USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.0658 (180deg=0.0301) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.621 (180deg=-1.31) USER MOD Single : A 48 MET CE :methyl -174:sc= -0.0746 (180deg=-0.191) USER MOD Single : A 52 ASN : amide:sc= -0.858 X(o=-0.86,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -160:sc= -0.163 (180deg=-1.12) USER MOD Single : A 66 THR OG1 : rot 114:sc= 1.13 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -176:sc= -4.33! (180deg=-4.41!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.879 6.686 0.067 1.00 0.00 N ATOM 124 CA PRO A 8 -9.039 5.476 0.892 1.00 0.00 C ATOM 125 C PRO A 8 -7.744 5.177 1.655 1.00 0.00 C ATOM 126 O PRO A 8 -6.748 5.846 1.465 1.00 0.00 O ATOM 127 CB PRO A 8 -9.340 4.380 -0.134 1.00 0.00 C ATOM 128 CG PRO A 8 -8.785 4.883 -1.486 1.00 0.00 C ATOM 129 CD PRO A 8 -8.659 6.413 -1.369 1.00 0.00 C ATOM 0 HA PRO A 8 -9.820 5.568 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.870 3.440 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.412 4.193 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.817 4.430 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.452 4.611 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.677 6.758 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.397 6.922 -1.989 1.00 0.00 H new ATOM 137 N PRO A 9 -7.798 4.178 2.498 1.00 0.00 N ATOM 138 CA PRO A 9 -6.641 3.761 3.308 1.00 0.00 C ATOM 139 C PRO A 9 -5.652 2.965 2.452 1.00 0.00 C ATOM 140 O PRO A 9 -6.025 2.320 1.494 1.00 0.00 O ATOM 141 CB PRO A 9 -7.260 2.879 4.395 1.00 0.00 C ATOM 142 CG PRO A 9 -8.615 2.385 3.836 1.00 0.00 C ATOM 143 CD PRO A 9 -9.015 3.369 2.721 1.00 0.00 C ATOM 0 HA PRO A 9 -6.080 4.600 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.608 2.038 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.402 3.442 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.527 1.371 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.372 2.359 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.315 2.843 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.857 3.992 3.022 1.00 0.00 H new ATOM 151 N ALA A 10 -4.394 3.008 2.790 1.00 0.00 N ATOM 152 CA ALA A 10 -3.384 2.256 1.993 1.00 0.00 C ATOM 153 C ALA A 10 -3.584 0.753 2.204 1.00 0.00 C ATOM 154 O ALA A 10 -2.944 -0.062 1.571 1.00 0.00 O ATOM 155 CB ALA A 10 -1.979 2.654 2.446 1.00 0.00 C ATOM 0 H ALA A 10 -4.021 3.531 3.583 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.505 2.493 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.240 2.104 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.837 3.724 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.857 2.418 3.503 1.00 0.00 H new ATOM 161 N ALA A 11 -4.464 0.377 3.091 1.00 0.00 N ATOM 162 CA ALA A 11 -4.696 -1.074 3.338 1.00 0.00 C ATOM 163 C ALA A 11 -5.769 -1.588 2.374 1.00 0.00 C ATOM 164 O ALA A 11 -6.245 -2.698 2.497 1.00 0.00 O ATOM 165 CB ALA A 11 -5.168 -1.274 4.779 1.00 0.00 C ATOM 0 H ALA A 11 -5.031 1.010 3.654 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.769 -1.625 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.338 -2.335 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.406 -0.905 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.096 -0.725 4.937 1.00 0.00 H new ATOM 171 N VAL A 12 -6.161 -0.786 1.421 1.00 0.00 N ATOM 172 CA VAL A 12 -7.207 -1.228 0.464 1.00 0.00 C ATOM 173 C VAL A 12 -6.689 -1.107 -0.976 1.00 0.00 C ATOM 174 O VAL A 12 -6.895 -1.983 -1.793 1.00 0.00 O ATOM 175 CB VAL A 12 -8.452 -0.355 0.653 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.306 0.959 -0.121 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.673 -1.112 0.144 1.00 0.00 C ATOM 0 H VAL A 12 -5.800 0.155 1.266 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.460 -2.272 0.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.569 -0.125 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.199 1.568 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.434 1.501 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.181 0.744 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.563 -0.497 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.544 -1.342 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.787 -2.039 0.706 1.00 0.00 H new ATOM 187 N LEU A 13 -6.027 -0.028 -1.295 1.00 0.00 N ATOM 188 CA LEU A 13 -5.507 0.144 -2.682 1.00 0.00 C ATOM 189 C LEU A 13 -4.285 -0.752 -2.891 1.00 0.00 C ATOM 190 O LEU A 13 -4.214 -1.508 -3.840 1.00 0.00 O ATOM 191 CB LEU A 13 -5.109 1.604 -2.902 1.00 0.00 C ATOM 192 CG LEU A 13 -6.318 2.510 -2.667 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.942 3.959 -2.989 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.470 2.069 -3.572 1.00 0.00 C ATOM 0 H LEU A 13 -5.824 0.741 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.285 -0.134 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.301 1.877 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.733 1.739 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.627 2.439 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.804 4.604 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.122 4.274 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.632 4.031 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.332 2.715 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.161 2.139 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.739 1.038 -3.342 1.00 0.00 H new ATOM 206 N LEU A 14 -3.323 -0.671 -2.015 1.00 0.00 N ATOM 207 CA LEU A 14 -2.104 -1.516 -2.166 1.00 0.00 C ATOM 208 C LEU A 14 -2.515 -2.940 -2.549 1.00 0.00 C ATOM 209 O LEU A 14 -1.988 -3.518 -3.478 1.00 0.00 O ATOM 210 CB LEU A 14 -1.336 -1.541 -0.843 1.00 0.00 C ATOM 211 CG LEU A 14 -1.000 -0.111 -0.422 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.083 -0.137 0.802 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.289 0.604 -1.571 1.00 0.00 C ATOM 0 H LEU A 14 -3.327 -0.057 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.467 -1.102 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.934 -2.027 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.421 -2.124 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.921 0.418 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.155 0.884 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.587 -0.647 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.837 -0.667 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.049 1.624 