USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 569 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00448 USER MOD Single : A 30 ASN : amide:sc= -0.103 K(o=-0.1,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 38 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -37:sc= 0.57 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0881) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -136:sc= 0.244 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 79:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -90:sc= -0.421 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 43:sc=4.71e-05 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 0.460 -1.382 -2.900 1.00 62.44 N ATOM 19 CA LYS A 10 0.145 -2.614 -3.615 1.00 10.05 C ATOM 20 C LYS A 10 -0.419 -2.311 -4.999 1.00 41.10 C ATOM 21 O LYS A 10 -1.183 -1.362 -5.174 1.00 15.43 O ATOM 22 CB LYS A 10 -0.858 -3.449 -2.815 1.00 51.22 C ATOM 23 CG LYS A 10 -0.206 -4.423 -1.849 1.00 43.32 C ATOM 24 CD LYS A 10 -0.997 -5.715 -1.741 1.00 70.32 C ATOM 25 CE LYS A 10 -2.127 -5.594 -0.730 1.00 23.41 C ATOM 26 NZ LYS A 10 -3.434 -6.013 -1.306 1.00 54.25 N ATOM 0 HA LYS A 10 1.068 -3.182 -3.735 1.00 10.05 H new ATOM 0 HB2 LYS A 10 -1.512 -2.779 -2.256 1.00 51.22 H new ATOM 0 HB3 LYS A 10 -1.489 -4.005 -3.508 1.00 51.22 H new ATOM 0 HG2 LYS A 10 0.808 -4.643 -2.182 1.00 43.32 H new ATOM 0 HG3 LYS A 10 -0.125 -3.962 -0.865 1.00 43.32 H new ATOM 0 HD2 LYS A 10 -1.407 -5.975 -2.717 1.00 70.32 H new ATOM 0 HD3 LYS A 10 -0.331 -6.527 -1.449 1.00 70.32 H new ATOM 0 HE2 LYS A 10 -1.901 -6.208 0.142 1.00 23.41 H new ATOM 0 HE3 LYS A 10 -2.196 -4.562 -0.385 1.00 23.41 H new ATOM 0 HZ1 LYS A 10 -4.178 -5.916 -0.586 1.00 54.25 H new ATOM 0 HZ2 LYS A 10 -3.662 -5.411 -2.123 1.00 54.25 H new ATOM 0 HZ3 LYS A 10 -3.376 -7.005 -1.612 1.00 54.25 H new ATOM 40 N ILE A 11 -0.038 -3.124 -5.979 1.00 11.32 N ATOM 41 CA ILE A 11 -0.508 -2.943 -7.347 1.00 34.24 C ATOM 42 C ILE A 11 -0.998 -4.261 -7.938 1.00 11.31 C ATOM 43 O ILE A 11 -0.477 -5.329 -7.619 1.00 22.43 O ATOM 44 CB ILE A 11 0.597 -2.367 -8.251 1.00 24.23 C ATOM 45 CG1 ILE A 11 1.172 -1.088 -7.639 1.00 12.12 C ATOM 46 CG2 ILE A 11 0.053 -2.096 -9.645 1.00 44.14 C ATOM 47 CD1 ILE A 11 2.386 -0.560 -8.371 1.00 21.43 C ATOM 0 H ILE A 11 0.594 -3.914 -5.851 1.00 11.32 H new ATOM 0 HA ILE A 11 -1.336 -2.236 -7.305 1.00 34.24 H new ATOM 0 HB ILE A 11 1.399 -3.101 -8.332 1.00 24.23 H new ATOM 0 HG12 ILE A 11 0.399 -0.319 -7.632 1.00 12.12 H new ATOM 0 HG13 ILE A 11 1.440 -1.281 -6.600 1.00 12.12 H new ATOM 0 HG21 ILE A 11 0.846 -1.689 -10.272 1.00 44.14 H new ATOM 0 HG22 ILE A 11 -0.313 -3.026 -10.080 1.00 44.14 H new ATOM 0 HG23 ILE A 11 -0.765 -1.378 -9.583 1.00 44.14 H new ATOM 0 HD11 ILE A 11 2.740 0.348 -7.882 1.00 21.43 H new ATOM 0 HD12 ILE A 11 3.175 -1.311 -8.356 1.00 21.43 H new ATOM 0 HD13 ILE A 11 2.119 -0.335 -9.404 1.00 21.43 H new ATOM 59 N LYS A 12 -2.003 -4.177 -8.803 1.00 62.24 N ATOM 60 CA LYS A 12 -2.562 -5.362 -9.443 1.00 54.34 C ATOM 61 C LYS A 12 -2.371 -5.305 -10.956 1.00 1.13 C ATOM 62 O LYS A 12 -2.835 -4.374 -11.615 1.00 3.34 O ATOM 63 CB LYS A 12 -4.051 -5.491 -9.112 1.00 3.14 C ATOM 64 CG LYS A 12 -4.365 -5.291 -7.639 1.00 52.22 C ATOM 65 CD LYS A 12 -5.842 -5.500 -7.351 1.00 54.11 C ATOM 66 CE LYS A 12 -6.146 -6.954 -7.026 1.00 35.32 C ATOM 67 NZ LYS A 12 -7.334 -7.453 -7.774 1.00 23.44 N ATOM 0 H LYS A 12 -2.447 -3.301 -9.077 1.00 62.24 H new ATOM 0 HA LYS A 12 -2.033 -6.235 -9.060 1.00 54.34 H new ATOM 0 HB2 LYS A 12 -4.609 -4.760 -9.697 1.00 3.14 H new ATOM 0 HB3 LYS A 12 -4.399 -6.477 -9.419 1.00 3.14 H new ATOM 0 HG2 LYS A 12 -3.775 -5.987 -7.042 1.00 52.22 H new ATOM 0 HG3 LYS A 12 -4.073 -4.285 -7.337 1.00 52.22 H new ATOM 0 HD2 LYS A 12 -6.144 -4.869 -6.515 1.00 54.11 H new ATOM 0 HD3 LYS A 12 -6.430 -5.188 -8.214 1.00 54.11 H new ATOM 0 HE2 LYS A 12 -5.279 -7.569 -7.268 1.00 35.32 H new ATOM 0 HE3 LYS A 12 -6.321 -7.058 -5.955 1.00 35.32 H new ATOM 0 HZ1 LYS A 12 -7.508 -8.448 -7.525 1.00 23.44 H new ATOM 0 HZ2 LYS A 12 -8.167 -6.882 -7.524 1.00 23.44 H new ATOM 0 HZ3 LYS A 12 -7.157 -7.378 -8.796 1.00 23.44 H new ATOM 81 N ILE A 13 -1.687 -6.306 -11.499 1.00 20.11 N ATOM 82 CA ILE A 13 -1.437 -6.370 -12.934 1.00 34.35 C ATOM 83 C ILE A 13 -2.295 -7.445 -13.593 1.00 64.31 C ATOM 84 O ILE A 13 -2.152 -8.633 -13.303 1.00 62.20 O ATOM 85 CB ILE A 13 0.046 -6.656 -13.235 1.00 13.23 C ATOM 86 CG1 ILE A 13 0.943 -5.727 -12.415 1.00 3.32 C ATOM 87 CG2 ILE A 13 0.325 -6.495 -14.722 1.00 11.54 C ATOM 88 CD1 ILE A 13 1.421 -6.339 -11.117 1.00 4.02 C ATOM 0 H ILE A 13 -1.296 -7.084 -10.967 1.00 20.11 H new ATOM 0 HA ILE A 13 -1.701 -5.395 -13.345 1.00 34.35 H new ATOM 0 HB ILE A 13 0.267 -7.685 -12.953 1.00 13.23 H new ATOM 0 HG12 ILE A 13 1.808 -5.447 -13.016 1.00 3.32 H new ATOM 0 HG13 ILE A 13 0.398 -4.809 -12.195 1.00 3.32 H new ATOM 0 HG21 ILE A 13 1.377 -6.700 -14.919 1.00 11.54 H new ATOM 0 HG22 ILE A 13 -0.293 -7.194 -15.286 1.00 11.54 H new ATOM 0 HG23 ILE A 13 0.091 -5.475 -15.028 1.00 11.54 H new ATOM 0 HD11 ILE A 13 2.052 -5.624 -10.588 1.00 4.02 H new ATOM 0 HD12 ILE A 13 0.562 -6.593 -10.496 1.00 4.02 H new ATOM 0 HD13 ILE A 13 1.995 -7.241 -11.330 1.00 4.02 H new ATOM 100 N VAL A 14 -3.185 -7.020 -14.484 1.00 70.40 N ATOM 101 CA VAL A 14 -4.064 -7.947 -15.188 1.00 1.40 C ATOM 102 C VAL A 14 -3.560 -8.215 -16.602 1.00 32.24 C ATOM 103 O VAL A 14 -3.597 -7.349 -17.476 1.00 13.14 O ATOM 104 CB VAL A 14 -5.505 -7.407 -15.262 1.00 5.20 C ATOM 105 CG1 VAL A 14 -6.445 -8.467 -15.815 1.00 24.35 C ATOM 106 CG2 VAL A 14 -5.967 -6.934 -13.892 1.00 60.20 C ATOM 0 H VAL A 14 -3.317 -6.040 -14.736 1.00 70.40 H new ATOM 0 HA VAL A 14 -4.061 -8.878 -14.622 1.00 1.40 H new ATOM 0 HB VAL A 14 -5.521 -6.554 -15.940 1.00 5.20 H new ATOM 0 HG11 VAL A 14 -7.458 -8.067 -15.860 1.00 24.35 H new ATOM 0 HG12 VAL A 14 -6.123 -8.752 -16.816 1.00 24.35 H new ATOM 0 HG13 VAL A 14 -6.429 -9.342 -15.166 1.00 24.35 H new ATOM 0 HG21 VAL A 14 -6.987 -6.556 -13.963 1.00 60.20 H new ATOM 0 HG22 VAL A 14 -5.937 -7.767 -13.190 1.00 60.20 H new ATOM 0 HG23 VAL A 14 -5.309 -6.139 -13.540 1.00 60.20 H new ATOM 116 N PRO A 15 -3.078 -9.445 -16.834 1.00 43.11 N ATOM 117 CA PRO A 15 -2.558 -9.857 -18.141 1.00 61.33 C ATOM 118 C PRO A 15 -3.659 -9.985 -19.189 1.00 4.41 C ATOM 119 O PRO A 15 -4.755 -10.460 -18.896 1.00 71.20 O ATOM 120 CB PRO A 15 -1.929 -11.224 -17.858 1.00 2.32 C ATOM 121 CG PRO A 15 -2.658 -11.736 -16.664 1.00 74.44 C ATOM 122 CD PRO A 15 -3.003 -10.528 -15.839 1.00 10.31 C ATOM 0 HA PRO A 15 -1.859 -9.127 -18.550 1.00 61.33 H new ATOM 0 HB2 PRO A 15 -2.042 -11.896 -18.709 1.00 2.32 H new ATOM 0 HB3 PRO A 15 -0.861 -11.135 -17.662 1.00 2.32 H new ATOM 0 HG2 PRO A 15 -3.557 -12.277 -16.958 1.00 74.44 H new ATOM 0 HG3 PRO A 15 -2.039 -12.431 -16.097 1.00 74.44 H new ATOM 0 HD2 PRO A 15 -3.949 -10.657 -15.314 1.00 10.31 H new ATOM 0 HD3 PRO A 15 -2.244 -10.327 -15.083 1.00 10.31 H new ATOM 130 N ALA A 16 -3.358 -9.557 -20.411 1.00 14.01 N ATOM 131 CA ALA A 16 -4.322 -9.626 -21.502 1.00 41.24 C ATOM 132 C ALA A 16 -4.169 -10.924 -22.288 1.00 53.43 C ATOM 133 O ALA A 16 -4.127 -10.915 -23.519 1.00 3.14 O ATOM 134 CB ALA A 16 -4.161 -8.426 -22.425 1.00 33.25 C ATOM 0 H ALA A 16 -2.455 -9.159 -20.670 1.00 14.01 H new ATOM 0 HA ALA A 16 -5.323 -9.608 -21.071 1.00 41.24 H new ATOM 0 HB1 ALA A 16 -4.887 -8.490 -23.235 1.00 33.25 H new ATOM 0 HB2 ALA A 16 -4.327 -7.508 -21.861 1.00 33.25 H new ATOM 0 HB3 ALA A 16 -3.153 -8.419 -22.840 1.00 33.25 H new ATOM 170 N GLY A 20 -6.751 -14.097 -18.429 1.00 63.43 N ATOM 171 CA GLY A 20 -6.370 -12.833 -17.826 1.00 74.42 C ATOM 172 C GLY A 20 -6.702 -12.773 -16.348 1.00 60.13 C ATOM 173 O GLY A 20 -7.784 -12.329 -15.966 1.00 13.13 O ATOM 0 HA2 GLY A 20 -5.300 -12.677 -17.962 1.00 74.42 