USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 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 TYR OH : rot -105:sc= 0.52 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.636 K(o=-0.12,f=-1.4) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0825 (180deg=-0.438) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.0088) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 60:sc= 0.021 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.685 -0.983 6.758 1.00 0.00 N ATOM 43 CA LEU A 3 -12.425 -1.165 6.045 1.00 0.00 C ATOM 44 C LEU A 3 -11.899 -2.586 6.223 1.00 0.00 C ATOM 45 O LEU A 3 -12.291 -3.292 7.151 1.00 0.00 O ATOM 46 CB LEU A 3 -11.385 -0.158 6.541 1.00 0.00 C ATOM 47 CG LEU A 3 -11.722 1.317 6.323 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.769 2.204 7.109 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.675 1.662 4.841 1.00 0.00 C ATOM 0 HA LEU A 3 -12.609 -0.995 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.231 -0.321 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.438 -0.371 6.046 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.734 1.496 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.024 3.250 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.852 1.976 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.746 2.022 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.918 2.716 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.675 1.467 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.399 1.051 4.302 1.00 0.00 H new ATOM 61 N VAL A 4 -11.007 -2.998 5.327 1.00 0.00 N ATOM 62 CA VAL A 4 -10.425 -4.333 5.387 1.00 0.00 C ATOM 63 C VAL A 4 -8.933 -4.296 5.077 1.00 0.00 C ATOM 64 O VAL A 4 -8.514 -3.740 4.062 1.00 0.00 O ATOM 65 CB VAL A 4 -11.119 -5.293 4.403 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.579 -5.485 4.784 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.995 -4.776 2.978 1.00 0.00 C ATOM 0 H VAL A 4 -10.672 -2.426 4.552 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.573 -4.697 6.404 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.624 -6.262 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.053 -6.166 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.641 -5.903 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.091 -4.523 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.491 -5.467 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.464 -3.795 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.941 -4.696 2.710 1.00 0.00 H new ATOM 77 N GLU A 5 -8.135 -4.892 5.958 1.00 0.00 N ATOM 78 CA GLU A 5 -6.689 -4.926 5.777 1.00 0.00 C ATOM 79 C GLU A 5 -6.304 -5.879 4.649 1.00 0.00 C ATOM 80 O GLU A 5 -6.598 -7.074 4.704 1.00 0.00 O ATOM 81 CB GLU A 5 -6.000 -5.351 7.076 1.00 0.00 C ATOM 82 CG GLU A 5 -4.497 -5.527 6.939 1.00 0.00 C ATOM 83 CD GLU A 5 -3.889 -6.282 8.104 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.314 -6.043 9.254 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.988 -7.113 7.866 1.00 0.00 O ATOM 0 H GLU A 5 -8.466 -5.357 6.803 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.358 -3.922 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.201 -4.605 7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.437 -6.289 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.280 -6.060 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.026 -4.547 6.861 1.00 0.00 H new ATOM 92 N ILE A 6 -5.646 -5.342 3.627 1.00 0.00 N ATOM 93 CA ILE A 6 -5.221 -6.144 2.487 1.00 0.00 C ATOM 94 C ILE A 6 -3.743 -6.508 2.591 1.00 0.00 C ATOM 95 O ILE A 6 -3.347 -7.631 2.285 1.00 0.00 O ATOM 96 CB ILE A 6 -5.463 -5.405 1.157 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.910 -3.981 1.232 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.948 -5.386 0.826 1.00 0.00 C ATOM 99 CD1 ILE A 6 -5.027 -3.218 -0.069 1.00 0.00 C ATOM 0 H ILE A 6 -5.396 -4.355 3.565 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.819 -7.055 2.502 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.940 -5.936 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.439 -3.435 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.861 -4.022 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.104 -4.861 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.314 -6.409 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.491 -4.875 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.615 -2.217 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.474 -3.742 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.076 -3.145 -0.355 1.00 0.00 H new ATOM 111 N GLY A 7 -2.932 -5.548 3.027 1.00 0.00 N ATOM 112 CA GLY A 7 -1.508 -5.787 3.165 1.00 0.00 C ATOM 113 C GLY A 7 -0.870 -4.896 4.212 1.00 0.00 C ATOM 114 O GLY A 7 -1.535 -4.045 4.802 1.00 0.00 O ATOM 0 H GLY A 7 -3.236 -4.610 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.342 -6.831 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.020 -5.621 2.205 1.00 0.00 H new ATOM 118 N ARG A 8 0.424 -5.092 4.445 1.00 0.00 N ATOM 119 CA ARG A 8 1.152 -4.302 5.431 1.00 0.00 C ATOM 120 C ARG A 8 2.567 -4.000 4.948 1.00 0.00 C ATOM 121 O ARG A 8 3.207 -4.835 4.308 1.00 0.00 O ATOM 122 CB ARG A 8 1.204 -5.039 6.770 1.00 0.00 C ATOM 123 CG ARG A 8 2.123 -4.386 7.789 1.00 0.00 C ATOM 124 CD ARG A 8 2.291 -5.255 9.026 1.00 0.00 C ATOM 125 NE ARG A 8 3.290 -6.302 8.827 1.00 0.00 N ATOM 126 CZ ARG A 8 3.376 -7.389 9.585 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.527 -7.571 10.587 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.313 -8.297 9.342 1.00 0.00 N ATOM 0 H ARG A 8 0.990 -5.791 3.964 1.00 0.00 H new ATOM 0 HA ARG A 8 0.623 -3.358 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.197 -5.094 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.535 -6.063 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.098 -4.203 7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.718 -3.416 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.583 -4.631 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.334 -5.710 9.282 1.00 0.00 H new ATOM 0 HE ARG A 8 3.958 -6.192 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.806 -6.875 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.595 -8.407 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.968 -8.160 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.378 -9.131 9.925 1.00 0.00 H new ATOM 142 N PHE A 9 3.050 -2.802 5.259 1.00 0.00 N ATOM 143 CA PHE A 9 4.390 -2.390 4.855 1.00 0.00 C ATOM 144 C PHE A 9 5.453 -3.135 5.657 1.00 0.00 C ATOM 145 O PHE A 9 5.288 -3.379 6.852 1.00 0.00 O ATOM 146 CB PHE A 9 4.560 -0.880 5.042 1.00 0.00 C ATOM 147 CG PHE A 9 3.579 -0.065 4.249 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.289 -0.391 2.934 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.946 1.028 4.819 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.388 0.359 2.202 1.00 0.00 C ATOM 151 CE2 PHE A 9 2.043 1.781 4.092 1.00 0.00 C ATOM 152 CZ PHE A 9 1.763 1.445 2.782 1.00 0.00 C ATOM 0 H PHE A 9 2.534 -2.099 5.789 1.00 0.00 H new ATOM 0 HA PHE A 9 4.516 -2.636 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.451 -0.638 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.572 -0.598 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.773 -1.241 2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.161 1.295 5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.173 0.096 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.557 2.631 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.057 2.031 2.212 1.00 0.00 H new ATOM 162 N GLY A 10 6.545 -3.495 4.990 1.00 0.00 N ATOM 163 CA GLY A 10 7.619 -4.210 5.655 1.00 0.00 C ATOM 164 C GLY A 10 8.877 -3.374 5.786 1.00 0.00 C ATOM 165 O GLY A 10 9.152 -2.818 6.849 1.00 0.00 O ATOM 0 H GLY A 10 6.705 -3.304 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.287 -4.519 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.846 -5.119 5.097 1.00 0.00 H new ATOM 169 N ALA A 11 9.644 -3.287 4.704 1.00 0.00 N ATOM 170 CA ALA A 11 10.879 -2.514 4.703 1.00 0.00 C ATOM 171 C ALA A 11 10.832 -1.405 3.657 1.00 0.00 C ATOM 172 O ALA A 11 10.184 -1.527 2.617 1.00 0.00 O ATOM 173 CB ALA A 11 12.072 -3.425 4.456 1.00 0.00 C ATOM 0 H ALA A 11 9.431 -3.743 3.817 1.00 0.00 H new ATOM 0 HA ALA A 11 10.988 -2.049 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.988 -2.834 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.124 -4.178 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.960 -3.917 3.490 1.00 0.00 H new ATOM 179 N PRO A 12 11.533 -0.297 3.937 1.00 0.00 N ATOM 180 CA PRO A 12 11.586 0.855 3.032 1.00 0.00 C ATOM 181 C PRO A 12 12.375 0.558 1.761 1.00 0.00 C ATOM 182 O PRO A 12 13.587 0.344 1.807 1.00 0.00 O ATOM 183 CB PRO A 12 12.296 1.927 3.863 1.00 0.00 C ATOM 184 CG PRO A 12 13.111 1.164 4.849 1.00 0.00 C ATOM 185 CD PRO A 12 12.328 -0.083 5.157 1.00 0.00 C ATOM 0 HA PRO A 12 10.594 1.149 2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.924 2.562 3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.580 2.580 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.091 0.918 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.281 1.751 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.984 -0.929 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.693 0.048 6.033 1.00 0.00 H new ATOM 193 N TYR A 13 11.682 0.548 0.628 1.00 0.00 N ATOM 194 CA TYR A 13 12.318 0.275 -0.655 1.00 0.00 C ATOM 195 C TYR A 13 13.514 1.196 -0.877 1.00 0.00 C ATOM 196 O TYR A 13 13.805 