USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc=-0.00464 X(o=-0.0046,f=-0.073) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.52! USER MOD Single : A 15 LYS NZ :NH3+ 159:sc=-3.53e-05 (180deg=-0.124) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 68:sc= 1.31 USER MOD Single : A 60 MET CE :methyl 146:sc= -0.0767 (180deg=-1.1) USER MOD Single : A 62 MET CE :methyl 156:sc= -0.977 (180deg=-3.05!) USER MOD Single : A 66 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00466 USER MOD Single : A 70 MET CE :methyl -170:sc= -0.393 (180deg=-0.994) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -5.656 8.934 -5.512 1.00 0.00 N ATOM 110 CA THR A 7 -5.538 7.449 -5.496 1.00 0.00 C ATOM 111 C THR A 7 -6.105 6.911 -4.173 1.00 0.00 C ATOM 112 O THR A 7 -6.417 7.675 -3.281 1.00 0.00 O ATOM 113 CB THR A 7 -4.053 7.064 -5.678 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.947 6.051 -6.668 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.438 6.563 -4.365 1.00 0.00 C ATOM 0 HA THR A 7 -6.109 7.006 -6.312 1.00 0.00 H new ATOM 0 HB THR A 7 -3.506 7.954 -5.990 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.005 5.806 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.393 6.301 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.501 7.348 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.983 5.684 -4.020 1.00 0.00 H new ATOM 123 N PRO A 8 -6.215 5.611 -4.088 1.00 0.00 N ATOM 124 CA PRO A 8 -6.738 4.934 -2.888 1.00 0.00 C ATOM 125 C PRO A 8 -5.668 4.897 -1.790 1.00 0.00 C ATOM 126 O PRO A 8 -4.548 5.311 -2.006 1.00 0.00 O ATOM 127 CB PRO A 8 -7.086 3.530 -3.392 1.00 0.00 C ATOM 128 CG PRO A 8 -6.250 3.302 -4.674 1.00 0.00 C ATOM 129 CD PRO A 8 -5.826 4.693 -5.179 1.00 0.00 C ATOM 0 HA PRO A 8 -7.598 5.435 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.852 2.778 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.152 3.448 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.377 2.685 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.835 2.778 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.754 4.736 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.329 4.948 -6.112 1.00 0.00 H new ATOM 137 N PRO A 9 -6.051 4.412 -0.636 1.00 0.00 N ATOM 138 CA PRO A 9 -5.144 4.321 0.521 1.00 0.00 C ATOM 139 C PRO A 9 -4.119 3.197 0.331 1.00 0.00 C ATOM 140 O PRO A 9 -4.390 2.192 -0.295 1.00 0.00 O ATOM 141 CB PRO A 9 -6.083 4.037 1.695 1.00 0.00 C ATOM 142 CG PRO A 9 -7.374 3.440 1.086 1.00 0.00 C ATOM 143 CD PRO A 9 -7.415 3.904 -0.381 1.00 0.00 C ATOM 0 HA PRO A 9 -4.553 5.224 0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.627 3.340 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.301 4.951 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.367 2.352 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.255 3.785 1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.667 3.083 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.165 4.681 -0.533 1.00 0.00 H new ATOM 151 N ALA A 10 -2.940 3.375 0.863 1.00 0.00 N ATOM 152 CA ALA A 10 -1.880 2.339 0.716 1.00 0.00 C ATOM 153 C ALA A 10 -2.470 0.944 0.940 1.00 0.00 C ATOM 154 O ALA A 10 -2.370 0.082 0.095 1.00 0.00 O ATOM 155 CB ALA A 10 -0.775 2.595 1.743 1.00 0.00 C ATOM 0 H ALA A 10 -2.665 4.200 1.397 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.468 2.392 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.002 1.838 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.345 3.582 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.194 2.547 2.748 1.00 0.00 H new ATOM 161 N ALA A 11 -3.072 0.711 2.074 1.00 0.00 N ATOM 162 CA ALA A 11 -3.652 -0.637 2.340 1.00 0.00 C ATOM 163 C ALA A 11 -4.506 -1.076 1.148 1.00 0.00 C ATOM 164 O ALA A 11 -4.079 -1.864 0.326 1.00 0.00 O ATOM 165 CB ALA A 11 -4.517 -0.584 3.599 1.00 0.00 C ATOM 0 H ALA A 11 -3.187 1.392 2.825 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.844 -1.354 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.940 -1.570 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.905 -0.279 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.324 0.135 3.456 1.00 0.00 H new ATOM 171 N VAL A 12 -5.711 -0.577 1.042 1.00 0.00 N ATOM 172 CA VAL A 12 -6.583 -0.972 -0.101 1.00 0.00 C ATOM 173 C VAL A 12 -5.759 -0.958 -1.391 1.00 0.00 C ATOM 174 O VAL A 12 -5.643 -1.955 -2.073 1.00 0.00 O ATOM 175 CB VAL A 12 -7.748 0.011 -0.224 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.676 -0.436 -1.356 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.532 0.038 1.090 1.00 0.00 C ATOM 0 H VAL A 12 -6.127 0.085 1.697 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.978 -1.974 0.070 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.361 1.007 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.506 0.265 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.121 -0.460 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.063 -1.431 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.363 0.738 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.918 -0.959 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.874 0.354 1.900 1.00 0.00 H new ATOM 187 N LEU A 13 -5.178 0.161 -1.724 1.00 0.00 N ATOM 188 CA LEU A 13 -4.354 0.232 -2.963 1.00 0.00 C ATOM 189 C LEU A 13 -3.413 -0.966 -3.004 1.00 0.00 C ATOM 190 O LEU A 13 -3.215 -1.587 -4.029 1.00 0.00 O ATOM 191 CB LEU A 13 -3.538 1.523 -2.948 1.00 0.00 C ATOM 192 CG LEU A 13 -2.511 1.508 -4.081 1.00 0.00 C ATOM 193 CD1 LEU A 13 -3.223 1.706 -5.419 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.508 2.645 -3.864 1.00 0.00 C ATOM 0 H LEU A 13 -5.238 1.029 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.999 0.220 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.200 2.382 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.032 1.631 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.988 0.552 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.490 1.695 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.942 0.901 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.745 2.663 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.773 2.640 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.035 3.599 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.002 2.506 -2.909 1.00 0.00 H new ATOM 206 N LEU A 14 -2.836 -1.289 -1.888 1.00 0.00 N ATOM 207 CA LEU A 14 -1.905 -2.448 -1.833 1.00 0.00 C ATOM 208 C LEU A 14 -2.703 -3.734 -2.025 1.00 0.00 C ATOM 209 O LEU A 14 -2.563 -4.415 -3.018 1.00 0.00 O ATOM 210 CB LEU A 14 -1.201 -2.478 -0.478 1.00 0.00 C ATOM 211 CG LEU A 14 0.191 -1.862 -0.615 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.065 -0.424 -1.122 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.883 -1.861 0.748 1.00 0.00 C ATOM 0 H LEU A 14 -2.968 -0.798 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.157 -2.357 