 -3.457 -16.338 -47.472 1.00 1.00 C ATOM 413 CE2 PHE A 67 -4.290 -14.575 -48.855 1.00 1.00 C ATOM 414 CZ PHE A 67 -4.282 -15.908 -48.493 1.00 1.00 C ATOM 0 H PHE A 67 0.015 -12.139 -45.007 1.00 1.00 H new ATOM 0 HA PHE A 67 -0.074 -14.413 -46.756 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -1.953 -13.176 -45.380 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -2.021 -12.104 -46.764 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -2.004 -15.776 -46.015 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -3.486 -12.635 -48.481 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -3.447 -17.380 -47.188 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.933 -14.236 -49.654 1.00 1.00 H new ATOM 0 HZ PHE A 67 -4.919 -16.612 -49.007 1.00 1.00 H new ATOM 424 N MET A 68 0.266 -11.385 -48.030 1.00 1.00 N ATOM 425 CA MET A 68 0.652 -10.657 -49.234 1.00 1.00 C ATOM 426 C MET A 68 2.124 -10.888 -49.560 1.00 1.00 C ATOM 427 O MET A 68 2.575 -10.605 -50.670 1.00 1.00 O ATOM 428 CB MET A 68 0.386 -9.160 -49.057 1.00 1.00 C ATOM 429 CG MET A 68 -1.050 -8.839 -48.678 1.00 1.00 C ATOM 430 SD MET A 68 -2.115 -8.614 -50.116 1.00 1.00 S ATOM 431 CE MET A 68 -3.648 -9.320 -49.516 1.00 1.00 C ATOM 0 H MET A 68 0.107 -10.796 -47.213 1.00 1.00 H new ATOM 0 HA MET A 68 0.051 -11.031 -50.063 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.052 -8.769 -48.288 1.00 1.00 H new ATOM 0 HB3 MET A 68 0.633 -8.643 -49.985 1.00 1.00 H new ATOM 0 HG2 MET A 68 -1.447 -9.644 -48.059 1.00 1.00 H new ATOM 0 HG3 MET A 68 -1.068 -7.933 -48.072 1.00 1.00 H new ATOM 0 HE1 MET A 68 -4.408 -9.255 -50.295 1.00 1.00 H new ATOM 0 HE2 MET A 68 -3.488 -10.365 -49.251 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.982 -8.770 -48.636 1.00 1.00 H new ATOM 441 N ARG A 69 2.868 -11.403 -48.587 1.00 1.00 N ATOM 442 CA ARG A 69 4.289 -11.672 -48.772 1.00 1.00 C ATOM 443 C ARG A 69 4.500 -12.900 -49.653 1.00 1.00 C ATOM 444 O ARG A 69 5.625 -13.208 -50.045 1.00 1.00 O ATOM 445 CB ARG A 69 4.971 -11.879 -47.418 1.00 1.00 C ATOM 446 CG ARG A 69 5.515 -10.598 -46.808 1.00 1.00 C ATOM 447 CD ARG A 69 5.972 -10.814 -45.374 1.00 1.00 C ATOM 448 NE ARG A 69 7.272 -11.477 -45.307 1.00 1.00 N ATOM 449 CZ ARG A 69 7.972 -11.610 -44.186 1.00 1.00 C ATOM 450 NH1 ARG A 69 7.500 -11.131 -43.044 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.148 -12.226 -44.206 1.00 1.00 N ATOM 0 H ARG A 69 2.510 -11.642 -47.662 1.00 1.00 H new ATOM 0 HA ARG A 69 4.735 -10.810 -49.268 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.258 -12.326 -46.726 1.00 1.00 H new ATOM 0 HB3 ARG A 69 5.788 -12.590 -47.537 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.351 -10.235 -47.406 1.00 1.00 H new ATOM 0 HG3 ARG A 69 4.746 -9.826 -46.833 1.00 1.00 H new ATOM 0 HD2 ARG A 69 6.029 -9.853 -44.863 1.00 1.00 H new ATOM 0 HD3 ARG A 69 5.232 -11.413 -44.844 1.00 1.00 H new ATOM 0 HE ARG A 69 7.664 -11.859 -46.168 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.596 -10.658 -43.024 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.040 -11.235 -42.185 1.00 1.00 H new ATOM 0 HH21 ARG A 69 9.514 -12.597 -45.083 1.00 1.00 H new ATOM 0 HH22 ARG A 69 9.685 -12.328 -43.345 1.00 1.00 H new ATOM 465 N ARG A 70 3.410 -13.596 -49.959 1.00 1.00 N ATOM 466 CA ARG A 70 3.476 -14.791 -50.792 1.00 1.00 C ATOM 467 C ARG A 70 3.648 -14.420 -52.262 1.00 1.00 C ATOM 468 O ARG A 70 4.392 -15.072 -52.994 1.00 1.00 O ATOM 469 CB ARG A 70 2.213 -15.634 -50.612 1.00 1.00 C ATOM 470 CG ARG A 70 1.865 -15.907 -49.158 1.00 1.00 C ATOM 471 CD ARG A 70 2.804 -16.933 -48.543 1.00 1.00 C ATOM 472 NE ARG A 70 2.406 -17.296 -47.186 1.00 1.00 N ATOM 473 CZ ARG A 70 2.829 -18.391 -46.564 1.00 1.00 C ATOM 474 NH1 ARG A 70 3.660 -19.225 -47.174 1.00 1.00 N ATOM 475 NH2 ARG A 70 2.422 -18.653 -45.328 1.00 1.00 N ATOM 0 H ARG A 70 2.471 -13.353 -49.643 1.00 1.00 H new ATOM 0 HA ARG A 70 4.342 -15.375 -50.479 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.375 -15.124 -51.088 1.00 1.00 H new ATOM 0 HB3 ARG A 70 2.344 -16.584 -51.130 1.00 1.00 H new ATOM 0 HG2 ARG A 70 1.917 -14.978 -48.590 1.00 1.00 H new ATOM 0 HG3 ARG A 70 0.838 -16.265 -49.090 1.00 1.00 H new ATOM 0 HD2 ARG A 70 2.822 -17.827 -49.167 1.00 1.00 H new ATOM 0 HD3 ARG A 70 3.818 -16.533 -48.529 1.00 1.00 H new ATOM 0 HE ARG A 70 1.768 -16.675 -46.688 1.00 1.00 H new ATOM 0 HH11 ARG A 70 3.976 -19.027 -48.123 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.983 -20.065 -46.694 1.00 1.00 H new ATOM 0 HH21 ARG A 70 1.784 -18.013 -44.855 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.747 -19.494 -44.851 1.00 1.00 H new ATOM 489 N ARG A 71 2.953 -13.369 -52.687 1.00 1.00 N ATOM 490 CA ARG A 71 3.027 -12.913 -54.069 1.00 1.00 C ATOM 491 C ARG A 71 3.973 -11.722 -54.199 1.00 1.00 C ATOM 492 O ARG A 71 4.539 -11.478 -55.265 1.00 1.00 O ATOM 493 CB ARG A 71 1.636 -12.530 -54.578 1.00 1.00 C ATOM 494 CG ARG A 71 0.886 -13.683 -55.225 1.00 1.00 C ATOM 495 CD ARG A 71 1.425 -13.990 -56.613 1.00 1.00 C ATOM 496 NE ARG A 71 2.496 -14.983 -56.577 1.00 1.00 N ATOM 497 CZ ARG A 71 2.289 -16.280 -56.378 1.00 1.00 C ATOM 498 NH1 ARG A 71 1.057 -16.738 -56.199 1.00 1.00 N ATOM 499 NH2 ARG A 71 3.314 -17.122 -56.360 1.00 1.00 N ATOM 0 H ARG A 71 2.333 -12.818 -52.094 1.00 1.00 H new ATOM 0 HA ARG A 71 3.415 -13.732 -54.674 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.047 -12.146 -53.745 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.733 -11.720 -55.301 1.00 1.00 H new ATOM 0 HG2 ARG A 71 0.969 -14.570 -54.597 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -0.174 -13.437 -55.291 1.00 1.00 H new ATOM 0 HD2 ARG A 71 0.614 -14.354 -57.244 1.00 1.00 H new ATOM 0 HD3 ARG A 71 1.797 -13.072 -57.069 1.00 1.00 H new ATOM 0 HE ARG A 71 3.455 -14.663 -56.712 1.00 1.00 H new ATOM 0 HH11 ARG A 71 0.266 -16.094 -56.214 1.00 1.00 H new ATOM 0 HH12 ARG A 71 0.900 -17.734 -56.046 1.00 1.00 H new ATOM 0 HH21 ARG A 71 4.263 -16.774 -56.499 1.00 1.00 H new ATOM 0 HH22 ARG A 71 3.154 -18.118 -56.207 1.00 1.00 H new ATOM 513 N HIS A 72 4.139 -10.983 -53.106 1.00 1.00 N ATOM 514 CA HIS A 72 5.017 -9.818 -53.097 1.00 1.00 C ATOM 515 C HIS A 72 6.462 -10.225 -53.367 1.00 1.00 C ATOM 516 O HIS A 72 7.304 -9.385 -53.686 1.00 1.00 O ATOM 517 CB HIS A 72 4.921 -9.092 -51.755 1.00 1.00 C ATOM 518 CG HIS A 72 3.868 -8.028 -51.723 1.00 1.00 C ATOM 519 ND1 HIS A 72 3.642 -7.162 -52.772 1.00 1.00 N ATOM 520 CD2 HIS A 72 2.977 -7.692 -50.762 1.00 1.00 C ATOM 521 CE1 HIS A 72 2.658 -6.339 -52.457 1.00 1.00 C ATOM 522 NE2 HIS A 72 2.236 -6.640 -51.242 1.00 1.00 N ATOM 0 H HIS A 72 3.677 -11.170 -52.216 1.00 1.00 H new ATOM 0 HA HIS A 72 4.694 -9.144 -53.890 1.00 1.00 H new ATOM 0 HB2 HIS A 72 4.713 -9.821 -50.971 1.00 1.00 H new ATOM 0 HB3 HIS A 72 5.887 -8.643 -51.525 1.00 1.00 H new ATOM 0 HD2 HIS A 72 2.869 -8.164 -49.796 1.00 1.00 H new ATOM 0 HE1 HIS A 72 2.265 -5.554 -53.086 1.00 1.00 H new ATOM 0 HE2 HIS A 72 1.483 -6.168 -50.742 1.00 1.00 H new ATOM 530 N ILE A 73 6.742 -11.517 -53.236 1.00 