H new ATOM 0 HA3 GLY A 20 -6.879 -12.019 -18.343 1.00 74.42 H new ATOM 177 N SER A 21 -5.769 -13.223 -15.515 1.00 41.33 N ATOM 178 CA SER A 21 -5.970 -13.223 -14.071 1.00 23.11 C ATOM 179 C SER A 21 -5.083 -12.179 -13.399 1.00 30.21 C ATOM 180 O SER A 21 -3.869 -12.137 -13.599 1.00 21.22 O ATOM 181 CB SER A 21 -5.673 -14.609 -13.494 1.00 1.41 C ATOM 182 OG SER A 21 -4.548 -15.194 -14.126 1.00 72.24 O ATOM 0 H SER A 21 -4.867 -13.592 -15.815 1.00 41.33 H new ATOM 0 HA SER A 21 -7.012 -12.970 -13.874 1.00 23.11 H new ATOM 0 HB2 SER A 21 -5.491 -14.529 -12.422 1.00 1.41 H new ATOM 0 HB3 SER A 21 -6.542 -15.254 -13.622 1.00 1.41 H new ATOM 0 HG SER A 21 -4.378 -16.078 -13.738 1.00 72.24 H new ATOM 188 N PRO A 22 -5.703 -11.315 -12.582 1.00 12.02 N ATOM 189 CA PRO A 22 -4.990 -10.255 -11.863 1.00 15.14 C ATOM 190 C PRO A 22 -4.093 -10.805 -10.760 1.00 21.14 C ATOM 191 O PRO A 22 -4.523 -11.622 -9.944 1.00 74.03 O ATOM 192 CB PRO A 22 -6.119 -9.412 -11.263 1.00 71.41 C ATOM 193 CG PRO A 22 -7.269 -10.351 -11.142 1.00 34.33 C ATOM 194 CD PRO A 22 -7.148 -11.306 -12.297 1.00 22.53 C ATOM 0 HA PRO A 22 -4.323 -9.695 -12.519 1.00 15.14 H new ATOM 0 HB2 PRO A 22 -5.836 -9.005 -10.292 1.00 71.41 H new ATOM 0 HB3 PRO A 22 -6.365 -8.565 -11.904 1.00 71.41 H new ATOM 0 HG2 PRO A 22 -7.240 -10.883 -10.191 1.00 34.33 H new ATOM 0 HG3 PRO A 22 -8.217 -9.814 -11.178 1.00 34.33 H new ATOM 0 HD2 PRO A 22 -7.512 -12.300 -12.037 1.00 22.53 H new ATOM 0 HD3 PRO A 22 -7.725 -10.970 -13.158 1.00 22.53 H new ATOM 202 N LEU A 23 -2.844 -10.353 -10.739 1.00 10.21 N ATOM 203 CA LEU A 23 -1.885 -10.800 -9.735 1.00 1.34 C ATOM 204 C LEU A 23 -1.462 -9.644 -8.834 1.00 22.05 C ATOM 205 O LEU A 23 -1.148 -8.555 -9.312 1.00 42.21 O ATOM 206 CB LEU A 23 -0.656 -11.411 -10.411 1.00 13.35 C ATOM 207 CG LEU A 23 -0.452 -12.912 -10.202 1.00 11.34 C ATOM 208 CD1 LEU A 23 -0.081 -13.204 -8.756 1.00 43.31 C ATOM 209 CD2 LEU A 23 -1.704 -13.680 -10.598 1.00 70.53 C ATOM 0 H LEU A 23 -2.472 -9.677 -11.406 1.00 10.21 H new ATOM 0 HA LEU A 23 -2.368 -11.559 -9.119 1.00 1.34 H new ATOM 0 HB2 LEU A 23 -0.722 -11.219 -11.482 1.00 13.35 H new ATOM 0 HB3 LEU A 23 0.230 -10.890 -10.048 1.00 13.35 H new ATOM 0 HG LEU A 23 0.369 -13.240 -10.840 1.00 11.34 H new ATOM 0 HD11 LEU A 23 0.060 -14.277 -8.626 1.00 43.31 H new ATOM 0 HD12 LEU A 23 0.843 -12.683 -8.505 1.00 43.31 H new ATOM 0 HD13 LEU A 23 -0.880 -12.861 -8.099 1.00 43.31 H new ATOM 0 HD21 LEU A 23 -1.541 -14.747 -10.443 1.00 70.53 H new ATOM 0 HD22 LEU A 23 -2.543 -13.348 -9.986 1.00 70.53 H new ATOM 0 HD23 LEU A 23 -1.926 -13.496 -11.649 1.00 70.53 H new ATOM 221 N GLU A 24 -1.454 -9.891 -7.527 1.00 51.13 N ATOM 222 CA GLU A 24 -1.068 -8.870 -6.560 1.00 23.50 C ATOM 223 C GLU A 24 0.431 -8.927 -6.279 1.00 42.43 C ATOM 224 O GLU A 24 0.984 -9.993 -6.007 1.00 31.21 O ATOM 225 CB GLU A 24 -1.849 -9.050 -5.257 1.00 2.24 C ATOM 226 CG GLU A 24 -3.348 -8.858 -5.414 1.00 61.21 C ATOM 227 CD GLU A 24 -4.097 -10.173 -5.513 1.00 1.14 C ATOM 228 OE1 GLU A 24 -3.870 -11.050 -4.653 1.00 15.14 O ATOM 229 OE2 GLU A 24 -4.909 -10.325 -6.449 1.00 22.20 O ATOM 0 H GLU A 24 -1.710 -10.788 -7.114 1.00 51.13 H new ATOM 0 HA GLU A 24 -1.304 -7.895 -6.985 1.00 23.50 H new ATOM 0 HB2 GLU A 24 -1.658 -10.049 -4.864 1.00 2.24 H new ATOM 0 HB3 GLU A 24 -1.476 -8.340 -4.519 1.00 2.24 H new ATOM 0 HG2 GLU A 24 -3.729 -8.290 -4.565 1.00 61.21 H new ATOM 0 HG3 GLU A 24 -3.543 -8.265 -6.307 1.00 61.21 H new ATOM 236 N LEU A 25 1.084 -7.771 -6.348 1.00 74.52 N ATOM 237 CA LEU A 25 2.519 -7.688 -6.102 1.00 41.42 C ATOM 238 C LEU A 25 2.870 -6.403 -5.358 1.00 71.11 C ATOM 239 O LEU A 25 2.110 -5.435 -5.380 1.00 65.22 O ATOM 240 CB LEU A 25 3.287 -7.751 -7.423 1.00 64.24 C ATOM 241 CG LEU A 25 3.920 -9.100 -7.768 1.00 21.14 C ATOM 242 CD1 LEU A 25 3.041 -9.869 -8.741 1.00 73.14 C ATOM 243 CD2 LEU A 25 5.314 -8.903 -8.346 1.00 31.32 C ATOM 0 H LEU A 25 0.642 -6.879 -6.572 1.00 74.52 H new ATOM 0 HA LEU A 25 2.806 -8.536 -5.481 1.00 41.42 H new ATOM 0 HB2 LEU A 25 2.607 -7.475 -8.229 1.00 64.24 H new ATOM 0 HB3 LEU A 25 4.075 -6.998 -7.398 1.00 64.24 H new ATOM 0 HG LEU A 25 4.008 -9.683 -6.851 1.00 21.14 H new ATOM 0 HD11 LEU A 25 3.508 -10.826 -8.975 1.00 73.14 H new ATOM 0 HD12 LEU A 25 2.064 -10.042 -8.290 1.00 73.14 H new ATOM 0 HD13 LEU A 25 2.920 -9.291 -9.657 1.00 73.14 H new ATOM 0 HD21 LEU A 25 5.749 -9.873 -8.586 1.00 31.32 H new ATOM 0 HD22 LEU A 25 5.250 -8.300 -9.252 1.00 31.32 H new ATOM 0 HD23 LEU A 25 5.942 -8.394 -7.615 1.00 31.32 H new ATOM 255 N GLU A 26 4.026 -6.402 -4.702 1.00 21.20 N ATOM 256 CA GLU A 26 4.477 -5.236 -3.953 1.00 4.44 C ATOM 257 C GLU A 26 5.623 -4.534 -4.676 1.00 51.25 C ATOM 258 O GLU A 26 6.740 -5.047 -4.738 1.00 4.53 O ATOM 259 CB GLU A 26 4.923 -5.646 -2.547 1.00 53.53 C ATOM 260 CG GLU A 26 5.820 -6.871 -2.527 1.00 24.35 C ATOM 261 CD GLU A 26 6.238 -7.265 -1.123 1.00 1.21 C ATOM 262 OE1 GLU A 26 5.435 -7.920 -0.426 1.00 64.12 O ATOM 263 OE2 GLU A 26 7.369 -6.917 -0.722 1.00 34.23 O ATOM 0 H GLU A 26 4.667 -7.195 -4.674 1.00 21.20 H new ATOM 0 HA GLU A 26 3.640 -4.542 -3.874 1.00 4.44 H new ATOM 0 HB2 GLU A 26 5.451 -4.812 -2.085 1.00 53.53 H new ATOM 0 HB3 GLU A 26 4.041 -5.842 -1.938 1.00 53.53 H new ATOM 0 HG2 GLU A 26 5.299 -7.706 -2.995 1.00 24.35 H new ATOM 0 HG3 GLU A 26 6.710 -6.675 -3.126 1.00 24.35 H new ATOM 270 N VAL A 27 5.336 -3.357 -5.224 1.00 62.15 N ATOM 271 CA VAL A 27 6.341 -2.584 -5.944 1.00 1.40 C ATOM 272 C VAL A 27 6.213 -1.096 -5.637 1.00 2.21 C ATOM 273 O VAL A 27 5.221 -0.654 -5.057 1.00 64.33 O ATOM 274 CB VAL A 27 6.228 -2.794 -7.466 1.00 20.14 C ATOM 275 CG1 VAL A 27 6.761 -4.164 -7.856 1.00 73.33 C ATOM 276 CG2 VAL A 27 4.787 -2.624 -7.921 1.00 14.31 C ATOM 0 H VAL A 27 4.416 -2.918 -5.183 1.00 62.15 H new ATOM 0 HA VAL A 27 7.315 -2.940 -5.607 1.00 1.40 H new ATOM 0 HB VAL A 27 6.834 -2.039 -7.966 1.00 20.14 H new ATOM 0 HG11 VAL A 27 6.673 -4.295 -8.935 1.00 73.33 H new ATOM 0 HG12 VAL A 27 7.808 -4.243 -7.565 1.00 73.33 H new ATOM 0 HG13 VAL A 27 6.184 -4.937 -7.349 1.00 73.33 H new ATOM 0 HG21 VAL A 27 4.725 -2.776 -8.999 1.00 14.31 H new ATOM 0 HG22 VAL A 27 4.157 -3.355 -7.415 1.00 14.31 H new ATOM 0 HG23 VAL A 27 4.444 -1.619 -7.676 1.00 14.31 H new ATOM 286 N ALA A 28 7.223 -0.327 -6.030 1.00 65.11 N ATOM 287 CA ALA A 28 7.223 1.112 -5.799 1.00 41.13 C ATOM 288 C ALA A 28 7.326 1.879 -7.113 1.00 72.14 C ATOM 289 O ALA A 28 8.332 1.815 -7.820 1.00 40.30 O ATOM 290 CB ALA A 28 8.365 1.498 -4.870 1.00 74.12 C ATOM 0 H ALA A 28 8.052 -0.677 -6.510 1.00 65.11 H new ATOM 0 HA ALA A 28 6.278 1.379 -5.326 1.00 41.13 H new ATOM 0 HB1 ALA A 28 8.353 2.576 -4.706 1.00 74.12 H new ATOM 0 HB2 ALA A 28 8.247 0.985 -3.916 1.00 74.12 H new ATOM 0 HB3 ALA A 28 9.314 1.210 -5.322 1.00 74.12 H new ATOM 296 N PRO A 29 6.261 2.621 -7.451 1.00 51.12 N ATOM 297 CA PRO A 29 6.207 3.414 -8.683 1.00 4.32 C ATOM 298 C PRO A 29 7.152 4.611 -8.643 1.00 73.11 C ATOM 299 O PRO A 29 7.406 5.246 -9.665 1.00 44.42 O ATOM 300 CB PRO A 29 4.752 3.884 -8.739 1.00 75.23 C ATOM 301 CG PRO A 29 4.296 3.877 -7.321 1.00 10.11 C ATOM 302 CD PRO A 29 5.027 2.744 -6.656 1.00 63.45 C ATOM 0 HA PRO A 29 6.516 2.836 -9.554 1.00 4.32 H new ATOM 0 HB2 PRO A 29 4.674 4.880 -9.175 1.00 75.23 H new ATOM 0 HB3 PRO A 29 4.145 3.219 -9.353 1.00 75.23 H new ATOM 0 HG2 PRO A 29 4.521 4.826 -6.834 1.00 10.11 H new ATOM 0 HG3 PRO A 29 3.217 3.735 -7.259 1.00 10.11 H new ATOM 0 HD2 PRO A 29 5.243 2.964 -5.610 1.00 63.45 H new ATOM 0 HD3 PRO A 29 4.444 1.823 -6.674 1.00 63.45 H new ATOM 310 N ASN A 30 7.668 4.912 -7.456 1.00 45.02 N ATOM 311 CA ASN A 30 8.585 6.033 -7.284 1.00 2.11 C ATOM 312 C ASN A 30 10.020 5.614 -7.589 1.00 2.22 C ATOM 313 O ASN A 30 10.959 6.384 -7.385 1.00 32.52 O ATOM 314 CB ASN A 30 8.494 6.579 -5.858 1.00 