USER MOD reduce.3.24.130724 H: found=0, std=0, add=187, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 187 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 6 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 13 SER OG : rot 82:sc= 1.22 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00139 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 4:sc= 0.621 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 27.967 16.245 15.352 1.00 0.00 N ATOM 62 CA ASN A 6 26.510 16.007 15.329 1.00 0.00 C ATOM 63 C ASN A 6 25.642 17.076 16.040 1.00 0.00 C ATOM 64 O ASN A 6 24.547 16.813 16.545 1.00 0.00 O ATOM 65 CB ASN A 6 26.187 14.515 15.576 1.00 0.00 C ATOM 66 CG ASN A 6 25.821 14.059 16.981 1.00 0.00 C ATOM 67 OD1 ASN A 6 24.906 13.264 17.156 1.00 0.00 O ATOM 68 ND2 ASN A 6 26.551 14.442 18.002 1.00 0.00 N ATOM 0 HA ASN A 6 26.161 16.189 14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.362 14.244 14.917 1.00 0.00 H new ATOM 0 HB3 ASN A 6 27.053 13.934 15.257 1.00 0.00 H new ATOM 0 HD21 ASN A 6 26.355 14.078 18.934 1.00 0.00 H new ATOM 0 HD22 ASN A 6 27.315 15.104 17.863 1.00 0.00 H new ATOM 75 N LEU A 7 26.125 18.322 16.022 1.00 0.00 N ATOM 76 CA LEU A 7 25.505 19.495 16.644 1.00 0.00 C ATOM 77 C LEU A 7 24.090 19.786 16.106 1.00 0.00 C ATOM 78 O LEU A 7 23.245 20.307 16.839 1.00 0.00 O ATOM 79 CB LEU A 7 26.451 20.692 16.433 1.00 0.00 C ATOM 80 CG LEU A 7 26.075 21.977 17.194 1.00 0.00 C ATOM 81 CD1 LEU A 7 26.042 21.780 18.712 1.00 0.00 C ATOM 82 CD2 LEU A 7 27.104 23.063 16.879 1.00 0.00 C ATOM 0 H LEU A 7 27.000 18.551 15.551 1.00 0.00 H new ATOM 0 HA LEU A 7 25.366 19.302 17.708 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.456 20.395 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.489 20.919 15.368 1.00 0.00 H new ATOM 0 HG LEU A 7 25.074 22.260 16.868 1.00 0.00 H new ATOM 0 HD11 LEU A 7 25.771 22.719 19.195 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.306 21.017 18.964 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.026 21.464 19.059 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.845 23.976 17.414 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.093 22.728 17.191 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.109 23.260 15.807 1.00 0.00 H new ATOM 94 N ALA A 8 23.810 19.393 14.860 1.00 0.00 N ATOM 95 CA ALA A 8 22.502 19.516 14.217 1.00 0.00 C ATOM 96 C ALA A 8 21.409 18.612 14.822 1.00 0.00 C ATOM 97 O ALA A 8 20.226 18.944 14.707 1.00 0.00 O ATOM 98 CB ALA A 8 22.690 19.209 12.731 1.00 0.00 C ATOM 0 H ALA A 8 24.511 18.967 14.253 1.00 0.00 H new ATOM 0 HA ALA A 8 22.142 20.532 14.380 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.732 19.291 12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.395 19.919 12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.078 18.197 12.615 1.00 0.00 H new ATOM 104 N ALA A 9 21.778 17.510 15.484 1.00 0.00 N ATOM 105 CA ALA A 9 20.874 16.672 16.282 1.00 0.00 C ATOM 106 C ALA A 9 20.942 17.013 17.788 1.00 0.00 C ATOM 107 O ALA A 9 19.974 16.832 18.530 1.00 0.00 O ATOM 108 CB ALA A 9 21.231 15.204 16.017 1.00 0.00 C ATOM 0 H ALA A 9 22.738 17.167 15.480 1.00 0.00 H new ATOM 0 HA ALA A 9 