1.00 N ATOM 531 CA ILE A 73 8.086 -12.034 -53.466 1.00 1.00 C ATOM 532 C ILE A 73 8.654 -11.522 -54.785 1.00 1.00 C ATOM 533 O ILE A 73 9.864 -11.343 -54.925 1.00 1.00 O ATOM 534 CB ILE A 73 8.102 -13.574 -53.476 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.587 -14.120 -52.143 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.507 -14.087 -53.758 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.340 -13.593 -50.942 1.00 1.00 C ATOM 0 H ILE A 73 6.057 -12.225 -52.972 1.00 1.00 H new ATOM 0 HA ILE A 73 8.706 -11.677 -52.644 1.00 1.00 H new ATOM 0 HB ILE A 73 7.442 -13.925 -54.270 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.532 -13.867 -52.040 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.654 -15.208 -52.155 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.502 -15.177 -53.762 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.839 -13.722 -54.730 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.187 -13.730 -52.984 1.00 1.00 H new ATOM 0 HD11 ILE A 73 7.920 -14.023 -50.032 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.391 -13.869 -51.022 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.252 -12.507 -50.905 1.00 1.00 H new ATOM 549 N VAL A 74 7.771 -11.287 -55.751 1.00 1.00 N ATOM 550 CA VAL A 74 8.184 -10.790 -57.059 1.00 1.00 C ATOM 551 C VAL A 74 8.903 -9.452 -56.937 1.00 1.00 C ATOM 552 O VAL A 74 8.739 -8.735 -55.949 1.00 1.00 O ATOM 553 CB VAL A 74 6.978 -10.628 -58.004 1.00 1.00 C ATOM 554 CG1 VAL A 74 7.446 -10.367 -59.427 1.00 1.00 C ATOM 555 CG2 VAL A 74 6.086 -11.859 -57.945 1.00 1.00 C ATOM 0 H VAL A 74 6.766 -11.433 -55.653 1.00 1.00 H new ATOM 0 HA VAL A 74 8.867 -11.529 -57.477 1.00 1.00 H new ATOM 0 HB VAL A 74 6.394 -9.768 -57.676 1.00 1.00 H new ATOM 0 HG11 VAL A 74 6.580 -10.255 -60.080 1.00 1.00 H new ATOM 0 HG12 VAL A 74 8.040 -9.454 -59.453 1.00 1.00 H new ATOM 0 HG13 VAL A 74 8.053 -11.205 -59.770 1.00 1.00 H new ATOM 0 HG21 VAL A 74 5.239 -11.727 -58.619 1.00 1.00 H new ATOM 0 HG22 VAL A 74 6.657 -12.737 -58.247 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.722 -11.996 -56.927 1.00 1.00 H new ATOM 565 N ARG A 75 9.701 -9.121 -57.947 1.00 1.00 N ATOM 566 CA ARG A 75 10.447 -7.868 -57.952 1.00 1.00 C ATOM 567 C ARG A 75 9.568 -6.710 -57.488 1.00 1.00 C ATOM 568 O ARG A 75 8.610 -6.333 -58.163 1.00 1.00 O ATOM 569 CB ARG A 75 10.990 -7.580 -59.353 1.00 1.00 C ATOM 570 CG ARG A 75 12.158 -8.468 -59.748 1.00 1.00 C ATOM 571 CD ARG A 75 12.353 -8.495 -61.256 1.00 1.00 C ATOM 572 NE ARG A 75 13.485 -9.330 -61.647 1.00 1.00 N ATOM 573 CZ ARG A 75 13.457 -10.658 -61.636 1.00 1.00 C ATOM 574 NH1 ARG A 75 12.359 -11.298 -61.256 1.00 1.00 N ATOM 575 NH2 ARG A 75 14.528 -11.349 -62.006 1.00 1.00 N ATOM 0 H ARG A 75 9.848 -9.703 -58.772 1.00 1.00 H new ATOM 0 HA ARG A 75 11.282 -7.968 -57.259 1.00 1.00 H new ATOM 0 HB2 ARG A 75 10.186 -7.707 -60.078 1.00 1.00 H new ATOM 0 HB3 ARG A 75 11.304 -6.537 -59.405 1.00 1.00 H new ATOM 0 HG2 ARG A 75 13.068 -8.108 -59.269 1.00 1.00 H new ATOM 0 HG3 ARG A 75 11.986 -9.481 -59.384 1.00 1.00 H new ATOM 0 HD2 ARG A 75 11.446 -8.868 -61.732 1.00 1.00 H new ATOM 0 HD3 ARG A 75 12.509 -7.479 -61.619 1.00 1.00 H new ATOM 0 HE ARG A 75 14.344 -8.868 -61.945 1.00 1.00 H new ATOM 0 HH11 ARG A 75 11.534 -10.770 -60.971 1.00 1.00 H new ATOM 0 HH12 ARG A 75 12.340 -12.318 -61.248 1.00 1.00 H new ATOM 0 HH21 ARG A 75 15.374 -10.860 -62.299 1.00 1.00 H new ATOM 0 HH22 ARG A 75 14.505 -12.369 -61.997 1.00 1.00 H new ATOM 589 N LYS A 76 