USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.885 (180deg=-1.75) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0409 (180deg=-0.237) USER MOD Single : A 15 MET CE :methyl -165:sc= -0.0797 (180deg=-0.422) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= -1.16 (180deg=-1.17) USER MOD Single : A 32 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.052) USER MOD Single : A 33 ASN : amide:sc= -1.01 K(o=-1,f=-0.0058) USER MOD Single : A 34 ASN : amide:sc= 0.33 X(o=0.33,f=-0.011) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 7 7.062 8.302 -0.522 1.00 0.00 N ATOM 59 CA VAL A 7 6.111 7.336 0.013 1.00 0.00 C ATOM 60 C VAL A 7 4.744 7.484 -0.645 1.00 0.00 C ATOM 61 O VAL A 7 4.034 6.499 -0.846 1.00 0.00 O ATOM 62 CB VAL A 7 5.955 7.482 1.539 1.00 0.00 C ATOM 63 CG1 VAL A 7 7.246 7.105 2.246 1.00 0.00 C ATOM 64 CG2 VAL A 7 5.536 8.899 1.901 1.00 0.00 C ATOM 0 HA VAL A 7 6.511 6.347 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 7 5.172 6.800 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.117 7.214 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.499 6.070 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.050 7.759 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.431 8.982 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.294 9.602 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.583 9.129 1.425 1.00 0.00 H new ATOM 74 N ASP A 8 4.381 8.719 -0.981 1.00 0.00 N ATOM 75 CA ASP A 8 3.098 8.996 -1.619 1.00 0.00 C ATOM 76 C ASP A 8 2.959 8.207 -2.915 1.00 0.00 C ATOM 77 O ASP A 8 1.920 7.605 -3.172 1.00 0.00 O ATOM 78 CB ASP A 8 2.958 10.492 -1.906 1.00 0.00 C ATOM 79 CG ASP A 8 1.562 10.864 -2.365 1.00 0.00 C ATOM 80 OD1 ASP A 8 1.304 10.807 -3.586 1.00 0.00 O ATOM 81 OD2 ASP A 8 0.727 11.212 -1.504 1.00 0.00 O ATOM 0 H ASP A 8 4.958 9.545 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 8 2.306 8.689 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.204 11.056 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.678 10.781 -2.671 1.00 0.00 H new ATOM 86 N ALA A 9 4.011 8.218 -3.729 1.00 0.00 N ATOM 87 CA ALA A 9 4.001 7.490 -4.992 1.00 0.00 C ATOM 88 C ALA A 9 3.665 6.027 -4.752 1.00 0.00 C ATOM 89 O ALA A 9 2.986 5.392 -5.560 1.00 0.00 O ATOM 90 CB ALA A 9 5.344 7.622 -5.691 1.00 0.00 C ATOM 0 H ALA A 9 4.877 8.721 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 9 3.235 7.920 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.320 7.073 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.549 8.674 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.128 7.214 -5.053 1.00 0.00 H new ATOM 96 N LYS A 10 4.145 5.501 -3.631 1.00 0.00 N ATOM 97 CA LYS A 10 3.881 4.118 -3.264 1.00 0.00 C ATOM 98 C LYS A 10 2.410 3.965 -2.902 1.00 0.00 C ATOM 99 O LYS A 10 1.749 3.001 -3.295 1.00 0.00 O ATOM 100 CB LYS A 10 4.758 3.707 -2.080 1.00 0.00 C ATOM 101 CG LYS A 10 6.230 4.051 -2.260 1.00 0.00 C ATOM 102 CD LYS A 10 7.027 2.884 -2.826 1.00 0.00 C ATOM 103 CE LYS A 10 6.555 2.492 -4.215 1.00 0.00 C ATOM 104 NZ LYS A 10 7.468 1.507 -4.857 1.00 0.00 N ATOM 0 H LYS A 10 4.719 6.013 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 10 4.116 3.471 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.388 4.195 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.662 2.633 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.322 4.909 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.653 4.346 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.083 3.151 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.939 2.027 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.552 2.069 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.486 3.383 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.000 1.089 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.341 1.987 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.702 0.756 -4.177 1.00 0.00 H new ATOM 118 N ILE A 11 1.905 4.937 -2.151 1.00 0.00 N ATOM 119 CA ILE A 11 0.513 4.935 -1.742 1.00 0.00 C ATOM 120 C ILE A 11 -0.396 4.905 -2.961 1.00 0.00 C ATOM 121 O ILE A 11 -1.220 4.004 -3.106 1.00 0.00 O ATOM 122 CB ILE A 11 0.171 6.166 -0.889 1.00 0.00 C ATOM 123 CG1 ILE