19.843 16.863 15.984 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.573 14.559 16.599 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.108 14.985 14.956 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.266 15.023 16.307 1.00 0.00 H new ATOM 114 N CYS A 10 22.082 17.541 18.239 1.00 0.00 N ATOM 115 CA CYS A 10 22.349 17.839 19.642 1.00 0.00 C ATOM 116 C CYS A 10 21.546 19.037 20.171 1.00 0.00 C ATOM 117 O CYS A 10 20.872 18.910 21.191 1.00 0.00 O ATOM 118 CB CYS A 10 23.850 18.072 19.792 1.00 0.00 C ATOM 119 SG CYS A 10 24.458 18.265 21.482 1.00 0.00 S ATOM 0 H CYS A 10 22.860 17.777 17.623 1.00 0.00 H new ATOM 0 HA CYS A 10 22.026 16.991 20.246 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.375 17.235 19.332 1.00 0.00 H new ATOM 0 HB3 CYS A 10 24.117 18.965 19.227 1.00 0.00 H new ATOM 124 N GLU A 11 21.561 20.185 19.484 1.00 0.00 N ATOM 125 CA GLU A 11 20.852 21.392 19.954 1.00 0.00 C ATOM 126 C GLU A 11 19.330 21.209 19.936 1.00 0.00 C ATOM 127 O GLU A 11 18.675 21.546 20.922 1.00 0.00 O ATOM 128 CB GLU A 11 21.257 22.609 19.119 1.00 0.00 C ATOM 129 CG GLU A 11 22.652 23.145 19.480 1.00 0.00 C ATOM 130 CD GLU A 11 22.573 24.269 20.517 1.00 0.00 C ATOM 131 OE1 GLU A 11 22.017 24.062 21.614 1.00 0.00 O ATOM 132 OE2 GLU A 11 23.035 25.403 20.224 1.00 0.00 O ATOM 0 H GLU A 11 22.055 20.309 18.600 1.00 0.00 H new ATOM 0 HA GLU A 11 21.146 21.560 20.990 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.239 22.341 18.063 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.521 23.401 19.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.265 22.332 19.869 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.145 23.513 18.580 1.00 0.00 H new ATOM 139 N LEU A 12 18.761 20.561 18.910 1.00 0.00 N ATOM 140 CA LEU A 12 17.334 20.193 18.901 1.00 0.00 C ATOM 141 C LEU A 12 16.951 19.142 19.964 1.00 0.00 C ATOM 142 O LEU A 12 15.765 18.953 20.231 1.00 0.00 O ATOM 143 CB LEU A 12 16.866 19.843 17.474 1.00 0.00 C ATOM 144 CG LEU A 12 17.462 18.593 16.793 1.00 0.00 C ATOM 145 CD1 LEU A 12 16.932 17.265 17.343 1.00 0.00 C ATOM 146 CD2 LEU A 12 17.090 18.617 15.309 1.00 0.00 C ATOM 0 H LEU A 12 19.268 20.279 18.071 1.00 0.00 H new ATOM 0 HA LEU A 12 16.775 21.076 19.210 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.783 19.723 17.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.076 20.701 16.836 1.00 0.00 H new ATOM 0 HG LEU A 12 18.535 18.638 16.980 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.401 16.438 16.811 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.166 17.192 18.405 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.852 17.219 17.205 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.505 17.738 14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.005 18.612 15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.494 19.518 14.847 1.00 0.00 H new ATOM 158 N SER A 13 17.940 18.507 20.606 1.00 0.00 N ATOM 159 CA SER A 13 17.768 17.636 21.780 1.00 0.00 C ATOM 160 C SER A 13 17.984 18.368 23.118 1.00 0.00 C ATOM 161 O SER A 13 17.756 17.774 24.175 1.00 0.00 O ATOM 162 CB SER A 13 18.704 16.422 21.688 1.00 0.00 C ATOM 163 OG SER A 13 18.450 15.672 20.512 