9.900 -6.150 -56.330 1.00 1.00 N ATOM 590 CA LYS A 76 9.143 -5.034 -55.774 1.00 1.00 C ATOM 591 C LYS A 76 9.071 -3.878 -56.766 1.00 1.00 C ATOM 592 O LYS A 76 8.143 -3.070 -56.726 1.00 1.00 O ATOM 593 CB LYS A 76 9.781 -4.560 -54.466 1.00 1.00 C ATOM 594 CG LYS A 76 10.078 -5.685 -53.490 1.00 1.00 C ATOM 595 CD LYS A 76 8.833 -6.502 -53.187 1.00 1.00 C ATOM 596 CE LYS A 76 9.143 -7.667 -52.260 1.00 1.00 C ATOM 597 NZ LYS A 76 10.040 -8.666 -52.905 1.00 1.00 N ATOM 0 H LYS A 76 10.689 -6.451 -55.758 1.00 1.00 H new ATOM 0 HA LYS A 76 8.129 -5.379 -55.572 1.00 1.00 H new ATOM 0 HB2 LYS A 76 10.708 -4.034 -54.694 1.00 1.00 H new ATOM 0 HB3 LYS A 76 9.116 -3.841 -53.987 1.00 1.00 H new ATOM 0 HG2 LYS A 76 10.849 -6.334 -53.905 1.00 1.00 H new ATOM 0 HG3 LYS A 76 10.476 -5.269 -52.564 1.00 1.00 H new ATOM 0 HD2 LYS A 76 8.079 -5.862 -52.729 1.00 1.00 H new ATOM 0 HD3 LYS A 76 8.409 -6.879 -54.117 1.00 1.00 H new ATOM 0 HE2 LYS A 76 9.612 -7.292 -51.350 1.00 1.00 H new ATOM 0 HE3 LYS A 76 8.213 -8.152 -51.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 9.961 -9.576 -52.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 9.763 -8.790 -53.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 11.023 -8.330 -52.859 1.00 1.00 H new ATOM 611 N ARG A 77 10.055 -3.806 -57.656 1.00 1.00 N ATOM 612 CA ARG A 77 10.102 -2.749 -58.659 1.00 1.00 C ATOM 613 C ARG A 77 8.813 -2.715 -59.475 1.00 1.00 C ATOM 614 O ARG A 77 8.338 -1.647 -59.863 1.00 1.00 O ATOM 615 CB ARG A 77 11.301 -2.951 -59.589 1.00 1.00 C ATOM 616 CG ARG A 77 12.563 -2.249 -59.116 1.00 1.00 C ATOM 617 CD ARG A 77 13.773 -2.668 -59.936 1.00 1.00 C ATOM 618 NE ARG A 77 14.916 -1.786 -59.714 1.00 1.00 N ATOM 619 CZ ARG A 77 16.162 -2.097 -60.055 1.00 1.00 C ATOM 620 NH1 ARG A 77 16.423 -3.262 -60.631 1.00 1.00 N ATOM 621 NH2 ARG A 77 17.149 -1.242 -59.820 1.00 1.00 N ATOM 0 H ARG A 77 10.830 -4.467 -57.703 1.00 1.00 H new ATOM 0 HA ARG A 77 10.209 -1.796 -58.140 1.00 1.00 H new ATOM 0 HB2 ARG A 77 11.502 -4.018 -59.682 1.00 1.00 H new ATOM 0 HB3 ARG A 77 11.044 -2.587 -60.584 1.00 1.00 H new ATOM 0 HG2 ARG A 77 12.429 -1.170 -59.188 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.737 -2.479 -58.065 1.00 1.00 H new ATOM 0 HD2 ARG A 77 14.049 -3.691 -59.679 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.513 -2.665 -60.994 1.00 1.00 H new ATOM 0 HE ARG A 77 14.748 -0.882 -59.273 1.00 1.00 H new ATOM 0 HH11 ARG A 77 15.667 -3.922 -60.813 1.00 1.00 H new ATOM 0 HH12 ARG A 77 17.380 -3.499 -60.892 1.00 1.00 H new ATOM 0 HH21 ARG A 77 16.952 -0.345 -59.377 1.00 1.00 H new ATOM 0 HH22 ARG A 77 18.105 -1.482 -60.082 1.00 1.00 H new ATOM 635 N THR A 78 8.250 -3.892 -59.732 1.00 1.00 N ATOM 636 CA THR A 78 7.017 -3.998 -60.501 1.00 1.00 C ATOM 637 C THR A 78 5.934 -3.090 -59.931 1.00 1.00 C ATOM 638 O THR A 78 5.386 -2.241 -60.636 1.00 1.00 O ATOM 639 CB THR A 78 6.494 -5.447 -60.528 1.00 1.00 C ATOM 640 OG1 THR A 78 7.594 -6.364 -60.555 1.00 1.00 O ATOM 641 CG2 THR A 78 5.605 -5.679 -61.741 1.00 1.00 C ATOM 0 H THR A 78 8.629 -4.785 -59.418 1.00 1.00 H new ATOM 0 HA THR A 78 7.252 -3.685 -61.518 1.00 1.00 H new ATOM 0 HB THR A 78 5.904 -5.614 -59.627 1.00 1.00 H new ATOM 0 HG1 THR A 78 7.825 -6.625 -59.639 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.248 -6.709 -61.739 1.00 1.00 H new ATOM 0 HG22 THR A 78 4.754 -4.999 -61.703 1.00 1.00 H new ATOM 0 HG23 THR A 78 6.176 -5.495 -62.651 1.00 1.00 H new ATOM 649 N LEU A 79 5.628 -3.272 -58.651 1.00 1.00 N ATOM 650 CA LEU A 79 