2.063 -0.053 1.00 0.00 O ATOM 197 CB TYR A 13 11.310 0.446 -1.793 1.00 0.00 C ATOM 198 CG TYR A 13 11.729 -0.231 -3.079 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.816 -1.615 -3.162 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.040 0.514 -4.210 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.199 -2.238 -4.334 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.422 -0.101 -5.387 1.00 0.00 C ATOM 203 CZ TYR A 13 12.500 -1.477 -5.444 1.00 0.00 C ATOM 204 OH TYR A 13 12.882 -2.092 -6.614 1.00 0.00 O ATOM 0 H TYR A 13 10.679 0.726 0.572 1.00 0.00 H new ATOM 0 HA TYR A 13 12.673 -0.755 -0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.347 0.044 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.165 1.510 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.580 -2.214 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.982 1.592 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.262 -3.315 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.658 0.493 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 13 13.057 -1.413 -7.299 1.00 0.00 H new ATOM 214 N ALA A 14 14.202 1.001 -1.997 1.00 0.00 N ATOM 215 CA ALA A 14 15.365 1.815 -2.330 1.00 0.00 C ATOM 216 C ALA A 14 15.094 3.292 -2.068 1.00 0.00 C ATOM 217 O ALA A 14 13.953 3.694 -1.839 1.00 0.00 O ATOM 218 CB ALA A 14 15.761 1.599 -3.783 1.00 0.00 C ATOM 0 H ALA A 14 13.975 0.287 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 14 16.191 1.505 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.631 2.213 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.005 0.548 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.932 1.881 -4.432 1.00 0.00 H new ATOM 224 N LEU A 15 16.150 4.097 -2.102 1.00 0.00 N ATOM 225 CA LEU A 15 16.027 5.532 -1.867 1.00 0.00 C ATOM 226 C LEU A 15 14.967 6.144 -2.778 1.00 0.00 C ATOM 227 O LEU A 15 14.391 7.186 -2.466 1.00 0.00 O ATOM 228 CB LEU A 15 17.372 6.224 -2.095 1.00 0.00 C ATOM 229 CG LEU A 15 18.585 5.567 -1.434 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.857 6.325 -1.781 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.398 5.499 0.075 1.00 0.00 C ATOM 0 H LEU A 15 17.101 3.781 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 15 15.720 5.680 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.553 6.278 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.297 7.249 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 15 18.676 4.550 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.710 5.843 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.999 6.323 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.776 7.353 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.270 5.029 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.281 6.507 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.509 4.912 0.305 1.00 0.00 H new ATOM 243 N LYS A 16 14.713 5.487 -3.905 1.00 0.00 N ATOM 244 CA LYS A 16 13.719 5.963 -4.860 1.00 0.00 C ATOM 245 C LYS A 16 12.482 6.490 -4.142 1.00 0.00 C ATOM 246 O LYS A 16 11.803 7.391 -4.633 1.00 0.00 O ATOM 247 CB LYS A 16 13.325 4.838 -5.820 1.00 0.00 C ATOM 248 CG LYS A 16 14.489 4.289 -6.626 1.00 0.00 C ATOM 249 CD LYS A 16 14.796 5.166 -7.829 1.00 0.00 C ATOM 250 CE LYS A 16 15.519 4.386 -8.917 1.00 0.00 C ATOM 251 NZ LYS A 16 14.643 3.351 -9.532 1.00 0.00 N ATOM 0 H LYS A 16 15.182 4.624 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 16 14.161 6.780 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.875 4.026 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.562 5.207 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.372 4.219 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.256 3.278 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.868 5.575 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.409 6.012 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.865 5.074 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.404 3.909 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.996 3.117 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.648 2.496 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.672 3.716 -9.604 1.00 0.00 H new ATOM 265 N GLY A 17 12.194 5.923 -2.974 1.00 0.00 N ATOM 266 CA GLY A 17 11.039 6.351 -2.206 1.00 0.00 C ATOM 267 C GLY A 17 9.920 5.329 -2.226 1.00 0.00 C ATOM 268 O GLY A 17 8.753 5.673 -2.044 1.00 0.00 O ATOM 0 H GLY A 17 12.740 5.175 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.340 6.536 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.671 7.296 -2.605 1.00 0.00 H new ATOM 272 N GLY A 18 10.276 4.067 -2.449 1.00 0.00 N ATOM 273 CA GLY A 18 9.280 3.012 -2.490 1.00 0.00 C ATOM 274 C GLY A 18 9.108 2.326 -1.149 1.00 0.00 C ATOM 275 O GLY A 18 9.985 2.399 -0.288 1.00 0.00 O ATOM 0 H GLY A 18 11.236 3.757 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.324 3.431 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.568 2.274 -3.238 1.00 0.00 H new ATOM 279 N LEU A 19 7.973 1.658 -0.970 1.00 0.00 N ATOM 280 CA LEU A 19 7.687 0.957 0.276 1.00 0.00 C ATOM 281 C LEU A 19 7.208 -0.466 0.003 1.00 0.00 C ATOM 282 O LEU A 19 6.260 -0.678 -0.752 1.00 0.00 O ATOM 283 CB LEU A 19 6.631 1.716 1.081 1.00 0.00 C ATOM 284 CG LEU A 19 7.126 2.944 1.847 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.965 3.864 2.189 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.864 2.523 3.110 1.00 0.00 C ATOM 0 H LEU A 19 7.237 1.588 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 19 8.609 0.906 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.841 2.032 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.180 1.025 1.794 1.00 0.00 H new ATOM 0 HG LEU A 19 7.820 3.491 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.337 4.732 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.479 4.193 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.246 3.328 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.209 3.409 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.192 1.953 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.720 1.904 2.842 1.00 0.00 H new ATOM 298 N ARG A 20 7.870 -1.437 0.625 1.00 0.00 N ATOM 299 CA ARG A 20 7.511 -2.839 0.449 1.00 0.00 C ATOM 300 C ARG A 20 6.125 -3.121 1.022 1.00 0.00 C ATOM 301 O ARG A 20 5.950 -3.205 2.238 1.00 0.00 O ATOM 302 CB ARG A 20 8.547 -3.740 1.124 1.00 0.00 C ATOM 303 CG ARG A 20 9.901 -3.736 0.432 1.00 0.00 C ATOM 304 CD ARG A 20 10.709 -4.976 0.783 1.00 0.00 C ATOM 305 NE ARG A 20 12.101 -4.859 0.357 1.00 0.00 N ATOM 306 CZ ARG A 20 13.002 -5.822 0.520 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.658 -6.966 1.096 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.250 -5.641 0.106 1.00 0.00 N ATOM 0 H ARG A 20 8.657 -1.278 1.254 1.00 0.00 H new ATOM 0 HA ARG A 20 7.494 -3.053 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.676 -3.420 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.166 -4.761 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.759 -3.686 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.457 -2.844 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.672 -5.140 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.257 -5.849 0.311 1.00 0.00 H new ATOM 0 HE ARG A 20 12.398 -3.991 -0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.700 -7.108 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.352 -7.703 1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.518 -4.762 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.941 -6.381 0.231 1.00 0.00 H new ATOM 322 N PHE A 21 5.144 -3.266 0.138 1.00 0.00 N ATOM 323 CA PHE A 21 3.773 -3.538 0.555 1.00 0.00 C ATOM 324 C PHE A 21 3.390 -4.984 0.255 1.00 0.00 C ATOM 325 O PHE A 21 3.468 -5.433 -0.888 1.00 0.00 O ATOM 326 CB PHE A 21 2.805 -2.585 -0.149 1.00 0.00 C ATOM 327 CG PHE A 21 1.373 -3.035 -0.093 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.617 -2.842 1.051 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.784 -3.653 -1.185 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.701 -3.255 1.106 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.533 -4.068 -1.136 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.276 -3.869 0.011 1.00 0.00 C ATOM 0 H PHE A 21 5.272 -3.200 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 21 3.709 -3.380 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.885 -1.598 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.104 -2.481 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.062 -2.363 1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.361 -3.812 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.280 -3.098 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.981 -4.548 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.305 -4.193 0.051 1.00 0.00 H new ATOM 342 N ARG A 22 2.976 -5.707 1.291 1.00 0.00 N ATOM 343 CA ARG A 22 2.582 -7.102 1.139 1.00 0.00 C ATOM 344 C ARG A 22 1.079 -7.268 1.343 1.00 0.00 C ATOM 345 O ARG A 22 0.602 -7.367 2.472 1.00 0.00 O ATOM 346 CB ARG A 22 3.342 -7.980 2.135 1.00 0.00 C ATOM 347 CG ARG A 22 3.575 -9.399 1.643 1.00 0.00 C ATOM 348 CD ARG A 22 2.356 -10.278 1.880 1.00 0.00 C ATOM 349 NE ARG A 22 1.936 -10.264 3.279 1.00 0.00 N ATOM 350 CZ ARG A 22 0.750 -10.697 3.694 1.00 0.00 C ATOM 351 NH1 ARG A 22 -0.126 -11.176 2.822 1.00 0.00 N ATOM 352 NH2 ARG A 22 0.441 -10.652 4.983 1.00 0.00 N ATOM 0 H ARG A 22 2.905 -5.350 2.244 1.00 0.00 H new ATOM 0 HA ARG A 22 2.831 -7.415 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.305 -7.518 