1.00 0.00 O ATOM 0 H SER A 13 18.914 18.587 20.315 1.00 0.00 H new ATOM 0 HA SER A 13 16.730 17.305 21.767 1.00 0.00 H new ATOM 0 HB2 SER A 13 19.741 16.757 21.693 1.00 0.00 H new ATOM 0 HB3 SER A 13 18.570 15.788 22.564 1.00 0.00 H new ATOM 0 HG SER A 13 18.905 16.091 19.752 1.00 0.00 H new ATOM 169 N CYS A 14 18.415 19.635 23.092 1.00 0.00 N ATOM 170 CA CYS A 14 18.736 20.458 24.263 1.00 0.00 C ATOM 171 C CYS A 14 17.799 21.677 24.408 1.00 0.00 C ATOM 172 O CYS A 14 17.254 21.914 25.484 1.00 0.00 O ATOM 173 CB CYS A 14 20.209 20.889 24.157 1.00 0.00 C ATOM 174 SG CYS A 14 21.454 19.569 24.323 1.00 0.00 S ATOM 0 H CYS A 14 18.556 20.136 22.215 1.00 0.00 H new ATOM 0 HA CYS A 14 18.582 19.865 25.165 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.354 21.376 23.193 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.402 21.639 24.925 1.00 0.00 H new ATOM 179 N ARG A 15 17.543 22.440 23.336 1.00 0.00 N ATOM 180 CA ARG A 15 16.841 23.741 23.401 1.00 0.00 C ATOM 181 C ARG A 15 15.382 23.653 23.854 1.00 0.00 C ATOM 182 O ARG A 15 14.882 24.616 24.437 1.00 0.00 O ATOM 183 CB ARG A 15 16.955 24.471 22.049 1.00 0.00 C ATOM 184 CG ARG A 15 18.392 24.888 21.695 1.00 0.00 C ATOM 185 CD ARG A 15 18.948 25.994 22.604 1.00 0.00 C ATOM 186 NE ARG A 15 20.369 26.204 22.309 1.00 0.00 N ATOM 187 CZ ARG A 15 21.104 27.267 22.552 1.00 0.00 C ATOM 188 NH1 ARG A 15 20.694 28.331 23.176 1.00 0.00 N ATOM 189 NH2 ARG A 15 22.332 27.286 22.155 1.00 0.00 N ATOM 0 H ARG A 15 17.817 22.175 22.390 1.00 0.00 H new ATOM 0 HA ARG A 15 17.344 24.316 24.178 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.569 23.823 21.262 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.323 25.359 22.070 1.00 0.00 H new ATOM 0 HG2 ARG A 15 19.042 24.015 21.758 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.419 25.231 20.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.393 26.919 22.449 1.00 0.00 H new ATOM 0 HD3 ARG A 15 18.820 25.717 23.651 1.00 0.00 H new ATOM 0 HE ARG A 15 20.849 25.426 21.857 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.735 28.383 23.519 1.00 0.00 H new ATOM 0 HH12 ARG A 15 21.332 29.114 23.323 1.00 0.00 H new ATOM 0 HH21 ARG A 15 22.720 26.483 21.660 1.00 0.00 H new ATOM 0 HH22 ARG A 15 22.914 28.104 22.336 1.00 0.00 H new ATOM 203 N SER A 16 14.726 22.504 23.689 1.00 0.00 N ATOM 204 CA SER A 16 13.407 22.222 24.280 1.00 0.00 C ATOM 205 C SER A 16 13.416 22.283 25.816 1.00 0.00 C ATOM 206 O SER A 16 12.425 22.696 26.414 1.00 0.00 O ATOM 207 CB SER A 16 12.915 20.843 23.820 1.00 0.00 C ATOM 208 OG SER A 16 13.914 19.855 24.015 1.00 0.00 O ATOM 0 H SER A 16 15.095 21.731 23.136 1.00 0.00 H new ATOM 0 HA SER A 16 12.729 23.001 23.932 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.016 20.571 24.373 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.640 20.884 22.766 1.00 0.00 H new ATOM 0 HG SER A 16 13.576 18.985 23.716 1.00 0.00 H new ATOM 214 N LEU A 17 14.548 21.957 26.448 1.00 0.00 N ATOM 215 CA LEU A 17 14.764 21.945 27.902 1.00 0.00 C ATOM 216 C LEU A 17 15.242 23.308 28.448 1.00 0.00 C ATOM 217 O LEU A 17 15.387 23.493 29.661 1.00 0.00 O ATOM 218 CB LEU A 17 15.789 20.845 28.256 