A 11 1.077 6.225 0.342 1.00 0.00 C ATOM 124 CG2 ILE A 11 -1.295 6.117 -0.485 1.00 0.00 C ATOM 125 CD1 ILE A 11 0.849 7.446 1.210 1.00 0.00 C ATOM 0 H ILE A 11 2.443 5.736 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 11 0.354 4.041 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 11 0.340 7.070 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.918 5.329 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.117 6.211 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.535 6.991 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.919 6.112 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.483 5.213 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.527 7.418 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.037 8.347 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.181 7.452 1.566 1.00 0.00 H new ATOM 137 N ALA A 12 -0.244 5.903 -3.829 1.00 0.00 N ATOM 138 CA ALA A 12 -1.034 5.978 -5.050 1.00 0.00 C ATOM 139 C ALA A 12 -0.912 4.675 -5.821 1.00 0.00 C ATOM 140 O ALA A 12 -1.888 4.178 -6.390 1.00 0.00 O ATOM 141 CB ALA A 12 -0.580 7.151 -5.907 1.00 0.00 C ATOM 0 H ALA A 12 0.419 6.669 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.080 6.135 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.181 7.192 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.703 8.079 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.470 7.023 -6.172 1.00 0.00 H new ATOM 147 N LYS A 13 0.302 4.126 -5.834 1.00 0.00 N ATOM 148 CA LYS A 13 0.562 2.866 -6.510 1.00 0.00 C ATOM 149 C LYS A 13 -0.418 1.809 -6.017 1.00 0.00 C ATOM 150 O LYS A 13 -0.871 0.958 -6.782 1.00 0.00 O ATOM 151 CB LYS A 13 2.001 2.412 -6.263 1.00 0.00 C ATOM 152 CG LYS A 13 2.409 1.201 -7.085 1.00 0.00 C ATOM 153 CD LYS A 13 2.613 1.554 -8.544 1.00 0.00 C ATOM 154 CE LYS A 13 3.738 0.739 -9.134 1.00 0.00 C ATOM 155 NZ LYS A 13 5.069 1.162 -8.614 1.00 0.00 N ATOM 0 H LYS A 13 1.118 4.538 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 13 0.428 3.006 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.677 3.237 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.123 2.180 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.330 0.781 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.643 0.430 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.694 1.371 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.837 2.616 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.579 -0.315 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.725 0.837 -10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.810 0.883 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.082 2.195 -8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.245 0.704 -7.697 1.00 0.00 H new ATOM 169 N LEU A 14 -0.743 1.874 -4.725 1.00 0.00 N ATOM 170 CA LEU A 14 -1.691 0.939 -4.131 1.00 0.00 C ATOM 171 C LEU A 14 -3.118 1.464 -4.258 1.00 0.00 C ATOM 172 O LEU A 14 -4.079 0.697 -4.199 1.00 0.00 O ATOM 173 CB LEU A 14 -1.356 0.686 -2.660 1.00 0.00 C ATOM 174 CG LEU A 14 -0.354 -0.441 -2.410 1.00 0.00 C ATOM 175 CD1 LEU A 14 1.058 0.004 -2.752 1.00 0.00 C ATOM 176 CD2 LEU A 14 -0.437 -0.916 -0.968 1.00 0.00 C ATOM 0 H LEU A 14 -0.364 2.562 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.615 -0.004 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.960 1.606 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.279 0.456 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.609 -1.277 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.753 -0.815 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.105 0.288 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.330 0.859 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.283 -1.718 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.211 -0.086 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.442 -1.284 -0.764 1.00 0.00 H new ATOM 188 N MET A 15 -3.249 2.778 -4.431 1.00 0.00 N ATOM 189 CA MET A 15 -4.560 3.403 -4.575 1.00 0.00 C ATOM 190 C MET A 15 -5.222 2.953 -5.869 1.00 0.00 C ATOM 191 O MET A 15 -6.446 2.995 -5.997 1.00 0.00 O ATOM 192 CB MET A 15 -4.436 4.928 -4.553 1.00 0.00 C ATOM 193 CG MET A 15 -4.080 5.492 -3.186 1.00 0.00 C ATOM 194 