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.786 -8.016 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.812 -9.382 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.438 -9.826 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.534 -9.936 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.583 -11.301 1.580 1.00 0.00 H new ATOM 0 HE ARG A 22 2.588 -9.902 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.110 -11.213 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.036 -11.508 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.114 -10.285 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.469 -10.984 5.301 1.00 0.00 H new ATOM 366 N GLY A 23 0.337 -7.297 0.240 1.00 0.00 N ATOM 367 CA GLY A 23 -1.104 -7.450 0.319 1.00 0.00 C ATOM 368 C GLY A 23 -1.656 -8.324 -0.790 1.00 0.00 C ATOM 369 O GLY A 23 -0.924 -8.728 -1.692 1.00 0.00 O ATOM 0 H GLY A 23 0.708 -7.217 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.368 -7.883 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.574 -6.468 0.271 1.00 0.00 H new ATOM 373 N GLU A 24 -2.951 -8.617 -0.721 1.00 0.00 N ATOM 374 CA GLU A 24 -3.599 -9.452 -1.726 1.00 0.00 C ATOM 375 C GLU A 24 -3.337 -8.915 -3.130 1.00 0.00 C ATOM 376 O GLU A 24 -3.025 -7.739 -3.324 1.00 0.00 O ATOM 377 CB GLU A 24 -5.105 -9.524 -1.468 1.00 0.00 C ATOM 378 CG GLU A 24 -5.490 -10.519 -0.386 1.00 0.00 C ATOM 379 CD GLU A 24 -4.702 -11.811 -0.475 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.951 -12.594 -1.415 1.00 0.00 O ATOM 381 OE2 GLU A 24 -3.837 -12.040 0.396 1.00 0.00 O ATOM 0 H GLU A 24 -3.571 -8.289 0.019 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.178 -10.455 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.464 -8.535 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.611 -9.794 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.329 -10.066 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.554 -10.741 -0.464 1.00 0.00 H new ATOM 388 N PRO A 25 -3.467 -9.795 -4.134 1.00 0.00 N ATOM 389 CA PRO A 25 -3.249 -9.433 -5.538 1.00 0.00 C ATOM 390 C PRO A 25 -4.340 -8.512 -6.074 1.00 0.00 C ATOM 391 O PRO A 25 -4.199 -7.927 -7.148 1.00 0.00 O ATOM 392 CB PRO A 25 -3.284 -10.781 -6.261 1.00 0.00 C ATOM 393 CG PRO A 25 -4.108 -11.660 -5.385 1.00 0.00 C ATOM 394 CD PRO A 25 -3.836 -11.212 -3.976 1.00 0.00 C ATOM 0 HA PRO A 25 -2.318 -8.883 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.725 -10.686 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.280 -11.185 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.167 -11.569 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.840 -12.708 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.713 -11.330 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.031 -11.788 -3.519 1.00 0.00 H new ATOM 402 N VAL A 26 -5.427 -8.387 -5.320 1.00 0.00 N ATOM 403 CA VAL A 26 -6.541 -7.535 -5.719 1.00 0.00 C ATOM 404 C VAL A 26 -6.142 -6.064 -5.700 1.00 0.00 C ATOM 405 O VAL A 26 -6.844 -5.212 -6.246 1.00 0.00 O ATOM 406 CB VAL A 26 -7.760 -7.737 -4.799 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.463 -7.222 -3.399 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.986 -7.049 -5.381 1.00 0.00 C ATOM 0 H VAL A 26 -5.560 -8.865 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.811 -7.822 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.969 -8.804 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.335 -7.373 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.613 -7.765 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.227 -6.159 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.838 -7.202 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.791 -5.981 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.209 -7.470 -6.361 1.00 0.00 H new ATOM 418 N VAL A 27 -5.010 -5.771 -5.069 1.00 0.00 N ATOM 419 CA VAL A 27 -4.516 -4.402 -4.980 1.00 0.00 C ATOM 420 C VAL A 27 -4.108 -3.875 -6.352 1.00 0.00 C ATOM 421 O VAL A 27 -3.917 -2.672 -6.535 1.00 0.00 O ATOM 422 CB VAL A 27 -3.312 -4.301 -4.025 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.081 -4.945 -4.646 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.039 -2.849 -3.665 1.00 0.00 C ATOM 0 H VAL A 27 -4.417 -6.464 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.333 -3.795 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.551 -4.841 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.241 -4.864 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.284 -5.997 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.836 -4.437 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.185 -2.796 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.820 -2.284 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.916 -2.424 -3.176 1.00 0.00 H new ATOM 434 N LEU A 28 -3.976 -4.783 -7.313 1.00 0.00 N ATOM 435 CA LEU A 28 -3.592 -4.410 -8.670 1.00 0.00 C ATOM 436 C LEU A 28 -4.732 -3.687 -9.380 1.00 0.00 C ATOM 437 O LEU A 28 -4.576 -3.217 -10.507 1.00 0.00 O ATOM 438 CB LEU A 28 -3.185 -5.652 -9.465 1.00 0.00 C ATOM 439 CG LEU A 28 -2.050 -6.487 -8.872 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.629 -7.580 -9.842 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.865 -5.601 -8.517 1.00 0.00 C ATOM 0 H LEU A 28 -4.129 -5.782 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.741 -3.732 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.061 -6.292 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.893 -5.338 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.411 -6.959 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.820 -8.164 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.478 -8.232 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.286 -7.128 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.067 -6.212 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.503 -5.100 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.175 -4.855 -7.785 1.00 0.00 H new ATOM 453 N HIS A 29 -5.878 -3.601 -8.712 1.00 0.00 N ATOM 454 CA HIS A 29 -7.044 -2.933 -9.278 1.00 0.00 C ATOM 455 C HIS A 29 -7.400 -1.686 -8.474 1.00 0.00 C ATOM 456 O HIS A 29 -8.292 -0.925 -8.850 1.00 0.00 O ATOM 457 CB HIS A 29 -8.238 -3.888 -9.315 1.00 0.00 C ATOM 458 CG HIS A 29 -8.135 -4.933 -10.382 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.671 -4.777 -11.643 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.552 -6.155 -10.371 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.424 -5.858 -12.361 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.746 -6.709 -11.613 1.00 0.00 N ATOM 0 H HIS A 29 -6.024 -3.985 -7.779 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.799 -2.630 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.331 -4.378 -8.346 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.150 -3.311 -9.470 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.032 -6.609 -9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.725 -6.018 -13.386 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.419 -7.629 -11.909 1.00 0.00 H new ATOM 470 N LEU A 30 -6.698 -1.483 -7.364 1.00 0.00 N ATOM 471 CA LEU A 30 -6.940 -0.329 -6.506 1.00 0.00 C ATOM 472 C LEU A 30 -6.236 0.911 -7.049 1.00 0.00 C ATOM 473 O LEU A 30 -5.490 0.835 -8.025 1.00 0.00 O ATOM 474 CB LEU A 30 -6.461 -0.618 -5.082 1.00 0.00 C ATOM 475 CG LEU A 30 -7.344 -1.553 -4.254 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.706 -1.830 -2.902 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.734 -0.959 -4.079 1.00 0.00 C ATOM 0 H LEU A 30 -5.957 -2.103 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.013 -0.138 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.461 -1.049 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.371 0.330 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.440 -2.498 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.348 -2.497 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.733 -2.300 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.579 -0.892 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.348 -1.638 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.658 0.000 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.193 -0.813 -5.057 1.00 0.00 H new ATOM 489 N GLU A 31 -6.478 2.050 -6.408 1.00 0.00 N ATOM 490 CA GLU A 31 -5.865 3.306 -6.827 1.00 0.00 C ATOM 491 C GLU A 31 -5.293 4.058 -5.629 1.00 0.00 C ATOM 492 O GLU A 31 -4.247 4.700 -5.728 1.00 0.00 O ATOM 493 CB GLU A 31 -6.890 4.182 -7.552 1.00 0.00 C ATOM 494 CG GLU A 31 -7.522 3.508 -8.758 1.00 0.00 C ATOM 495 CD GLU A 31 -8.318 4.473 -9.615 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.353 4.979 -9.132 1.00 0.00 O ATOM 497 OE2 GLU A 31 -7.906 4.722 -10.767 1.00 0.00 O ATOM 0 H GLU A 31 -7.093 2.129 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.049 3.073 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.675 4.464 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.405 5.103 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.741 3.049 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.176 2.704 -8.419 1.00 0.00 H new ATOM 504 N ARG A 32 -5.987 3.975 -4.499 1.00 0.00 N ATOM 505 CA ARG A 32 -5.550 4.649 -3.282 1.00 0.00 C ATOM 506 C ARG A 32 -5.426 3.660 -2.127 1.00 0.00 C ATOM 507 O ARG A 32 -5.840 2.505 -2.238 1.00 0.00 O ATOM 508 CB ARG A 32 -6.530 5.763 -2.911 1.00 0.00 C ATOM 509 CG ARG A 32 -7.817 5.257 -2.279 1.00 0.00 C ATOM 510 CD ARG A 32 -8.543 6.364 -1.531 1.00 0.00 C ATOM 511 NE ARG A 32 -9.084 7.373 -2.436 