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.630 0.072 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.941 0.626 -2.445 1.00 0.00 H new ATOM 225 N LYS A 15 -3.454 -3.508 -1.843 1.00 0.00 N ATOM 226 CA LYS A 15 -3.896 -4.893 -2.173 1.00 0.00 C ATOM 227 C LYS A 15 -4.464 -4.915 -3.593 1.00 0.00 C ATOM 228 O LYS A 15 -4.227 -5.832 -4.353 1.00 0.00 O ATOM 229 CB LYS A 15 -4.973 -5.336 -1.182 1.00 0.00 C ATOM 230 CG LYS A 15 -4.314 -6.039 0.006 1.00 0.00 C ATOM 231 CD LYS A 15 -5.352 -6.260 1.109 1.00 0.00 C ATOM 232 CE LYS A 15 -6.219 -7.469 0.757 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.648 -7.154 1.038 1.00 0.00 N ATOM 0 H LYS A 15 -3.933 -3.074 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.047 -5.574 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.542 -4.473 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.678 -6.008 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.895 -6.994 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.487 -5.438 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.854 -6.422 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.975 -5.372 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.092 -7.727 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.906 -8.336 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.238 -7.976 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.762 -6.928 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.943 -6.338 0.465 1.00 0.00 H new ATOM 247 N LYS A 16 -5.211 -3.908 -3.958 1.00 0.00 N ATOM 248 CA LYS A 16 -5.791 -3.870 -5.330 1.00 0.00 C ATOM 249 C LYS A 16 -4.664 -3.969 -6.359 1.00 0.00 C ATOM 250 O LYS A 16 -4.835 -4.514 -7.431 1.00 0.00 O ATOM 251 CB LYS A 16 -6.548 -2.555 -5.527 1.00 0.00 C ATOM 252 CG LYS A 16 -7.232 -2.558 -6.897 1.00 0.00 C ATOM 253 CD LYS A 16 -8.197 -1.375 -6.990 1.00 0.00 C ATOM 254 CE LYS A 16 -7.401 -0.083 -7.191 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.158 0.132 -8.645 1.00 0.00 N ATOM 0 H LYS A 16 -5.444 -3.111 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.478 -4.707 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.290 -2.429 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.860 -1.713 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.485 -2.494 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.772 -3.493 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.890 -1.521 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.796 -1.308 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.949 0.762 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.452 -0.142 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.617 1.010 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.618 -0.670 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.069 0.206 -9.142 1.00 0.00 H new ATOM 269 N ALA A 17 -3.511 -3.446 -6.042 1.00 0.00 N ATOM 270 CA ALA A 17 -2.375 -3.509 -7.002 1.00 0.00 C ATOM 271 C ALA A 17 -1.990 -4.971 -7.242 1.00 0.00 C ATOM 272 O ALA A 17 -2.069 -5.470 -8.348 1.00 0.00 O ATOM 273 CB ALA A 17 -1.176 -2.757 -6.421 1.00 0.00 C ATOM 0 H ALA A 17 -3.308 -2.978 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.671 -3.051 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.343 -2.802 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.449 -1.716 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.881 -3.216 -5.478 1.00 0.00 H new ATOM 279 N ALA A 18 -1.573 -5.662 -6.216 1.00 0.00 N ATOM 280 CA ALA A 18 -1.183 -7.091 -6.388 1.00 0.00 C ATOM 281 C ALA A 18 -2.286 -7.834 -7.144 1.00 0.00 C ATOM 282 O ALA A 18 -2.098 -8.278 -8.259 1.00 0.00 O ATOM 283 CB ALA A 18 -0.986 -7.733 -5.014 1.00 0.00 C ATOM 0 H ALA A 18 -1.485 -5.299 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.253 -7.148 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.701 -8.778 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.200 -7.204 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.916 -7.675 -4.449 1.00 0.00 H new ATOM 289 N GLY A 19 -3.438 -7.976 -6.546 1.00 0.00 N ATOM 290 CA GLY A 19 -4.550 -8.694 -7.231 1.00 0.00 C ATOM 291 C GLY A 19 -5.219 -9.655 -6.250 1.00 0.00 C ATOM 292 O GLY A 19 -5.583 -10.762 -6.599 1.00 0.00 O ATOM 0 H GLY A 19 -3.657 -7.626 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.280 -7.978 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.167 -9.244 -8.091 1.00 0.00 H new ATOM 485 N ALA A 33 0.970 -13.475 -1.417 1.00 0.00 N ATOM 486 CA ALA A 33 0.918 -12.214 -2.208 1.00 0.00 C ATOM 487 C ALA A 33 2.200 -11.413 -1.972 1.00 0.00 C ATOM 488 O ALA A 33 2.504 -11.020 -0.862 1.00 0.00 O ATOM 489 CB ALA A 33 -0.290 -11.385 -1.767 1.00 0.00 C ATOM 0 HA ALA A 33 0.827 -12.452 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.329 -10.462 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.203 -11.956 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.200 -11.146 -0.707 1.00 0.00 H new ATOM 495 N THR A 34 2.955 -11.167 -3.007 1.00 0.00 N ATOM 496 CA THR A 34 4.216 -10.392 -2.840 1.00 0.00 C ATOM 497 C THR A 34 4.109 -9.073 -3.606 1.00 0.00 C ATOM 498 O THR A 34 3.852 -9.051 -4.793 1.00 0.00 O ATOM 499 CB THR A 34 5.392 -11.201 -3.388 1.00 0.00 C ATOM 500 OG1 THR A 34 4.911 -12.166 -4.314 1.00 0.00 O ATOM 501 CG2 THR A 34 6.112 -11.909 -2.238 1.00 0.00 C ATOM 0 H THR A 34 2.753 -11.469 -3.960 1.00 0.00 H new ATOM 0 HA THR A 34 4.377 -10.188 -1.781 1.00 0.00 H new ATOM 0 HB THR A 34 6.090 -10.530 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.664 -12.684 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.949 -12.485 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.483 -11.168 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.418 -12.579 -1.732 1.00 0.00 H new ATOM 509 N ILE A 35 4.307 -7.973 -2.936 1.00 0.00 N ATOM 510 CA ILE A 35 4.219 -6.654 -3.625 1.00 0.00 C ATOM 511 C ILE A 35 5.621 -6.065 -3.785 1.00 0.00 C ATOM 512 O ILE A 35 6.186 -5.522 -2.856 1.00 0.00 O ATOM 513 CB ILE A 35 3.363 -5.697 -2.793 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.903 -6.161 -2.823 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.464 -4.284 -3.374 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.340 -6.008 -4.239 1.00 0.00 C ATOM 0 H ILE A 35 4.526 -7.929 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 35 3.765 -6.791 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 35 3.721 -5.691 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.836 -7.202 