4.610 -2.467 -57.985 1.00 1.00 C ATOM 651 C LEU A 79 4.971 -0.986 -58.030 1.00 1.00 C ATOM 652 O LEU A 79 4.118 -0.136 -58.285 1.00 1.00 O ATOM 653 CB LEU A 79 4.443 -2.920 -56.534 1.00 1.00 C ATOM 654 CG LEU A 79 4.281 -4.425 -56.314 1.00 1.00 C ATOM 655 CD1 LEU A 79 5.358 -4.946 -55.375 1.00 1.00 C ATOM 656 CD2 LEU A 79 2.896 -4.738 -55.767 1.00 1.00 C ATOM 0 H LEU A 79 6.071 -3.970 -58.053 1.00 1.00 H new ATOM 0 HA LEU A 79 3.667 -2.608 -58.514 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.310 -2.582 -55.967 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.572 -2.416 -56.115 1.00 1.00 H new ATOM 0 HG LEU A 79 4.392 -4.928 -57.275 1.00 1.00 H new ATOM 0 HD11 LEU A 79 5.227 -6.018 -55.230 1.00 1.00 H new ATOM 0 HD12 LEU A 79 6.340 -4.756 -55.807 1.00 1.00 H new ATOM 0 HD13 LEU A 79 5.280 -4.438 -54.414 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.799 -5.813 -55.617 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.756 -4.224 -54.816 1.00 1.00 H new ATOM 0 HD23 LEU A 79 2.140 -4.401 -56.476 1.00 1.00 H new ATOM 668 N ARG A 80 6.241 -0.685 -57.781 1.00 1.00 N ATOM 669 CA ARG A 80 6.716 0.694 -57.793 1.00 1.00 C ATOM 670 C ARG A 80 6.441 1.352 -59.142 1.00 1.00 C ATOM 671 O ARG A 80 5.894 2.453 -59.207 1.00 1.00 O ATOM 672 CB ARG A 80 8.214 0.743 -57.486 1.00 1.00 C ATOM 673 CG ARG A 80 8.573 0.188 -56.117 1.00 1.00 C ATOM 674 CD ARG A 80 9.794 0.885 -55.537 1.00 1.00 C ATOM 675 NE ARG A 80 9.841 0.783 -54.081 1.00 1.00 N ATOM 676 CZ ARG A 80 9.087 1.515 -53.268 1.00 1.00 C ATOM 677 NH1 ARG A 80 8.233 2.397 -53.767 1.00 1.00 N ATOM 678 NH2 ARG A 80 9.188 1.365 -51.953 1.00 1.00 N ATOM 0 H ARG A 80 6.960 -1.377 -57.569 1.00 1.00 H new ATOM 0 HA ARG A 80 6.176 1.244 -57.023 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.751 0.180 -58.249 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.556 1.776 -57.551 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.727 0.310 -55.440 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.766 -0.882 -56.196 1.00 1.00 H new ATOM 0 HD2 ARG A 80 10.697 0.446 -55.961 1.00 1.00 H new ATOM 0 HD3 ARG A 80 9.784 1.936 -55.827 1.00 1.00 H new ATOM 0 HE ARG A 80 10.488 0.113 -53.665 1.00 1.00 H new ATOM 0 HH11 ARG A 80 8.154 2.515 -54.777 1.00 1.00 H new ATOM 0 HH12 ARG A 80 7.655 2.958 -53.141 1.00 1.00 H new ATOM 0 HH21 ARG A 80 9.845 0.687 -51.566 1.00 1.00 H new ATOM 0 HH22 ARG A 80 8.609 1.927 -51.330 1.00 1.00 H new ATOM 692 N ARG A 81 6.824 0.670 -60.216 1.00 1.00 N ATOM 693 CA ARG A 81 6.618 1.188 -61.564 1.00 1.00 C ATOM 694 C ARG A 81 5.133 1.232 -61.908 1.00 1.00 C ATOM 695 O ARG A 81 4.683 2.104 -62.654 1.00 1.00 O ATOM 696 CB ARG A 81 7.364 0.325 -62.584 1.00 1.00 C ATOM 697 CG ARG A 81 8.868 0.547 -62.585 1.00 1.00 C ATOM 698 CD ARG A 81 9.263 1.681 -63.518 1.00 1.00 C ATOM 699 NE ARG A 81 9.150 1.298 -64.923 1.00 1.00 N ATOM 700 CZ ARG A 81 9.654 2.014 -65.922 1.00 1.00 C ATOM 701 NH1 ARG A 81 10.303 3.143 -65.672 1.00 1.00 N ATOM 702 NH2 ARG A 81 9.510 1.600 -67.175 1.00 1.00 N ATOM 0 H ARG A 81 7.279 -0.242 -60.180 1.00 1.00 H new ATOM 0 HA ARG A 81 7.012 2.204 -61.600 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.160 -0.726 -62.377 1.00 1.00 H new ATOM 0 HB3 ARG A 81 6.974 0.535 -63.580 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.204 0.773 -61.573 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.372 -0.370 -62.891 1.00 1.00 H new ATOM 0 HD2 ARG A 81 8.628 2.546 -63.326 1.00 1.00 H new ATOM 0 HD3 ARG A 81 10.288 1.984 -63.306 1.00 