SD MET A 15 -5.237 4.983 -1.901 1.00 0.00 S ATOM 195 CE MET A 15 -6.770 5.657 -2.536 1.00 0.00 C ATOM 0 H MET A 15 -2.464 3.428 -4.475 1.00 0.00 H new ATOM 0 HA MET A 15 -5.180 3.092 -3.734 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.675 5.232 -5.271 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.378 5.365 -4.883 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.076 5.168 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.060 6.580 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.520 5.663 -1.745 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.603 6.676 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.122 5.043 -3.365 1.00 0.00 H new ATOM 205 N GLY A 16 -4.399 2.534 -6.830 1.00 0.00 N ATOM 206 CA GLY A 16 -4.917 2.064 -8.102 1.00 0.00 C ATOM 207 C GLY A 16 -6.065 1.095 -7.921 1.00 0.00 C ATOM 208 O GLY A 16 -7.158 1.306 -8.451 1.00 0.00 O ATOM 0 H GLY A 16 -3.383 2.512 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.251 2.916 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.118 1.579 -8.663 1.00 0.00 H new ATOM 212 N GLU A 17 -5.810 0.029 -7.173 1.00 0.00 N ATOM 213 CA GLU A 17 -6.827 -0.979 -6.899 1.00 0.00 C ATOM 214 C GLU A 17 -8.050 -0.340 -6.251 1.00 0.00 C ATOM 215 O GLU A 17 -9.185 -0.749 -6.498 1.00 0.00 O ATOM 216 CB GLU A 17 -6.261 -2.068 -5.989 1.00 0.00 C ATOM 217 CG GLU A 17 -5.271 -2.976 -6.692 1.00 0.00 C ATOM 218 CD GLU A 17 -4.383 -3.732 -5.724 1.00 0.00 C ATOM 219 OE1 GLU A 17 -4.775 -4.839 -5.298 1.00 0.00 O ATOM 220 OE2 GLU A 17 -3.295 -3.216 -5.389 1.00 0.00 O ATOM 0 H GLU A 17 -4.904 -0.160 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.129 -1.431 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.772 -1.601 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.082 -2.669 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.815 -3.688 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.649 -2.381 -7.360 1.00 0.00 H new ATOM 227 N GLY A 18 -7.804 0.669 -5.421 1.00 0.00 N ATOM 228 CA GLY A 18 -8.883 1.364 -4.745 1.00 0.00 C ATOM 229 C GLY A 18 -9.291 0.691 -3.450 1.00 0.00 C ATOM 230 O GLY A 18 -10.142 -0.199 -3.446 1.00 0.00 O ATOM 0 H GLY A 18 -6.871 1.019 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.575 2.389 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.746 1.420 -5.409 1.00 0.00 H new ATOM 234 N TYR A 19 -8.681 1.117 -2.349 1.00 0.00 N ATOM 235 CA TYR A 19 -8.985 0.553 -1.038 1.00 0.00 C ATOM 236 C TYR A 19 -8.700 1.564 0.066 1.00 0.00 C ATOM 237 O TYR A 19 -8.343 2.710 -0.206 1.00 0.00 O ATOM 238 CB TYR A 19 -8.166 -0.716 -0.798 1.00 0.00 C ATOM 239 CG TYR A 19 -9.012 -1.948 -0.570 1.00 0.00 C ATOM 240 CD1 TYR A 19 -9.531 -2.234 0.686 1.00 0.00 C ATOM 241 CD2 TYR A 19 -9.291 -2.824 -1.611 1.00 0.00 C ATOM 242 CE1 TYR A 19 -10.306 -3.359 0.899 1.00 0.00 C ATOM 243 CE2 TYR A 19 -10.066 -3.950 -1.407 1.00 0.00 C ATOM 244 CZ TYR A 19 -10.571 -4.212 -0.151 1.00 0.00 C ATOM 245 OH TYR A 19 -11.340 -5.334 0.057 1.00 0.00 O ATOM 0 H TYR A 19 -7.973 1.851 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.046 0.302 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.515 -0.886 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.520 -0.564 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.326 -1.567 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.896 -2.622 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.701 -3.568 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.275 -4.621 -2.227 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.433 -5.828 -0.785 1.00 0.00 H new ATOM 255 N ALA A 20 -8.861 1.131 1.312 1.00 0.00 N ATOM 256 CA ALA A 20 -8.611 1.995 2.457 1.00 0.00 C ATOM 257 C ALA A 20 -7.183 2.521 2.430 1.00 0.00 C ATOM 258 O ALA A 20 -6.256 1.804 2.051 1.00 0.00 O ATOM 259 CB ALA A 20 -8.873 1.243 3.753 1.00 0.00 C ATOM 0 H ALA A 20 -9.163 0.187 1.553 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.291 2.845 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.682 1.901 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.911 0.911 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.214 0.377 3.811 1.00 0.00 H new ATOM 265 N PHE A 21 -7.008 3.774 