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.311 -5.574 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.854 -3.602 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.503 -3.955 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.107 -4.288 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.302 -6.339 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.392 -4.962 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.925 -6.614 -4.931 1.00 0.00 H new ATOM 528 N LYS A 36 6.186 -6.158 -4.956 1.00 0.00 N ATOM 529 CA LYS A 36 7.544 -5.591 -5.165 1.00 0.00 C ATOM 530 C LYS A 36 7.584 -4.182 -4.576 1.00 0.00 C ATOM 531 O LYS A 36 6.562 -3.556 -4.373 1.00 0.00 O ATOM 532 CB LYS A 36 7.849 -5.523 -6.663 1.00 0.00 C ATOM 533 CG LYS A 36 8.517 -6.824 -7.111 1.00 0.00 C ATOM 534 CD LYS A 36 9.716 -6.500 -8.003 1.00 0.00 C ATOM 535 CE LYS A 36 11.004 -6.593 -7.183 1.00 0.00 C ATOM 536 NZ LYS A 36 11.555 -7.974 -7.278 1.00 0.00 N ATOM 0 H LYS A 36 5.767 -6.601 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 36 8.286 -6.222 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.929 -5.363 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.502 -4.676 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.841 -7.397 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.803 -7.444 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.756 -7.194 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.611 -5.499 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.735 -5.872 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.804 -6.341 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.270 -8.114 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.787 -8.664 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.993 -8.110 -8.211 1.00 0.00 H new ATOM 550 N ARG A 37 8.751 -3.674 -4.300 1.00 0.00 N ATOM 551 CA ARG A 37 8.845 -2.306 -3.729 1.00 0.00 C ATOM 552 C ARG A 37 8.578 -1.298 -4.841 1.00 0.00 C ATOM 553 O ARG A 37 8.091 -0.209 -4.610 1.00 0.00 O ATOM 554 CB ARG A 37 10.248 -2.088 -3.170 1.00 0.00 C ATOM 555 CG ARG A 37 10.156 -1.346 -1.838 1.00 0.00 C ATOM 556 CD ARG A 37 9.275 -2.142 -0.872 1.00 0.00 C ATOM 557 NE ARG A 37 9.762 -1.936 0.520 1.00 0.00 N ATOM 558 CZ ARG A 37 11.034 -2.048 0.790 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.717 -3.055 0.316 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.625 -1.152 1.530 1.00 0.00 N ATOM 0 H ARG A 37 9.643 -4.148 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 37 8.116 -2.181 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.748 -3.046 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.848 -1.515 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.151 -1.213 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.739 -0.351 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.237 -1.820 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.302 -3.202 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 37 9.101 -1.707 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.256 -3.755 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.711 -3.142 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.093 -0.363 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.619 -1.240 1.741 1.00 0.00 H new ATOM 574 N ASP A 38 8.894 -1.661 -6.052 1.00 0.00 N ATOM 575 CA ASP A 38 8.663 -0.737 -7.192 1.00 0.00 C ATOM 576 C ASP A 38 7.164 -0.454 -7.319 1.00 0.00 C ATOM 577 O ASP A 38 6.750 0.667 -7.535 1.00 0.00 O ATOM 578 CB ASP A 38 9.171 -1.382 -8.484 1.00 0.00 C ATOM 579 CG ASP A 38 10.691 -1.539 -8.413 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.153 -2.247 -7.533 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.367 -0.949 -9.240 1.00 0.00 O ATOM 0 H ASP A 38 9.304 -2.561 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 38 9.198 0.197 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.701 -2.355 -8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.898 -0.767 -9.342 1.00 0.00 H new ATOM 586 N LYS A 39 6.348 -1.464 -7.186 1.00 0.00 N ATOM 587 CA LYS A 39 4.878 -1.256 -7.299 1.00 0.00 C ATOM 588 C LYS A 39 4.364 -0.554 -6.040 1.00 0.00 C ATOM 589 O LYS A 39 3.665 0.437 -6.112 1.00 0.00 O ATOM 590 CB LYS A 39 4.181 -2.610 -7.451 1.00 0.00 C ATOM 591 CG LYS A 39 2.804 -2.408 -8.085 1.00 0.00 C ATOM 592 CD LYS A 39 2.296 -3.742 -8.638 1.00 0.00 C ATOM 593 CE LYS A 39 1.802 -3.546 -10.073 1.00 0.00 C ATOM 594 NZ LYS A 39 2.494 -4.515 -10.971 1.00 0.00 N ATOM 0 H LYS A 39 6.637 -2.425 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 39 4.664 -0.639 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.784 -3.274 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.078 -3.089 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.105 -2.019 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.865 -1.670 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.094 -4.484 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.488 -4.123 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.723 -3.695 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.998 -2.525 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.160 -4.384 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.520 -4.353 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.285 -5.486 -10.661 1.00 0.00 H new ATOM 608 N VAL A 40 4.704 -1.060 -4.885 1.00 0.00 N ATOM 609 CA VAL A 40 4.233 -0.418 -3.627 1.00 0.00 C ATOM 610 C VAL A 40 4.555 1.078 -3.687 1.00 0.00 C ATOM 611 O VAL A 40 3.830 1.907 -3.174 1.00 0.00 O ATOM 612 CB VAL A 40 4.926 -1.093 -2.424 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.094 -0.244 -1.900 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.909 -1.297 -1.302 1.00 0.00 C ATOM 0 H VAL A 40 5.286 -1.888 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 40 3.156 -0.538 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 40 5.323 -2.052 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.559 -0.749 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.831 -0.110 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.722 0.730 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.396 -1.774 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.507 -0.331 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.097 -1.932 -1.658 1.00 0.00 H new ATOM 624 N ARG A 41 5.643 1.422 -4.319 1.00 0.00 N ATOM 625 CA ARG A 41 6.029 2.856 -4.427 1.00 0.00 C ATOM 626 C ARG A 41 5.112 3.561 -5.431 1.00 0.00 C ATOM 