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.784 -1.926 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.123 -3.504 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 14 0.779 -2.447 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.058 0.016 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.430 -0.423 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.523 0.161 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.876 -1.422 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.294 -1.276 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.973 -2.885 1.111 1.00 0.00 H new ATOM 225 N LYS A 15 -3.553 -4.068 -1.090 1.00 0.00 N ATOM 226 CA LYS A 15 -4.360 -5.309 -1.244 1.00 0.00 C ATOM 227 C LYS A 15 -4.991 -5.293 -2.633 1.00 0.00 C ATOM 228 O LYS A 15 -5.283 -6.319 -3.218 1.00 0.00 O ATOM 229 CB LYS A 15 -5.458 -5.348 -0.180 1.00 0.00 C ATOM 230 CG LYS A 15 -6.272 -6.635 -0.333 1.00 0.00 C ATOM 231 CD LYS A 15 -7.076 -6.886 0.944 1.00 0.00 C ATOM 232 CE LYS A 15 -8.499 -6.354 0.762 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.273 -7.285 -0.107 1.00 0.00 N ATOM 0 H LYS A 15 -3.721 -3.539 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.727 -6.188 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.016 -5.301 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.109 -4.479 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.943 -6.554 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.608 -7.477 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.101 -7.953 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.598 -6.394 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.988 -6.254 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.472 -5.360 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.291 -7.140 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.045 -7.099 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.023 -8.267 0.127 1.00 0.00 H new ATOM 247 N LYS A 16 -5.195 -4.128 -3.172 1.00 0.00 N ATOM 248 CA LYS A 16 -5.784 -4.035 -4.529 1.00 0.00 C ATOM 249 C LYS A 16 -4.721 -4.405 -5.558 1.00 0.00 C ATOM 250 O LYS A 16 -4.694 -5.500 -6.085 1.00 0.00 O ATOM 251 CB LYS A 16 -6.272 -2.607 -4.784 1.00 0.00 C ATOM 252 CG LYS A 16 -7.552 -2.355 -3.981 1.00 0.00 C ATOM 253 CD LYS A 16 -8.759 -2.875 -4.766 1.00 0.00 C ATOM 254 CE LYS A 16 -9.700 -1.710 -5.085 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.964 -2.239 -5.671 1.00 0.00 N ATOM 0 H LYS A 16 -4.978 -3.235 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.629 -4.719 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.502 -1.891 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.462 -2.460 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.491 -2.854 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.666 -1.289 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.428 -3.353 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.285 -3.633 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.916 -1.144 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.222 -1.023 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.604 -1.448 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.750 -2.761 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.422 -2.878 -4.990 1.00 0.00 H new ATOM 269 N ALA A 17 -3.855 -3.485 -5.848 1.00 0.00 N ATOM 270 CA ALA A 17 -2.780 -3.745 -6.851 1.00 0.00 C ATOM 271 C ALA A 17 -1.789 -4.799 -6.336 1.00 0.00 C ATOM 272 O ALA A 17 -1.601 -5.835 -6.942 1.00 0.00 O ATOM 273 CB ALA A 17 -2.030 -2.441 -7.131 1.00 0.00 C ATOM 0 H ALA A 17 -3.840 -2.553 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.240 -4.122 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.243 -2.624 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.725 -1.699 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.587 -2.071 -6.207 1.00 0.00 H new ATOM 279 N ALA A 18 -1.128 -4.527 -5.240 1.00 0.00 N ATOM 280 CA ALA A 18 -0.120 -5.490 -4.703 1.00 0.00 C ATOM 281 C ALA A 18 -0.800 -6.640 -3.954 1.00 0.00 C ATOM 282 O ALA A 18 -0.145 -7.543 -3.474 1.00 0.00 O ATOM 283 CB ALA A 18 0.813 -4.752 -3.740 1.00 0.00 C ATOM 0 H ALA A 18 -1.244 -3.675 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 18 0.442 -5.905 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.552 -5.449 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.321 -3.947 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.231 -4.334 -2.918 1.00 0.00 H new ATOM 289 N GLY A 19 -2.094 -6.620 -3.834 1.00 0.00 N ATOM 290 CA GLY A 19 -2.779 -7.720 -3.098 1.00 0.00 C ATOM 291 C GLY A 19 -3.197 -8.816 -4.076 1.00 0.00 C ATOM 292 O GLY A 19 -3.950 -9.701 -3.732 1.00 0.00 O ATOM 0 H GLY A 19 -2.706 -5.896 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.113 -8.132 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.654 -7.331 -2.577 1.00 0.00 H new ATOM 447 N LYS A 31 -1.239 -12.274 5.421 1.00 0.00 N ATOM 448 CA LYS A 31 -0.226 -12.012 4.360 1.00 0.00 C ATOM 449 C LYS A 31 -0.559 -12.849 3.123 1.00 0.00 C ATOM 450 O LYS A 31 -0.382 -14.051 3.112 1.00 0.00 O ATOM 451 CB LYS A 31 1.164 -12.395 4.877 1.00 0.00 C ATOM 452 CG LYS A 31 1.097 -13.764 5.557 1.00 0.00 C ATOM 453 CD LYS A 31 2.465 -14.444 5.476 1.00 0.00 C ATOM 454 CE LYS A 31 2.587 -15.191 4.146 1.00 0.00 C ATOM 455 NZ LYS A 31 2.066 -16.578 4.303 1.00 0.00 N ATOM 0 HA LYS A 31 -0.237 -10.954 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.876 -12.422 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.521 -11.644 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.797 -13.650 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.342 -14.385 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.258 -13.701 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.588 -15.138 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.028 -14.667 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.629 -15.217 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.149 -17.085 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.618 -17.076 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.067 -16.543 4.589 1.00 0.00 H new ATOM 469 N VAL A 32 -1.041 -12.228 2.081 1.00 0.00 N ATOM 470 CA VAL A 32 -1.383 -13.001 0.854 1.00 0.00 C ATOM 471 C VAL A 32 -0.544 -12.507 -0.323 1.00 0.00 C ATOM 472 O VAL A 32 -0.599 -13.052 -1.408 1.00 0.00 O ATOM 473 CB VAL A 32 -2.869 -12.827 0.529 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.679 -13.902 1.260 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.337 -11.442 0.982 1.00 0.00 C ATOM 0 H VAL A 32 -1.212 -11.224 2.026 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.171 -14.056 1.030 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.017 -12.925 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.737 -13.780 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.349 -14.889 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.528 -13.803 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.395 -11.321 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.188 -11.341 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.762 -10.676 0.463 1.00 0.00 H new ATOM 485 N ALA A 33 0.234 -11.485 -0.120 1.00 0.00 N ATOM 486 CA ALA A 33 1.074 -10.964 -1.235 1.00 0.00 C ATOM 487 C ALA A 33 2.399 -10.431 -0.686 1.00 0.00 C ATOM 488 O ALA A 33 2.444 -9.426 -0.008 1.00 0.00 O ATOM 489 CB ALA A 33 0.329 -9.835 -1.950 1.00 0.00 C ATOM 0 H ALA A 33 0.326 -10.988 0.766 1.00 0.00 H new ATOM 0 HA ALA A 33 1.277 -11.773 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.943 -9.453 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.611 -10.216 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.123 -9.031 -1.244 1.00 0.00 H new ATOM 495 N THR A 34 3.486 -11.090 -0.985 1.00 0.00 N ATOM 496 CA THR A 34 4.805 -10.609 -0.489 1.00 0.00 C ATOM 497 C THR A 34 5.515 -9.866 -1.620 1.00 0.00 C ATOM 498 O THR A 34 6.204 -10.454 -2.430 1.00 0.00 O ATOM 499 CB THR A 34 5.654 -11.801 -0.043 1.00 0.00 C ATOM 500 OG1 THR A 34 4.823 -12.939 0.120 1.00 0.00 O ATOM 501 CG2 THR A 34 6.341 -11.472 1.283 1.00 0.00 C ATOM 0 H THR A 34 3.517 -11.939 -1.550 1.00 0.00 H new ATOM 0 HA THR A 34 4.660 -9.940 0.360 1.00 0.00 H new ATOM 0 HB THR A 34 6.411 -12.011 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.367 -13.703 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.946 -12.322 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.981 -10.599 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.587 -11.260 2.041 1.00 0.00 H new ATOM 509 N ILE A 35 5.343 -8.575 -1.685 1.00 0.00 N ATOM 510 CA ILE A 35 5.996 -7.788 -2.767 1.00 0.00 C ATOM 511 C ILE A 35 7.280 -7.151 -2.244 1.00 0.00 C ATOM 512 O ILE A 35 7.429 -6.911 -1.065 1.00 0.00 O ATOM 513 CB ILE A 35 5.047 -6.681 -3.231 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.483 -5.953 -2.007 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.896 -7.290 -4.034 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.872 -4.620 -2.442 1.00 0.00 C ATOM 0 H ILE A 35 4.777 -8.030 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 35 6.232 -8.452 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 35 5.592 -5.977 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.727 -6.570 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.274 -5.782 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.223 -6.498 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.295 -7.811 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.349 -7.995 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.471 -4.102 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.640 -4.003 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.070 -4.803 -3.156 1.00 0.00 H new ATOM 528 N LYS A 36 8.204 -6.864 -3.115 1.00 0.00 N ATOM 529 CA LYS A 36 9.470 -6.227 -2.670 1.00 0.00 C ATOM 530 C LYS A 36 9.254 -4.715 -2.584 1.00 0.00 C ATOM 531 O LYS A 36 8.148 -4.232 -2.721 1.00 0.00 O ATOM 532 CB LYS A 36 10.579 -6.532 -3.678 1.00 0.00 C ATOM 533 CG LYS A 36 11.876 -6.851 -2.934 1.00 0.00 C ATOM 534 CD LYS A 36 13.058 -6.749 -3.899 1.00 0.00 C ATOM 535 CE LYS A 36 14.079 -5.751 -3.352 1.00 0.00 C ATOM 536 NZ LYS A 36 14.364 -4.714 -4.385 1.00 0.00 N ATOM 0 H LYS A 36 8.136 -7.044 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 36 9.760 -6.616 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.291 -7.375 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.728 -5.678 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.011 -6.158 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.826 -7.853 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.522 -7.727 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.712 -6.429 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.695 -5.281 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.998 -6.269 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.058 -4.035 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.748 -5.170 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.485 -4.213 -4.626 1.00 0.00 H new ATOM 550 N ARG A 37 10.293 -3.962 -2.363 1.00 0.00 N ATOM 551 CA ARG A 37 10.123 -2.485 -2.278 1.00 0.00 C ATOM 552 C ARG A 37 9.710 -1.944 -3.648 1.00 0.00 C ATOM 553 O ARG A 37 9.267 -0.823 -3.777 1.00 0.00 O ATOM 554 CB ARG A 37 11.442 -1.842 -1.845 1.00 0.00 C ATOM 555 CG ARG A 37 11.552 -1.885 -0.320 1.00 0.00 C ATOM 556 CD ARG A 37 12.923 -2.434 0.078 1.00 0.00 C ATOM 557 NE ARG A 37 13.983 -1.476 -0.345 1.00 0.00 N ATOM 558 CZ ARG A 37 14.992 -1.894 -1.059 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.670 -2.942 -0.682 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.322 -1.263 -2.153 1.00 0.00 N ATOM 0 H ARG A 37 11.247 -4.301 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 37 9.351 -2.247 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.282 -2.370 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.489 -0.811 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.415 -0.886 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.763 -2.513 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.966 -2.588 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.088 -3.405 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 37 13.920 -0.494 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.412 -3.436 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.458 -3.268 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.791 -0.444 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.111 -1.589 -2.712 1.00 0.00 H new ATOM 574 N ASP A 38 9.853 -2.742 -4.667 1.00 0.00 N ATOM 575 CA ASP A 38 9.473 -2.290 -6.036 1.00 0.00 C ATOM 576 C ASP A 38 7.983 -1.932 -6.075 1.00 0.00 C ATOM 577 O ASP A 38 7.575 -1.000 -6.744 1.00 0.00 O ATOM 578 CB ASP A 38 9.749 -3.417 -7.035 1.00 0.00 C ATOM 579 CG ASP A 38 10.786 -2.949 -8.059 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.967 -3.046 -7.766 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.380 -2.500 -9.119 1.00 0.00 O ATOM 0 H ASP A 38 10.218 -3.693 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 38 10.060 -1.410 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.113 -4.301 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.827 -3.703 -7.540 1.00 0.00 H new ATOM 586 N LYS A 39 7.166 -2.667 -5.371 1.00 0.00 N ATOM 587 CA LYS A 39 5.703 -2.377 -5.375 1.00 0.00 C ATOM 588 C LYS A 39 5.400 -1.236 -4.409 1.00 0.00 C ATOM 589 O LYS A 39 4.784 -0.254 -4.769 1.00 0.00 O ATOM 590 CB LYS A 39 4.955 -3.611 -4.907 1.00 0.00 C ATOM 591 CG LYS A 39 4.530 -4.452 -6.114 1.00 0.00 C ATOM 592 CD LYS A 39 3.153 -3.993 -6.599 1.00 0.00 C ATOM 593 CE LYS A 39 2.974 -4.377 -8.069 1.00 0.00 C ATOM 594 NZ LYS