14.34 C ATOM 315 CG ASN A 30 7.344 7.554 -5.684 1.00 64.52 C ATOM 316 OD1 ASN A 30 7.011 8.306 -6.600 1.00 35.04 O ATOM 317 ND2 ASN A 30 6.733 7.544 -4.505 1.00 64.32 N ATOM 0 H ASN A 30 7.467 4.396 -6.599 1.00 45.02 H new ATOM 0 HA ASN A 30 8.297 6.816 -7.985 1.00 2.11 H new ATOM 0 HB2 ASN A 30 8.372 5.750 -5.161 1.00 14.34 H new ATOM 0 HB3 ASN A 30 9.430 7.076 -5.602 1.00 14.34 H new ATOM 0 HD21 ASN A 30 5.953 8.177 -4.329 1.00 64.32 H new ATOM 0 HD22 ASN A 30 7.044 6.903 -3.775 1.00 64.32 H new ATOM 324 N ALA A 31 10.182 4.390 -8.079 1.00 72.41 N ATOM 325 CA ALA A 31 11.501 3.869 -8.415 1.00 3.12 C ATOM 326 C ALA A 31 11.739 3.906 -9.921 1.00 3.14 C ATOM 327 O ALA A 31 12.421 4.796 -10.431 1.00 32.02 O ATOM 328 CB ALA A 31 11.659 2.450 -7.888 1.00 54.34 C ATOM 0 H ALA A 31 9.415 3.740 -8.252 1.00 72.41 H new ATOM 0 HA ALA A 31 12.247 4.506 -7.940 1.00 3.12 H new ATOM 0 HB1 ALA A 31 12.649 2.074 -8.146 1.00 54.34 H new ATOM 0 HB2 ALA A 31 11.542 2.449 -6.804 1.00 54.34 H new ATOM 0 HB3 ALA A 31 10.899 1.809 -8.335 1.00 54.34 H new ATOM 334 N THR A 32 11.174 2.933 -10.629 1.00 13.34 N ATOM 335 CA THR A 32 11.326 2.854 -12.076 1.00 30.41 C ATOM 336 C THR A 32 10.202 2.037 -12.703 1.00 12.01 C ATOM 337 O THR A 32 9.761 1.034 -12.141 1.00 2.22 O ATOM 338 CB THR A 32 12.678 2.228 -12.465 1.00 25.51 C ATOM 339 OG1 THR A 32 13.518 2.117 -11.310 1.00 14.42 O ATOM 340 CG2 THR A 32 13.376 3.064 -13.527 1.00 63.41 C ATOM 0 H THR A 32 10.607 2.189 -10.223 1.00 13.34 H new ATOM 0 HA THR A 32 11.284 3.875 -12.454 1.00 30.41 H new ATOM 0 HB THR A 32 12.489 1.235 -12.873 1.00 25.51 H new ATOM 0 HG1 THR A 32 14.375 1.717 -11.566 1.00 14.42 H new ATOM 0 HG21 THR A 32 14.329 2.602 -13.786 1.00 63.41 H new ATOM 0 HG22 THR A 32 12.748 3.122 -14.416 1.00 63.41 H new ATOM 0 HG23 THR A 32 13.552 4.068 -13.142 1.00 63.41 H new ATOM 348 N VAL A 33 9.741 2.472 -13.872 1.00 3.05 N ATOM 349 CA VAL A 33 8.669 1.780 -14.576 1.00 70.23 C ATOM 350 C VAL A 33 9.145 0.436 -15.117 1.00 53.11 C ATOM 351 O VAL A 33 8.480 -0.585 -14.945 1.00 1.30 O ATOM 352 CB VAL A 33 8.125 2.627 -15.742 1.00 63.32 C ATOM 353 CG1 VAL A 33 7.071 1.853 -16.519 1.00 31.45 C ATOM 354 CG2 VAL A 33 7.561 3.942 -15.227 1.00 2.11 C ATOM 0 H VAL A 33 10.094 3.301 -14.351 1.00 3.05 H new ATOM 0 HA VAL A 33 7.870 1.615 -13.853 1.00 70.23 H new ATOM 0 HB VAL A 33 8.949 2.852 -16.420 1.00 63.32 H new ATOM 0 HG11 VAL A 33 6.699 2.468 -17.339 1.00 31.45 H new ATOM 0 HG12 VAL A 33 7.512 0.941 -16.921 1.00 31.45 H new ATOM 0 HG13 VAL A 33 6.246 1.595 -15.855 1.00 31.45 H new ATOM 0 HG21 VAL A 33 7.181 4.528 -16.064 1.00 2.11 H new ATOM 0 HG22 VAL A 33 6.750 3.741 -14.527 1.00 2.11 H new ATOM 0 HG23 VAL A 33 8.347 4.501 -14.720 1.00 2.11 H new ATOM 364 N GLY A 34 10.302 0.444 -15.772 1.00 54.15 N ATOM 365 CA GLY A 34 10.847 -0.780 -16.329 1.00 25.23 C ATOM 366 C GLY A 34 11.172 -1.807 -15.262 1.00 73.42 C ATOM 367 O GLY A 34 11.051 -3.010 -15.493 1.00 22.24 O ATOM 0 H GLY A 34 10.871 1.276 -15.927 1.00 54.15 H new ATOM 0 HA2 GLY A 34 10.132 -1.205 -17.033 1.00 25.23 H new ATOM 0 HA3 GLY A 34 11.750 -0.548 -16.893 1.00 25.23 H new ATOM 371 N ALA A 35 11.586 -1.333 -14.092 1.00 51.30 N ATOM 372 CA ALA A 35 11.928 -2.219 -12.986 1.00 42.53 C ATOM 373 C ALA A 35 10.699 -2.967 -12.482 1.00 22.21 C ATOM 374 O ALA A 35 10.747 -4.176 -12.253 1.00 12.24 O ATOM 375 CB ALA A 35 12.568 -1.427 -11.855 1.00 31.51 C ATOM 0 H ALA A 35 11.693 -0.340 -13.885 1.00 51.30 H new ATOM 0 HA ALA A 35 12.644 -2.955 -13.350 1.00 42.53 H new ATOM 0 HB1 ALA A 35 12.818 -2.101 -11.035 1.00 31.51 H new ATOM 0 HB2 ALA A 35 13.475 -0.943 -12.217 1.00 31.51 H new ATOM 0 HB3 ALA A 35 11.869 -0.669 -11.501 1.00 31.51 H new ATOM 381 N VAL A 36 9.599 -2.241 -12.310 1.00 71.43 N ATOM 382 CA VAL A 36 8.357 -2.837 -11.833 1.00 74.32 C ATOM 383 C VAL A 36 7.786 -3.812 -12.857 1.00 70.11 C ATOM 384 O VAL A 36 7.375 -4.920 -12.512 1.00 61.24 O ATOM 385 CB VAL A 36 7.301 -1.760 -11.522 1.00 73.11 C ATOM 386 CG1 VAL A 36 6.007 -2.402 -11.044 1.00 24.34 C ATOM 387 CG2 VAL A 36 7.831 -0.777 -10.489 1.00 62.05 C ATOM 0 H VAL A 36 9.543 -1.239 -12.494 1.00 71.43 H new ATOM 0 HA VAL A 36 8.596 -3.376 -10.916 1.00 74.32 H new ATOM 0 HB VAL A 36 7.088 -1.210 -12.439 1.00 73.11 H new ATOM 0 HG11 VAL A 36 5.273 -1.625 -10.829 1.00 24.34 H new ATOM 0 HG12 VAL A 36 5.620 -3.062 -11.820 1.00 24.34 H new ATOM 0 HG13 VAL A 36 6.200 -2.979 -10.140 1.00 24.34 H new ATOM 0 HG21 VAL A 36 7.072 -0.023 -10.281 1.00 62.05 H new ATOM 0 HG22 VAL A 36 8.074 -1.311 -9.570 1.00 62.05 H new ATOM 0 HG23 VAL A 36 8.728 -0.292 -10.875 1.00 62.05 H new ATOM 397 N ARG A 37 7.764 -3.392 -14.118 1.00 1.12 N ATOM 398 CA ARG A 37 7.243 -4.228 -15.193 1.00 10.33 C ATOM 399 C ARG A 37 8.053 -5.514 -15.323 1.00 22.24 C ATOM 400 O ARG A 37 7.495 -6.597 -15.504 1.00 24.11 O ATOM 401 CB ARG A 37 7.264 -3.463 -16.518 1.00 32.24 C ATOM 402 CG ARG A 37 6.720 -4.262 -17.690 1.00 75.34 C ATOM 403 CD ARG A 37 7.837 -4.928 -18.478 1.00 24.14 C ATOM 404 NE ARG A 37 8.709 -3.951 -19.124 1.00 51.41 N ATOM 405 CZ ARG A 37 8.411 -3.343 -20.267 1.00 70.12 C ATOM 406 NH1 ARG A 37 7.270 -3.611 -20.886 1.00 55.22 N ATOM 407 NH2 ARG A 37 9.256 -2.465 -20.793 1.00 74.10 N ATOM 0 H ARG A 37 8.101 -2.478 -14.420 1.00 1.12 H new ATOM 0 HA ARG A 37 6.214 -4.491 -14.949 1.00 10.33 H new ATOM 0 HB2 ARG A 37 6.680 -2.549 -16.410 1.00 32.24 H new ATOM 0 HB3 ARG A 37 8.288 -3.162 -16.738 1.00 32.24 H new ATOM 0 HG2 ARG A 37 6.029 -5.021 -17.324 1.00 75.34 H new ATOM 0 HG3 ARG A 37 6.152 -3.604 -18.348 1.00 75.34 H new ATOM 0 HD2 ARG A 37 8.428 -5.555 -17.810 1.00 24.14 H new ATOM 0 HD3 ARG A 37 7.406 -5.585 -19.234 1.00 24.14 H new ATOM 0 HE ARG A 37 9.595 -3.723 -18.673 1.00 51.41 H new ATOM 0 HH11 ARG A 37 6.618 -4.285 -20.485 1.00 55.22 H new ATOM 0 HH12 ARG A 37 7.044 -3.143 -21.763 1.00 55.22 H new ATOM 0 HH21 ARG A 37 10.135 -2.257 -20.320 1.00 74.10 H new ATOM 0 HH22 ARG A 37 9.026 -1.999 -21.671 1.00 74.10 H new ATOM 421 N THR A 38 9.373 -5.388 -15.229 1.00 64.12 N ATOM 422 CA THR A 38 10.261 -6.539 -15.338 1.00 33.11 C ATOM 423 C THR A 38 10.056 -7.503 -14.175 1.00 2.25 C ATOM 424 O THR A 38 10.055 -8.721 -14.356 1.00 52.51 O ATOM 425 CB THR A 38 11.739 -6.107 -15.378 1.00 73.31 C ATOM 426 OG1 THR A 38 11.962 -5.227 -16.485 1.00 12.41 O ATOM 427 CG2 THR A 38 12.653 -7.318 -15.494 1.00 41.52 C ATOM 0 H THR A 38 9.851 -4.500 -15.078 1.00 64.12 H new ATOM 0 HA THR A 38 10.013 -7.043 -16.272 1.00 33.11 H new ATOM 0 HB THR A 38 11.968 -5.586 -14.448 1.00 73.31 H new ATOM 0 HG1 THR A 38 11.627 -4.333 -16.265 1.00 12.41 H new ATOM 0 HG21 THR A 38 13.692 -6.989 -15.521 1.00 41.52 H new ATOM 0 HG22 THR A 38 12.501 -7.972 -14.635 1.00 41.52 H new ATOM 0 HG23 THR A 38 12.421 -7.862 -16.410 1.00 41.52 H new ATOM 435 N LYS A 39 9.883 -6.951 -12.979 1.00 13.45 N ATOM 436 CA LYS A 39 9.675 -7.761 -11.784 1.00 52.32 C ATOM 437 C LYS A 39 8.354 -8.519 -11.864 1.00 72.12 C ATOM 438 O LYS A 39 8.255 -9.663 -11.419 1.00 11.51 O ATOM 439 CB LYS A 39 9.693 -6.878 -10.534 1.00 43.34 C ATOM 440 CG LYS A 39 10.151 -7.606 -9.282 1.00 53.51 C ATOM 441 CD LYS A 39 11.491 -7.084 -8.792 1.00 41.12 C ATOM 442 CE LYS A 39 12.645 -7.684 -9.581 1.00 52.24 C ATOM 443 NZ LYS A 39 13.853 -6.814 -9.544 1.00 63.55 N ATOM 0 H LYS A 39 9.883 -5.945 -12.811 1.00 13.45 H new ATOM 0 HA LYS A 39 10.487 -8.486 -11.721 1.00 52.32 H new ATOM 0 HB2 LYS A 39 10.350 -6.027 -10.710 1.00 43.34 H new ATOM 0 HB3 LYS A 39 8.693 -6.479 -10.367 1.00 43.34 H new ATOM 0 HG2 LYS A 39 9.404 -7.487 -8.497 1.00 53.51 H new ATOM 0 HG3 LYS A 39 10.229 -8.673 -9.489 1.00 53.51 H new ATOM 0 HD2 LYS A 39 11.514 -5.998 -8.881 1.00 41.12 H new ATOM 0 HD3 LYS A 39 11.610 -7.320 -7.735 1.00 41.12 H new ATOM 0 HE2 LYS A 39 12.891 -8.665 -9.175 1.00 52.24 H new ATOM 0 