2.834 1.00 0.00 N ATOM 266 CA PHE A 21 -5.688 4.387 2.851 1.00 0.00 C ATOM 267 C PHE A 21 -4.876 3.840 4.015 1.00 0.00 C ATOM 268 O PHE A 21 -3.658 3.690 3.923 1.00 0.00 O ATOM 269 CB PHE A 21 -5.803 5.910 2.951 1.00 0.00 C ATOM 270 CG PHE A 21 -6.654 6.381 4.096 1.00 0.00 C ATOM 271 CD1 PHE A 21 -6.099 6.604 5.346 1.00 0.00 C ATOM 272 CD2 PHE A 21 -8.012 6.599 3.923 1.00 0.00 C ATOM 273 CE1 PHE A 21 -6.880 7.036 6.400 1.00 0.00 C ATOM 274 CE2 PHE A 21 -8.799 7.031 4.973 1.00 0.00 C ATOM 275 CZ PHE A 21 -8.232 7.249 6.214 1.00 0.00 C ATOM 0 H PHE A 21 -7.762 4.383 3.153 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.178 4.143 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.804 6.334 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.218 6.295 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.043 6.438 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.460 6.429 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.434 7.207 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.856 7.198 4.824 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.845 7.585 7.037 1.00 0.00 H new ATOM 285 N GLU A 22 -5.566 3.535 5.107 1.00 0.00 N ATOM 286 CA GLU A 22 -4.918 2.997 6.294 1.00 0.00 C ATOM 287 C GLU A 22 -4.344 1.613 6.012 1.00 0.00 C ATOM 288 O GLU A 22 -3.258 1.273 6.482 1.00 0.00 O ATOM 289 CB GLU A 22 -5.910 2.927 7.455 1.00 0.00 C ATOM 290 CG GLU A 22 -5.280 2.478 8.762 1.00 0.00 C ATOM 291 CD GLU A 22 -6.273 2.442 9.907 1.00 0.00 C ATOM 292 OE1 GLU A 22 -6.437 3.479 10.582 1.00 0.00 O ATOM 293 OE2 GLU A 22 -6.884 1.376 10.129 1.00 0.00 O ATOM 0 H GLU A 22 -6.576 3.652 5.194 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.100 3.663 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.362 3.909 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.715 2.240 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.847 1.486 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.462 3.152 9.017 1.00 0.00 H new ATOM 300 N GLU A 23 -5.082 0.817 5.242 1.00 0.00 N ATOM 301 CA GLU A 23 -4.644 -0.530 4.892 1.00 0.00 C ATOM 302 C GLU A 23 -3.432 -0.488 3.967 1.00 0.00 C ATOM 303 O GLU A 23 -2.636 -1.425 3.927 1.00 0.00 O ATOM 304 CB GLU A 23 -5.782 -1.301 4.226 1.00 0.00 C ATOM 305 CG GLU A 23 -6.866 -1.722 5.201 1.00 0.00 C ATOM 306 CD GLU A 23 -7.878 -2.663 4.578 1.00 0.00 C ATOM 307 OE1 GLU A 23 -7.607 -3.882 4.533 1.00 0.00 O ATOM 308 OE2 GLU A 23 -8.943 -2.182 4.138 1.00 0.00 O ATOM 0 H GLU A 23 -5.985 1.082 4.849 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.357 -1.041 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.224 -0.682 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.376 -2.187 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.406 -2.207 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.380 -0.835 5.572 1.00 0.00 H new ATOM 315 N VAL A 24 -3.302 0.607 3.228 1.00 0.00 N ATOM 316 CA VAL A 24 -2.195 0.782 2.295 1.00 0.00 C ATOM 317 C VAL A 24 -0.887 1.088 3.020 1.00 0.00 C ATOM 318 O VAL A 24 0.116 0.398 2.826 1.00 0.00 O ATOM 319 CB VAL A 24 -2.495 1.917 1.299 1.00 0.00 C ATOM 320 CG1 VAL A 24 -1.268 2.253 0.460 1.00 0.00 C ATOM 321 CG2 VAL A 24 -3.666 1.543 0.402 1.00 0.00 C ATOM 0 H VAL A 24 -3.953 1.391 3.257 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.083 -0.159 1.757 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.763 2.804 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.511 3.058 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.456 2.570 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.958 1.371 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.864 2.357 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.423 0.638 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.551 1.366 1.014 1.00 0.00 H new ATOM 331 N LYS A 25 -0.903 2.117 3.859 1.00 0.00 N ATOM 332 CA LYS A 25 0.295 2.518 4.589 1.00 0.00 C ATOM 333 C LYS A 25 0.681 1.480 5.633 1.00 0.00 C ATOM 334 O LYS A 25 1.857 1.345 5.975 1.00 0.00 O ATOM 335 CB LYS A 25 0.100 3.888 5.243 1.00 0.00 C ATOM 336 CG LYS A 25 0.285 5.047 4.279 1.00 0.00 C ATOM 337 CD LYS A 25 -0.900 5.207 3.350 1.00 0.00 C ATOM 338 CE LYS A 25 -1.962 6.122 3.940 1.00 