A 39 1.978 -5.480 -8.177 1.00 0.00 N ATOM 0 H LYS A 39 7.449 -3.458 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 39 5.394 -2.100 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.589 -4.202 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.078 -3.318 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.261 -4.352 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.498 -5.507 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.371 -4.453 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.055 -2.914 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.639 -3.513 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.928 -4.691 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.856 -5.741 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.315 -6.306 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.067 -5.164 -7.788 1.00 0.00 H new ATOM 608 N VAL A 40 5.841 -1.348 -3.189 1.00 0.00 N ATOM 609 CA VAL A 40 5.582 -0.255 -2.221 1.00 0.00 C ATOM 610 C VAL A 40 6.328 0.977 -2.715 1.00 0.00 C ATOM 611 O VAL A 40 6.073 2.089 -2.298 1.00 0.00 O ATOM 612 CB VAL A 40 6.099 -0.654 -0.835 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.133 0.577 0.070 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.168 -1.707 -0.230 1.00 0.00 C ATOM 0 H VAL A 40 6.365 -2.143 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 40 4.513 -0.054 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 40 7.104 -1.065 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.501 0.294 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.795 1.328 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.128 0.989 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.534 -1.993 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.163 -1.295 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.143 -2.585 -0.876 1.00 0.00 H new ATOM 624 N ARG A 41 7.236 0.780 -3.635 1.00 0.00 N ATOM 625 CA ARG A 41 7.987 1.935 -4.195 1.00 0.00 C ATOM 626 C ARG A 41 7.047 2.721 -5.107 1.00 0.00 C ATOM 627 O ARG A 41 6.743 3.873 -4.868 1.00 0.00 O ATOM 628 CB ARG A 41 9.185 1.428 -5.003 1.00 0.00 C ATOM 629 CG ARG A 41 9.729 2.555 -5.885 1.00 0.00 C ATOM 630 CD ARG A 41 11.110 2.166 -6.415 1.00 0.00 C ATOM 631 NE ARG A 41 11.586 3.203 -7.372 1.00 0.00 N ATOM 632 CZ ARG A 41 12.866 3.387 -7.552 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.660 3.489 -6.521 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.350 3.467 -8.761 1.00 0.00 N ATOM 0 H ARG A 41 7.487 -0.130 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 41 8.351 2.573 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.965 1.072 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.886 0.582 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.048 2.742 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.795 3.480 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.814 2.068 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.061 1.195 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 41 10.912 3.770 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.280 3.425 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.660 3.633 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.728 3.386 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.350 3.611 -8.902 1.00 0.00 H new ATOM 648 N GLU A 42 6.569 2.090 -6.146 1.00 0.00 N ATOM 649 CA GLU A 42 5.627 2.782 -7.069 1.00 0.00 C ATOM 650 C GLU A 42 4.375 3.153 -6.284 1.00 0.00 C ATOM 651 O GLU A 42 3.829 4.230 -6.422 1.00 0.00 O ATOM 652 CB GLU A 42 5.258 1.845 -8.222 1.00 0.00 C ATOM 653 CG GLU A 42 6.367 1.874 -9.278 1.00 0.00 C ATOM 654 CD GLU A 42 5.771 2.262 -10.633 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.642 1.880 -10.892 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.456 2.933 -11.388 1.00 0.00 O ATOM 0 H GLU A 42 6.791 1.126 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 42 6.090 3.679 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.122 0.830 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.311 2.152 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.139 2.588 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.845 0.897 -9.345 1.00 0.00 H new ATOM 663 N ILE A 43 3.927 2.259 -5.449 1.00 0.00 N ATOM 664 CA ILE A 43 2.720 2.530 -4.629 1.00 0.00 C ATOM 665 C ILE A 43 2.809 3.944 -4.049 1.00 0.00 C ATOM 666 O ILE A 43 1.917 4.752 -4.220 1.00 0.00 O ATOM 667 CB ILE A 43 2.660 1.499 -3.499 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.104 0.184 -4.050 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.750 2.003 -2.375 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.653 0.385 -4.488 1.00 0.00 C ATOM 0 H ILE A 43 4.351 1.344 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 43 1.820 2.457 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 43 3.663 1.343 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.706 -0.152 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.160 -0.594 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.714 1.262 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.142 2.941 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.745 2.165 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.258 -0.552 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.055 0.701 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.610 1.150 -5.263 1.00 0.00 H new ATOM 682 N ALA A 44 3.880 4.254 -3.370 1.00 0.00 N ATOM 683 CA ALA A 44 4.015 5.619 -2.792 1.00 0.00 C ATOM 684 C ALA A 44 3.966 6.642 -3.929 1.00 0.00 C ATOM 685 O ALA A 44 3.323 7.669 -3.827 1.00 0.00 O ATOM 686 CB ALA A 44 5.351 5.735 -2.056 1.00 0.00 C ATOM 0 H ALA A 44 4.662 3.624 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 44 3.203 5.806 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.448 6.735 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.390 4.997 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.168 5.555 -2.755 1.00 0.00 H new ATOM 692 N GLU A 45 4.628 6.362 -5.020 1.00 0.00 N ATOM 693 CA GLU A 45 4.606 7.312 -6.168 1.00 0.00 C ATOM 694 C GLU A 45 3.163 7.500 -6.626 1.00 0.00 C ATOM 695 O GLU A 45 2.751 8.578 -7.004 1.00 0.00 O ATOM 696 CB GLU A 45 5.442 6.749 -7.320 1.00 0.00 C ATOM 697 CG GLU A 45 6.930 6.936 -7.015 1.00 0.00 C ATOM 698 CD GLU A 45 7.623 7.565 -8.224 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.495 7.018 -9.308 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.272 8.583 -8.048 1.00 0.00 O ATOM 0 H GLU A 45 5.182 5.518 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 45 5.024 8.271 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.220 5.691 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.185 7.255 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.055 7.572 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.387 5.975 -6.779 1.00 0.00 