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.387 8.611 -2.060 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.201 8.990 -0.803 1.00 0.00 N ATOM 514 NH2 ARG A 32 -9.876 9.473 -2.943 1.00 0.00 N ATOM 0 H ARG A 32 -6.855 3.448 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.569 5.085 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.041 6.450 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.775 6.333 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.469 4.851 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.590 4.441 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.353 5.933 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.857 6.838 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.238 7.114 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.824 8.331 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.434 9.941 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.019 9.185 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.108 10.423 -2.654 1.00 0.00 H new ATOM 528 N VAL A 33 -4.854 4.120 -1.019 1.00 0.00 N ATOM 529 CA VAL A 33 -4.676 3.276 0.157 1.00 0.00 C ATOM 530 C VAL A 33 -4.905 4.067 1.440 1.00 0.00 C ATOM 531 O VAL A 33 -5.099 5.282 1.406 1.00 0.00 O ATOM 532 CB VAL A 33 -3.267 2.655 0.194 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.147 1.541 -0.836 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.208 3.722 -0.038 1.00 0.00 C ATOM 0 H VAL A 33 -4.506 5.073 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.415 2.478 0.089 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.105 2.224 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.145 1.114 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.881 0.765 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.329 1.945 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.219 3.265 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.365 4.185 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.280 4.482 0.740 1.00 0.00 H new ATOM 544 N TYR A 34 -4.880 3.370 2.570 1.00 0.00 N ATOM 545 CA TYR A 34 -5.086 4.006 3.866 1.00 0.00 C ATOM 546 C TYR A 34 -3.992 3.605 4.850 1.00 0.00 C ATOM 547 O TYR A 34 -3.868 2.436 5.217 1.00 0.00 O ATOM 548 CB TYR A 34 -6.458 3.630 4.429 1.00 0.00 C ATOM 549 CG TYR A 34 -6.713 4.178 5.815 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.040 5.302 6.275 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.630 3.571 6.665 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.270 5.805 7.541 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.868 4.068 7.932 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.185 5.185 8.365 1.00 0.00 C ATOM 555 OH TYR A 34 -7.418 5.683 9.626 1.00 0.00 O ATOM 0 H TYR A 34 -4.719 2.364 2.615 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.042 5.086 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.232 3.997 3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.546 2.544 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.324 5.792 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.166 2.696 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.736 6.679 7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.585 3.585 8.579 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.091 5.131 10.076 1.00 0.00 H new ATOM 565 N VAL A 35 -3.200 4.584 5.275 1.00 0.00 N ATOM 566 CA VAL A 35 -2.116 4.335 6.219 1.00 0.00 C ATOM 567 C VAL A 35 -2.626 4.343 7.656 1.00 0.00 C ATOM 568 O VAL A 35 -2.749 5.399 8.275 1.00 0.00 O ATOM 569 CB VAL A 35 -0.997 5.384 6.078 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.176 5.039 6.982 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.549 5.492 4.628 1.00 0.00 C ATOM 0 H VAL A 35 -3.288 5.557 4.981 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.712 3.350 5.985 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.390 6.353 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.956 5.791 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.158 5.017 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.572 4.061 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.242 6.238 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.174 4.526 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.394 5.790 4.007 1.00 0.00 H new ATOM 581 N GLU A 36 -2.921 3.157 8.179 1.00 0.00 N ATOM 582 CA GLU A 36 -3.418 3.028 9.544 1.00 0.00 C ATOM 583 C GLU A 36 -2.403 3.570 10.547 1.00 0.00 C ATOM 584 O GLU A 36 -1.437 2.893 10.896 1.00 0.00 O ATOM 585 CB GLU A 36 -3.731 1.563 9.860 1.00 0.00 C ATOM 586 CG GLU A 36 -4.064 1.314 11.321 1.00 0.00 C ATOM 587 CD GLU A 36 -5.543 1.474 11.618 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.165 2.399 11.055 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.078 0.673 12.413 1.00 0.00 O ATOM 0 H GLU A 36 -2.825 2.273 7.679 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.333 3.614 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.570 1.238 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.875 0.949 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.749 0.307 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.496 2.006 11.942 1.00 0.00 H new ATOM 596 N GLY A 37 -2.630 4.797 11.005 1.00 0.00 N ATOM 597 CA GLY A 37 -1.728 5.411 11.962 1.00 0.00 C ATOM 598 C GLY A 37 -1.567 6.900 11.734 1.00 0.00 C ATOM 599 O GLY A 37 -1.508 7.679 12.686 1.00 0.00 O ATOM 0 H GLY A 37 -3.423 5.377 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.102 5.240 12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.752 4.929 11.898 1.00 0.00 H new ATOM 603 N HIS A 38 -1.493 7.300 10.468 1.00 0.00 N ATOM 604 CA HIS A 38 -1.336 8.707 10.118 1.00 0.00 C ATOM 605 C HIS A 38 -2.553 9.214 9.349 1.00 0.00 C ATOM 606 O HIS A 38 -3.412 9.896 9.906 1.00 0.00 O ATOM 607 CB HIS A 38 -0.071 8.909 9.284 1.00 0.00 C ATOM 608 CG HIS A 38 1.195 8.680 10.052 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.378 9.327 9.762 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.458 7.872 11.105 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.314 8.925 10.603 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.781 8.042 11.429 1.00 0.00 N ATOM 0 H HIS A 38 -1.539 6.669 9.668 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.248 9.278 11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.096 8.232 8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.066 9.924 8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.757 7.215 11.599 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.340 9.261 10.614 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.273 7.564 12.184 1.00 0.00 H new ATOM 620 N GLY A 39 -2.618 8.876 8.065 1.00 0.00 N ATOM 621 CA GLY A 39 -3.732 9.307 7.240 1.00 0.00 C ATOM 622 C GLY A 39 -3.875 8.478 5.979 1.00 0.00 C ATOM 623 O GLY A 39 -3.101 7.549 5.749 1.00 0.00 O ATOM 0 H GLY A 39 -1.920 8.312 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.654 9.245 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.596 10.354 6.969 1.00 0.00 H new ATOM 627 N TRP A 40 -4.866 8.813 5.162 1.00 0.00 N ATOM 628 CA TRP A 40 -5.109 8.091 3.918 1.00 0.00 C ATOM 629 C TRP A 40 -4.132 8.532 2.834 1.00 0.00 C ATOM 630 O TRP A 40 -4.001 9.723 2.550 1.00 0.00 O ATOM 631 CB TRP A 40 -6.547 8.314 3.447 1.00 0.00 C ATOM 632 CG TRP A 40 -7.523 7.345 4.041 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.036 7.369 5.307 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.103 6.207 3.394 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.899 6.315 5.485 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.958 5.588 4.326 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.984 5.652 2.117 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.688 4.442 4.021 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.709 4.514 1.815 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.552 3.920 2.763 1.00 0.00 C ATOM 0 H TRP A 40 -5.515 9.580 5.338 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.957 7.028 4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.852 9.329 3.702 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.582 8.234 2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.798 8.108 6.058 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.413 6.108 6.342 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.337 6.104 1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.338 3.982 4.