627 O ARG A 41 4.741 4.702 -5.250 1.00 0.00 O ATOM 628 CB ARG A 41 7.478 2.957 -4.908 1.00 0.00 C ATOM 629 CG ARG A 41 8.158 4.152 -4.239 1.00 0.00 C ATOM 630 CD ARG A 41 9.564 4.326 -4.815 1.00 0.00 C ATOM 631 NE ARG A 41 9.478 4.512 -6.291 1.00 0.00 N ATOM 632 CZ ARG A 41 10.570 4.640 -6.996 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.717 4.275 -6.492 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.514 5.132 -8.203 1.00 0.00 N ATOM 0 H ARG A 41 6.284 0.768 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 41 5.932 3.331 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.016 2.039 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.505 3.070 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.572 5.056 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.211 3.997 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.052 5.187 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.174 3.453 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 41 8.568 4.539 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.760 3.890 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.570 4.374 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.617 5.417 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.367 5.232 -8.753 1.00 0.00 H new ATOM 648 N GLU A 42 4.747 2.891 -6.491 1.00 0.00 N ATOM 649 CA GLU A 42 3.859 3.529 -7.503 1.00 0.00 C ATOM 650 C GLU A 42 2.575 4.015 -6.825 1.00 0.00 C ATOM 651 O GLU A 42 2.214 5.171 -6.918 1.00 0.00 O ATOM 652 CB GLU A 42 3.511 2.514 -8.594 1.00 0.00 C ATOM 653 CG GLU A 42 4.103 2.977 -9.927 1.00 0.00 C ATOM 654 CD GLU A 42 5.625 3.066 -9.808 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.217 2.120 -9.317 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.172 4.081 -10.208 1.00 0.00 O ATOM 0 H GLU A 42 5.025 1.932 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 42 4.374 4.378 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.904 1.532 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.429 2.412 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.830 2.280 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.692 3.949 -10.201 1.00 0.00 H new ATOM 663 N ILE A 43 1.883 3.142 -6.145 1.00 0.00 N ATOM 664 CA ILE A 43 0.625 3.560 -5.464 1.00 0.00 C ATOM 665 C ILE A 43 0.953 4.583 -4.373 1.00 0.00 C ATOM 666 O ILE A 43 0.228 5.536 -4.165 1.00 0.00 O ATOM 667 CB ILE A 43 -0.047 2.336 -4.833 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.705 1.497 -5.930 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.114 2.788 -3.833 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.585 0.014 -5.579 1.00 0.00 C ATOM 0 H ILE A 43 2.134 2.160 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.051 4.008 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 43 0.704 1.741 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.754 1.773 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.227 1.694 -6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.589 1.914 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.649 3.387 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.866 3.386 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.054 -0.584 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.468 -0.257 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.083 -0.176 -4.628 1.00 0.00 H new ATOM 682 N ALA A 44 2.037 4.393 -3.677 1.00 0.00 N ATOM 683 CA ALA A 44 2.407 5.353 -2.602 1.00 0.00 C ATOM 684 C ALA A 44 2.485 6.765 -3.185 1.00 0.00 C ATOM 685 O ALA A 44 2.137 7.735 -2.540 1.00 0.00 O ATOM 686 CB ALA A 44 3.766 4.965 -2.017 1.00 0.00 C ATOM 0 H ALA A 44 2.683 3.614 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 44 1.653 5.327 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.037 5.668 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.709 3.959 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.521 4.991 -2.803 1.00 0.00 H new ATOM 692 N GLU A 45 2.936 6.891 -4.405 1.00 0.00 N ATOM 693 CA GLU A 45 3.032 8.241 -5.027 1.00 0.00 C ATOM 694 C GLU A 45 1.633 8.718 -5.418 1.00 0.00 C ATOM 695 O GLU A 45 1.317 9.888 -5.323 1.00 0.00 O ATOM 696 CB GLU A 45 3.914 8.169 -6.275 1.00 0.00 C ATOM 697 CG GLU A 45 4.483 9.556 -6.574 1.00 0.00 C ATOM 698 CD GLU A 45 5.881 9.417 -7.180 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.098 8.463 -7.908 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.711 10.268 -6.905 1.00 0.00 O ATOM 0 H GLU A 45 3.241 6.118 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 45 3.471 8.940 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.724 7.457 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.333 7.811 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.828 10.088 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.529 10.146 -5.659 1.00 0.00 H new ATOM 707 N LEU A 46 0.790 7.823 -5.855 1.00 0.00 N ATOM 708 CA LEU A 46 -0.589 8.229 -6.245 1.00 0.00 C ATOM 709 C LEU A 46 -1.277 8.876 -5.043 1.00 0.00 C ATOM 710 O LEU A 46 -2.118 9.742 -5.187 1.00 0.00 O ATOM 711 CB LEU A 46 -1.381 6.994 -6.682 1.00 0.00 C ATOM 712 CG LEU A 46 -1.567 7.018 -8.200 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.461 6.196 -8.863 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.929 6.415 -8.554 1.00 0.00 C ATOM 0 H LEU A 46 0.996 6.830 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.544 8.939 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.855 6.087 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.352 6.977 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.518 8.047 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.594 6.213 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.510 6.621 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.510 5.167 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.064 6.431 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.975 5.386 -8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.719 6.998 -8.081 1.00 0.00 H new ATOM 726 N LYS A 47 -0.925 8.461 -3.857 1.00 0.00 N ATOM 727 CA LYS A 47 -1.553 9.049 -2.643 1.00 0.00 C ATOM 728 C LYS A 47 -0.472 9.708 -1.783 1.00 0.00 C ATOM 729 O LYS A 47 -0.557 9.730 -0.573 1.00 0.00 O ATOM 730 CB LYS A 47 -2.239 7.944 -1.835 1.00 0.00 C ATOM 731 CG LYS A 47 -3.017 7.027 -2.780 1.00 0.00 C ATOM 732 CD LYS A 47 -2.667 5.570 -2.476 1.00 0.00 C ATOM 733 CE LYS A 47 -3.058 5.243 -1.034 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.027 4.354 -0.430 1.00 0.00 N ATOM 0 H LYS A 47 -0.228 7.738 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.291 9.794 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.496 7.368 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.914 8.382 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.088 7.188 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.773 7.263 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.190 4.907 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.600 5.403 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.148 6.161 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.033 4.755 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.905 4.596 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.332 3.363 -0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.124 4.481 -0.929 1.00 0.00 H new ATOM 748 N MET A 48 0.545 10.239 -2.403 1.00 0.00 N ATOM 749 CA MET A 48 1.636 10.894 -1.628 1.00 0.00 C ATOM 750 C MET A 48 1.115 12.174 -0.962 1.00 0.00 C ATOM 751 O MET A 48 1.307 12.371 0.221 1.00 0.00 O ATOM 752 CB MET A 48 2.789 11.245 -2.569 1.00 0.00 C ATOM 753 CG MET A 48 4.118 10.861 -1.914 1.00 0.00 C ATOM 754 SD MET A 48 4.292 11.741 -0.344 1.00 0.00 S ATOM 755 CE MET A 48 5.509 12.958 -0.902 1.00 0.00 C ATOM 0 H MET A 48 0.668 10.248 -3.416 1.00 0.00 H new ATOM 0 HA MET A 48 1.985 10.208 -0.857 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.673 10.718 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.777 12.311 -2.794 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.155 9.785 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.947 11.109 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.846 13.551 -0.052 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.361 12.443 -1.346 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.054 13.614 -1.644 1.00 0.00 H new ATOM 765 N PRO A 49 0.481 13.012 -1.746 1.00 0.00 N ATOM 766 CA PRO A 49 -0.067 14.292 -1.259 1.00 0.00 C ATOM 767 C PRO A 49 -1.397 14.080 -0.524 1.00 0.00 C ATOM 768 O PRO A 49 -2.121 15.018 -0.256 1.00 0.00 O ATOM 769 CB PRO A 49 -0.276 15.100 -2.542 1.00 0.00 C ATOM 770 CG PRO A 49 -0.382 14.074 -3.696 1.00 0.00 C ATOM 771 CD PRO A 49 0.252 12.766 -3.186 1.00 0.00 C ATOM 0 HA PRO A 49 0.589 14.788 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.180 15.705 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.555 15.786 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.423 13.915 -3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.137 14.435 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.410 11.914 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.184 12.546 -3.706 1.00 0.00 H new ATOM 779 N ASP A 50 -1.728 12.861 -0.195 1.00 0.00 N ATOM 780 CA ASP A 50 -3.009 12.608 0.522 1.00 0.00 C ATOM 781 C ASP A 50 -2.719 11.961 1.878 1.00 0.00 C ATOM 782 O ASP A 50 -3.574 11.335 2.473 1.00 0.00 O ATOM 783 CB ASP A 50 -3.884 11.671 -0.311 1.00 0.00 C ATOM 784 CG ASP A 50 -3.937 12.173 -1.756 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.822 13.371 -1.950 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.091 11.350 -2.643 1.00 0.00 O ATOM 0 H ASP A 50 -1.168 12.031 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.530 13.553 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.482 10.658 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.890 11.627 0.107 1.00 0.00 H new ATOM 791 N LEU A 51 -1.520 12.105 2.371 1.00 0.00 N ATOM 792 CA LEU A 51 -1.180 11.493 3.690 1.00 0.00 C ATOM 793 C LEU A 51 -0.293 12.457 4.482 1.00 0.00 C ATOM 794 O LEU A 51 0.284 12.098 5.489 1.00 0.00 O ATOM 795 CB LEU A 51 -0.430 10.169 3.484 1.00 0.00 C ATOM 796 CG LEU A 51 -0.602 9.682 2.043 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.377 8.538 1.770 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.036 9.186 1.839 1.00 0.00 C ATOM 0 H LEU A 51 -0.762 12.618 1.921 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.102 11.298 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.629 10.304 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.808 9.417 4.177 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.401 10.504 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.254 8.191 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.398 8.891 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.177 7.716 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.159 8.839 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.238 8.364 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.734 10.001 2.032 1.00 0.00 H new ATOM 810 N ASN A 52 -0.181 13.678 4.035 1.00 0.00 N ATOM 811 CA ASN A 52 0.669 14.665 4.762 1.00 0.00 C ATOM 812 C ASN A 52 2.113 14.161 4.796 1.00 0.00 C ATOM 813 O ASN A 52 2.909 14.584 5.611 1.00 0.00 O ATOM 814 CB ASN A 52 0.157 14.835 6.196 1.00 0.00 C ATOM 815 CG ASN A 52 -1.350 14.571 6.245 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.787 13.584 6.802 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.169 15.418 5.682 1.00 0.00 N ATOM 0 H ASN A 52 -0.641 14.035 3.198 1.00 0.00 H new ATOM 0 HA ASN A 52 0.625 15.625 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.678 14.146 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.370 15.843 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.175 15.251 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.803 16.247 5.214 1.00 0.00 H new ATOM 824 N ALA A 53 2.455 13.259 3.919 1.00 0.00 N ATOM 825 CA ALA A 53 3.846 12.724 3.900 1.00 0.00 C ATOM 826 C ALA A 53 4.796 13.777 3.328 1.00 0.00 C ATOM 827 O ALA A 53 4.522 14.391 2.317 1.00 0.00 O ATOM 828 CB ALA A 53 3.894 11.468 3.026 1.00 0.00 C ATOM 0 H ALA A 53 1.831 12.868 3.213 1.00 0.00 H new ATOM 0 HA ALA A 53 4.152 12.476 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.910 11.074 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.220 10.715 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.586 11.719 2.011 1.00 0.00 H new ATOM 834 N ALA A 54 5.914 13.987 3.966 1.00 0.00 N ATOM 835 CA ALA A 54 6.883 14.997 3.455 1.00 0.00 C ATOM 836 C ALA A 54 7.446 14.519 2.115 1.00 0.00 C ATOM 837 O ALA A 54 7.420 15.230 1.131 1.00 0.00 O ATOM 838 CB ALA A 54 8.024 15.163 4.460 1.00 0.00 C ATOM 0 H ALA A 54 6.198 13.504 4.818 1.00 0.00 H new ATOM 0 HA ALA A 54 6.380 15.954 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.733 15.902 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.621 15.498 