1.00 H new ATOM 0 HE ARG A 81 8.657 0.434 -65.149 1.00 1.00 H new ATOM 0 HH11 ARG A 81 10.416 3.464 -64.710 1.00 1.00 H new ATOM 0 HH12 ARG A 81 10.689 3.691 -66.441 1.00 1.00 H new ATOM 0 HH21 ARG A 81 9.012 0.732 -67.371 1.00 1.00 H new ATOM 0 HH22 ARG A 81 9.897 2.150 -67.942 1.00 1.00 H new ATOM 716 N LEU A 82 4.375 0.287 -61.362 1.00 1.00 N ATOM 717 CA LEU A 82 2.940 0.218 -61.613 1.00 1.00 C ATOM 718 C LEU A 82 2.242 1.489 -61.140 1.00 1.00 C ATOM 719 O LEU A 82 1.547 2.152 -61.911 1.00 1.00 O ATOM 720 CB LEU A 82 2.338 -1.000 -60.908 1.00 1.00 C ATOM 721 CG LEU A 82 2.348 -2.307 -61.701 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.255 -3.501 -60.764 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.209 -2.328 -62.710 1.00 1.00 C ATOM 0 H LEU A 82 4.730 -0.442 -60.743 1.00 1.00 H new ATOM 0 HA LEU A 82 2.788 0.121 -62.688 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.880 -1.160 -59.976 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.307 -0.768 -60.642 1.00 1.00 H new ATOM 0 HG LEU A 82 3.290 -2.372 -62.246 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.263 -4.422 -61.347 1.00 1.00 H new ATOM 0 HD12 LEU A 82 3.105 -3.495 -60.082 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.330 -3.443 -60.191 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.232 -3.266 -63.265 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.257 -2.240 -62.186 1.00 1.00 H new ATOM 0 HD23 LEU A 82 1.321 -1.494 -63.402 1.00 1.00 H new ATOM 735 N LEU A 83 2.434 1.825 -59.869 1.00 1.00 N ATOM 736 CA LEU A 83 1.824 3.019 -59.293 1.00 1.00 C ATOM 737 C LEU A 83 2.358 4.281 -59.964 1.00 1.00 C ATOM 738 O LEU A 83 1.608 5.222 -60.220 1.00 1.00 O ATOM 739 CB LEU A 83 2.090 3.076 -57.788 1.00 1.00 C ATOM 740 CG LEU A 83 1.397 2.007 -56.943 1.00 1.00 C ATOM 741 CD1 LEU A 83 2.042 1.912 -55.569 1.00 1.00 C ATOM 742 CD2 LEU A 83 -0.089 2.308 -56.817 1.00 1.00 C ATOM 0 H LEU A 83 3.007 1.288 -59.218 1.00 1.00 H new ATOM 0 HA LEU A 83 0.749 2.966 -59.464 1.00 1.00 H new ATOM 0 HB2 LEU A 83 3.165 2.998 -57.626 1.00 1.00 H new ATOM 0 HB3 LEU A 83 1.783 4.056 -57.422 1.00 1.00 H new ATOM 0 HG LEU A 83 1.511 1.045 -57.443 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.536 1.146 -54.982 1.00 1.00 H new ATOM 0 HD12 LEU A 83 3.094 1.649 -55.678 1.00 1.00 H new ATOM 0 HD13 LEU A 83 1.959 2.873 -55.061 1.00 1.00 H new ATOM 0 HD21 LEU A 83 -0.566 1.537 -56.212 1.00 1.00 H new ATOM 0 HD22 LEU A 83 -0.224 3.279 -56.340 1.00 1.00 H new ATOM 0 HD23 LEU A 83 -0.542 2.324 -57.808 1.00 1.00 H new ATOM 754 N GLN A 84 3.656 4.290 -60.247 1.00 1.00 N ATOM 755 CA GLN A 84 4.289 5.436 -60.889 1.00 1.00 C ATOM 756 C GLN A 84 3.703 5.675 -62.277 1.00 1.00 C ATOM 757 O GLN A 84 3.488 6.817 -62.681 1.00 1.00 O ATOM 758 CB GLN A 84 5.800 5.220 -60.991 1.00 1.00 C ATOM 759 CG GLN A 84 6.568 5.702 -59.771 1.00 1.00 C ATOM 760 CD GLN A 84 8.061 5.791 -60.018 1.00 1.00 C ATOM 761 OE1 GLN A 84 8.596 6.870 -60.272 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.742 4.653 -59.944 1.00 1.00 N ATOM 0 H GLN A 84 4.290 3.517 -60.042 1.00 1.00 H new ATOM 0 HA GLN A 84 4.095 6.316 -60.276 1.00 1.00 H new ATOM 0 HB2 GLN A 84 5.998 4.158 -61.138 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.174 5.739 -61.874 1.00 1.00 H new ATOM 0 HG2 GLN A 84 6.194 6.682 -59.475 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.381 5.024 -58.938 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.257 3.781 -59.731 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.750 