0.00 C ATOM 339 NZ LYS A 25 -2.355 5.709 5.316 1.00 0.00 N ATOM 0 H LYS A 25 -1.727 2.687 4.051 1.00 0.00 H new ATOM 0 HA LYS A 25 1.111 2.590 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.900 3.938 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.806 3.993 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.430 5.968 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.188 4.888 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.562 5.611 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.336 4.229 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.587 7.145 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.841 6.119 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.139 6.306 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.658 4.714 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.543 5.818 5.956 1.00 0.00 H new ATOM 353 N ARG A 26 -0.303 0.747 6.143 1.00 0.00 N ATOM 354 CA ARG A 26 -0.027 -0.283 7.132 1.00 0.00 C ATOM 355 C ARG A 26 0.559 -1.510 6.444 1.00 0.00 C ATOM 356 O ARG A 26 1.440 -2.175 6.985 1.00 0.00 O ATOM 357 CB ARG A 26 -1.293 -0.660 7.910 1.00 0.00 C ATOM 358 CG ARG A 26 -2.191 -1.651 7.192 1.00 0.00 C ATOM 359 CD ARG A 26 -3.466 -1.895 7.976 1.00 0.00 C ATOM 360 NE ARG A 26 -4.356 -2.839 7.307 1.00 0.00 N ATOM 361 CZ ARG A 26 -5.163 -3.676 7.955 1.00 0.00 C ATOM 362 NH1 ARG A 26 -5.180 -3.693 9.281 1.00 0.00 N ATOM 363 NH2 ARG A 26 -5.950 -4.498 7.275 1.00 0.00 N ATOM 0 H ARG A 26 -1.286 0.846 5.891 1.00 0.00 H new ATOM 0 HA ARG A 26 0.696 0.110 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.003 -1.081 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.863 0.246 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.437 -1.272 6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.660 -2.593 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.214 -2.276 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.987 -0.949 8.122 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.360 -2.858 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.574 -3.064 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.799 -4.335 9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.937 -4.489 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.568 -5.139 7.772 1.00 0.00 H new ATOM 377 N ALA A 27 0.067 -1.797 5.241 1.00 0.00 N ATOM 378 CA ALA A 27 0.558 -2.935 4.475 1.00 0.00 C ATOM 379 C ALA A 27 1.969 -2.666 3.972 1.00 0.00 C ATOM 380 O ALA A 27 2.742 -3.591 3.723 1.00 0.00 O ATOM 381 CB ALA A 27 -0.374 -3.239 3.312 1.00 0.00 C ATOM 0 H ALA A 27 -0.667 -1.260 4.780 1.00 0.00 H new ATOM 0 HA ALA A 27 0.584 -3.806 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.009 -4.092 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.368 -3.473 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.432 -2.371 2.656 1.00 0.00 H new ATOM 387 N LEU A 28 2.297 -1.385 3.827 1.00 0.00 N ATOM 388 CA LEU A 28 3.615 -0.976 3.360 1.00 0.00 C ATOM 389 C LEU A 28 4.641 -1.044 4.487 1.00 0.00 C ATOM 390 O LEU A 28 5.695 -1.662 4.342 1.00 0.00 O ATOM 391 CB LEU A 28 3.557 0.446 2.798 1.00 0.00 C ATOM 392 CG LEU A 28 2.893 0.577 1.426 1.00 0.00 C ATOM 393 CD1 LEU A 28 2.655 2.041 1.097 1.00 0.00 C ATOM 394 CD2 LEU A 28 3.753 -0.076 0.355 1.00 0.00 C ATOM 0 H LEU A 28 1.664 -0.611 4.028 1.00 0.00 H new ATOM 0 HA LEU A 28 3.922 -1.664 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.020 1.078 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.573 0.835 2.731 1.00 0.00 H new ATOM 0 HG LEU A 28 1.931 0.065 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.182 2.122 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.004 2.482 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.608 2.571 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.266 0.026 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.728 0.410 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.882 -1.133 0.587 1.00 0.00 H new ATOM 406 N GLU A 29 4.322 -0.405 5.610 1.00 0.00 N ATOM 407 CA GLU A 29 5.216 -0.385 6.764 1.00 0.00 C ATOM 408 C GLU A 29 5.547 -1.801 7.233 1.00 0.00 C ATOM 409 O GLU A 29 6.716 -2.149 7.400 1.00 0.00 O ATOM 410 CB GLU A 29 4.582 0.410 