HE3 LYS A 39 12.338 -7.835 -10.616 1.00 52.24 H new ATOM 0 HZ1 LYS A 39 14.617 -7.257 -10.093 1.00 63.55 H new ATOM 0 HZ2 LYS A 39 13.625 -5.886 -9.955 1.00 63.55 H new ATOM 0 HZ3 LYS A 39 14.162 -6.690 -8.559 1.00 63.55 H new ATOM 457 N VAL A 40 7.341 -7.876 -12.436 1.00 12.52 N ATOM 458 CA VAL A 40 6.026 -8.490 -12.577 1.00 23.54 C ATOM 459 C VAL A 40 6.061 -9.638 -13.579 1.00 62.42 C ATOM 460 O VAL A 40 5.591 -10.740 -13.293 1.00 61.33 O ATOM 461 CB VAL A 40 4.971 -7.463 -13.026 1.00 41.52 C ATOM 462 CG1 VAL A 40 3.617 -8.131 -13.205 1.00 74.13 C ATOM 463 CG2 VAL A 40 4.882 -6.319 -12.027 1.00 45.22 C ATOM 0 H VAL A 40 7.406 -6.929 -12.810 1.00 12.52 H new ATOM 0 HA VAL A 40 5.750 -8.876 -11.596 1.00 23.54 H new ATOM 0 HB VAL A 40 5.276 -7.052 -13.988 1.00 41.52 H new ATOM 0 HG11 VAL A 40 2.884 -7.389 -13.523 1.00 74.13 H new ATOM 0 HG12 VAL A 40 3.694 -8.912 -13.961 1.00 74.13 H new ATOM 0 HG13 VAL A 40 3.301 -8.572 -12.259 1.00 74.13 H new ATOM 0 HG21 VAL A 40 4.131 -5.602 -12.360 1.00 45.22 H new ATOM 0 HG22 VAL A 40 4.601 -6.711 -11.049 1.00 45.22 H new ATOM 0 HG23 VAL A 40 5.850 -5.823 -11.954 1.00 45.22 H new ATOM 473 N CYS A 41 6.621 -9.373 -14.754 1.00 61.32 N ATOM 474 CA CYS A 41 6.717 -10.385 -15.801 1.00 4.31 C ATOM 475 C CYS A 41 7.633 -11.526 -15.371 1.00 33.50 C ATOM 476 O CYS A 41 7.454 -12.670 -15.790 1.00 43.41 O ATOM 477 CB CYS A 41 7.236 -9.760 -17.097 1.00 11.42 C ATOM 478 SG CYS A 41 9.024 -9.493 -17.124 1.00 11.52 S ATOM 0 H CYS A 41 7.015 -8.467 -15.006 1.00 61.32 H new ATOM 0 HA CYS A 41 5.720 -10.789 -15.975 1.00 4.31 H new ATOM 0 HB2 CYS A 41 6.963 -10.404 -17.933 1.00 11.42 H new ATOM 0 HB3 CYS A 41 6.734 -8.805 -17.253 1.00 11.42 H new ATOM 0 HG CYS A 41 9.425 -9.124 -15.944 1.00 11.52 H new ATOM 484 N ALA A 42 8.614 -11.208 -14.533 1.00 42.24 N ATOM 485 CA ALA A 42 9.557 -12.207 -14.047 1.00 4.25 C ATOM 486 C ALA A 42 8.879 -13.182 -13.090 1.00 63.14 C ATOM 487 O ALA A 42 9.054 -14.395 -13.200 1.00 33.41 O ATOM 488 CB ALA A 42 10.737 -11.530 -13.364 1.00 63.35 C ATOM 0 H ALA A 42 8.776 -10.266 -14.177 1.00 42.24 H new ATOM 0 HA ALA A 42 9.922 -12.773 -14.904 1.00 4.25 H new ATOM 0 HB1 ALA A 42 11.434 -12.288 -13.006 1.00 63.35 H new ATOM 0 HB2 ALA A 42 11.244 -10.878 -14.075 1.00 63.35 H new ATOM 0 HB3 ALA A 42 10.379 -10.939 -12.521 1.00 63.35 H new ATOM 494 N MET A 43 8.106 -12.644 -12.153 1.00 43.30 N ATOM 495 CA MET A 43 7.402 -13.468 -11.178 1.00 13.22 C ATOM 496 C MET A 43 6.405 -14.394 -11.868 1.00 23.23 C ATOM 497 O MET A 43 6.109 -15.483 -11.374 1.00 42.31 O ATOM 498 CB MET A 43 6.675 -12.585 -10.162 1.00 4.54 C ATOM 499 CG MET A 43 6.711 -13.133 -8.744 1.00 61.14 C ATOM 500 SD MET A 43 8.165 -12.590 -7.826 1.00 35.12 S ATOM 501 CE MET A 43 8.522 -14.056 -6.860 1.00 40.25 C ATOM 0 H MET A 43 7.951 -11.641 -12.048 1.00 43.30 H new ATOM 0 HA MET A 43 8.139 -14.079 -10.657 1.00 13.22 H new ATOM 0 HB2 MET A 43 7.123 -11.591 -10.170 1.00 4.54 H new ATOM 0 HB3 MET A 43 5.636 -12.469 -10.472 1.00 4.54 H new ATOM 0 HG2 MET A 43 5.813 -12.817 -8.214 1.00 61.14 H new ATOM 0 HG3 MET A 43 6.694 -14.222 -8.779 1.00 61.14 H new ATOM 0 HE1 MET A 43 9.399 -13.877 -6.238 1.00 40.25 H new ATOM 0 HE2 MET A 43 7.668 -14.290 -6.225 1.00 40.25 H new ATOM 0 HE3 MET A 43 8.717 -14.894 -7.529 1.00 40.25 H new ATOM 511 N LYS A 44 5.890 -13.956 -13.011 1.00 45.34 N ATOM 512 CA LYS A 44 4.928 -14.745 -13.770 1.00 71.33 C ATOM 513 C LYS A 44 5.632 -15.604 -14.816 1.00 24.24 C ATOM 514 O LYS A 44 5.014 -16.456 -15.454 1.00 54.21 O ATOM 515 CB LYS A 44 3.909 -13.829 -14.451 1.00 13.43 C ATOM 516 CG LYS A 44 3.286 -12.809 -13.513 1.00 3.04 C ATOM 517 CD LYS A 44 2.221 -13.440 -12.631 1.00 43.50 C ATOM 518 CE LYS A 44 2.813 -13.966 -11.332 1.00 52.13 C ATOM 519 NZ LYS A 44 2.458 -15.393 -11.100 1.00 31.34 N ATOM 0 H LYS A 44 6.123 -13.057 -13.433 1.00 45.34 H new ATOM 0 HA LYS A 44 4.408 -15.403 -13.074 1.00 71.33 H new ATOM 0 HB2 LYS A 44 4.397 -13.304 -15.273 1.00 13.43 H new ATOM 0 HB3 LYS A 44 3.118 -14.440 -14.887 1.00 13.43 H new ATOM 0 HG2 LYS A 44 4.062 -12.366 -12.888 1.00 3.04 H new ATOM 0 HG3 LYS A 44 2.845 -12.000 -14.095 1.00 3.04 H new ATOM 0 HD2 LYS A 44 1.449 -12.704 -12.408 1.00 43.50 H new ATOM 0 HD3 LYS A 44 1.738 -14.256 -13.169 1.00 43.50 H new ATOM 0 HE2 LYS A 44 3.898 -13.861 -11.358 1.00 52.13 H new ATOM 0 HE3 LYS A 44 2.454 -13.362 -10.498 1.00 52.13 H new ATOM 0 HZ1 LYS A 44 3.060 -15.782 -10.347 1.00 31.34 H new ATOM 0 HZ2 LYS A 44 1.460 -15.461 -10.815 1.00 31.34 H new ATOM 0 HZ3 LYS A 44 2.606 -15.934 -11.976 1.00 31.34 H new ATOM 533 N LYS A 45 6.930 -15.376 -14.985 1.00 24.22 N ATOM 534 CA LYS A 45 7.721 -16.131 -15.950 1.00 53.54 C ATOM 535 C LYS A 45 7.231 -15.875 -17.372 1.00 71.23 C ATOM 536 O LYS A 45 6.889 -16.809 -18.099 1.00 34.00 O ATOM 537 CB LYS A 45 7.653 -17.627 -15.637 1.00 64.05 C ATOM 538 CG LYS A 45 8.935 -18.375 -15.963 1.00 0.44 C ATOM 539 CD LYS A 45 9.113 -18.551 -17.461 1.00 40.43 C ATOM 540 CE LYS A 45 8.047 -19.465 -18.046 1.00 24.14 C ATOM 541 NZ LYS A 45 8.634 -20.715 -18.603 1.00 21.21 N ATOM 0 H LYS A 45 7.457 -14.674 -14.466 1.00 24.22 H new ATOM 0 HA LYS A 45 8.756 -15.798 -15.875 1.00 53.54 H new ATOM 0 HB2 LYS A 45 7.424 -17.758 -14.579 1.00 64.05 H new ATOM 0 HB3 LYS A 45 6.831 -18.070 -16.198 1.00 64.05 H new ATOM 0 HG2 LYS A 45 9.788 -17.832 -15.556 1.00 0.44 H new ATOM 0 HG3 LYS A 45 8.920 -19.352 -15.480 1.00 0.44 H new ATOM 0 HD2 LYS A 45 9.068 -17.578 -17.950 1.00 40.43 H new ATOM 0 HD3 LYS A 45 10.100 -18.965 -17.665 1.00 40.43 H new ATOM 0 HE2 LYS A 45 7.321 -19.718 -17.273 1.00 24.14 H new ATOM 0 HE3 LYS A 45 7.506 -18.936 -18.831 1.00 24.14 H new ATOM 0 HZ1 LYS A 45 7.876 -21.311 -18.992 1.00 21.21 H new ATOM 0 HZ2 LYS A 45 9.308 -20.476 -19.358 1.00 21.21 H new ATOM 0 HZ3 LYS A 45 9.129 -21.232 -17.849 1.00 21.21 H new ATOM 555 N LEU A 46 7.201 -14.606 -17.764 1.00 22.22 N ATOM 556 CA LEU A 46 6.755 -14.228 -19.100 1.00 73.12 C ATOM 557 C LEU A 46 7.927 -13.752 -19.952 1.00 23.42 C ATOM 558 O LEU A 46 8.982 -13.372 -19.443 1.00 21.41 O ATOM 559 CB LEU A 46 5.694 -13.129 -19.013 1.00 70.42 C ATOM 560 CG LEU A 46 4.253 -13.602 -18.820 1.00 14.32 C ATOM 561 CD1 LEU A 46 3.569 -12.795 -17.727 1.00 33.22 C ATOM 562 CD2 LEU A 46 3.478 -13.499 -20.125 1.00 52.44 C ATOM 0 H LEU A 46 7.480 -13.821 -17.175 1.00 22.22 H new ATOM 0 HA LEU A 46 6.320 -15.108 -19.573 1.00 73.12 H new ATOM 0 HB2 LEU A 46 5.952 -12.467 -18.186 1.00 70.42 H new ATOM 0 HB3 LEU A 46 5.741 -12.533 -19.925 1.00 70.42 H new ATOM 0 HG LEU A 46 4.272 -14.648 -18.514 1.00 14.32 H new ATOM 0 HD11 LEU A 46 2.544 -13.145 -17.603 1.00 33.22 H new ATOM 0 HD12 LEU A 46 4.111 -12.920 -16.789 1.00 33.22 H new ATOM 0 HD13 LEU A 46 3.561 -11.741 -18.004 1.00 33.22 H new ATOM 0 HD21 LEU A 46 2.455 -13.840 -19.968 1.00 52.44 H new ATOM 0 HD22 LEU A 46 3.468 -12.462 -20.461 1.00 52.44 H new ATOM 0 HD23 LEU A 46 3.956 -14.121 -20.882 1.00 52.44 H new ATOM 574 N PRO A 47 7.740 -13.771 -21.280 1.00 4.11 N ATOM 575 CA PRO A 47 8.771 -13.342 -22.230 1.00 53.13 C ATOM 576 C PRO A 47 9.009 -11.837 -22.186 1.00 44.53 C ATOM 577 O PRO A 47 8.155 -11.037 -22.568 1.00 52.20 O ATOM 578 CB PRO A 47 8.194 -13.752 -23.588 1.00 22.54 C ATOM 579 CG PRO A 47 6.719 -13.778 -23.380 1.00 62.45 C ATOM 580 CD PRO A 47 6.509 -14.211 -21.956 1.00 34.41 C ATOM 0 HA PRO A 47 9.740 -13.790 -22.010 1.00 53.13 H new ATOM 0 HB2 PRO A 47 8.472 -13.042 -24.367 1.00 22.54 H new ATOM 0 HB3 PRO A 47 8.567 -14.728 -23.899 1.00 22.54 H new ATOM 0 HG2 PRO A 47 6.283 -12.795 -23.557 1.00 62.45 H new ATOM 0 HG3 PRO A 47 6.239 -14.469 -24.073 1.00 62.45 H new ATOM 0 HD2 PRO A 47 5.624 -13.746 -21.521 1.00 34.41 H new ATOM 0 HD3 PRO A 47 6.373 -15.290 -21.880 1.00 34.41 H new ATOM 588 N PRO A 48 10.199 -11.439 -21.710 1.00 53.23 N ATOM 