4.651 -60.101 1.00 1.00 H new ATOM 771 N GLU A 85 3.447 4.590 -63.001 1.00 1.00 N ATOM 772 CA GLU A 85 2.888 4.683 -64.344 1.00 1.00 C ATOM 773 C GLU A 85 1.388 4.959 -64.292 1.00 1.00 C ATOM 774 O GLU A 85 0.842 5.643 -65.157 1.00 1.00 O ATOM 775 CB GLU A 85 3.153 3.392 -65.122 1.00 1.00 C ATOM 776 CG GLU A 85 4.453 3.411 -65.908 1.00 1.00 C ATOM 777 CD GLU A 85 4.317 4.116 -67.244 1.00 1.00 C ATOM 778 OE1 GLU A 85 3.172 4.424 -67.637 1.00 1.00 O ATOM 779 OE2 GLU A 85 5.354 4.359 -67.895 1.00 1.00 O ATOM 0 H GLU A 85 3.618 3.637 -62.680 1.00 1.00 H new ATOM 0 HA GLU A 85 3.375 5.513 -64.855 1.00 1.00 H new ATOM 0 HB2 GLU A 85 3.172 2.555 -64.424 1.00 1.00 H new ATOM 0 HB3 GLU A 85 2.325 3.215 -65.809 1.00 1.00 H new ATOM 0 HG2 GLU A 85 5.223 3.906 -65.317 1.00 1.00 H new ATOM 0 HG3 GLU A 85 4.788 2.387 -66.074 1.00 1.00 H new ATOM 786 N ARG A 86 0.729 4.422 -63.270 1.00 1.00 N ATOM 787 CA ARG A 86 -0.707 4.608 -63.105 1.00 1.00 C ATOM 788 C ARG A 86 -1.051 6.087 -62.963 1.00 1.00 C ATOM 789 O ARG A 86 -1.982 6.581 -63.598 1.00 1.00 O ATOM 790 CB ARG A 86 -1.205 3.838 -61.881 1.00 1.00 C ATOM 791 CG ARG A 86 -1.458 2.363 -62.150 1.00 1.00 C ATOM 792 CD ARG A 86 -2.716 2.155 -62.979 1.00 1.00 C ATOM 793 NE ARG A 86 -2.427 2.114 -64.410 1.00 1.00 N ATOM 794 CZ ARG A 86 -1.790 1.110 -65.002 1.00 1.00 C ATOM 795 NH1 ARG A 86 -1.378 0.070 -64.291 1.00 1.00 N ATOM 796 NH2 ARG A 86 -1.565 1.144 -66.309 1.00 1.00 N ATOM 0 H ARG A 86 1.167 3.855 -62.544 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.203 4.221 -63.996 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.472 3.932 -61.080 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.127 4.297 -61.524 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -0.602 1.935 -62.672 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.553 1.831 -61.204 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.198 1.224 -62.680 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.422 2.960 -62.775 1.00 1.00 H new ATOM 0 HE ARG A 86 -2.731 2.899 -64.986 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -1.550 0.039 -63.286 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -0.889 -0.699 -64.749 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -1.881 1.942 -66.860 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -1.076 0.372 -66.763 1.00 1.00 H new ATOM 810 N GLU A 87 -0.293 6.788 -62.125 1.00 1.00 N ATOM 811 CA GLU A 87 -0.520 8.211 -61.900 1.00 1.00 C ATOM 812 C GLU A 87 -0.219 9.016 -63.160 1.00 1.00 C ATOM 813 O GLU A 87 0.941 9.285 -63.477 1.00 1.00 O ATOM 814 CB GLU A 87 0.348 8.711 -60.743 1.00 1.00 C ATOM 815 CG GLU A 87 -0.194 8.343 -59.372 1.00 1.00 C ATOM 816 CD GLU A 87 0.849 8.468 -58.279 1.00 1.00 C ATOM 817 OE1 GLU A 87 2.051 8.529 -58.612 1.00 1.00 O ATOM 818 OE2 GLU A 87 0.464 8.505 -57.092 1.00 1.00 O ATOM 0 H GLU A 87 0.482 6.394 -61.592 1.00 1.00 H new ATOM 0 HA GLU A 87 -1.570 8.349 -61.644 1.00 1.00 H new ATOM 0 HB2 GLU A 87 1.352 8.301 -60.850 1.00 1.00 H new ATOM 0 HB3 GLU A 87 0.438 9.795 -60.810 1.00 1.00 H new ATOM 0 HG2 GLU A 87 -1.041 8.987 -59.136 1.00 1.00 H new ATOM 0 HG3 GLU A 87 -0.568 7.320 -59.396 1.00 1.00 H new ATOM 825 N LEU A 88 -1.271 9.398 -63.876 1.00 1.00 N ATOM 826 CA LEU A 88 -1.121 10.173 -65.103 1.00 1.00 C ATOM 827 C LEU A 88 -0.786 11.628 -64.792 1.00 1.00 C ATOM 828 O LEU A 88 0.314 12.098 -65.080 1.00 1.00 O ATOM 829 CB LEU A 88 -2.402 10.099 -65.936 1.00 1.00 C ATOM 830 CG LEU A 88 -2.310 10.650 -67.359 1.00 1.00 