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.624 4.076 0.832 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.106 3.032 2.496 1.00 0.00 H new ATOM 651 N ARG A 41 -3.447 7.565 2.232 1.00 0.00 N ATOM 652 CA ARG A 41 -2.481 7.854 1.179 1.00 0.00 C ATOM 653 C ARG A 41 -2.976 7.340 -0.170 1.00 0.00 C ATOM 654 O ARG A 41 -3.944 6.583 -0.239 1.00 0.00 O ATOM 655 CB ARG A 41 -1.128 7.223 1.512 1.00 0.00 C ATOM 656 CG ARG A 41 -0.308 8.027 2.507 1.00 0.00 C ATOM 657 CD ARG A 41 0.206 9.319 1.891 1.00 0.00 C ATOM 658 NE ARG A 41 0.871 10.168 2.875 1.00 0.00 N ATOM 659 CZ ARG A 41 1.510 11.291 2.564 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.570 11.697 1.304 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.092 12.010 3.516 1.00 0.00 N ATOM 0 H ARG A 41 -3.543 6.574 2.456 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.364 8.936 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.292 6.223 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.555 7.107 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.918 8.257 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.534 7.428 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.902 9.085 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.626 9.864 1.445 1.00 0.00 H new ATOM 0 HE ARG A 41 0.844 9.884 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.125 11.147 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.061 12.559 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.049 11.701 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.582 12.872 3.277 1.00 0.00 H new ATOM 675 N ALA A 42 -2.306 7.758 -1.239 1.00 0.00 N ATOM 676 CA ALA A 42 -2.677 7.339 -2.585 1.00 0.00 C ATOM 677 C ALA A 42 -1.553 6.545 -3.241 1.00 0.00 C ATOM 678 O ALA A 42 -0.384 6.694 -2.884 1.00 0.00 O ATOM 679 CB ALA A 42 -3.036 8.550 -3.434 1.00 0.00 C ATOM 0 H ALA A 42 -1.504 8.386 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.549 6.690 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.311 8.223 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.876 9.076 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.178 9.220 -3.494 1.00 0.00 H new ATOM 685 N ILE A 43 -1.915 5.700 -4.201 1.00 0.00 N ATOM 686 CA ILE A 43 -0.937 4.883 -4.907 1.00 0.00 C ATOM 687 C ILE A 43 -0.559 5.510 -6.245 1.00 0.00 C ATOM 688 O ILE A 43 -1.423 5.955 -6.999 1.00 0.00 O ATOM 689 CB ILE A 43 -1.466 3.457 -5.153 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.875 2.807 -3.830 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.414 2.616 -5.860 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.420 1.405 -3.989 1.00 0.00 C ATOM 0 H ILE A 43 -2.878 5.564 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.054 4.830 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.345 3.517 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.011 2.779 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.629 3.429 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.803 1.611 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.167 3.073 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.482 2.560 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.689 1.006 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.303 1.428 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.661 0.769 -4.443 1.00 0.00 H new ATOM 704 N GLU A 44 0.739 5.539 -6.533 1.00 0.00 N ATOM 705 CA GLU A 44 1.230 6.111 -7.781 1.00 0.00 C ATOM 706 C GLU A 44 1.761 5.021 -8.708 1.00 0.00 C ATOM 707 O GLU A 44 1.485 5.022 -9.907 1.00 0.00 O ATOM 708 CB GLU A 44 2.331 7.136 -7.500 1.00 0.00 C ATOM 709 CG GLU A 44 1.857 8.329 -6.687 1.00 0.00 C ATOM 710 CD GLU A 44 0.954 9.254 -7.479 1.00 0.00 C ATOM 711 OE1 GLU A 44 -0.092 8.783 -7.973 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.293 10.449 -7.605 1.00 0.00 O ATOM 0 H GLU A 44 1.468 5.174 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 44 0.396 6.610 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.146 6.645 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.737 7.490 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.323 7.974 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.722 8.889 -6.332 1.00 0.00 H new ATOM 719 N ASP A 45 2.525 4.092 -8.142 1.00 0.00 N ATOM 720 CA ASP A 45 3.094 2.995 -8.916 1.00 0.00 C ATOM 721 C ASP A 45 3.510 1.845 -8.004 1.00 0.00 C ATOM 722 O ASP A 45 3.997 2.064 -6.894 1.00 0.00 O ATOM 723 CB ASP A 45 4.299 3.484 -9.722 1.00 0.00 C ATOM 724 CG ASP A 45 3.891 4.221 -10.982 1.00 0.00 C ATOM 725 OD1 ASP A 45 2.938 3.771 -11.652 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.525 5.250 -11.298 1.00 0.00 O ATOM 0 H ASP A 45 2.764 4.077 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 45 2.329 2.632 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.906 4.142 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.924 2.632 -9.989 1.00 0.00 H new ATOM 731 N LEU A 46 3.312 0.620 -8.478 1.00 0.00 N ATOM 732 CA LEU A 46 3.665 -0.566 -7.705 1.00 0.00 C ATOM 733 C LEU A 46 3.943 -1.752 -8.623 1.00 0.00 C ATOM 734 O LEU A 46 3.605 -1.725 -9.807 1.00 0.00 O ATOM 735 CB LEU A 46 2.541 -0.914 -6.728 1.00 0.00 C ATOM 736 CG LEU A 46 1.348 -1.666 -7.318 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.671 -3.144 -7.471 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.114 -1.476 -6.448 1.00 0.00 C ATOM 0 H LEU A 46 2.909 0.422 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 46 4.572 -0.347 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.961 -1.515 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.177 0.011 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 46 1.138 -1.256 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.810 -3.663 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.527 -3.262 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.908 -3.568 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.725 -2.018 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.313 -1.858 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.130 -0.415 -6.390 1.00 0.00 H new ATOM 750 N TYR A 47 4.557 -2.791 -8.069 1.00 0.00 N ATOM 751 CA TYR A 47 4.880 -3.987 -8.838 1.00 0.00 C ATOM 752 C TYR A 47 5.352 -5.112 -7.923 1.00 0.00 C ATOM 753 O TYR A 47 6.065 -4.876 -6.948 1.00 0.00 O ATOM 754 CB TYR A 47 5.957 -3.675 -9.878 1.00 0.00 C ATOM 755 CG TYR A 47 6.997 -2.689 -9.395 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.975 -3.070 -8.486 1.00 0.00 C ATOM 757 CD2 TYR A 47 7.002 -1.376 -9.850 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.927 -2.173 -8.042 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.950 -0.472 -9.413 1.00 0.00 C ATOM 760 CZ TYR A 47 8.910 -0.875 -8.508 1.00 0.00 C ATOM 761 OH TYR A 47 9.857 0.022 -8.069 1.00 0.00 O ATOM 0 H TYR A 47 4.841 -2.829 -7.090 1.00 0.00 H new ATOM 0 HA TYR A 47 3.975 -4.314 -9.349 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.453 -4.602 -10.165 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.481 -3.278 -10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.992 -4.086 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.251 -1.057 -10.558 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.680 -2.486 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.940 0.545 -9.778 1.00 0.00 H new ATOM 0 HH TYR A 47 9.450 0.637 -7.423 1.00 0.00 H new ATOM 771 N ARG A 48 4.948 -6.337 -8.245 1.00 0.00 N ATOM 772 CA ARG A 48 5.328 -7.500 -7.452 1.00 0.00 C ATOM 773 C ARG A 48 6.753 -7.938 -7.779 1.00 0.00 C ATOM 774 O ARG A 48 6.987 -8.639 -8.764 1.00 0.00 O ATOM 775 CB ARG A 48 4.357 -8.655 -7.704 1.00 0.00 C ATOM 776 CG ARG A 48 3.891 -8.755 -9.147 1.00 0.00 C ATOM 777 CD ARG A 48 2.625 -7.947 -9.381 1.00 0.00 C ATOM 778 NE ARG A 48 1.420 -8.740 -9.151 1.00 0.00 N ATOM 779 CZ ARG A 48 1.043 -9.747 -9.930 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.773 -10.083 -10.985 1.00 0.00 N ATOM 781 NH2 ARG A 48 -0.067 -10.420 -9.656 1.00 0.00 N ATOM 0 H ARG A 48 4.358 -6.549 -9.049 1.00 0.00 H new ATOM 0 HA ARG A 48 5.284 -7.221 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.838 -9.591 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.487 -8.535 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.679 -8.399 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.709 -9.799 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.620 -7.080 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.620 -7.568 -10.403 1.00 0.00 H new ATOM 0 HE ARG A 48 0.836 -8.507 -8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.627 -9.567 -11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.481 -10.857 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.632 -10.164 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.356 -11.193 -10.255 1.00 0.00 H new ATOM 795 N VAL A 49 7.701 -7.521 -6.946 1.00 0.00 N ATOM 796 CA VAL A 49 9.102 -7.870 -7.146 1.00 0.00 C ATOM 797 C VAL A 49 9.390 -9.286 -6.659 1.00 0.00 C ATOM 798 O VAL A 49 9.494 -9.531 -5.458 1.00 0.00 O ATOM 799 CB VAL A 49 10.036 -6.888 -6.415 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.492 -7.265 -6.641 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.769 -5.461 -6.870 1.00 0.00 C ATOM 0 H VAL A 49 7.524 -6.941 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 49 9.293 -7.811 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 49 9.833 -6.949 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.136 -6.559 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.671 -8.271 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.714 -7.235 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.438 -4.780 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.943 -5.383 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.735 -5.196 -6.650 1.00 0.00 H new ATOM 811 N GLY A 50 9.518 -10.216 -7.601 1.00 0.00 N ATOM 812 CA GLY A 50 9.794 -11.596 -7.248 1.00 0.00 C ATOM 813 C GLY A 50 8.698 -12.206 -6.396 1.00 0.00 C ATOM 814 O GLY A 50 7.649 -12.594 -6.908 1.00 0.00 O ATOM 0 H GLY A 50 9.435 -10.038 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.912 -12.184 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.740 -11.648 -6.709 1.00 0.00 H new ATOM 818 N GLU A 51 8.944 -12.292 -5.092 1.00 0.00 N ATOM 819 CA GLU A 51 7.970 -12.862 -4.168 1.00 0.00 C ATOM 820 C GLU A 51 7.471 -11.808 -3.184 1.00 0.00 C ATOM 821 O GLU A 51 7.125 -12.122 -2.046 1.00 0.00 O ATOM 822 CB GLU A 51 8.585 -14.038 -3.405 1.00 0.00 C ATOM 823 CG GLU A 51 9.892 -13.695 -2.711 1.00 0.00 C ATOM 824 CD GLU A 51 10.409 -14.830 -1.848 1.00 0.00 C ATOM 825 OE1 GLU A 51 9.938 -14.964 -0.699 1.00 0.00 O ATOM 826 OE2 GLU