H new ATOM 707 N LEU A 46 2.393 6.453 -6.584 1.00 0.00 N ATOM 708 CA LEU A 46 0.967 6.552 -7.004 1.00 0.00 C ATOM 709 C LEU A 46 0.222 7.463 -6.028 1.00 0.00 C ATOM 710 O LEU A 46 -0.258 8.517 -6.392 1.00 0.00 O ATOM 711 CB LEU A 46 0.335 5.159 -6.992 1.00 0.00 C ATOM 712 CG LEU A 46 0.501 4.514 -8.369 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.214 3.014 -8.268 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.481 5.155 -9.353 1.00 0.00 C ATOM 0 H LEU A 46 2.689 5.527 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 46 0.905 6.965 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.807 4.540 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.722 5.229 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 46 1.521 4.666 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.332 2.554 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.912 2.557 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.806 2.862 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.364 4.696 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.501 5.002 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.278 6.224 -9.425 1.00 0.00 H new ATOM 726 N LYS A 47 0.128 7.066 -4.786 1.00 0.00 N ATOM 727 CA LYS A 47 -0.577 7.907 -3.772 1.00 0.00 C ATOM 728 C LYS A 47 0.328 9.064 -3.313 1.00 0.00 C ATOM 729 O LYS A 47 0.071 9.693 -2.308 1.00 0.00 O ATOM 730 CB LYS A 47 -0.940 7.045 -2.560 1.00 0.00 C ATOM 731 CG LYS A 47 -1.569 7.921 -1.473 1.00 0.00 C ATOM 732 CD LYS A 47 -2.817 7.232 -0.919 1.00 0.00 C ATOM 733 CE LYS A 47 -2.859 7.394 0.603 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.835 8.460 0.963 1.00 0.00 N ATOM 0 H LYS A 47 0.511 6.191 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.480 8.318 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.636 6.260 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.049 6.552 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.851 8.095 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.831 8.896 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.712 7.664 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.808 6.174 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.144 6.452 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.869 7.651 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.863 8.570 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.544 9.358 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.780 8.197 0.617 1.00 0.00 H new ATOM 748 N MET A 48 1.385 9.345 -4.025 1.00 0.00 N ATOM 749 CA MET A 48 2.304 10.447 -3.607 1.00 0.00 C ATOM 750 C MET A 48 1.621 11.825 -3.663 1.00 0.00 C ATOM 751 O MET A 48 1.893 12.658 -2.824 1.00 0.00 O ATOM 752 CB MET A 48 3.531 10.454 -4.518 1.00 0.00 C ATOM 753 CG MET A 48 4.745 10.956 -3.735 1.00 0.00 C ATOM 754 SD MET A 48 4.773 12.765 -3.762 1.00 0.00 S ATOM 755 CE MET A 48 6.137 12.986 -2.597 1.00 0.00 C ATOM 0 H MET A 48 1.654 8.859 -4.880 1.00 0.00 H new ATOM 0 HA MET A 48 2.594 10.263 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.720 9.450 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.352 11.094 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.702 10.597 -2.707 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.662 10.561 -4.172 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.330 14.050 -2.461 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.873 12.540 -1.638 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.032 12.502 -2.988 1.00 0.00 H new ATOM 765 N PRO A 49 0.758 12.055 -4.625 1.00 0.00 N ATOM 766 CA PRO A 49 0.071 13.348 -4.726 1.00 0.00 C ATOM 767 C PRO A 49 -1.025 13.434 -3.661 1.00 0.00 C ATOM 768 O PRO A 49 -2.129 12.966 -3.858 1.00 0.00 O ATOM 769 CB PRO A 49 -0.505 13.351 -6.143 1.00 0.00 C ATOM 770 CG PRO A 49 -0.593 11.872 -6.579 1.00 0.00 C ATOM 771 CD PRO A 49 0.381 11.089 -5.677 1.00 0.00 C ATOM 0 HA PRO A 49 0.722 14.206 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.488 13.821 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.133 13.919 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.610 11.496 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.323 11.761 -7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.093 10.204 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.253 10.747 -6.235 1.00 0.00 H new ATOM 779 N ASP A 50 -0.702 14.026 -2.533 1.00 0.00 N ATOM 780 CA ASP A 50 -1.681 14.170 -1.409 1.00 0.00 C ATOM 781 C ASP A 50 -1.553 12.991 -0.434 1.00 0.00 C ATOM 782 O ASP A 50 -2.487 12.661 0.270 1.00 0.00 O ATOM 783 CB ASP A 50 -3.117 14.237 -1.944 1.00 0.00 C ATOM 784 CG ASP A 50 -3.174 15.199 -3.134 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.336 16.084 -3.195 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.055 15.034 -3.961 1.00 0.00 O ATOM 0 H ASP A 50 0.218 14.423 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.456 15.098 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.450 13.245 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.794 14.573 -1.158 1.00 0.00 H new ATOM 791 N LEU A 51 -0.408 12.357 -0.371 1.00 0.00 N ATOM 792 CA LEU A 51 -0.253 11.214 0.580 1.00 0.00 C ATOM 793 C LEU A 51 -0.287 11.737 2.016 1.00 0.00 C ATOM 794 O LEU A 51 -0.505 12.908 2.258 1.00 0.00 O ATOM 795 CB LEU A 51 1.085 10.496 0.346 1.00 0.00 C ATOM 796 CG LEU A 51 2.201 11.509 0.072 1.00 0.00 C ATOM 797 CD1 LEU A 51 2.208 12.586 1.157 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.547 10.783 0.070 1.00 0.00 C ATOM 0 H LEU A 51 0.416 12.578 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.071 10.512 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.339 9.895 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.994 9.811 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 51 2.031 11.980 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.005 13.302 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.248 13.103 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.376 12.122 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.346 11.498 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.709 10.314 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.547 10.019 -0.707 1.00 0.00 H new ATOM 810 N ASN A 52 -0.052 10.881 2.971 1.00 0.00 N ATOM 811 CA ASN A 52 -0.048 11.327 4.393 1.00 0.00 C ATOM 812 C ASN A 52 1.394 11.316 4.901 1.00 0.00 C ATOM 813 O ASN A 52 1.717 11.909 5.910 1.00 0.00 O ATOM 814 CB ASN A 52 -0.895 10.377 5.251 1.00 0.00 C ATOM 815 CG ASN A 52 -1.866 9.590 4.365 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.863 10.119 3.918 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.611 8.339 4.091 1.00 0.00 N ATOM 0 H ASN A 52 0.138 9.889 2.828 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.469 12.330 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.247 9.689 5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.451 