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.532 14.208 4.595 1.00 0.00 H new ATOM 844 N SER A 55 7.951 13.317 2.072 1.00 0.00 N ATOM 845 CA SER A 55 8.512 12.789 0.796 1.00 0.00 C ATOM 846 C SER A 55 8.087 11.329 0.624 1.00 0.00 C ATOM 847 O SER A 55 7.222 10.839 1.321 1.00 0.00 O ATOM 848 CB SER A 55 10.038 12.877 0.835 1.00 0.00 C ATOM 849 OG SER A 55 10.522 12.141 1.951 1.00 0.00 O ATOM 0 H SER A 55 8.000 12.677 2.865 1.00 0.00 H new ATOM 0 HA SER A 55 8.138 13.379 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.460 12.480 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.352 13.918 0.907 1.00 0.00 H new ATOM 0 HG SER A 55 11.500 12.194 1.978 1.00 0.00 H new ATOM 855 N ILE A 56 8.688 10.630 -0.299 1.00 0.00 N ATOM 856 CA ILE A 56 8.315 9.202 -0.510 1.00 0.00 C ATOM 857 C ILE A 56 8.700 8.387 0.724 1.00 0.00 C ATOM 858 O ILE A 56 7.917 7.614 1.238 1.00 0.00 O ATOM 859 CB ILE A 56 9.060 8.654 -1.723 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.783 9.543 -2.936 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.585 7.230 -2.015 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.333 9.356 -3.384 1.00 0.00 C ATOM 0 H ILE A 56 9.420 10.984 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 56 7.240 9.131 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 56 10.130 8.644 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.965 10.588 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.462 9.288 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.118 6.839 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.783 6.596 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.515 7.238 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.135 9.989 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.167 8.313 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.662 9.632 -2.570 1.00 0.00 H new ATOM 874 N GLU A 57 9.902 8.551 1.205 1.00 0.00 N ATOM 875 CA GLU A 57 10.327 7.785 2.407 1.00 0.00 C ATOM 876 C GLU A 57 9.238 7.898 3.475 1.00 0.00 C ATOM 877 O GLU A 57 9.108 7.055 4.339 1.00 0.00 O ATOM 878 CB GLU A 57 11.639 8.360 2.944 1.00 0.00 C ATOM 879 CG GLU A 57 12.788 7.972 2.010 1.00 0.00 C ATOM 880 CD GLU A 57 13.978 7.484 2.839 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.902 7.566 4.053 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.946 7.038 2.244 1.00 0.00 O ATOM 0 H GLU A 57 10.605 9.181 0.818 1.00 0.00 H new ATOM 0 HA GLU A 57 10.479 6.738 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.569 9.445 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.830 7.982 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.464 7.190 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.081 8.828 1.402 1.00 0.00 H new ATOM 889 N ALA A 58 8.450 8.938 3.416 1.00 0.00 N ATOM 890 CA ALA A 58 7.364 9.112 4.420 1.00 0.00 C ATOM 891 C ALA A 58 6.083 8.445 3.910 1.00 0.00 C ATOM 892 O ALA A 58 5.311 7.905 4.675 1.00 0.00 O ATOM 893 CB ALA A 58 7.108 10.604 4.643 1.00 0.00 C ATOM 0 H ALA A 58 8.513 9.675 2.714 1.00 0.00 H new ATOM 0 HA ALA A 58 7.664 8.650 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.313 10.731 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.019 11.079 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.810 11.067 3.702 1.00 0.00 H new ATOM 899 N ALA A 59 5.850 8.474 2.623 1.00 0.00 N ATOM 900 CA ALA A 59 4.615 7.835 2.081 1.00 0.00 C ATOM 901 C ALA A 59 4.818 6.320 2.008 1.00 0.00 C ATOM 902 O ALA A 59 4.157 5.562 2.693 1.00 0.00 O ATOM 903 CB ALA A 59 4.321 8.381 0.683 1.00 0.00 C ATOM 0 H ALA A 59 6.457 8.909 1.929 1.00 0.00 H new ATOM 0 HA ALA A 59 3.774 8.059 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.419 7.912 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.175 9.460 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.160 8.161 0.023 1.00 0.00 H new ATOM 909 N MET A 60 5.727 5.870 1.186 1.00 0.00 N ATOM 910 CA MET A 60 5.969 4.403 1.082 1.00 0.00 C ATOM 911 C MET A 60 6.021 3.808 2.489 1.00 0.00 C ATOM 912 O MET A 60 5.620 2.683 2.715 1.00 0.00 O ATOM 913 CB MET A 60 7.299 4.149 0.368 1.00 0.00 C ATOM 914 CG MET A 60 7.156 2.950 -0.570 1.00 0.00 C ATOM 915 SD MET A 60 8.344 1.670 -0.094 1.00 0.00 S ATOM 916 CE MET A 60 9.780 2.366 -0.947 1.00 0.00 C ATOM 0 H MET A 60 6.310 6.452 0.585 1.00 0.00 H new ATOM 0 HA MET A 60 5.165 3.937 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.595 5.033 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.086 3.960 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.141 2.556 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.330 3.258 -1.601 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.646 1.724 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.572 2.432 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.989 3.362 -0.555 1.00 0.00 H new ATOM 926 N ARG A 61 6.506 4.560 3.441 1.00 0.00 N ATOM 927 CA ARG A 61 6.577 4.045 4.836 1.00 0.00 C ATOM 928 C ARG A 61 5.224 3.449 5.217 1.00 0.00 C ATOM 929 O ARG A 61 5.124 2.309 5.625 1.00 0.00 O ATOM 930 CB ARG A 61 6.912 5.197 5.788 1.00 0.00 C ATOM 931 CG ARG A 61 7.625 4.651 7.026 1.00 0.00 C ATOM 932 CD ARG A 61 6.911 5.144 8.285 1.00 0.00 C ATOM 933 NE ARG A 61 7.893 5.277 9.398 1.00 0.00 N ATOM 934 CZ ARG A 61 7.551 5.892 10.498 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.558 7.195 10.546 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.204 5.202 11.550 1.00 0.00 N ATOM 0 H ARG A 61 6.856 5.509 3.311 1.00 0.00 H new ATOM 0 HA ARG A 61 7.350 3.280 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.546 5.926 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.000 5.716 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.633 3.561 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.665 4.978 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.433 6.104 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.122 4.446 8.564 1.00 0.00 H new ATOM 0 HE ARG A 61 8.831 4.888 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.831 7.734 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.291 7.675 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.200 4.183 11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.937 5.682 12.409 1.00 0.00 H new ATOM 950 N MET A 62 4.180 4.216 5.077 1.00 0.00 N ATOM 951 CA MET A 62 2.824 3.703 5.419 1.00 0.00 C ATOM 952 C MET A 62 2.472 2.550 4.478 1.00 0.00 C ATOM 953 O MET A 62 1.757 1.638 4.838 1.00 0.00 O ATOM 954 CB MET A 62 1.800 4.828 5.260 1.00 