7.909 1.00 0.00 C ATOM 411 CG GLU A 29 5.459 0.499 9.148 1.00 0.00 C ATOM 412 CD GLU A 29 4.793 1.258 10.279 1.00 0.00 C ATOM 413 OE1 GLU A 29 4.932 2.499 10.326 1.00 0.00 O ATOM 414 OE2 GLU A 29 4.131 0.612 11.119 1.00 0.00 O ATOM 0 H GLU A 29 3.450 0.106 5.745 1.00 0.00 H new ATOM 0 HA GLU A 29 6.145 0.098 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.358 1.418 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.632 -0.052 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.707 -0.507 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.398 0.989 8.890 1.00 0.00 H new ATOM 421 N ILE A 30 4.510 -2.607 7.447 1.00 0.00 N ATOM 422 CA ILE A 30 4.688 -3.985 7.898 1.00 0.00 C ATOM 423 C ILE A 30 5.612 -4.762 6.965 1.00 0.00 C ATOM 424 O ILE A 30 6.471 -5.519 7.418 1.00 0.00 O ATOM 425 CB ILE A 30 3.336 -4.721 7.991 1.00 0.00 C ATOM 426 CG1 ILE A 30 2.449 -4.060 9.048 1.00 0.00 C ATOM 427 CG2 ILE A 30 3.553 -6.192 8.321 1.00 0.00 C ATOM 428 CD1 ILE A 30 1.041 -4.616 9.098 1.00 0.00 C ATOM 0 H ILE A 30 3.537 -2.330 7.315 1.00 0.00 H new ATOM 0 HA ILE A 30 5.141 -3.935 8.888 1.00 0.00 H new ATOM 0 HB ILE A 30 2.835 -4.657 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.913 -4.182 10.027 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.400 -2.989 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.589 -6.697 8.383 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.156 -6.655 7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.070 -6.278 9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.473 -4.098 9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.557 -4.469 8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.078 -5.681 9.327 1.00 0.00 H new ATOM 440 N ALA A 31 5.435 -4.567 5.663 1.00 0.00 N ATOM 441 CA ALA A 31 6.248 -5.259 4.671 1.00 0.00 C ATOM 442 C ALA A 31 7.622 -4.612 4.515 1.00 0.00 C ATOM 443 O ALA A 31 8.265 -4.754 3.475 1.00 0.00 O ATOM 444 CB ALA A 31 5.527 -5.295 3.333 1.00 0.00 C ATOM 0 H ALA A 31 4.736 -3.936 5.271 1.00 0.00 H new ATOM 0 HA ALA A 31 6.402 -6.279 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.145 -5.815 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.578 -5.820 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.340 -4.276 2.993 1.00 0.00 H new ATOM 450 N GLN A 32 8.067 -3.904 5.551 1.00 0.00 N ATOM 451 CA GLN A 32 9.366 -3.239 5.529 1.00 0.00 C ATOM 452 C GLN A 32 9.462 -2.263 4.360 1.00 0.00 C ATOM 453 O GLN A 32 10.456 -2.243 3.634 1.00 0.00 O ATOM 454 CB GLN A 32 10.491 -4.274 5.442 1.00 0.00 C ATOM 455 CG GLN A 32 10.472 -5.290 6.572 1.00 0.00 C ATOM 456 CD GLN A 32 10.668 -4.653 7.934 1.00 0.00 C ATOM 457 OE1 GLN A 32 11.795 -4.513 8.411 1.00 0.00 O ATOM 458 NE2 GLN A 32 9.569 -4.263 8.571 1.00 0.00 N ATOM 0 H GLN A 32 7.545 -3.776 6.418 1.00 0.00 H new ATOM 0 HA GLN A 32 9.472 -2.675 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.416 -4.800 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.450 -3.757 5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.522 -5.825 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.256 -6.029 6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.655 -4.398 8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.640 -3.829 9.491 1.00 0.00 H new ATOM 467 N ASN A 33 8.421 -1.453 4.188 1.00 0.00 N ATOM 468 CA ASN A 33 8.378 -0.468 3.111 1.00 0.00 C ATOM 469 C ASN A 33 8.499 -1.141 1.745 1.00 0.00 C ATOM 470 O ASN A 33 9.420 -0.857 0.979 1.00 0.00 O ATOM 471 CB ASN A 33 9.493 0.567 3.289 1.00 0.00 C ATOM 472 CG ASN A 33 9.376 1.325 4.598 1.00 0.00 C ATOM 473 OD1 ASN A 33 10.380 1.714 5.195 1.00 0.00 O ATOM 474 ND2 ASN A 33 8.145 1.544 5.050 1.00 0.00 N ATOM 0 H ASN A 33 7.593 -1.460 4.783 1.00 0.00 H new ATOM 0 HA ASN A 33 7.414 0.038 3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.460 0.066 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.465 1.274 2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.005 2.052 5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.340 1.204 4.523 1.00 0.00 H new ATOM 481 N ASN A 34 7.559 -2.034 1.448 1.00 0.00 N ATOM 482 CA ASN A 34 7.549 -2.745 0.174 1.00 0.00 C ATOM 483 C ASN A 34 6.140 -2.794 -0.406 1.00 0.00 