10.946 5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.250 7.806 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.773 7.895 4.467 1.00 0.00 H new ATOM 824 N ALA A 53 2.264 10.642 4.196 1.00 0.00 N ATOM 825 CA ALA A 53 3.692 10.579 4.615 1.00 0.00 C ATOM 826 C ALA A 53 4.287 11.987 4.634 1.00 0.00 C ATOM 827 O ALA A 53 3.586 12.973 4.536 1.00 0.00 O ATOM 828 CB ALA A 53 4.470 9.725 3.616 1.00 0.00 C ATOM 0 H ALA A 53 2.043 10.129 3.342 1.00 0.00 H new ATOM 0 HA ALA A 53 3.757 10.143 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.516 9.675 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.051 8.719 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.399 10.170 2.624 1.00 0.00 H new ATOM 834 N ALA A 54 5.582 12.081 4.749 1.00 0.00 N ATOM 835 CA ALA A 54 6.237 13.420 4.765 1.00 0.00 C ATOM 836 C ALA A 54 7.454 13.399 3.833 1.00 0.00 C ATOM 837 O ALA A 54 8.187 14.361 3.733 1.00 0.00 O ATOM 838 CB ALA A 54 6.690 13.751 6.188 1.00 0.00 C ATOM 0 H ALA A 54 6.217 11.287 4.833 1.00 0.00 H new ATOM 0 HA ALA A 54 5.529 14.177 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.169 14.730 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.825 13.762 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.399 12.997 6.529 1.00 0.00 H new ATOM 844 N SER A 55 7.672 12.306 3.151 1.00 0.00 N ATOM 845 CA SER A 55 8.836 12.219 2.229 1.00 0.00 C ATOM 846 C SER A 55 8.872 10.827 1.594 1.00 0.00 C ATOM 847 O SER A 55 8.263 9.897 2.084 1.00 0.00 O ATOM 848 CB SER A 55 10.126 12.458 3.014 1.00 0.00 C ATOM 849 OG SER A 55 10.518 13.817 2.871 1.00 0.00 O ATOM 0 H SER A 55 7.091 11.469 3.195 1.00 0.00 H new ATOM 0 HA SER A 55 8.744 12.974 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.974 12.220 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.915 11.800 2.649 1.00 0.00 H new ATOM 0 HG SER A 55 9.872 14.394 3.330 1.00 0.00 H new ATOM 855 N ILE A 56 9.579 10.677 0.510 1.00 0.00 N ATOM 856 CA ILE A 56 9.651 9.347 -0.157 1.00 0.00 C ATOM 857 C ILE A 56 9.911 8.259 0.888 1.00 0.00 C ATOM 858 O ILE A 56 9.040 7.478 1.216 1.00 0.00 O ATOM 859 CB ILE A 56 10.788 9.349 -1.179 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.544 10.453 -2.212 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.846 7.994 -1.886 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.266 10.149 -2.993 1.00 0.00 C ATOM 0 H ILE A 56 10.111 11.419 0.056 1.00 0.00 H new ATOM 0 HA ILE A 56 8.706 9.147 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 56 11.733 9.531 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.457 11.419 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.392 10.521 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.657 7.998 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.021 7.208 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.901 7.809 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.093 10.935 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.371 9.192 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.422 10.103 -2.305 1.00 0.00 H new ATOM 874 N GLU A 57 11.106 8.200 1.406 1.00 0.00 N ATOM 875 CA GLU A 57 11.432 7.160 2.424 1.00 0.00 C ATOM 876 C GLU A 57 10.415 7.207 3.570 1.00 0.00 C ATOM 877 O GLU A 57 10.081 6.197 4.157 1.00 0.00 O ATOM 878 CB GLU A 57 12.834 7.418 2.976 1.00 0.00 C ATOM 879 CG GLU A 57 13.768 6.281 2.556 1.00 0.00 C ATOM 880 CD GLU A 57 14.966 6.228 3.505 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.822 6.666 4.634 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.008 5.750 3.087 1.00 0.00 O ATOM 0 H GLU A 57 11.874 8.828 1.168 1.00 0.00 H new ATOM 0 HA GLU A 57 11.393 6.176 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.213 8.370 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.800 7.492 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.233 5.331 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.108 6.435 1.532 1.00 0.00 H new ATOM 889 N ALA A 58 9.925 8.371 3.896 1.00 0.00 N ATOM 890 CA ALA A 58 8.938 8.476 5.009 1.00 0.00 C ATOM 891 C ALA A 58 7.648 7.752 4.622 1.00 0.00 C ATOM 892 O ALA A 58 7.046 7.063 5.424 1.00 0.00 O ATOM 893 CB ALA A 58 8.630 9.951 5.282 1.00 0.00 C ATOM 0 H ALA A 58 10.164 9.252 3.442 1.00 0.00 H new ATOM 0 HA ALA A 58 9.356 8.018 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.909 10.028 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.548 10.469 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.214 10.408 4.384 1.00 0.00 H new ATOM 899 N ALA A 59 7.214 7.901 3.401 1.00 0.00 N ATOM 900 CA ALA A 59 5.963 7.220 2.974 1.00 0.00 C ATOM 901 C ALA A 59 6.138 5.708 3.088 1.00 0.00 C ATOM 902 O ALA A 59 5.306 5.015 3.634 1.00 0.00 O ATOM 903 CB ALA A 59 5.641 7.591 1.526 1.00 0.00 C ATOM 0 H ALA A 59 7.671 8.464 2.683 1.00 0.00 H new ATOM 0 HA ALA A 59 5.143 7.539 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.724 7.090 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.509 8.670 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.461 7.278 0.879 1.00 0.00 H new ATOM 909 N MET A 60 7.217 5.193 2.577 1.00 0.00 N ATOM 910 CA MET A 60 7.451 3.724 2.652 1.00 0.00 C ATOM 911 C MET A 60 7.480 3.298 4.120 1.00 0.00 C ATOM 912 O MET A 60 7.166 2.174 4.457 1.00 0.00 O ATOM 913 CB MET A 60 8.778 3.367 1.968 1.00 0.00 C ATOM 914 CG MET A 60 9.961 3.824 2.824 1.00 0.00 C ATOM 915 SD MET A 60 11.080 2.428 3.100 1.00 0.00 S ATOM 916 CE MET A 60 11.448 2.085 1.363 1.00 0.00 C ATOM 0 H MET A 60 7.950 5.726 2.109 1.00 0.00 H new ATOM 0 HA MET A 60 6.647 3.198 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.833 2.290 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.827 3.840 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.491 4.636 2.327 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.605 4.213 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.477 1.736 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.770 1.317 0.992 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.320 2.995 0.777 1.00 0.00 H new ATOM 926 N ARG A 61 7.842 4.192 5.001 1.00 0.00 N ATOM 927 CA ARG A 61 7.873 3.839 6.446 1.00 0.00 C ATOM 928 C ARG A 61 6.446 3.547 6.910 1.00 0.00 C ATOM 929 O ARG A 61 6.122 2.443 7.301 1.00 0.00 O ATOM 930 CB ARG A 61 8.446 5.013 7.245 1.00 0.00 C ATOM 931 CG ARG A 61 9.657 4.540 8.051 1.00 0.00 C ATOM 932 CD ARG A 61 9.224 3.440 9.021 1.00 0.00 C ATOM 933 NE ARG A 61 9.871 2.155 8.636 1.00 0.00 N ATOM 934 CZ ARG A 61 11.171 2.061 8.617 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.880 2.623 9.557 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.764 1.405 7.656 1.00 0.00 N ATOM 0 H ARG A 61 8.117 5.149 4.781 1.00 0.00 H new ATOM 0 HA ARG A 61 8.500 2.961 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.737 5.818 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.686 