589 CA PRO A 48 10.578 -10.027 -21.606 1.00 55.53 C ATOM 590 C PRO A 48 10.799 -9.384 -22.971 1.00 53.42 C ATOM 591 O PRO A 48 10.650 -8.172 -23.128 1.00 41.44 O ATOM 592 CB PRO A 48 11.888 -10.068 -20.816 1.00 71.01 C ATOM 593 CG PRO A 48 12.449 -11.422 -21.083 1.00 74.22 C ATOM 594 CD PRO A 48 11.265 -12.337 -21.238 1.00 24.24 C ATOM 0 HA PRO A 48 9.798 -9.430 -21.133 1.00 55.53 H new ATOM 0 HB2 PRO A 48 12.572 -9.285 -21.143 1.00 71.01 H new ATOM 0 HB3 PRO A 48 11.713 -9.915 -19.751 1.00 71.01 H new ATOM 0 HG2 PRO A 48 13.061 -11.420 -21.985 1.00 74.22 H new ATOM 0 HG3 PRO A 48 13.089 -11.748 -20.263 1.00 74.22 H new ATOM 0 HD2 PRO A 48 11.465 -13.135 -21.954 1.00 24.24 H new ATOM 0 HD3 PRO A 48 11.000 -12.814 -20.295 1.00 24.24 H new ATOM 602 N ASP A 49 11.154 -10.202 -23.955 1.00 72.50 N ATOM 603 CA ASP A 49 11.394 -9.713 -25.308 1.00 30.42 C ATOM 604 C ASP A 49 10.102 -9.204 -25.939 1.00 32.41 C ATOM 605 O ASP A 49 10.090 -8.171 -26.608 1.00 14.50 O ATOM 606 CB ASP A 49 11.998 -10.820 -26.174 1.00 35.45 C ATOM 607 CG ASP A 49 13.461 -11.065 -25.863 1.00 61.20 C ATOM 608 OD1 ASP A 49 13.884 -10.769 -24.726 1.00 23.12 O ATOM 609 OD2 ASP A 49 14.183 -11.554 -26.757 1.00 1.31 O ATOM 0 H ASP A 49 11.282 -11.208 -23.841 1.00 72.50 H new ATOM 0 HA ASP A 49 12.099 -8.884 -25.248 1.00 30.42 H new ATOM 0 HB2 ASP A 49 11.438 -11.743 -26.022 1.00 35.45 H new ATOM 0 HB3 ASP A 49 11.893 -10.553 -27.226 1.00 35.45 H new ATOM 614 N THR A 50 9.014 -9.938 -25.723 1.00 23.13 N ATOM 615 CA THR A 50 7.718 -9.563 -26.272 1.00 14.22 C ATOM 616 C THR A 50 6.730 -9.216 -25.163 1.00 65.21 C ATOM 617 O THR A 50 5.744 -9.923 -24.952 1.00 2.13 O ATOM 618 CB THR A 50 7.125 -10.692 -27.136 1.00 45.23 C ATOM 619 OG1 THR A 50 5.781 -10.370 -27.509 1.00 11.21 O ATOM 620 CG2 THR A 50 7.146 -12.015 -26.386 1.00 62.24 C ATOM 0 H THR A 50 9.006 -10.796 -25.171 1.00 23.13 H new ATOM 0 HA THR A 50 7.883 -8.685 -26.897 1.00 14.22 H new ATOM 0 HB THR A 50 7.736 -10.792 -28.033 1.00 45.23 H new ATOM 0 HG1 THR A 50 5.212 -11.159 -27.394 1.00 11.21 H new ATOM 0 HG21 THR A 50 6.722 -12.797 -27.016 1.00 62.24 H new ATOM 0 HG22 THR A 50 8.174 -12.272 -26.130 1.00 62.24 H new ATOM 0 HG23 THR A 50 6.557 -11.925 -25.473 1.00 62.24 H new ATOM 628 N THR A 51 7.001 -8.123 -24.456 1.00 70.15 N ATOM 629 CA THR A 51 6.137 -7.683 -23.369 1.00 13.23 C ATOM 630 C THR A 51 6.017 -6.163 -23.342 1.00 61.40 C ATOM 631 O THR A 51 6.997 -5.450 -23.559 1.00 72.35 O ATOM 632 CB THR A 51 6.659 -8.169 -22.004 1.00 25.32 C ATOM 633 OG1 THR A 51 5.677 -7.932 -20.990 1.00 13.31 O ATOM 634 CG2 THR A 51 7.955 -7.462 -21.637 1.00 41.41 C ATOM 0 H THR A 51 7.813 -7.527 -24.617 1.00 70.15 H new ATOM 0 HA THR A 51 5.155 -8.119 -23.551 1.00 13.23 H new ATOM 0 HB THR A 51 6.855 -9.239 -22.076 1.00 25.32 H new ATOM 0 HG1 THR A 51 6.017 -8.246 -20.126 1.00 13.31 H new ATOM 0 HG21 THR A 51 8.304 -7.822 -20.669 1.00 41.41 H new ATOM 0 HG22 THR A 51 8.710 -7.670 -22.395 1.00 41.41 H new ATOM 0 HG23 THR A 51 7.781 -6.387 -21.583 1.00 41.41 H new ATOM 642 N ARG A 52 4.811 -5.674 -23.074 1.00 30.15 N ATOM 643 CA ARG A 52 4.564 -4.238 -23.019 1.00 33.30 C ATOM 644 C ARG A 52 3.601 -3.895 -21.886 1.00 20.10 C ATOM 645 O ARG A 52 2.581 -4.560 -21.701 1.00 54.20 O ATOM 646 CB ARG A 52 3.996 -3.746 -24.352 1.00 22.05 C ATOM 647 CG ARG A 52 4.726 -4.298 -25.565 1.00 50.43 C ATOM 648 CD ARG A 52 4.751 -3.291 -26.705 1.00 64.20 C ATOM 649 NE ARG A 52 5.729 -3.649 -27.730 1.00 33.04 N ATOM 650 CZ ARG A 52 6.097 -2.833 -28.711 1.00 72.10 C ATOM 651 NH1 ARG A 52 5.572 -1.619 -28.800 1.00 51.21 N ATOM 652 NH2 ARG A 52 6.992 -3.231 -29.606 1.00 23.13 N ATOM 0 H ARG A 52 3.990 -6.251 -22.892 1.00 30.15 H new ATOM 0 HA ARG A 52 5.514 -3.738 -22.829 1.00 33.30 H new ATOM 0 HB2 ARG A 52 2.944 -4.024 -24.414 1.00 22.05 H new ATOM 0 HB3 ARG A 52 4.040 -2.657 -24.376 1.00 22.05 H new ATOM 0 HG2 ARG A 52 5.747 -4.562 -25.288 1.00 50.43 H new ATOM 0 HG3 ARG A 52 4.239 -5.215 -25.898 1.00 50.43 H new ATOM 0 HD2 ARG A 52 3.760 -3.228 -27.155 1.00 64.20 H new ATOM 0 HD3 ARG A 52 4.985 -2.302 -26.310 1.00 64.20 H new ATOM 0 HE ARG A 52 6.152 -4.576 -27.690 1.00 33.04 H new ATOM 0 HH11 ARG A 52 4.884 -1.310 -28.114 1.00 51.21 H new ATOM 0 HH12 ARG A 52 5.857 -0.994 -29.555 1.00 51.21 H new ATOM 0 HH21 ARG A 52 7.398 -4.164 -29.541 1.00 23.13 H new ATOM 0 HH22 ARG A 52 7.274 -2.604 -30.359 1.00 23.13 H new ATOM 666 N LEU A 53 3.932 -2.854 -21.130 1.00 64.21 N ATOM 667 CA LEU A 53 3.098 -2.422 -20.014 1.00 72.33 C ATOM 668 C LEU A 53 2.469 -1.062 -20.299 1.00 42.01 C ATOM 669 O LEU A 53 3.142 -0.138 -20.757 1.00 4.22 O ATOM 670 CB LEU A 53 3.925 -2.356 -18.729 1.00 54.31 C ATOM 671 CG LEU A 53 3.393 -1.428 -17.636 1.00 34.41 C ATOM 672 CD1 LEU A 53 2.013 -1.878 -17.180 1.00 1.44 C ATOM 673 CD2 LEU A 53 4.357 -1.383 -16.459 1.00 52.45 C ATOM 0 H LEU A 53 4.772 -2.293 -21.270 1.00 64.21 H new ATOM 0 HA LEU A 53 2.298 -3.152 -19.886 1.00 72.33 H new ATOM 0 HB2 LEU A 53 4.002 -3.363 -18.318 1.00 54.31 H new ATOM 0 HB3 LEU A 53 4.936 -2.039 -18.987 1.00 54.31 H new ATOM 0 HG LEU A 53 3.308 -0.423 -18.049 1.00 34.41 H new ATOM 0 HD11 LEU A 53 1.650 -1.206 -16.402 1.00 1.44 H new ATOM 0 HD12 LEU A 53 1.326 -1.859 -18.026 1.00 1.44 H new ATOM 0 HD13 LEU A 53 2.073 -2.892 -16.785 1.00 1.44 H new ATOM 0 HD21 LEU A 53 3.962 -0.718 -15.691 1.00 52.45 H new ATOM 0 HD22 LEU A 53 4.474 -2.385 -16.046 1.00 52.45 H new ATOM 0 HD23 LEU A 53 5.326 -1.014 -16.796 1.00 52.45 H new ATOM 685 N THR A 54 1.174 -0.945 -20.023 1.00 51.23 N ATOM 686 CA THR A 54 0.454 0.302 -20.249 1.00 3.45 C ATOM 687 C THR A 54 -0.286 0.745 -18.992 1.00 21.25 C ATOM 688 O THR A 54 -0.854 -0.077 -18.272 1.00 60.21 O ATOM 689 CB THR A 54 -0.555 0.168 -21.404 1.00 60.23 C ATOM 690 OG1 THR A 54 -0.798 -1.215 -21.684 1.00 33.44 O ATOM 691 CG2 THR A 54 -0.039 0.860 -22.657 1.00 1.12 C ATOM 0 H THR A 54 0.602 -1.699 -19.642 1.00 51.23 H new ATOM 0 HA THR A 54 1.199 1.053 -20.513 1.00 3.45 H new ATOM 0 HB THR A 54 -1.486 0.647 -21.101 1.00 60.23 H new ATOM 0 HG1 THR A 54 -1.442 -1.292 -22.419 1.00 33.44 H new ATOM 0 HG21 THR A 54 -0.769 0.752 -23.459 1.00 1.12 H new ATOM 0 HG22 THR A 54 0.118 1.919 -22.450 1.00 1.12 H new ATOM 0 HG23 THR A 54 0.904 0.406 -22.961 1.00 1.12 H new ATOM 699 N TYR A 55 -0.276 2.048 -18.733 1.00 33.32 N ATOM 700 CA TYR A 55 -0.946 2.599 -17.561 1.00 1.12 C ATOM 701 C TYR A 55 -1.780 3.821 -17.934 1.00 60.33 C ATOM 702 O TYR A 55 -1.285 4.758 -18.561 1.00 70.32 O ATOM 703 CB TYR A 55 0.081 2.976 -16.491 1.00 54.23 C ATOM 704 CG TYR A 55 -0.513 3.724 -15.319 1.00 32.10 C ATOM 705 CD1 TYR A 55 -1.567 3.188 -14.590 1.00 15.23 C ATOM 706 CD2 TYR A 55 -0.019 4.966 -14.940 1.00 51.10 C ATOM 707 CE1 TYR A 55 -2.113 3.868 -13.518 1.00 54.45 C ATOM 708 CE2 TYR A 55 -0.558 5.653 -13.869 1.00 61.22 C ATOM 709 CZ TYR A 55 -1.605 5.100 -13.162 1.00 12.10 C ATOM 710 OH TYR A 55 -2.145 5.780 -12.095 1.00 14.24 O ATOM 0 H TYR A 55 0.189 2.742 -19.319 1.00 33.32 H new ATOM 0 HA TYR A 55 -1.613 1.835 -17.162 1.00 1.12 H new ATOM 0 HB2 TYR A 55 0.563 2.069 -16.126 1.00 54.23 H new ATOM 0 HB3 TYR A 55 0.859 3.589 -16.946 1.00 54.23 H new ATOM 0 HD1 TYR A 55 -1.967 2.223 -14.866 1.00 15.23 H new ATOM 0 HD2 TYR A 55 0.800 5.402 -15.492 1.00 51.10 H new ATOM 0 HE1 TYR A 55 -2.933 3.437 -12.962 1.00 54.45 H new ATOM 0 HE2 TYR A 55 -0.162 6.617 -13.587 1.00 61.22 H new ATOM 0 HH TYR A 55 -1.798 5.405 -11.259 1.00 14.24 H new ATOM 720 N LYS A 56 -3.050 3.804 -17.544 1.00 21.31 N ATOM 721 CA LYS A 56 -3.955 4.909 -17.834 1.00 51.23 C ATOM 722 C LYS A 56 -4.011 5.187 -19.333 1.00 74.21 C ATOM 723 O LYS A 56 -4.170 6.331 -19.757 1.00 20.12 O ATOM 724 CB LYS A 56 -3.511 6.169 -17.088 1.00 5.01 C ATOM 725 CG LYS A 56 -4.665 7.037 -16.618 1.00 31.34 C ATOM 726 CD LYS A 56 -4.450 8.496 -16.982 1.00 54.13 C ATOM 727 CE LYS A 56 -5.352 8.922 -18.131 1.00 12.03 C ATOM 728 NZ LYS A 56 -4.672 9.882 -19.043 1.00 41.14 N ATOM 0 H LYS A 56 -3.476 3.036 -17.026 1.00 21.31 H new ATOM 0 HA LYS A 56 -4.952 4.627 -17.496 1.00 51.23 H new ATOM 0 HB2 LYS A 56 -2.912 5.878 -16.225 1.00 5.01 H new ATOM 0 HB3 LYS A 56 -2.866 6.758 -17.740 1.00 5.01 H new ATOM 0 HG2 LYS A 56 -5.594 6.683 -17.065 1.00 31.34 H new ATOM 0 HG3 LYS A 56 -4.775 6.943 -15.538 1.00 31.34 H new ATOM 0 HD2 LYS A 56 -4.647 9.122 -16.112 1.00 54.13 H new ATOM 0 HD3 LYS A 56 -3.407 8.653 -17.259 1.00 54.13 H new ATOM 0 HE2 LYS A 56 -5.662 8.042 -18.695 1.00 12.03 H new ATOM 0 HE3 LYS A 56 -6.257 9.379 -17.732 1.00 12.03 H new ATOM 0 HZ1 LYS A 56 -5.319 10.148 -19.812 1.00 41.14 H new ATOM 0 HZ2 LYS A 56 -4.399 10.733 -18.511 1.00 41.14 H new ATOM 0 HZ3 LYS A 56 -3.822 9.437 -19.444 1.00 41.14 H new ATOM 742 N GLY A 57 -3.882 4.131 -20.131 1.00 42.45 N ATOM 743 CA GLY A 57 -3.922 4.283 -21.574 1.00 51.12 C ATOM 744 C GLY A 57 -2.673 4.944 -22.123 1.00 14.53 C ATOM 745 O GLY A 57 -2.628 5.327 -23.292 1.00 61.51 O ATOM 0 H GLY A 57 -3.751 3.174 -19.804 1.00 42.45 H new ATOM 0 HA2 GLY A 57 -4.044 3.303 -22.036 1.00 51.12 H new ATOM 0 HA3 GLY A 57 -4.794 4.876 -21.850 1.00 51.12 H new ATOM 749 N ARG A 58 -1.658 5.082 -21.276 1.00 61.44 N ATOM 750 CA ARG A 58 -0.404 5.704 -21.682 1.00 43.25 C ATOM 751 C ARG A 58 0.779 4.783 -21.395 1.00 15.31 C ATOM 752 O ARG A 58 0.669 3.844 -20.607 1.00 42.23 O ATOM 753 CB ARG A 58 -0.213 7.038 -20.957 1.00 74.33 C ATOM 754 CG ARG A 58 0.532 8.077 -21.779 1.00 33.11 C ATOM 755 CD ARG A 58 0.188 9.490 -21.334 1.00 23.23 C ATOM 756 NE ARG A 58 1.073 10.484 -21.936 1.00 72.30 N ATOM 757 CZ ARG A 58 0.981 10.879 -23.201 1.00 61.40 C ATOM 758 NH1 ARG A 58 0.049 10.367 -23.993 1.00 32.12 N ATOM 759 NH2 ARG A 58 1.823 11.788 -23.676 1.00 72.32 N ATOM 0 H ARG A 58 -1.680 4.771 -20.305 1.00 61.44 H new ATOM 0 HA ARG A 58 -0.449 5.885 -22.756 1.00 43.25 H new ATOM 0 HB2 ARG A 58 -1.190 7.436 -20.683 1.00 74.33 H new ATOM 0 HB3 ARG A 58 0.331 6.863 -20.029 1.00 74.33 H new ATOM 0 HG2 ARG A 58 1.606 7.916 -21.684 1.00 33.11 H new ATOM 0 HG3 ARG A 58 0.283 7.955 -22.833 1.00 33.11 H new ATOM 0 HD2 ARG A 58 -0.844 9.714 -21.603 1.00 23.23 H new ATOM 0 HD3 ARG A 58 0.256 9.555 -20.248 1.00 23.23 H new ATOM 0 HE ARG A 58 1.801 10.897 -21.353 1.00 72.30 H new ATOM 0 HH11 ARG A 58 -0.600 9.668 -23.631 1.00 32.12 H new ATOM 0 HH12 ARG A 58 -0.019 10.672 -24.964 1.00 32.12 H new ATOM 0 HH21 ARG A 58 2.541 12.184 -23.070 1.00 72.32 H new ATOM 0 HH22 ARG A 58 1.752 12.091 -24.647 1.00 72.32 H new ATOM 773 N ALA A 59 1.907 5.059 -22.040 1.00 4.44 N ATOM 774 CA ALA A 59 3.110 4.257 -21.852 1.00 51.22 C ATOM 775 C ALA A 59 4.108 4.968 -20.945 1.00 45.53 C ATOM 776 O ALA A 59 4.296 6.182 -21.042 1.00 50.14 O ATOM 777 CB ALA A 59 3.748 3.940 -23.197 1.00 12.23 C ATOM 0 H ALA A 59 2.013 5.832 -22.697 1.00 4.44 H new ATOM 0 HA ALA A 59 2.823 3.323 -21.369 1.00 51.22 H new ATOM 0 HB1 ALA A 59 4.645 3.341 -23.042 1.00 12.23 H new ATOM 0 HB2 ALA A 59 3.042 3.383 -23.813 1.00 12.23 H new ATOM 0 HB3 ALA A 59 4.015 4.869 -23.701 1.00 12.23 H new ATOM 783 N LEU A 60 4.747 4.207 -20.064 1.00 34.22 N ATOM 784 CA LEU A 60 5.727 4.765 -19.138 1.00 75.31 C ATOM 785 C LEU A 60 7.046 4.004 -19.218 1.00 61.22 C ATOM 786 O LEU A 60 7.076 2.826 -19.577 1.00 12.33 O ATOM 787 CB LEU A 60 5.187 4.723 -17.707 1.00 51.54 C ATOM 788 CG LEU A 60 4.041 5.686 -17.394 1.00 52.13 C ATOM 789 CD1 LEU A 60 3.320 5.263 -16.124 1.00 21.31 C ATOM 790 CD2 LEU A 60 4.561 7.110 -17.265 1.00 52.43 C ATOM 0 H LEU A 60 4.604 3.201 -19.971 1.00 34.22 H new ATOM 0 HA LEU A 60 5.909 5.802 -19.421 1.00 75.31 H new ATOM 0 HB2 LEU A 60 4.850 3.708 -17.497 1.00 51.54 H new ATOM 0 HB3 LEU A 60 6.009 4.934 -17.023 1.00 51.54 H new ATOM 0 HG LEU A 60 3.329 5.654 -18.219 1.00 52.13 H new ATOM 0 HD11 LEU A 60 2.508 5.960 -15.917 1.00 21.31 H new ATOM 0 HD12 LEU A 60 2.913 4.260 -16.253 1.00 21.31 H new ATOM 0 HD13 LEU A 60 4.021 5.265 -15.290 1.00 21.31 H new ATOM 0 HD21 LEU A 60 3.732 7.781 -17.042 1.00 52.43 H new ATOM 0 HD22 LEU A 60 5.293 7.158 -16.459 1.00 52.43 H new ATOM 0 HD23 LEU A 60 5.031 7.412 -18.201 1.00 52.43 H new ATOM 802 N LYS A 61 8.136 4.683 -18.880 1.00 5.50 N ATOM 803 CA LYS A 61 9.460 4.072 -18.910 1.00 12.04 C ATOM 804 C LYS A 61 10.518 5.040 -18.390 1.00 21.44 C ATOM 805 O LYS A 61 11.067 4.849 -17.304 1.00 51.31 O ATOM 806 CB LYS A 61 9.810 3.634 -20.333 1.00 71.35 C ATOM 807 CG LYS A 61 10.017 2.136 -20.475 1.00 70.32 C ATOM 808 CD LYS A 61 10.312 1.747 -21.914 1.00 54.13 C ATOM 809 CE LYS A 61 9.161 0.962 -22.526 1.00 45.13 C ATOM 810 NZ LYS A 61 9.563 0.285 -23.790 1.00 53.15 N ATOM 0 H LYS A 61 8.129 5.658 -18.582 1.00 5.50 H new ATOM 0 HA LYS A 61 9.443 3.197 -18.261 1.00 12.04 H new ATOM 0 HB2 LYS A 61 9.013 3.948 -21.007 1.00 71.35 H new ATOM 0 HB3 LYS A 61 10.717 4.149 -20.650 1.00 71.35 H new ATOM 0 HG2 LYS A 61 10.841 1.820 -19.836 1.00 70.32 H new ATOM 0 HG3 LYS A 61 9.126 1.611 -20.131 1.00 70.32 H new ATOM 0 HD2 LYS A 61 10.496 2.645 -22.504 1.00 54.13 H new ATOM 0 HD3 LYS A 61 11.222 1.149 -21.951 1.00 54.13 H new ATOM 0 HE2 LYS A 61 8.808 0.218 -21.812 1.00 45.13 H new ATOM 0 HE3 LYS A 61 8.327 1.635 -22.724 1.00 45.13 H new ATOM 0 HZ1 LYS A 61 8.752 -0.239 -24.176 1.00 53.15 H new ATOM 0 HZ2 LYS A 61 9.876 0.997 -24.481 1.00 53.15 H new ATOM 0 HZ3 LYS A 61 10.342 -0.376 -23.597 1.00 53.15 H new ATOM 824 N ASP A 62 10.798 6.078 -19.170 1.00 25.52 N ATOM 825 CA ASP A 62 11.789 7.077 -18.787 1.00 22.44 C ATOM 826 C ASP A 62 11.232 8.013 -17.719 1.00 53.34 C ATOM 827 O ASP A 62 11.944 8.872 -17.197 1.00 31.41 O ATOM 828 CB ASP A 62 12.232 7.882 -20.009 1.00 51.11 C ATOM 829 CG ASP A 62 13.698 8.265 -19.950 1.00 54.14 C ATOM 830 OD1 ASP A 62 14.542 7.357 -19.804 1.00 41.20 O ATOM 831 OD2 ASP A 62 14.000 9.473 -20.050 1.00 20.11 O ATOM 0 H ASP A 62 10.353 6.250 -20.071 1.00 25.52 H new ATOM 0 HA ASP A 62 12.653 6.556 -18.373 1.00 22.44 H new ATOM 0 HB2 ASP A 62 12.048 7.298 -20.911 1.00 51.11 H new ATOM 0 HB3 ASP A 62 11.626 8.785 -20.085 1.00 51.11 H new ATOM 836 N THR A 63 9.952 7.844 -17.400 1.00 63.21 N ATOM 837 CA THR A 63 9.298 8.675 -16.397 1.00 62.14 C ATOM 838 C THR A 63 10.036 8.612 -15.065 1.00 34.53 C ATOM 839 O THR A 63 9.878 9.489 -14.216 1.00 62.42 O ATOM 840 CB THR A 63 7.834 8.248 -16.182 1.00 21.42 C ATOM 841 OG1 THR A 63 7.550 7.069 -16.944 1.00 43.34 O ATOM 842 CG2 THR A 63 6.880 9.361 -16.586 1.00 42.52 C ATOM 0 H THR A 63 9.348 7.139 -17.822 1.00 63.21 H new ATOM 0 HA THR A 63 9.318 9.698 -16.772 1.00 62.14 H new ATOM 0 HB THR A 63 7.693 8.038 -15.122 1.00 21.42 H new ATOM 0 HG1 THR A 63 7.225 7.324 -17.833 1.00 43.34 H new ATOM 0 HG21 THR A 63 5.852 9.036 -16.425 1.00 42.52 H new ATOM 0 HG22 THR A 63 7.079 10.247 -15.983 1.00 42.52 H new ATOM 0 HG23 THR A 63 7.024 9.599 -17.640 1.00 42.52 H new ATOM 850 N GLU A 64 10.841 7.569 -14.888 1.00 60.32 N ATOM 851 CA GLU A 64 11.603 7.392 -13.657 1.00 54.43 C ATOM 852 C GLU A 64 10.675 7.106 -12.480 1.00 20.30 C ATOM 853 O GLU A 64 10.547 5.963 -12.039 1.00 1.14 O ATOM 854 CB GLU A 64 12.442 8.638 -13.368 1.00 0.52 C ATOM 855 CG GLU A 64 13.936 8.417 -13.529 1.00 65.35 C ATOM 856 CD GLU A 64 14.681 9.691 -13.878 1.00 20.03 C ATOM 857 OE1 GLU A 64 14.430 10.724 -13.222 1.00 61.51 O ATOM 858 OE2 GLU A 64 15.515 9.655 -14.807 1.00 23.25 O ATOM 0 H GLU A 64 10.982 6.834 -15.581 1.00 60.32 H new ATOM 0 HA GLU A 64 12.267 6.538 -13.790 1.00 54.43 H new ATOM 0 HB2 GLU A 64 12.128 9.440 -14.036 1.00 0.52 H new ATOM 0 HB3 GLU A 64 12.241 8.973 -12.351 1.00 0.52 H new ATOM 0 HG2 GLU A 64 14.340 8.006 -12.604 1.00 65.35 H new ATOM 0 HG3 GLU A 64 14.108 7.675 -14.309 1.00 65.35 H new ATOM 865 N THR A 65 10.029 8.152 -11.974 1.00 43.14 N ATOM 866 CA THR A 65 9.115 8.015 -10.848 1.00 21.43 C ATOM 867 C THR A 65 7.706 8.458 -11.225 1.00 44.24 C ATOM 868 O THR A 65 7.523 9.273 -12.130 1.00 52.53 O ATOM 869 CB THR A 65 9.591 8.835 -9.634 1.00 45.34 C ATOM 870 OG1 THR A 65 9.379 10.231 -9.873 1.00 51.11 O ATOM 871 CG2 THR A 65 11.065 8.582 -9.355 1.00 2.13 C ATOM 0 H THR A 65 10.123 9.104 -12.327 1.00 43.14 H new ATOM 0 HA THR A 65 9.101 6.958 -10.580 1.00 21.43 H new ATOM 0 HB THR A 65 9.014 8.523 -8.764 1.00 45.34 H new ATOM 0 HG1 THR A 65 9.682 10.746 -9.096 1.00 51.11 H new ATOM 0 HG21 THR A 65 11.379 9.172 -8.494 1.00 2.13 H new ATOM 0 HG22 THR A 65 11.219 7.523 -9.146 1.00 2.13 H new ATOM 0 HG23 THR A 65 11.655 8.869 -10.226 1.00 2.13 H new ATOM 879 N LEU A 66 6.714 7.918 -10.527 1.00 30.10 N ATOM 880 CA LEU A 66 5.320 8.259 -10.789 1.00 31.12 C ATOM 881 C LEU A 66 4.861 9.402 -9.890 1.00 1.53 C ATOM 882 O LEU A 66 3.672 9.711 -9.820 1.00 72.34 O ATOM 883 CB LEU A 66 4.426 7.036 -10.574 1.00 42.22 C ATOM 884 CG LEU A 66 3.169 6.963 -11.442 1.00 65.21 C ATOM 885 CD1 LEU A 66 3.519 6.507 -12.850 1.00 61.31 C ATOM 886 CD2 LEU A 66 2.143 6.029 -10.817 1.00 2.44 C ATOM 0 H LEU A 66 6.849 7.242 -9.775 1.00 30.10 H new ATOM 0 HA LEU A 66 5.240 8.582 -11.827 1.00 31.12 H new ATOM 0 HB2 LEU A 66 5.020 6.140 -10.754 1.00 42.22 H new ATOM 0 HB3 LEU A 66 4.123 7.012 -9.527 1.00 42.22 H new ATOM 0 HG LEU A 66 2.734 7.960 -11.502 1.00 65.21 H new ATOM 0 HD11 LEU A 66 2.612 6.461 -13.453 1.00 61.31 H new ATOM 0 HD12 LEU A 66 4.218 7.214 -13.298 1.00 61.31 H new ATOM 0 HD13 LEU A 66 3.978 5.519 -12.809 1.00 61.31 H new ATOM 0 HD21 LEU A 66 1.255 5.989 -11.448 1.00 2.44 H new ATOM 0 HD22 LEU A 66 2.569 5.030 -10.726 1.00 2.44 H new ATOM 0 HD23 LEU A 66 1.869 6.398 -9.829 1.00 2.44 H new ATOM 898 N GLU A 67 5.813 10.029 -9.205 1.00 20.32 N ATOM 899 CA GLU A 67 5.506 11.139 -8.311 1.00 55.34 C ATOM 900 C GLU A 67 5.078 12.372 -9.103 1.00 5.11 C ATOM 901 O GLU A 67 4.101 13.036 -8.758 1.00 51.24 O ATOM 902 CB GLU A 67 6.719 11.474 -7.441 1.00 33.41 C ATOM 903 CG GLU A 67 6.407 11.522 -5.955 1.00 33.34 C ATOM 904 CD GLU A 67 7.552 12.086 -5.136 1.00 73.11 C ATOM 905 OE1 GLU A 67 8.710 11.996 -5.594 1.00 31.20 O ATOM 906 OE2 GLU A 67 7.289 12.618 -4.037 1.00 73.12 O ATOM 0 H GLU A 67 6.803 9.787 -9.252 1.00 20.32 H new ATOM 0 HA GLU A 67 4.680 10.836 -7.668 1.00 55.34 H new ATOM 0 HB2 GLU A 67 7.498 10.732 -7.616 1.00 33.41 H new ATOM 0 HB3 GLU A 67 7.122 12.438 -7.750 1.00 33.41 H new ATOM 0 HG2 GLU A 67 5.516 12.130 -5.794 1.00 33.34 H new ATOM 0 HG3 GLU A 67 6.175 10.517 -5.604 1.00 33.34 H new ATOM 913 N SER A 68 5.819 12.672 -10.165 1.00 61.11 N ATOM 914 CA SER A 68 5.521 13.827 -11.004 1.00 13.03 C ATOM 915 C SER A 68 4.263 13.586 -11.832 1.00 55.33 C ATOM 916 O SER A 68 3.651 14.526 -12.341 1.00 54.51 O ATOM 917 CB SER A 68 6.702 14.133 -11.926 1.00 61.35 C ATOM 918 OG SER A 68 7.028 15.512 -11.898 1.00 72.52 O ATOM 0 H SER A 68 6.630 12.131 -10.465 1.00 61.11 H new ATOM 0 HA SER A 68 5.348 14.683 -10.352 1.00 13.03 H new ATOM 0 HB2 SER A 68 7.568 13.545 -11.620 1.00 61.35 H new ATOM 0 HB3 SER A 68 6.458 13.835 -12.946 1.00 61.35 H new ATOM 0 HG SER A 68 7.787 15.681 -12.494 1.00 72.52 H new ATOM 924 N LEU A 69 3.882 12.320 -11.964 1.00 12.43 N ATOM 925 CA LEU A 69 2.696 11.954 -12.731 1.00 22.35 C ATOM 926 C LEU A 69 1.507 11.705 -11.808 1.00 71.35 C ATOM 927 O LEU A 69 0.363 11.642 -12.257 1.00 10.41 O ATOM 928 CB LEU A 69 2.974 10.706 -13.571 1.00 41.54 C ATOM 929 CG LEU A 69 4.170 10.790 -14.520 1.00 61.44 C ATOM 930 CD1 LEU A 69 4.234 12.158 -15.180 1.00 51.42 C ATOM 931 CD2 LEU A 69 5.464 10.494 -13.775 1.00 74.14 C ATOM 0 H LEU A 69 4.377 11.530 -11.550 1.00 12.43 H new ATOM 0 HA LEU A 69 2.451 12.784 -13.394 1.00 22.35 H new ATOM 0 HB2 LEU A 69 3.130 9.865 -12.896 1.00 41.54 H new ATOM 0 HB3 LEU A 69 2.084 10.482 -14.159 1.00 41.54 H new ATOM 0 HG LEU A 69 4.043 10.039 -15.300 1.00 61.44 H new ATOM 0 HD11 LEU A 69 5.092 12.198 -15.852 1.00 51.42 H new ATOM 0 HD12 LEU A 69 3.320 12.331 -15.748 1.00 51.42 H new ATOM 0 HD13 LEU A 69 4.336 12.927 -14.414 1.00 51.42 H new ATOM 0 HD21 LEU A 69 6.305 10.558 -14.466 1.00 74.14 H new ATOM 0 HD22 LEU A 69 5.597 11.221 -12.973 1.00 74.14 H new ATOM 0 HD23 LEU A 69 5.419 9.491 -13.351 1.00 74.14 H new ATOM 943 N GLY A 70 1.786 11.565 -10.516 1.00 34.12 N ATOM 944 CA GLY A 70 0.728 11.327 -9.551 1.00 25.44 C ATOM 945 C GLY A 70 0.719 9.899 -9.042 1.00 75.44 C ATOM 946 O GLY A 70 0.187 9.002 -9.698 1.00 14.33 O ATOM 0 H GLY A 70 2.725 11.612 -10.120 1.00 34.12 H new ATOM 0 HA2 GLY A 70 0.848 12.009 -8.709 1.00 25.44 H new ATOM 0 HA3 GLY A 70 -0.235 11.552 -10.009 1.00 25.44 H new ATOM 950 N VAL A 71 1.310 9.685 -7.871 1.00 72.42 N ATOM 951 CA VAL A 71 1.368 8.355 -7.276 1.00 14.14 C ATOM 952 C VAL A 71 0.002 7.929 -6.748 1.00 41.42 C ATOM 953 O VAL A 71 -0.744 8.741 -6.200 1.00 65.33 O ATOM 954 CB VAL A 71 2.390 8.300 -6.125 1.00 62.51 C ATOM 955 CG1 VAL A 71 2.377 6.930 -5.464 1.00 71.53 C ATOM 956 CG2 VAL A 71 3.783 8.642 -6.633 1.00 75.13 C ATOM 0 H VAL A 71 1.755 10.415 -7.316 1.00 72.42 H new ATOM 0 HA VAL A 71 1.680 7.669 -8.063 1.00 14.14 H new ATOM 0 HB VAL A 71 2.108 9.041 -5.377 1.00 62.51 H new ATOM 0 HG11 VAL A 71 3.105 6.910 -4.653 1.00 71.53 H new ATOM 0 HG12 VAL A 71 1.383 6.728 -5.064 1.00 71.53 H new ATOM 0 HG13 VAL A 71 2.633 6.168 -6.200 1.00 71.53 H new ATOM 0 HG21 VAL A 71 4.493 8.598 -5.807 1.00 75.13 H new ATOM 0 HG22 VAL A 71 4.076 7.926 -7.401 1.00 75.13 H new ATOM 0 HG23 VAL A 71 3.780 9.647 -7.056 1.00 75.13 H new ATOM 966 N ALA A 72 -0.319 6.651 -6.917 1.00 70.21 N ATOM 967 CA ALA A 72 -1.594 6.116 -6.456 1.00 11.12 C ATOM 968 C ALA A 72 -1.432 4.700 -5.915 1.00 21.41 C ATOM 969 O ALA A 72 -0.594 3.934 -6.393 1.00 54.32 O ATOM 970 CB ALA A 72 -2.615 6.139 -7.584 1.00 20.33 C ATOM 0 H ALA A 72 0.287 5.966 -7.370 1.00 70.21 H new ATOM 0 HA ALA A 72 -1.952 6.748 -5.644 1.00 11.12 H new ATOM 0 HB1 ALA A 72 -3.562 5.737 -7.225 1.00 20.33 H new ATOM 0 HB2 ALA A 72 -2.761 7.165 -7.922 1.00 20.33 H new ATOM 0 HB3 ALA A 72 -2.254 5.532 -8.414 1.00 20.33 H new ATOM 976 N ASP A 73 -2.237 4.357 -4.915 1.00 51.33 N ATOM 977 CA ASP A 73 -2.183 3.032 -4.309 1.00 61.13 C ATOM 978 C ASP A 73 -3.276 2.131 -4.875 1.00 32.23 C ATOM 979 O ASP A 73 -4.359 2.597 -5.226 1.00 12.02 O ATOM 980 CB ASP A 73 -2.326 3.136 -2.790 1.00 44.21 C ATOM 981 CG ASP A 73 -3.572 3.893 -2.376 1.00 51.43 C ATOM 982 OD1 ASP A 73 -4.685 3.410 -2.671 1.00 22.31 O ATOM 983 OD2 ASP A 73 -3.435 4.970 -1.759 1.00 2.35 O ATOM 0 H ASP A 73 -2.935 4.979 -4.507 1.00 51.33 H new ATOM 0 HA ASP A 73 -1.215 2.591 -4.545 1.00 61.13 H new ATOM 0 HB2 ASP A 73 -2.354 2.134 -2.361 1.00 44.21 H new ATOM 0 HB3 ASP A 73 -1.448 3.634 -2.379 1.00 44.21 H new ATOM 988 N GLY A 74 -2.984 0.837 -4.961 1.00 21.51 N ATOM 989 CA GLY A 74 -3.952 -0.109 -5.486 1.00 25.24 C ATOM 990 C GLY A 74 -4.215 0.092 -6.965 1.00 32.53 C ATOM 991 O GLY A 74 -5.223 -0.379 -7.492 1.00 14.11 O ATOM 0 H GLY A 74 -2.095 0.427 -4.677 1.00 21.51 H new ATOM 0 HA2 GLY A 74 -3.591 -1.124 -5.319 1.00 25.24 H new ATOM 0 HA3 GLY A 74 -4.888 -0.009 -4.937 1.00 25.24 H new ATOM 995 N ASP A 75 -3.308 0.793 -7.636 1.00 14.13 N ATOM 996 CA ASP A 75 -3.448 1.056 -9.063 1.00 50.03 C ATOM 997 C ASP A 75 -3.580 -0.247 -9.845 1.00 74.14 C ATOM 998 O ASP A 75 -3.530 -1.336 -9.272 1.00 51.35 O ATOM 999 CB ASP A 75 -2.248 1.854 -9.576 1.00 71.44 C ATOM 1000 CG ASP A 75 -2.503 3.348 -9.575 1.00 0.10 C ATOM 1001 OD1 ASP A 75 -3.523 3.775 -8.995 1.00 3.04 O ATOM 1002 OD2 ASP A 75 -1.683 4.091 -10.155 1.00 31.20 O ATOM 0 H ASP A 75 -2.468 1.189 -7.215 1.00 14.13 H new ATOM 0 HA ASP A 75 -4.355 1.642 -9.212 1.00 50.03 H new ATOM 0 HB2 ASP A 75 -1.379 1.636 -8.956 1.00 71.44 H new ATOM 0 HB3 ASP