0.00 C ATOM 955 CG MET A 62 2.112 5.947 6.256 1.00 0.00 C ATOM 956 SD MET A 62 0.923 7.295 6.044 1.00 0.00 S ATOM 957 CE MET A 62 2.099 8.544 5.469 1.00 0.00 C ATOM 0 H MET A 62 4.207 5.178 4.740 1.00 0.00 H new ATOM 0 HA MET A 62 2.812 3.349 6.450 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.825 5.216 4.242 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.794 4.445 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.065 5.564 7.275 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.126 6.315 6.100 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.673 9.537 5.610 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.025 8.462 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.309 8.386 4.411 1.00 0.00 H new ATOM 967 N ILE A 63 2.974 2.585 3.274 1.00 0.00 N ATOM 968 CA ILE A 63 2.676 1.490 2.307 1.00 0.00 C ATOM 969 C ILE A 63 3.374 0.209 2.762 1.00 0.00 C ATOM 970 O ILE A 63 3.008 -0.880 2.374 1.00 0.00 O ATOM 971 CB ILE A 63 3.180 1.890 0.920 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.695 3.303 0.587 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.638 0.910 -0.118 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.206 3.431 0.922 1.00 0.00 C ATOM 0 H ILE A 63 3.578 3.325 2.918 1.00 0.00 H new ATOM 0 HA ILE A 63 1.601 1.318 2.264 1.00 0.00 H new ATOM 0 HB ILE A 63 4.270 1.868 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.269 4.037 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.859 3.515 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.996 1.193 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.982 -0.097 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.548 0.933 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.865 4.438 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.638 2.707 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.054 3.238 1.984 1.00 0.00 H new ATOM 986 N GLU A 64 4.375 0.329 3.587 1.00 0.00 N ATOM 987 CA GLU A 64 5.086 -0.886 4.072 1.00 0.00 C ATOM 988 C GLU A 64 4.314 -1.487 5.250 1.00 0.00 C ATOM 989 O GLU A 64 3.747 -2.556 5.150 1.00 0.00 O ATOM 990 CB GLU A 64 6.499 -0.507 4.524 1.00 0.00 C ATOM 991 CG GLU A 64 7.283 0.055 3.336 1.00 0.00 C ATOM 992 CD GLU A 64 8.667 0.507 3.807 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.334 -0.277 4.460 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.035 1.632 3.508 1.00 0.00 O ATOM 0 H GLU A 64 4.732 1.215 3.946 1.00 0.00 H new ATOM 0 HA GLU A 64 5.150 -1.618 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.450 0.232 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.009 -1.381 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.381 -0.704 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.745 0.894 2.896 1.00 0.00 H new ATOM 1001 N GLY A 65 4.285 -0.806 6.364 1.00 0.00 N ATOM 1002 CA GLY A 65 3.545 -1.339 7.544 1.00 0.00 C ATOM 1003 C GLY A 65 2.109 -1.669 7.134 1.00 0.00 C ATOM 1004 O GLY A 65 1.507 -2.598 7.634 1.00 0.00 O ATOM 0 H GLY A 65 4.741 0.095 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.041 -2.232 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.546 -0.605 8.350 1.00 0.00 H new ATOM 1008 N THR A 66 1.560 -0.914 6.224 1.00 0.00 N ATOM 1009 CA THR A 66 0.166 -1.181 5.774 1.00 0.00 C ATOM 1010 C THR A 66 0.163 -2.394 4.844 1.00 0.00 C ATOM 1011 O THR A 66 -0.608 -3.319 5.012 1.00 0.00 O ATOM 1012 CB THR A 66 -0.368 0.039 5.018 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.368 1.167 5.883 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.793 -0.240 4.541 1.00 0.00 C ATOM 0 H THR A 66 2.017 -0.122 5.772 1.00 0.00 H new ATOM 0 HA THR A 66 -0.467 -1.378 6.639 1.00 0.00 H new ATOM 0 HB THR A 66 0.268 0.241 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.278 1.828 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.173 0.628 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.792 -1.106 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.432 -0.442 5.401 1.00 0.00 H new ATOM 1022 N ALA A 67 1.027 -2.398 3.867 1.00 0.00 N ATOM 1023 CA ALA A 67 1.087 -3.548 2.925 1.00 0.00 C ATOM 1024 C ALA A 67 2.083 -4.581 3.454 1.00 0.00 C ATOM 1025 O ALA A 67 2.762 -5.248 2.698 1.00 0.00 O ATOM 1026 CB ALA A 67 1.543 -3.050 1.552 1.00 0.00 C ATOM 0 H ALA A 67 1.696 -1.651 3.681 1.00 0.00 H new ATOM 0 HA ALA A 67 0.102 -4.006 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.589 -3.889 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.835 -2.309 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.530 -2.597 1.639 1.00 0.00 H new ATOM 1032 N ARG A 68 2.183 -4.710 4.748 1.00 0.00 N ATOM 1033 CA ARG A 68 3.145 -5.692 5.328 1.00 0.00 C ATOM 1034 C ARG A 68 2.470 -6.487 6.449 1.00 0.00 C ATOM 1035 O ARG A 68 2.473 -7.703 6.449 1.00 0.00 O ATOM 1036 CB ARG A 68 4.350 -4.938 5.892 1.00 0.00 C ATOM 1037 CG ARG A 68 5.215 -5.890 6.720 1.00 0.00 C ATOM 1038 CD ARG A 68 6.480 -5.159 7.171 1.00 0.00 C ATOM 1039 NE ARG A 68 7.483 -6.151 7.649 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.451 -6.528 6.862 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.189 -7.247 5.805 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.681 -6.185 7.129 1.00 0.00 N ATOM 0 H ARG A 68 1.641 -4.179 5.430 1.00 0.00 H new ATOM 0 HA ARG A 68 3.470 -6.382 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.938 -4.512 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.013 -4.106 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.658 -6.245 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.479 -6.767 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.892 -4.579 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.241 -4.454 7.968 1.00 0.00 H new ATOM 0 HE ARG A 68 7.412 -6.535 8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.227 -7.514 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.946 -7.542 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.886 -5.621 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.438 -6.480 6.513 1.00 0.00 H new ATOM 1056 N SER A 69 1.897 -5.814 7.408 1.00 0.00 N ATOM 1057 CA SER A 69 1.231 -6.536 8.530 1.00 0.00 C ATOM 1058 C SER A 69 -0.188 -6.938 8.119 1.00 0.00 C ATOM 1059 O SER A 69 -0.987 -7.348 8.938 1.00 0.00 O ATOM 1060 CB SER A 69 1.166 -5.623 9.755 1.00 0.00 C ATOM 1061 OG SER A 69 1.705 -6.309 10.878 1.00 0.00 O ATOM 0 H SER A 69 1.861 -4.796 7.464 1.00 0.00 H new ATOM 0 HA SER A 69 1.803 -7.432 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.726 -4.706 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.134 -5.332 9.952 1.00 0.00 H new ATOM 0 HG SER A 69 1.667 -5.727 11.666 1.00 0.00 H new ATOM 1067 N MET A 70 -0.511 -6.828 6.859 1.00 0.00 N ATOM 1068 CA MET A 70 -1.879 -7.207 6.406 1.00 0.00 C ATOM 1069 C MET A 70 -1.831 -8.574 5.721 1.00 0.00 C ATOM 1070 O MET A 70 -2.849 -9.171 5.432 1.00 0.00 O ATOM 1071 CB MET A 70 -2.398 -6.162 5.418 1.00 0.00 C ATOM 1072 CG MET A 70 -3.179 -5.086 6.175 1.00 0.00 C ATOM 1073 SD MET A 70 -4.708 -4.711 5.281 1.00 0.00 S ATOM 1074 CE MET A 70 -3.948 -4.297 3.693 1.00 0.00 C ATOM 0 H MET A 70 0.113 -6.492 6.125 1.00 0.00 H new ATOM 0 HA MET A 70 -2.545 -7.255 7.268 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.565 -5.710 4.879 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.039 -6.636 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.409 -5.430 7.183 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.574 -4.185 6.276 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.717 -3.961 2.998 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.216 -3.502 3.836 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.452 -5.178 3.286 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.655 -9.075 5.454 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.545 -10.401 4.785 1.00 0.00 C ATOM 1086 C GLY A 71 0.282 -10.260 3.505 1.00 0.00 C ATOM 1087 O GLY A 71 0.656 -11.236 2.886 1.00 0.00 O ATOM 0 H GLY A 71 0.233 -8.623 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.076 -11.121 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.538 -10.785 4.549 1.00 0.00 H new ATOM 1091 N ILE A 72 0.574 -9.052 3.107 1.00 0.00 N ATOM 1092 CA ILE A 72 1.379 -8.850 1.871 1.00 0.00 C ATOM 1093 C ILE A 72 2.847 -8.655 2.252 1.00 0.00 C ATOM 1094 O ILE A 72 3.159 -8.139 3.307 1.00 0.00 O ATOM 1095 CB ILE A 72 0.871 -7.610 1.133 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.644 -7.717 0.942 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.551 -7.513 -0.233 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.244 -6.317 0.812 1.00 0.00 C ATOM 0 H ILE A 72 0.290 -8.197 3.585 1.00 0.00 H new ATOM 0 HA ILE A 72 1.284 -9.721 1.223 1.00 0.00 H new ATOM 0 HB ILE A 72 1.103 -6.719 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.868 -8.304 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.092 -8.238 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.188 -6.629 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.630 -7.438 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.320 -8.403 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.323 -6.395 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.032 -5.745 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.805 -5.812 -0.048 1.00 0.00 H new ATOM 1110 N VAL A 73 3.753 -9.066 1.408 1.00 0.00 N ATOM 1111 CA VAL A 73 5.197 -8.902 1.736 1.00 0.00 C ATOM 1112 C VAL A 73 5.860 -7.985 0.702 1.00 0.00 C ATOM 1113 O VAL A 73 5.895 -8.282 -0.475 1.00 0.00 O ATOM 1114 CB VAL A 73 5.872 -10.285 1.753 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.437 -10.631 0.372 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.008 -10.278 2.777 1.00 0.00 C ATOM 0 H VAL A 73 3.557 -9.506 0.509 1.00 0.00 H new ATOM 0 HA VAL A 73 5.306 -8.445 2.720 1.00 0.00 H new ATOM 0 HB VAL A 73 5.127 -11.034 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.909 -11.613 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.629 -10.644 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.176 -9.883 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.490 -11.256 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.740 -9.518 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.606 -10.056 3.765 1.00 0.00 H new ATOM 1126 N VAL A 74 6.387 -6.876 1.132 1.00 0.00 N ATOM 1127 CA VAL A 74 7.047 -5.948 0.174 1.00 0.00 C ATOM 1128 C VAL A 74 8.469 -6.453 -0.107 1.00 0.00 C ATOM 1129 O VAL A 74 9.231 -6.721 0.800 1.00 0.00 O ATOM 1130 CB VAL A 74 7.066 -4.529 0.779 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.439 -4.203 1.378 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.730 -3.508 -0.310 1.00 0.00 C ATOM 0 H VAL A 74 6.390 -6.571 2.105 1.00 0.00 H new ATOM 0 HA VAL A 74 6.500 -5.912 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 74 6.324 -4.484 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.424 -3.197 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.672 -4.920 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.199 -4.260 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.743 -2.505 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.468 -3.573 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.739 -3.718 -0.713 1.00 0.00 H new ATOM 1142 N GLU A 75 8.830 -6.595 -1.354 1.00 0.00 N ATOM 1143 CA GLU A 75 10.199 -7.092 -1.673 1.00 0.00 C ATOM 1144 C GLU A 75 10.807 -6.253 -2.799 1.00 0.00 C ATOM 1145 O GLU A 75 10.216 -6.079 -3.846 1.00 0.00 O ATOM 1146 CB GLU A 75 10.119 -8.555 -2.114 1.00 0.00 C ATOM 1147 CG GLU A 75 10.663 -9.455 -1.003 1.00 0.00 C ATOM 1148 CD GLU A 75 12.040 -9.988 -1.402 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.612 -9.454 -2.338 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.501 -10.921 -0.765 1.00 0.00 O ATOM 0 H GLU A 75 8.240 -6.390 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 75 10.827 -7.010 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.086 -8.822 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.693 -8.702 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.735 -8.895 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.978 -10.284 -0.825 1.00 0.00 H new ATOM 1157 N ASP A 76 11.985 -5.733 -2.591 1.00 0.00 N ATOM 1158 CA ASP A 76 12.633 -4.907 -3.648 1.00 0.00 C ATOM 1159 C ASP A 76 13.582 -5.780 -4.471 1.00 0.00 C ATOM 1160 O ASP A 76 13.161 -6.845 -4.892 1.00 0.00 O ATOM 1161 CB ASP A 76 13.423 -3.771 -2.993 1.00 0.00 C ATOM 1162 CG ASP A 76 13.635 -2.647 -4.009 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.119 -2.763 -5.107 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.312 -1.690 -3.669 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.714 -5.369 -4.666 1.00 0.00 O ATOM 0 H ASP A 76 12.527 -5.844 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 76 11.868 -4.489 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.885 -3.393 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.385 -4.140 -2.637 1.00 0.00 H new