A 51 11.284 -15.585 -2.322 1.00 0.00 O ATOM 0 H GLU A 51 9.808 -11.975 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 51 7.121 -13.220 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.870 -14.392 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.757 -14.861 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.642 -13.443 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.749 -12.809 -2.092 1.00 0.00 H new ATOM 833 N GLU A 52 7.439 -10.557 -3.633 1.00 0.00 N ATOM 834 CA GLU A 52 6.985 -9.456 -2.791 1.00 0.00 C ATOM 835 C GLU A 52 6.391 -8.333 -3.637 1.00 0.00 C ATOM 836 O GLU A 52 6.409 -8.392 -4.868 1.00 0.00 O ATOM 837 CB GLU A 52 8.143 -8.917 -1.949 1.00 0.00 C ATOM 838 CG GLU A 52 8.798 -9.970 -1.070 1.00 0.00 C ATOM 839 CD GLU A 52 9.677 -9.366 0.007 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.181 -8.509 0.768 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.863 -9.750 0.089 1.00 0.00 O ATOM 0 H GLU A 52 7.722 -10.281 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 52 6.209 -9.837 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.895 -8.490 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.777 -8.107 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.025 -10.580 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.397 -10.635 -1.692 1.00 0.00 H new ATOM 848 N LEU A 53 5.866 -7.312 -2.970 1.00 0.00 N ATOM 849 CA LEU A 53 5.267 -6.175 -3.659 1.00 0.00 C ATOM 850 C LEU A 53 5.771 -4.858 -3.078 1.00 0.00 C ATOM 851 O LEU A 53 5.928 -4.723 -1.864 1.00 0.00 O ATOM 852 CB LEU A 53 3.742 -6.239 -3.559 1.00 0.00 C ATOM 853 CG LEU A 53 3.023 -6.948 -4.708 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.752 -7.618 -4.210 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.706 -5.965 -5.826 1.00 0.00 C ATOM 0 H LEU A 53 5.843 -7.248 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 53 5.559 -6.223 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.480 -6.741 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.359 -5.221 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 53 3.684 -7.718 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.254 -8.117 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.004 -8.352 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.086 -6.866 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.195 -6.487 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.064 -5.172 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.632 -5.531 -6.202 1.00 0.00 H new ATOM 867 N VAL A 54 6.020 -3.888 -3.952 1.00 0.00 N ATOM 868 CA VAL A 54 6.503 -2.580 -3.525 1.00 0.00 C ATOM 869 C VAL A 54 5.576 -1.469 -4.004 1.00 0.00 C ATOM 870 O VAL A 54 5.561 -1.124 -5.186 1.00 0.00 O ATOM 871 CB VAL A 54 7.926 -2.308 -4.050 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.381 -0.910 -3.660 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.895 -3.358 -3.528 1.00 0.00 C ATOM 0 H VAL A 54 5.895 -3.983 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 54 6.521 -2.590 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 54 7.911 -2.369 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.388 -0.736 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.700 -0.173 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.381 -0.817 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.895 -3.151 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.908 -3.331 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.577 -4.345 -3.863 1.00 0.00 H new ATOM 883 N VAL A 55 4.803 -0.910 -3.079 1.00 0.00 N ATOM 884 CA VAL A 55 3.873 0.164 -3.406 1.00 0.00 C ATOM 885 C VAL A 55 4.505 1.530 -3.167 1.00 0.00 C ATOM 886 O VAL A 55 5.163 1.753 -2.150 1.00 0.00 O ATOM 887 CB VAL A 55 2.579 0.058 -2.577 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.688 1.267 -2.820 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.842 -1.232 -2.903 1.00 0.00 C ATOM 0 H VAL A 55 4.802 -1.183 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 55 3.629 0.060 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 55 2.846 0.040 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.779 1.174 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.219 2.174 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.427 1.320 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.930 -1.290 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.586 -1.247 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.481 -2.084 -2.672 1.00 0.00 H new ATOM 899 N HIS A 56 4.303 2.443 -4.112 1.00 0.00 N ATOM 900 CA HIS A 56 4.853 3.790 -4.004 1.00 0.00 C ATOM 901 C HIS A 56 3.753 4.803 -3.700 1.00 0.00 C ATOM 902 O HIS A 56 3.029 5.237 -4.597 1.00 0.00 O ATOM 903 CB HIS A 56 5.573 4.174 -5.296 1.00 0.00 C ATOM 904 CG HIS A 56 6.813 3.374 -5.551 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.085 3.880 -5.381 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.972 2.094 -5.965 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.971 2.948 -5.681 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.322 1.854 -6.037 1.00 0.00 N ATOM 0 H HIS A 56 3.763 2.275 -4.961 1.00 0.00 H new ATOM 0 HA HIS A 56 5.568 3.799 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.889 4.046 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.835 5.231 -5.256 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.307 4.826 -5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.184 1.393 -6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.044 3.061 -5.642 1.00 0.00 H new ATOM 916 N LEU A 57 3.634 5.176 -2.431 1.00 0.00 N ATOM 917 CA LEU A 57 2.622 6.138 -2.008 1.00 0.00 C ATOM 918 C LEU A 57 2.950 7.536 -2.523 1.00 0.00 C ATOM 919 O LEU A 57 4.114 7.867 -2.749 1.00 0.00 O ATOM 920 CB LEU A 57 2.513 6.157 -0.483 1.00 0.00 C ATOM 921 CG LEU A 57 2.237 4.810 0.187 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.371 4.928 1.698 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.854 4.301 -0.189 1.00 0.00 C ATOM 0 H LEU A 57 4.226 4.827 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 57 1.666 5.830 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.442 6.558 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.718 6.849 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 57 2.976 4.091 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.171 3.960 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.382 5.247 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.656 5.661 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.675 3.342 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.101 5.019 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.793 4.177 -1.270 1.00 0.00 H new ATOM 935 N ALA A 58 1.917 8.352 -2.705 1.00 0.00 N ATOM 936 CA ALA A 58 2.097 9.715 -3.189 1.00 0.00 C ATOM 937 C ALA A 58 2.796 10.580 -2.147 1.00 0.00 C ATOM 938 O ALA A 58 2.352 10.672 -1.003 1.00 0.00 O ATOM 939 CB ALA A 58 0.753 10.322 -3.567 1.00 0.00 C ATOM 0 H ALA A 58 0.947 8.093 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 58 2.730 9.679 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.902 11.340 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.291 9.723 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.102 10.338 -2.693 1.00 0.00 H new ATOM 945 N GLY A 59 3.894 11.214 -2.549 1.00 0.00 N ATOM 946 CA GLY A 59 4.637 12.063 -1.637 1.00 0.00 C ATOM 947 C GLY A 59 5.925 11.417 -1.163 1.00 0.00 C ATOM 948 O GLY A 59 6.951 12.085 -1.033 1.00 0.00 O ATOM 0 H GLY A 59 4.282 11.154 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.868 13.007 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.013 12.298 -0.775 1.00 0.00 H new ATOM 952 N VAL A 60 5.871 10.115 -0.903 1.00 0.00 N ATOM 953 CA VAL A 60 7.042 9.379 -0.440 1.00 0.00 C ATOM 954 C VAL A 60 8.056 9.198 -1.564 1.00 0.00 C ATOM 955 O VAL A 60 7.934 8.289 -2.386 1.00 0.00 O ATOM 956 CB VAL A 60 6.652 7.995 0.113 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.875 7.274 0.658 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.582 8.132 1.185 1.00 0.00 C ATOM 0 H VAL A 60 5.029 9.548 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 60 7.491 9.968 0.360 1.00 0.00 H new ATOM 0 HB VAL A 60 6.242 7.399 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.580 6.298 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.606 7.143 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.317 7.864 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.319 7.145 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.962 8.745 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.697 8.604 0.758 1.00 0.00 H new ATOM 968 N THR A 61 9.060 10.069 -1.593 1.00 0.00 N ATOM 969 CA THR A 61 10.097 10.006 -2.616 1.00 0.00 C ATOM 970 C THR A 61 11.476 9.833 -1.991 1.00 0.00 C ATOM 971 O THR A 61 12.455 9.567 -2.688 1.00 0.00 O ATOM 972 CB THR A 61 10.098 11.273 -3.492 1.00 0.00 C ATOM 973 OG1 THR A 61 10.377 12.425 -2.688 1.00 0.00 O ATOM 974 CG2 THR A 61 8.760 11.449 -4.192 1.00 0.00 C ATOM 0 H THR A 61 9.177 10.826 -0.920 1.00 0.00 H new ATOM 0 HA THR A 61 9.874 9.141 -3.240 1.00 0.00 H new ATOM 0 HB THR A 61 10.874 11.163 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.377 13.226 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.786 12.350 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.565 10.585 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.969 11.539 -3.448 1.00 0.00 H new ATOM 982 N ASP A 62 11.546 9.983 -0.673 1.00 0.00 N ATOM 983 CA ASP A 62 12.807 9.841 0.047 