C ATOM 484 O ASN A 34 5.198 -3.224 0.258 1.00 0.00 O ATOM 485 CB ASN A 34 8.093 -4.163 0.345 1.00 0.00 C ATOM 486 CG ASN A 34 9.608 -4.203 0.371 1.00 0.00 C ATOM 487 OD1 ASN A 34 10.254 -4.370 -0.665 1.00 0.00 O ATOM 488 ND2 ASN A 34 10.186 -4.047 1.557 1.00 0.00 N ATOM 0 H ASN A 34 6.793 -2.283 2.074 1.00 0.00 H new ATOM 0 HA ASN A 34 8.193 -2.203 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.705 -4.588 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.730 -4.789 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.203 -4.063 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.613 -3.911 2.390 1.00 0.00 H new ATOM 495 N VAL A 35 6.008 -2.349 -1.653 1.00 0.00 N ATOM 496 CA VAL A 35 4.715 -2.337 -2.329 1.00 0.00 C ATOM 497 C VAL A 35 4.358 -3.722 -2.862 1.00 0.00 C ATOM 498 O VAL A 35 3.183 -4.064 -2.978 1.00 0.00 O ATOM 499 CB VAL A 35 4.681 -1.300 -3.479 1.00 0.00 C ATOM 500 CG1 VAL A 35 6.034 -1.205 -4.156 1.00 0.00 C ATOM 501 CG2 VAL A 35 3.597 -1.633 -4.495 1.00 0.00 C ATOM 0 H VAL A 35 6.781 -1.992 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 35 3.971 -2.047 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 35 4.443 -0.330 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.988 -0.471 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.785 -0.898 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.304 -2.178 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.600 -0.886 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.789 -2.617 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.625 -1.635 -4.002 1.00 0.00 H new ATOM 511 N GLU A 36 5.375 -4.517 -3.181 1.00 0.00 N ATOM 512 CA GLU A 36 5.155 -5.867 -3.694 1.00 0.00 C ATOM 513 C GLU A 36 4.347 -6.697 -2.703 1.00 0.00 C ATOM 514 O GLU A 36 3.225 -7.115 -3.001 1.00 0.00 O ATOM 515 CB GLU A 36 6.491 -6.545 -3.986 1.00 0.00 C ATOM 516 CG GLU A 36 7.287 -5.864 -5.087 1.00 0.00 C ATOM 517 CD GLU A 36 6.589 -5.925 -6.431 1.00 0.00 C ATOM 518 OE1 GLU A 36 6.765 -6.934 -7.147 1.00 0.00 O ATOM 519 OE2 GLU A 36 5.865 -4.965 -6.769 1.00 0.00 O ATOM 0 H GLU A 36 6.356 -4.252 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 36 4.587 -5.793 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.088 -6.562 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.309 -7.582 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.457 -4.822 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.266 -6.336 -5.168 1.00 0.00 H new ATOM 526 N VAL A 37 4.918 -6.939 -1.527 1.00 0.00 N ATOM 527 CA VAL A 37 4.233 -7.706 -0.496 1.00 0.00 C ATOM 528 C VAL A 37 2.908 -7.040 -0.148 1.00 0.00 C ATOM 529 O VAL A 37 1.905 -7.709 0.112 1.00 0.00 O ATOM 530 CB VAL A 37 5.086 -7.835 0.782 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.369 -8.680 1.823 1.00 0.00 C ATOM 532 CG2 VAL A 37 6.452 -8.420 0.457 1.00 0.00 C ATOM 0 H VAL A 37 5.850 -6.616 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 37 4.058 -8.706 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 37 5.233 -6.838 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.988 -8.759 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.419 -8.212 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.186 -9.676 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.039 -8.503 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.329 -9.408 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.969 -7.768 -0.248 1.00 0.00 H new ATOM 542 N ALA A 38 2.916 -5.710 -0.154 1.00 0.00 N ATOM 543 CA ALA A 38 1.725 -4.937 0.144 1.00 0.00 C ATOM 544 C ALA A 38 0.667 -5.166 -0.925 1.00 0.00 C ATOM 545 O ALA A 38 -0.527 -5.098 -0.653 1.00 0.00 O ATOM 546 CB ALA A 38 2.075 -3.463 0.248 1.00 0.00 C ATOM 0 H ALA A 38 3.741 -5.147 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 38 1.319 -5.265 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.175 -2.890 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.805 -3.318 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.497 -3.122 -0.697 1.00 0.00 H new ATOM 552 N ARG A 39 1.121 -5.444 -2.145 1.00 0.00 N ATOM 553 CA ARG A 39 0.220 -5.696 -3.262 1.00 0.00 C ATOM 554 C ARG A 39 -0.430 -7.066 -3.124 1.00 0.00 C ATOM 555 