A 75 -2.006 1.530 -10.588 1.00 71.44 H new ATOM 1007 N LYS A 76 -3.751 -0.129 -11.158 1.00 1.33 N ATOM 1008 CA LYS A 76 -3.891 -1.296 -12.020 1.00 23.20 C ATOM 1009 C LYS A 76 -2.994 -1.176 -13.248 1.00 54.33 C ATOM 1010 O LYS A 76 -3.012 -0.161 -13.945 1.00 10.31 O ATOM 1011 CB LYS A 76 -5.349 -1.464 -12.454 1.00 4.22 C ATOM 1012 CG LYS A 76 -6.334 -1.436 -11.298 1.00 51.44 C ATOM 1013 CD LYS A 76 -7.747 -1.749 -11.762 1.00 64.25 C ATOM 1014 CE LYS A 76 -8.755 -0.771 -11.180 1.00 1.23 C ATOM 1015 NZ LYS A 76 -10.141 -1.063 -11.639 1.00 62.04 N ATOM 0 H LYS A 76 -3.796 0.764 -11.648 1.00 1.33 H new ATOM 0 HA LYS A 76 -3.584 -2.175 -11.452 1.00 23.20 H new ATOM 0 HB2 LYS A 76 -5.604 -0.671 -13.157 1.00 4.22 H new ATOM 0 HB3 LYS A 76 -5.454 -2.409 -12.987 1.00 4.22 H new ATOM 0 HG2 LYS A 76 -6.030 -2.160 -10.542 1.00 51.44 H new ATOM 0 HG3 LYS A 76 -6.314 -0.454 -10.826 1.00 51.44 H new ATOM 0 HD2 LYS A 76 -7.790 -1.712 -12.851 1.00 64.25 H new ATOM 0 HD3 LYS A 76 -8.011 -2.764 -11.467 1.00 64.25 H new ATOM 0 HE2 LYS A 76 -8.716 -0.815 -10.092 1.00 1.23 H new ATOM 0 HE3 LYS A 76 -8.484 0.245 -11.468 1.00 1.23 H new ATOM 0 HZ1 LYS A 76 -10.798 -0.374 -11.220 1.00 62.04 H new ATOM 0 HZ2 LYS A 76 -10.185 -0.997 -12.676 1.00 62.04 H new ATOM 0 HZ3 LYS A 76 -10.410 -2.023 -11.342 1.00 62.04 H new ATOM 1029 N PHE A 77 -2.213 -2.218 -13.509 1.00 64.22 N ATOM 1030 CA PHE A 77 -1.310 -2.229 -14.654 1.00 63.13 C ATOM 1031 C PHE A 77 -1.766 -3.246 -15.697 1.00 5.22 C ATOM 1032 O PHE A 77 -2.231 -4.334 -15.357 1.00 51.23 O ATOM 1033 CB PHE A 77 0.117 -2.549 -14.203 1.00 32.32 C ATOM 1034 CG PHE A 77 0.856 -1.359 -13.663 1.00 2.41 C ATOM 1035 CD1 PHE A 77 0.930 -0.183 -14.393 1.00 24.22 C ATOM 1036 CD2 PHE A 77 1.477 -1.414 -12.425 1.00 75.52 C ATOM 1037 CE1 PHE A 77 1.611 0.914 -13.899 1.00 32.55 C ATOM 1038 CE2 PHE A 77 2.158 -0.321 -11.926 1.00 1.34 C ATOM 1039 CZ PHE A 77 2.224 0.845 -12.663 1.00 3.11 C ATOM 0 H PHE A 77 -2.187 -3.066 -12.943 1.00 64.22 H new ATOM 0 HA PHE A 77 -1.327 -1.238 -15.107 1.00 63.13 H new ATOM 0 HB2 PHE A 77 0.082 -3.323 -13.437 1.00 32.32 H new ATOM 0 HB3 PHE A 77 0.672 -2.960 -15.046 1.00 32.32 H new ATOM 0 HD1 PHE A 77 0.450 -0.123 -15.359 1.00 24.22 H new ATOM 0 HD2 PHE A 77 1.428 -2.323 -11.843 1.00 75.52 H new ATOM 0 HE1 PHE A 77 1.664 1.824 -14.479 1.00 32.55 H new ATOM 0 HE2 PHE A 77 2.638 -0.378 -10.960 1.00 1.34 H new ATOM 0 HZ PHE A 77 2.754 1.702 -12.274 1.00 3.11 H new ATOM 1049 N VAL A 78 -1.629 -2.883 -16.968 1.00 44.22 N ATOM 1050 CA VAL A 78 -2.025 -3.762 -18.061 1.00 74.33 C ATOM 1051 C VAL A 78 -0.815 -4.457 -18.675 1.00 21.24 C ATOM 1052 O VAL A 78 0.075 -3.807 -19.226 1.00 75.50 O ATOM 1053 CB VAL A 78 -2.771 -2.987 -19.163 1.00 52.43 C ATOM 1054 CG1 VAL A 78 -3.178 -3.921 -20.292 1.00 61.14 C ATOM 1055 CG2 VAL A 78 -3.985 -2.276 -18.585 1.00 53.41 C ATOM 0 H VAL A 78 -1.247 -1.986 -17.266 1.00 44.22 H new ATOM 0 HA VAL A 78 -2.694 -4.511 -17.637 1.00 74.33 H new ATOM 0 HB VAL A 78 -2.097 -2.234 -19.572 1.00 52.43 H new ATOM 0 HG11 VAL A 78 -3.704 -3.355 -21.061 1.00 61.14 H new ATOM 0 HG12 VAL A 78 -2.288 -4.379 -20.724 1.00 61.14 H new ATOM 0 HG13 VAL A 78 -3.834 -4.699 -19.902 1.00 61.14 H new ATOM 0 HG21 VAL A 78 -4.500 -1.733 -19.377 1.00 53.41 H new ATOM 0 HG22 VAL A 78 -4.662 -3.010 -18.148 1.00 53.41 H new ATOM 0 HG23 VAL A 78 -3.664 -1.575 -17.815 1.00 53.41 H new ATOM 1065 N LEU A 79 -0.787 -5.782 -18.576 1.00 10.44 N ATOM 1066 CA LEU A 79 0.315 -6.567 -19.121 1.00 52.44 C ATOM 1067 C LEU A 79 -0.112 -7.293 -20.393 1.00 43.22 C ATOM 1068 O LEU A 79 -1.042 -8.099 -20.377 1.00 33.02 O ATOM 1069 CB LEU A 79 0.809 -7.577 -18.085 1.00 65.10 C ATOM 1070 CG LEU A 79 1.865 -8.572 -18.568 1.00 43.03 C ATOM 1071 CD1 LEU A 79 3.032 -7.841 -19.214 1.00 53.34 C ATOM 1072 CD2 LEU A 79 2.350 -9.438 -17.415 1.00 34.14 C ATOM 0 H LEU A 79 -1.515 -6.335 -18.123 1.00 10.44 H new ATOM 0 HA LEU A 79 1.128 -5.884 -19.369 1.00 52.44 H new ATOM 0 HB2 LEU A 79 1.218 -7.027 -17.237 1.00 65.10 H new ATOM 0 HB3 LEU A 79 -0.049 -8.139 -17.717 1.00 65.10 H new ATOM 0 HG LEU A 79 1.409 -9.220 -19.316 1.00 43.03 H new ATOM 0 HD11 LEU A 79 3.773 -8.565 -19.551 1.00 53.34 H new ATOM 0 HD12 LEU A 79 2.673 -7.265 -20.067 1.00 53.34 H new ATOM 0 HD13 LEU A 79 3.487 -7.168 -18.487 1.00 53.34 H new ATOM 0 HD21 LEU A 79 3.101 -10.140 -17.778 1.00 34.14 H new ATOM 0 HD22 LEU A 79 2.788 -8.805 -16.643 1.00 34.14 H new ATOM 0 HD23 LEU A 79 1.509 -9.991 -16.996 1.00 34.14 H new ATOM 1084 N ILE A 80 0.576 -7.003 -21.493 1.00 20.14 N ATOM 1085 CA ILE A 80 0.270 -7.631 -22.772 1.00 23.21 C ATOM 1086 C ILE A 80 1.479 -8.385 -23.317 1.00 52.30 C ATOM 1087 O ILE A 80 2.621 -7.955 -23.149 1.00 73.11 O ATOM 1088 CB ILE A 80 -0.186 -6.593 -23.814 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -0.473 -7.275 -25.153 1.00 44.45 C ATOM 1090 CG2 ILE A 80 0.869 -5.510 -23.980 1.00 4.23 C ATOM 1091 CD1 ILE A 80 -1.588 -6.620 -25.938 1.00 43.13 C ATOM 0 H ILE A 80 1.348 -6.338 -21.524 1.00 20.14 H new ATOM 0 HA ILE A 80 -0.543 -8.334 -22.592 1.00 23.21 H new ATOM 0 HB ILE A 80 -1.105 -6.126 -23.461 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.435 -7.271 -25.755 1.00 44.45 H new ATOM 0 HG13 ILE A 80 -0.731 -8.318 -24.972 1.00 44.45 H new ATOM 0 HG21 ILE A 80 0.532 -4.784 -24.720 1.00 4.23 H new ATOM 0 HG22 ILE A 80 1.029 -5.008 -23.026 1.00 4.23 H new ATOM 0 HG23 ILE A 80 1.804 -5.961 -24.314 1.00 4.23 H new ATOM 0 HD11 ILE A 80 -1.736 -7.156 -26.875 1.00 43.13 H new ATOM 0 HD12 ILE A 80 -2.508 -6.647 -25.355 1.00 43.13 H new ATOM 0 HD13 ILE A 80 -1.324 -5.584 -26.150 1.00 43.13 H new ATOM 1103 N THR A 81 1.220 -9.512 -23.973 1.00 41.31 N ATOM 1104 CA THR A 81 2.286 -10.326 -24.544 1.00 53.52 C ATOM 1105 C THR A 81 1.976 -10.703 -25.988 1.00 52.44 C ATOM 1106 O THR A 81 0.879 -11.169 -26.296 1.00 60.42 O ATOM 1107 CB THR A 81 2.510 -11.612 -23.727 1.00 0.44 C ATOM 1108 OG1 THR A 81 3.571 -12.380 -24.304 1.00 25.12 O ATOM 1109 CG2 THR A 81 1.241 -12.449 -23.675 1.00 52.45 C ATOM 0 H THR A 81 0.281 -9.882 -24.122 1.00 41.31 H new ATOM 0 HA THR A 81 3.194 -9.723 -24.515 1.00 53.52 H new ATOM 0 HB THR A 81 2.780 -11.327 -22.710 1.00 0.44 H new ATOM 0 HG1 THR A 81 4.307 -11.784 -24.556 1.00 25.12 H new ATOM 0 HG21 THR A 81 1.424 -13.352 -23.093 1.00 52.45 H new ATOM 0 HG22 THR A 81 0.443 -11.872 -23.208 1.00 52.45 H new ATOM 0 HG23 THR A 81 0.945 -12.724 -24.687 1.00 52.45 H new ATOM 1117 N ARG A 82 2.949 -10.498 -26.870 1.00 53.23 N ATOM 1118 CA ARG A 82 2.779 -10.816 -28.283 1.00 32.21 C ATOM 1119 C ARG A 82 3.437 -12.150 -28.622 1.00 72.44 C ATOM 1120 O ARG A 82 4.384 -12.575 -27.960 1.00 2.21 O ATOM 1121 CB ARG A 82 3.373 -9.707 -29.153 1.00 15.44 C ATOM 1122 CG ARG A 82 2.330 -8.770 -29.740 1.00 51.34 C ATOM 1123 CD ARG A 82 2.817 -8.136 -31.034 1.00 53.30 C ATOM 1124 NE ARG A 82 1.728 -7.512 -31.781 1.00 41.04 N ATOM 1125 CZ ARG A 82 1.903 -6.851 -32.921 1.00 33.44 C ATOM 1126 NH1 ARG A 82 3.116 -6.730 -33.441 1.00 2.32 N ATOM 1127 NH2 ARG A 82 0.862 -6.311 -33.542 1.00 61.40 N ATOM 0 H ARG A 82 3.863 -10.113 -26.631 1.00 53.23 H new ATOM 0 HA ARG A 82 1.711 -10.894 -28.486 1.00 32.21 H new ATOM 0 HB2 ARG A 82 4.077 -9.126 -28.557 1.00 15.44 H new ATOM 0 HB3 ARG A 82 3.942 -10.159 -29.966 1.00 15.44 H new ATOM 0 HG2 ARG A 82 1.409 -9.321 -29.928 1.00 51.34 H new ATOM 0 HG3 ARG A 82 2.093 -7.989 -29.017 1.00 51.34 H new ATOM 0 HD2 ARG A 82 3.577 -7.388 -30.808 1.00 53.30 H new ATOM 0 HD3 ARG A 82 3.293 -8.896 -31.654 1.00 53.30 H new ATOM 0 HE ARG A 82 0.782 -7.588 -31.408 1.00 41.04 H new ATOM 0 HH11 ARG A 82 3.918 -7.145 -32.966 1.00 2.32 H new ATOM 0 HH12 ARG A 82 3.248 -6.222 -34.316 1.00 2.32 H new ATOM 0 HH21 ARG A 82 -0.073 -6.403 -33.145 1.00 61.40 H new ATOM 0 HH22 ARG A 82 0.997 -5.804 -34.417 1.00 61.40 H new