1.00 0.00 C ATOM 984 C ASP A 62 12.706 8.750 1.108 1.00 0.00 C ATOM 985 O ASP A 62 11.634 8.506 1.663 1.00 0.00 O ATOM 986 CB ASP A 62 13.199 11.169 0.698 1.00 0.00 C ATOM 987 CG ASP A 62 12.027 11.850 1.376 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.577 11.351 2.428 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.559 12.884 0.854 1.00 0.00 O ATOM 0 H ASP A 62 10.745 10.203 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 62 13.577 9.556 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.986 10.992 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.613 11.834 -0.060 1.00 0.00 H new ATOM 994 N ARG A 63 13.829 8.096 1.385 1.00 0.00 N ATOM 995 CA ARG A 63 13.867 7.029 2.378 1.00 0.00 C ATOM 996 C ARG A 63 13.155 7.453 3.659 1.00 0.00 C ATOM 997 O ARG A 63 12.268 6.755 4.150 1.00 0.00 O ATOM 998 CB ARG A 63 15.315 6.644 2.689 1.00 0.00 C ATOM 999 CG ARG A 63 15.473 5.214 3.178 1.00 0.00 C ATOM 1000 CD ARG A 63 16.894 4.938 3.643 1.00 0.00 C ATOM 1001 NE ARG A 63 17.072 5.231 5.063 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.246 5.525 5.611 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.339 5.566 4.863 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.327 5.780 6.911 1.00 0.00 N ATOM 0 H ARG A 63 14.725 8.286 0.936 1.00 0.00 H new ATOM 0 HA ARG A 63 13.349 6.163 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.919 6.781 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.708 7.323 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.779 5.030 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.211 4.523 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.140 3.893 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.590 5.540 3.059 1.00 0.00 H new ATOM 0 HE ARG A 63 16.250 5.209 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.281 5.372 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.239 5.792 5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.488 5.750 7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.229 6.006 7.331 1.00 0.00 H new ATOM 1018 N THR A 64 13.551 8.603 4.197 1.00 0.00 N ATOM 1019 CA THR A 64 12.953 9.119 5.422 1.00 0.00 C ATOM 1020 C THR A 64 11.435 8.988 5.390 1.00 0.00 C ATOM 1021 O THR A 64 10.850 8.232 6.167 1.00 0.00 O ATOM 1022 CB THR A 64 13.325 10.597 5.649 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.744 10.764 5.560 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.837 11.075 7.008 1.00 0.00 C ATOM 0 H THR A 64 14.283 9.194 3.803 1.00 0.00 H new ATOM 0 HA THR A 64 13.349 8.522 6.243 1.00 0.00 H new ATOM 0 HB THR A 64 12.840 11.194 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.972 11.706 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.111 12.121 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.753 10.974 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.297 10.473 7.792 1.00 0.00 H new ATOM 1032 N LEU A 65 10.801 9.728 4.488 1.00 0.00 N ATOM 1033 CA LEU A 65 9.348 9.694 4.354 1.00 0.00 C ATOM 1034 C LEU A 65 8.830 8.261 4.409 1.00 0.00 C ATOM 1035 O LEU A 65 7.849 7.971 5.092 1.00 0.00 O ATOM 1036 CB LEU A 65 8.922 10.353 3.041 1.00 0.00 C ATOM 1037 CG LEU A 65 8.877 11.881 3.040 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.660 12.408 1.630 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.785 12.383 3.973 1.00 0.00 C ATOM 0 H LEU A 65 11.270 10.359 3.838 1.00 0.00 H new ATOM 0 HA LEU A 65 8.917 10.248 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.606 10.029 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.933 9.980 2.775 1.00 0.00 H new ATOM 0 HG LEU A 65 9.835 12.254 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.631 13.497 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.477 12.078 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.716 12.027 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.768 13.473 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.819 12.001 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.985 12.036 4.987 1.00 0.00 H new ATOM 1051 N ALA A 66 9.498 7.367 3.686 1.00 0.00 N ATOM 1052 CA ALA A 66 9.107 5.963 3.655 1.00 0.00 C ATOM 1053 C ALA A 66 9.190 5.341 5.045 1.00 0.00 C ATOM 1054 O ALA A 66 8.199 4.828 5.565 1.00 0.00 O ATOM 1055 CB ALA A 66 9.982 5.193 2.677 1.00 0.00 C ATOM 0 H ALA A 66 10.312 7.591 3.114 1.00 0.00 H new ATOM 0 HA ALA A 66 8.071 5.906 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.679 4.146 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.870 5.615 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.025 5.265 2.987 1.00 0.00 H new ATOM 1061 N GLU A 67 10.378 5.388 5.640 1.00 0.00 N ATOM 1062 CA GLU A 67 10.588 4.826 6.969 1.00 0.00 C ATOM 1063 C GLU A 67 9.484 5.265 7.927 1.00 0.00 C ATOM 1064 O GLU A 67 9.076 4.510 8.808 1.00 0.00 O ATOM 1065 CB GLU A 67 11.952 5.252 7.517 1.00 0.00 C ATOM 1066 CG GLU A 67 13.102 4.391 7.024 1.00 0.00 C ATOM 1067 CD GLU A 67 14.270 4.368 7.990 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.206 3.611 8.981 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.249 5.107 7.755 1.00 0.00 O ATOM 0 H GLU A 67 11.208 5.809 5.223 1.00 0.00 H new ATOM 0 HA GLU A 67 10.561 3.740 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.139 6.289 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.924 5.217 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.747 3.373 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.442 4.764 6.058 1.00 0.00 H new ATOM 1076 N ALA A 68 9.004 6.491 7.745 1.00 0.00 N ATOM 1077 CA ALA A 68 7.947 7.031 8.591 1.00 0.00 C ATOM 1078 C ALA A 68 6.668 6.211 8.461 1.00 0.00 C ATOM 1079 O ALA A 68 5.930 6.035 9.431 1.00 0.00 O ATOM 1080 CB ALA A 68 7.680 8.487 8.239 1.00 0.00 C ATOM 0 H ALA A 68 9.331 7.129 7.019 1.00 0.00 H new ATOM 0 HA ALA A 68 8.281 6.975 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.888 8.877 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.588 9.070 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.372 8.559 7.196 1.00 0.00 H new ATOM 1086 N LEU A 69 6.411 5.711 7.257 1.00 0.00 N ATOM 1087 CA LEU A 69 5.220 4.909 7.000 1.00 0.00 C ATOM 1088 C LEU A 69 5.560 3.422 6.974 1.00 0.00 C ATOM 1089 O LEU A 69 4.881 2.631 6.319 1.00 0.00 O ATOM 1090 CB LEU A 69 4.580 5.321 5.673 1.00 0.00 C ATOM 1091 CG LEU A 69 4.053 6.755 5.599 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.603 7.085 4.185 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.910 6.954 6.585 1.00 0.00 C ATOM 0 H LEU A 69 7.011 5.847 6.444 1.00 0.00 H new ATOM 0 HA LEU A 69 4.511 5.087 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.315 5.184 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.755 4.640 5.464 1.00 0.00 H new ATOM 0 HG LEU A 69 4.862 7.434 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.231 8.109 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.446 6.982 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.809 6.401 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.547 7.980 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.099 6.266 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.264 6.759 7.597 1.00 0.00 H new ATOM 1105 N VAL A 70 6.614 3.048 7.692 1.00 0.00 N ATOM 1106 CA VAL A 70 7.042 1.656 7.754 1.00 0.00 C ATOM 1107 C VAL A 70 6.591 1.000 9.054 1.00 0.00 C ATOM 1108 O VAL A 70 6.902 1.478 10.144 1.00 0.00 O ATOM 1109 CB VAL A 70 8.573 1.534 7.634 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.040 0.173 8.128 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.015 1.769 6.197 1.00 0.00 C ATOM 0 H VAL A 70 7.187 3.690 8.239 1.00 0.00 H new ATOM 0 HA VAL A 70 6.577 1.144 6.912 1.00 0.00 H new ATOM 0 HB VAL A 70 9.032 2.299 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.124 0.105 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.756 0.048 9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.575 -0.610 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.099 1.679 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.549 1.028 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.714 2.768 5.883 1.00 0.00 H new ATOM 1121 N GLY A 71 5.856 -0.101 8.930 1.00 0.00 N ATOM 1122 CA GLY A 71 5.374 -0.807 10.103 1.00 0.00 C ATOM 1123 C GLY A 71 3.862 -0.778 10.216 1.00 0.00 C ATOM 1124 O GLY A 71 3.253 -1.714 10.737 1.00 0.00 O ATOM 0 H GLY A 71 5.586 -0.517 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.713 -1.842 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.811 -0.361 10.997 1.00 0.00 H new ATOM 1128 N LEU A 72 3.254 0.298 9.730 1.00 0.00 N ATOM 1129 CA LEU A 72 1.804 0.446 9.781 1.00 0.00 C ATOM 1130 C LEU A 72 1.125 -0.502 8.797 1.00 0.00 C ATOM 1131 O LEU A 72 1.764 -1.026 7.884 1.00 0.00 O ATOM 1132 CB LEU A 72 1.408 1.890 9.469 1.00 0.00 C ATOM 1133 CG LEU A 72 1.906 2.950 10.453 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.568 4.345 9.951 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.309 2.719 11.833 1.00 0.00 C ATOM 0 H LEU A 72 3.743 1.081 9.296 1.00 0.00 H new ATOM 0 HA LEU A 72 1.473 0.194 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.780 2.141 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.320 1.946 9.425 1.00 0.00 H new ATOM 0 HG LEU A 72 2.990 2.866 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.930 5.086 10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.044 4.509 8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.488 4.442 9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.674 3.482 12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.222 