O ARG A 39 -1.573 -7.268 -3.533 1.00 0.00 O ATOM 556 CB ARG A 39 0.975 -5.603 -4.593 1.00 0.00 C ATOM 557 CG ARG A 39 1.047 -4.195 -5.157 1.00 0.00 C ATOM 558 CD ARG A 39 2.010 -4.115 -6.326 1.00 0.00 C ATOM 559 NE ARG A 39 1.624 -5.001 -7.421 1.00 0.00 N ATOM 560 CZ ARG A 39 2.341 -5.158 -8.529 1.00 0.00 C ATOM 561 NH1 ARG A 39 3.473 -4.485 -8.694 1.00 0.00 N ATOM 562 NH2 ARG A 39 1.928 -5.990 -9.476 1.00 0.00 N ATOM 0 H ARG A 39 2.111 -5.500 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.561 -4.936 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.988 -5.981 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.490 -6.252 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.055 -3.879 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.363 -3.504 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.053 -3.088 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.013 -4.375 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 39 0.756 -5.529 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.796 -3.844 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.020 -4.608 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.059 -6.510 -9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.479 -6.109 -10.326 1.00 0.00 H new ATOM 576 N SER A 40 0.313 -8.006 -2.546 1.00 0.00 N ATOM 577 CA SER A 40 -0.191 -9.359 -2.341 1.00 0.00 C ATOM 578 C SER A 40 -1.297 -9.367 -1.290 1.00 0.00 C ATOM 579 O SER A 40 -2.286 -10.088 -1.422 1.00 0.00 O ATOM 580 CB SER A 40 0.946 -10.289 -1.914 1.00 0.00 C ATOM 581 OG SER A 40 0.479 -11.614 -1.728 1.00 0.00 O ATOM 0 H SER A 40 1.265 -7.855 -2.212 1.00 0.00 H new ATOM 0 HA SER A 40 -0.606 -9.717 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.731 -10.280 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.391 -9.924 -0.988 1.00 0.00 H new ATOM 0 HG SER A 40 1.225 -12.189 -1.457 1.00 0.00 H new ATOM 587 N ILE A 41 -1.122 -8.561 -0.246 1.00 0.00 N ATOM 588 CA ILE A 41 -2.106 -8.475 0.828 1.00 0.00 C ATOM 589 C ILE A 41 -3.260 -7.542 0.453 1.00 0.00 C ATOM 590 O ILE A 41 -4.396 -7.743 0.885 1.00 0.00 O ATOM 591 CB ILE A 41 -1.461 -7.988 2.143 1.00 0.00 C ATOM 592 CG1 ILE A 41 -2.506 -7.925 3.260 1.00 0.00 C ATOM 593 CG2 ILE A 41 -0.804 -6.629 1.943 1.00 0.00 C ATOM 594 CD1 ILE A 41 -1.929 -7.591 4.618 1.00 0.00 C ATOM 0 H ILE A 41 -0.308 -7.959 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.499 -9.481 0.978 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.690 -8.701 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.257 -7.178 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.019 -8.885 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.354 -6.301 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.032 -6.707 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.555 -5.905 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.730 -7.565 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.200 -8.350 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.441 -6.617 4.577 1.00 0.00 H new ATOM 606 N LEU A 42 -2.962 -6.527 -0.353 1.00 0.00 N ATOM 607 CA LEU A 42 -3.973 -5.563 -0.784 1.00 0.00 C ATOM 608 C LEU A 42 -4.966 -6.213 -1.745 1.00 0.00 C ATOM 609 O LEU A 42 -6.177 -6.026 -1.623 1.00 0.00 O ATOM 610 CB LEU A 42 -3.296 -4.362 -1.455 1.00 0.00 C ATOM 611 CG LEU A 42 -4.045 -3.026 -1.360 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.339 -3.071 -2.157 1.00 0.00 C ATOM 613 CD2 LEU A 42 -4.327 -2.671 0.093 1.00 0.00 C ATOM 0 H LEU A 42 -2.028 -6.350 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.522 -5.220 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.308 -4.234 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.146 -4.597 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.408 -2.252 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.851 -2.112 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.114 -3.273 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.980 -3.860 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.859 -1.721 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.939 -3.451 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.386 -2.587 0.636 1.00 0.00 H new