C ATOM 831 CD1 LEU A 88 -1.514 9.706 -68.247 1.00 1.00 C ATOM 832 CD2 LEU A 88 -3.701 10.878 -67.934 1.00 1.00 C ATOM 0 H LEU A 88 -2.237 9.184 -63.628 1.00 1.00 H new ATOM 0 HA LEU A 88 -0.298 9.745 -65.675 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -2.716 9.057 -65.991 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -3.187 10.641 -65.408 1.00 1.00 H new ATOM 0 HG LEU A 88 -1.791 11.608 -67.324 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -1.459 10.115 -69.256 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -0.507 9.592 -67.846 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -2.005 8.733 -68.276 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -3.616 11.270 -68.947 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -4.245 9.934 -67.955 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -4.239 11.593 -67.312 1.00 1.00 H new ATOM 844 N VAL A 89 -1.743 12.335 -64.198 1.00 1.00 N ATOM 845 CA VAL A 89 -1.548 13.736 -63.844 1.00 1.00 C ATOM 846 C VAL A 89 -0.388 13.900 -62.868 1.00 1.00 C ATOM 847 O VAL A 89 0.453 14.783 -63.033 1.00 1.00 O ATOM 848 CB VAL A 89 -2.820 14.338 -63.217 1.00 1.00 C ATOM 849 CG1 VAL A 89 -2.594 15.795 -62.844 1.00 1.00 C ATOM 850 CG2 VAL A 89 -3.999 14.200 -64.169 1.00 1.00 C ATOM 0 H VAL A 89 -2.660 11.961 -63.952 1.00 1.00 H new ATOM 0 HA VAL A 89 -1.320 14.267 -64.768 1.00 1.00 H new ATOM 0 HB VAL A 89 -3.051 13.786 -62.306 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.503 16.203 -62.403 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -1.779 15.864 -62.124 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.338 16.364 -63.738 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.889 14.630 -63.710 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.780 14.725 -65.098 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -4.174 13.145 -64.381 1.00 1.00 H new ATOM 860 N GLU A 90 -0.350 13.043 -61.853 1.00 1.00 N ATOM 861 CA GLU A 90 0.707 13.094 -60.850 1.00 1.00 C ATOM 862 C GLU A 90 1.969 12.398 -61.354 1.00 1.00 C ATOM 863 O GLU A 90 1.922 11.252 -61.800 1.00 1.00 O ATOM 864 CB GLU A 90 0.238 12.444 -59.548 1.00 1.00 C ATOM 865 CG GLU A 90 0.913 13.006 -58.308 1.00 1.00 C ATOM 866 CD GLU A 90 0.257 14.281 -57.814 1.00 1.00 C ATOM 867 OE1 GLU A 90 -0.122 15.118 -58.659 1.00 1.00 O ATOM 868 OE2 GLU A 90 0.124 14.441 -56.583 1.00 1.00 O ATOM 0 H GLU A 90 -1.039 12.305 -61.703 1.00 1.00 H new ATOM 0 HA GLU A 90 0.942 14.141 -60.660 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -0.840 12.574 -59.455 1.00 1.00 H new ATOM 0 HB3 GLU A 90 0.426 11.372 -59.599 1.00 1.00 H new ATOM 0 HG2 GLU A 90 0.888 12.258 -57.515 1.00 1.00 H new ATOM 0 HG3 GLU A 90 1.962 13.203 -58.528 1.00 1.00 H new ATOM 875 N GLY A 91 3.095 13.100 -61.279 1.00 1.00 N ATOM 876 CA GLY A 91 4.353 12.534 -61.730 1.00 1.00 C ATOM 877 C GLY A 91 5.365 13.598 -62.109 1.00 1.00 C ATOM 878 O GLY A 91 6.077 13.461 -63.102 1.00 1.00 O ATOM 0 H GLY A 91 3.159 14.050 -60.914 1.00 1.00 H new ATOM 0 HA2 GLY A 91 4.769 11.906 -60.942 1.00 1.00 H new ATOM 0 HA3 GLY A 91 4.170 11.888 -62.589 1.00 1.00 H new ATOM 882 N GLY A 92 5.427 14.662 -61.314 1.00 1.00 N ATOM 883 CA GLY A 92 6.360 15.739 -61.590 1.00 1.00 C ATOM 884 C GLY A 92 6.785 16.474 -60.333 1.00 1.00 C ATOM 885 O GLY A 92 6.950 17.693 -60.345 1.00 1.00 O ATOM 0 H GLY A 92 4.849 14.797 -60.485 1.00 1.00 H new ATOM 0 HA2 GLY A 92 7.242 15.334 -62.086 1.00 1.00 H new ATOM 0 HA3 GLY A 92 5.901 16.445 -62.282 1.00 1.00 H new TER 889 GLY A 92