5.417 7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.430 4.165 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.090 5.375 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.503 3.709 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.139 3.332 9.005 1.00 0.00 H new ATOM 0 HE ARG A 61 9.297 1.349 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.417 3.136 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.897 2.549 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.210 0.966 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.781 1.331 7.641 1.00 0.00 H new ATOM 950 N MET A 62 5.586 4.526 6.857 1.00 0.00 N ATOM 951 CA MET A 62 4.174 4.304 7.279 1.00 0.00 C ATOM 952 C MET A 62 3.476 3.412 6.250 1.00 0.00 C ATOM 953 O MET A 62 2.629 2.608 6.581 1.00 0.00 O ATOM 954 CB MET A 62 3.449 5.650 7.357 1.00 0.00 C ATOM 955 CG MET A 62 3.049 5.940 8.805 1.00 0.00 C ATOM 956 SD MET A 62 3.353 7.683 9.184 1.00 0.00 S ATOM 957 CE MET A 62 2.798 8.368 7.603 1.00 0.00 C ATOM 0 H MET A 62 5.800 5.471 6.539 1.00 0.00 H new ATOM 0 HA MET A 62 4.155 3.823 8.257 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.095 6.444 6.983 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.563 5.634 6.722 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.996 5.703 8.956 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.619 5.305 9.484 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.495 9.406 7.742 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.613 8.322 6.880 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.951 7.790 7.233 1.00 0.00 H new ATOM 967 N ILE A 63 3.826 3.559 5.001 1.00 0.00 N ATOM 968 CA ILE A 63 3.188 2.733 3.937 1.00 0.00 C ATOM 969 C ILE A 63 3.407 1.244 4.233 1.00 0.00 C ATOM 970 O ILE A 63 2.489 0.453 4.179 1.00 0.00 O ATOM 971 CB ILE A 63 3.807 3.096 2.580 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.207 4.414 2.089 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.510 1.997 1.557 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.704 4.240 1.863 1.00 0.00 C ATOM 0 H ILE A 63 4.530 4.219 4.671 1.00 0.00 H new ATOM 0 HA ILE A 63 2.116 2.931 3.912 1.00 0.00 H new ATOM 0 HB ILE A 63 4.886 3.197 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.386 5.202 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.691 4.723 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.953 2.264 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.933 1.054 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.432 1.890 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.277 5.180 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.536 3.465 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.226 3.951 2.799 1.00 0.00 H new ATOM 986 N GLU A 64 4.615 0.856 4.541 1.00 0.00 N ATOM 987 CA GLU A 64 4.881 -0.582 4.833 1.00 0.00 C ATOM 988 C GLU A 64 4.063 -1.022 6.050 1.00 0.00 C ATOM 989 O GLU A 64 3.237 -1.909 5.969 1.00 0.00 O ATOM 990 CB GLU A 64 6.371 -0.776 5.123 1.00 0.00 C ATOM 991 CG GLU A 64 7.139 -0.879 3.805 1.00 0.00 C ATOM 992 CD GLU A 64 8.641 -0.755 4.074 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.068 -1.181 5.136 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.336 -0.237 3.217 1.00 0.00 O ATOM 0 H GLU A 64 5.427 1.470 4.603 1.00 0.00 H new ATOM 0 HA GLU A 64 4.595 -1.184 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.749 0.059 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.522 -1.678 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.924 -1.831 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.816 -0.094 3.122 1.00 0.00 H new ATOM 1001 N GLY A 65 4.290 -0.410 7.181 1.00 0.00 N ATOM 1002 CA GLY A 65 3.530 -0.795 8.403 1.00 0.00 C ATOM 1003 C GLY A 65 2.038 -0.900 8.077 1.00 0.00 C ATOM 1004 O GLY A 65 1.302 -1.617 8.724 1.00 0.00 O ATOM 0 H GLY A 65 4.969 0.340 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.896 -1.748 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.688 -0.056 9.188 1.00 0.00 H new ATOM 1008 N THR A 66 1.582 -0.188 7.082 1.00 0.00 N ATOM 1009 CA THR A 66 0.136 -0.251 6.726 1.00 0.00 C ATOM 1010 C THR A 66 -0.162 -1.561 5.991 1.00 0.00 C ATOM 1011 O THR A 66 -1.126 -2.241 6.282 1.00 0.00 O ATOM 1012 CB THR A 66 -0.222 0.928 5.819 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.050 2.144 6.536 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.678 0.799 5.367 1.00 0.00 C ATOM 0 H THR A 66 2.147 0.433 6.502 1.00 0.00 H new ATOM 0 HA THR A 66 -0.457 -0.204 7.639 1.00 0.00 H new ATOM 0 HB THR A 66 0.429 0.928 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.903 2.289 6.711 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.934 1.639 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.807 -0.134 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.331 0.800 6.240 1.00 0.00 H new ATOM 1022 N ALA A 67 0.656 -1.919 5.040 1.00 0.00 N ATOM 1023 CA ALA A 67 0.415 -3.182 4.289 1.00 0.00 C ATOM 1024 C ALA A 67 0.282 -4.345 5.272 1.00 0.00 C ATOM 1025 O ALA A 67 -0.577 -5.193 5.133 1.00 0.00 O ATOM 1026 CB ALA A 67 1.586 -3.447 3.346 1.00 0.00 C ATOM 0 H ALA A 67 1.480 -1.392 4.751 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.504 -3.088 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.409 -4.372 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.681 -2.620 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.505 -3.539 3.924 1.00 0.00 H new ATOM 1032 N ARG A 68 1.123 -4.392 6.269 1.00 0.00 N ATOM 1033 CA ARG A 68 1.033 -5.503 7.256 1.00 0.00 C ATOM 1034 C ARG A 68 -0.363 -5.500 7.880 1.00 0.00 C ATOM 1035 O ARG A 68 -0.823 -6.492 8.409 1.00 0.00 O ATOM 1036 CB ARG A 68 2.085 -5.303 8.349 1.00 0.00 C ATOM 1037 CG ARG A 68 3.452 -5.756 7.828 1.00 0.00 C ATOM 1038 CD ARG A 68 4.464 -5.748 8.974 1.00 0.00 C ATOM 1039 NE ARG A 68 5.345 -6.946 8.869 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.158 -7.964 9.663 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.499 -7.884 10.919 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.631 -9.065 9.199 1.00 0.00 N ATOM 0 H ARG A 68 1.864 -3.713 6.442 1.00 0.00 H new ATOM 0 HA ARG A 68 1.212 -6.456 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.125 -4.254 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.815 -5.873 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.377 -6.757 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.786 -5.094 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.064 -4.838 8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.944 -5.749 9.932 1.00 0.00 H new ATOM 0 HE ARG A 68 6.094 -6.970 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.912 -7.025 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.352 -8.681 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.366 -9.129 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.485 -9.861 9.819 1.00 0.00 H new ATOM 1056 N SER A 69 -1.041 -4.386 7.820 1.00 0.00 N ATOM 1057 CA SER A 69 -2.408 -4.311 8.407 1.00 0.00 C ATOM 1058 C SER A 69 -3.415 -4.963 7.452 1.00 0.00 C ATOM 1059 O SER A 69 -4.573 -5.126 7.780 1.00 0.00 O ATOM 1060 CB SER A 69 -2.788 -2.847 8.623 1.00 0.00 C ATOM 1061 OG SER A 69 -1.633 -2.112 9.008 1.00 0.00 O ATOM 0 H SER A 69 -0.706 -3.524 7.389 1.00 0.00 H new ATOM 0 HA SER A 69 -2.421 -4.837 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.210 -2.430 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.556 -2.769 9.393 1.00 0.00 H new ATOM 0 HG SER A 69 -1.874 -1.172 9.145 1.00 0.00 H new ATOM 1067 N MET A 70 -2.989 -5.328 6.273 1.00 0.00 N ATOM 1068 CA MET A 70 -3.934 -5.959 5.308 1.00 0.00 C ATOM 1069 C MET A 70 -3.423 -7.349 4.919 1.00 0.00 C ATOM 1070 O MET A 70 -3.682 -8.327 5.593 1.00 0.00 O ATOM 1071 CB MET A 70 -4.048 -5.083 4.058 1.00 0.00 C ATOM 1072 CG MET A 70 -5.302 -4.213 4.154 1.00 0.00 C ATOM 1073 SD MET A 70 -5.745 -3.607 2.508 1.00 0.00 S ATOM 1074 CE MET A 70 -7.534 -3.835 2.654 1.00 0.00 C ATOM 0 H MET A 70 -2.032 -5.217 5.938 1.00 0.00 H new ATOM 0 HA MET A 70 -4.915 -6.055 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.163 -4.454 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.094 -5.708 3.166 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.126 -4.790 4.575 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.124 -3.374 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.000 -3.688 1.680 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.744 -4.844 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.937 -3.110 3.362 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.700 -7.448 3.837 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.176 -8.774 3.408 1.00 0.00 C ATOM 1086 C GLY A 71 -1.075 -8.568 2.369 1.00 0.00 C ATOM 1087 O GLY A 71 -1.070 -9.184 1.320 1.00 0.00 O ATOM 0 H GLY A 71 -2.450 -6.666 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.784 -9.319 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.981 -9.378 2.988 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.141 -7.703 2.653 1.00 0.00 N ATOM 1092 CA ILE A 72 0.955 -7.455 1.678 1.00 0.00 C ATOM 1093 C ILE A 72 2.262 -7.214 2.434 1.00 0.00 C ATOM 1094 O ILE A 72 2.454 -6.190 3.058 1.00 0.00 O ATOM 1095 CB ILE A 72 0.618 -6.223 0.834 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.586 -6.535 -0.060 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.818 -5.862 -0.042 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.874 -6.122 0.655 1.00 0.00 C ATOM 0 H ILE A 72 -0.090 -7.160 3.515 1.00 0.00 H new ATOM 0 HA ILE A 72 1.066 -8.322 1.026 1.00 0.00 H new ATOM 0 HB ILE A 72 0.381 -5.386 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.497 -6.003 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.613 -7.599 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.579 -4.985 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.678 -5.644 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.054 -6.699 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.731 -6.344 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.964 -6.674 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.846 -5.053 0.866 1.00 0.00 H new ATOM 1110 N VAL A 73 3.158 -8.162 2.387 1.00 0.00 N ATOM 1111 CA VAL A 73 4.454 -8.007 3.105 1.00 0.00 C ATOM 1112 C VAL A 73 5.499 -7.402 2.167 1.00 0.00 C ATOM 1113 O VAL A 73 5.666 -7.838 1.045 1.00 0.00 O ATOM 1114 CB VAL A 73 4.932 -9.380 3.579 1.00 0.00 C ATOM 1115 CG1 VAL A 73 5.991 -9.205 4.671 1.00 0.00 C ATOM 1116 CG2 VAL A 73 3.744 -10.160 4.143 1.00 0.00 C ATOM 0 H VAL A 73 3.047 -9.040 1.880 1.00 0.00 H new ATOM 0 HA VAL A 73 4.317 -7.346 3.961 1.00 0.00 H new ATOM 0 HB VAL A 73 5.364 -9.925 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.331 -10.184 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.836 -8.645 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.560 -8.661 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.080 -11.140 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.315 -9.613 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.989 -10.284 3.367 1.00 0.00 H new ATOM 1126 N VAL A 74 6.207 -6.405 2.619 1.00 0.00 N ATOM 1127 CA VAL A 74 7.245 -5.775 1.757 1.00 0.00 C ATOM 1128 C VAL A 74 8.604 -6.408 2.061 1.00 0.00 C ATOM 1129 O VAL A 74 9.061 -6.407 3.187 1.00 0.00 O ATOM 1130 CB VAL A 74 7.307 -4.272 2.039 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.791 -3.538 0.787 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.913 -3.765 2.417 1.00 0.00 C ATOM 0 H VAL A 74 6.111 -5.999 3.550 1.00 0.00 H new ATOM 0 HA VAL A 74 6.992 -5.933 0.709 1.00 0.00 H new ATOM 0 HB VAL A 74 7.998 -4.086 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.835 -2.467 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.783 -3.898 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.100 -3.725 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.957 -2.695 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.223 -3.952 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.565 -4.287 3.308 1.00 0.00 H new ATOM 1142 N GLU A 75 9.256 -6.949 1.069 1.00 0.00 N ATOM 1143 CA GLU A 75 10.584 -7.581 1.310 1.00 0.00 C ATOM 1144 C GLU A 75 11.693 -6.654 0.804 1.00 0.00 C ATOM 1145 O GLU A 75 11.490 -5.861 -0.094 1.00 0.00 O ATOM 1146 CB GLU A 75 10.660 -8.916 0.567 1.00 0.00 C ATOM 1147 CG GLU A 75 11.404 -9.939 1.427 1.00 0.00 C ATOM 1148 CD GLU A 75 12.664 -10.406 0.697 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.107 -9.698 -0.193 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.166 -11.466 1.038 1.00 0.00 O ATOM 0 H GLU A 75 8.928 -6.981 0.104 1.00 0.00 H new ATOM 0 HA GLU A 75 10.712 -7.752 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.656 -9.276 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.173 -8.785 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.671 -9.496 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.757 -10.791 1.638 1.00 0.00 H new ATOM 1157 N ASP A 76 12.861 -6.748 1.376 1.00 0.00 N ATOM 1158 CA ASP A 76 13.983 -5.873 0.932 1.00 0.00 C ATOM 1159 C ASP A 76 14.531 -6.383 -0.402 1.00 0.00 C ATOM 1160 O ASP A 76 15.498 -5.813 -0.879 1.00 0.00 O ATOM 1161 CB ASP A 76 15.094 -5.897 1.983 1.00 0.00 C ATOM 1162 CG ASP A 76 15.532 -7.341 2.232 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.073 -7.942 1.318 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.320 -7.823 3.333 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.973 -7.333 -0.925 1.00 0.00 O ATOM 0 H ASP A 76 13.088 -7.393 2.133 1.00 0.00 H new ATOM 0 HA ASP A 76 13.621 -4.852 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.942 -5.302 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.740 -5.448 2.911 1.00 0.00 H new