2.775 11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.602 1.734 12.196 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.172 -0.717 8.989 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.937 -1.601 8.119 1.00 0.00 C ATOM 1149 C ARG A 73 -1.820 -0.798 7.168 1.00 0.00 C ATOM 1150 O ARG A 73 -2.399 0.218 7.551 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.799 -2.551 8.952 1.00 0.00 C ATOM 1152 CG ARG A 73 -0.996 -3.442 9.886 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.771 -2.777 11.234 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.996 -2.716 12.026 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.119 -1.994 13.135 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.097 -1.275 13.579 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -3.267 -1.989 13.801 1.00 0.00 N ATOM 0 H ARG A 73 -0.715 -0.291 9.740 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.232 -2.185 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.505 -1.965 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.386 -3.178 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.520 -4.387 10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.034 -3.676 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.009 -3.327 11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.388 -1.768 11.081 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.801 -3.257 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.214 -1.275 13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.194 -0.722 14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.056 -2.540 13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.360 -1.435 14.652 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.917 -1.261 5.926 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.729 -0.587 4.920 1.00 0.00 C ATOM 1173 C VAL A 74 -4.136 -1.170 4.869 1.00 0.00 C ATOM 1174 O VAL A 74 -4.313 -2.384 4.771 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.091 -0.690 3.522 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.931 0.054 2.495 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.667 -0.156 3.546 1.00 0.00 C ATOM 0 H VAL A 74 -1.443 -2.100 5.592 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.784 0.463 5.209 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.056 -1.741 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.464 -0.030 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.931 -0.379 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.001 1.105 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.231 -0.236 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.676 0.889 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.072 -0.738 4.250 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.135 -0.296 4.935 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.528 -0.724 4.898 1.00 0.00 C ATOM 1189 C TYR A 75 -7.163 -0.397 3.549 1.00 0.00 C ATOM 1190 O TYR A 75 -6.749 0.539 2.867 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.320 -0.055 6.022 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.053 -0.648 7.387 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.865 -0.390 8.059 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.990 -1.467 8.005 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.617 -0.931 9.306 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.751 -2.012 9.252 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.563 -1.741 9.898 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.320 -2.280 11.141 1.00 0.00 O ATOM 0 H TYR A 75 -5.006 0.713 5.014 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.553 -1.805 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.078 1.008 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.385 -0.135 5.802 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.122 0.245 7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.921 -1.681 7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.688 -0.721 9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.490 -2.647 9.718 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.178 -1.558 11.788 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.172 -1.177 3.173 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.867 -0.969 1.909 1.00 0.00 C ATOM 1210 C ALA A 76 -10.332 -0.616 2.139 1.00 0.00 C ATOM 1211 O ALA A 76 -10.855 -0.784 3.241 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.752 -2.209 1.035 1.00 0.00 C ATOM 0 H ALA A 76 -8.526 -1.958 3.726 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.395 -0.131 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.275 -2.041 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.701 -2.416 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.197 -3.060 1.550 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.990 -0.125 1.093 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.395 0.253 1.184 1.00 0.00 C ATOM 1220 C GLU A 77 -13.248 -0.595 0.245 1.00 0.00 C ATOM 1221 O GLU A 77 -12.872 -0.843 -0.900 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.569 1.736 0.849 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.727 2.393 1.582 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.845 1.420 1.898 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.758 0.732 2.937 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.809 1.346 1.107 1.00 0.00 O ATOM 0 H GLU A 77 -10.573 0.020 0.174 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.727 0.077 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.648 2.266 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.723 1.842 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.362 2.834 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.121 3.208 0.975 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.400 -1.038 0.740 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.308 -1.858 -0.054 1.00 0.00 C ATOM 1235 C VAL A 78 -15.943 -1.045 -1.176 1.00 0.00 C ATOM 1236 O VAL A 78 -16.661 -1.585 -2.018 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.422 -2.466 0.819 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -17.113 -3.606 0.085 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.857 -2.942 2.149 1.00 0.00 C ATOM 0 H VAL A 78 -14.726 -0.843 1.687 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.713 -2.664 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 78 -17.164 -1.693 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.897 -4.023 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.553 -3.230 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.385 -4.382 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.658 -3.369 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.094 -3.700 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.413 -2.099 2.678 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.674 0.256 -1.183 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.217 1.143 -2.204 1.00 0.00 C ATOM 1251 C ALA A 79 -15.454 1.002 -3.517 1.00 0.00 C ATOM 1252 O ALA A 79 -16.029 1.129 -4.597 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.181 2.586 -1.723 1.00 0.00 C ATOM 0 H ALA A 79 -15.083 0.719 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.253 0.857 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.590 3.237 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.777 2.682 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.151 2.874 -1.513 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.156 0.739 -3.415 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.313 0.580 -4.595 1.00 0.00 C ATOM 1261 C ASP A 80 -13.414 -0.839 -5.147 1.00 0.00 C ATOM 1262 O ASP A 80 -13.545 -1.038 -6.356 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.858 0.907 -4.257 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.657 2.371 -3.918 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.475 2.921 -3.151 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.681 2.967 -4.420 1.00 0.00 O ATOM 0 H ASP A 80 -13.664 0.631 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.664 1.274 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.537 0.295 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.223 0.643 -5.103 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.350 -1.821 -4.255 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.433 -3.222 -4.653 1.00 0.00 C ATOM 1273 C LEU A 81 -14.526 -3.428 -5.697 1.00 0.00 C ATOM 1274 O LEU A 81 -15.579 -2.791 -5.663 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.704 -4.104 -3.433 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.637 -4.081 -2.338 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -13.205 -4.606 -1.028 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.423 -4.897 -2.760 1.00 0.00 C ATOM 0 H LEU A 81 -13.241 -1.673 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.477 -3.506 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.654 -3.800 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.825 -5.133 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.322 -3.049 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.431 -4.582 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.043 -3.981 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.548 -5.631 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.674 -4.870 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.723 -5.929 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.002 -4.477 -3.673 1.00 0.00 H new