1.00 0.00 C ATOM 219 CG LEU A 17 15.683 19.520 27.481 1.00 0.00 C ATOM 220 CD1 LEU A 17 16.764 18.547 27.948 1.00 0.00 C ATOM 221 CD2 LEU A 17 14.324 18.843 27.647 1.00 0.00 C ATOM 0 H LEU A 17 15.384 21.679 25.933 1.00 0.00 H new ATOM 0 HA LEU A 17 13.804 21.737 28.374 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.789 21.250 28.100 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.696 20.624 29.319 1.00 0.00 H new ATOM 0 HG LEU A 17 15.813 19.771 26.428 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.678 17.613 27.392 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.747 18.984 27.773 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.639 18.348 29.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.309 17.913 27.078 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.152 18.626 28.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.540 19.506 27.280 1.00 0.00 H new ATOM 233 N GLY A 18 15.522 24.266 27.558 1.00 0.00 N ATOM 234 CA GLY A 18 16.042 25.588 27.907 1.00 0.00 C ATOM 235 C GLY A 18 17.539 25.630 28.246 1.00 0.00 C ATOM 236 O GLY A 18 17.966 26.574 28.916 1.00 0.00 O ATOM 0 H GLY A 18 15.390 24.139 26.555 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.855 26.266 27.075 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.481 25.968 28.761 1.00 0.00 H new ATOM 240 N LEU A 19 18.334 24.636 27.825 1.00 0.00 N ATOM 241 CA LEU A 19 19.807 24.669 27.890 1.00 0.00 C ATOM 242 C LEU A 19 20.483 24.496 26.511 1.00 0.00 C ATOM 243 O LEU A 19 19.841 24.187 25.508 1.00 0.00 O ATOM 244 CB LEU A 19 20.376 23.736 28.999 1.00 0.00 C ATOM 245 CG LEU A 19 20.067 22.219 29.007 1.00 0.00 C ATOM 246 CD1 LEU A 19 18.891 21.908 29.932 1.00 0.00 C ATOM 247 CD2 LEU A 19 19.772 21.655 27.631 1.00 0.00 C ATOM 0 H LEU A 19 17.969 23.772 27.423 1.00 0.00 H new ATOM 0 HA LEU A 19 20.077 25.679 28.199 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.461 23.840 28.977 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.037 24.135 29.955 1.00 0.00 H new ATOM 0 HG LEU A 19 20.975 21.739 29.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.693 20.836 29.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.134 22.222 30.947 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.006 22.444 29.589 1.00 0.00 H new ATOM 0 HD21 LEU A 19 19.565 20.588 27.712 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.905 22.162 27.208 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.634 21.809 26.982 1.00 0.00 H new ATOM 259 N LEU A 20 21.801 24.705 26.495 1.00 0.00 N ATOM 260 CA LEU A 20 22.696 24.682 25.333 1.00 0.00 C ATOM 261 C LEU A 20 23.235 23.262 25.095 1.00 0.00 C ATOM 262 O LEU A 20 23.710 22.622 26.037 1.00 0.00 O ATOM 263 CB LEU A 20 23.816 25.714 25.620 1.00 0.00 C ATOM 264 CG LEU A 20 25.139 25.581 24.835 1.00 0.00 C ATOM 265 CD1 LEU A 20 24.985 25.892 23.351 1.00 0.00 C ATOM 266 CD2 LEU A 20 26.176 26.554 25.399 1.00 0.00 C ATOM 0 H LEU A 20 22.309 24.910 27.356 1.00 0.00 H new ATOM 0 HA LEU A 20 22.178 24.953 24.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.412 26.708 25.428 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.052 25.665 26.683 1.00 0.00 H new ATOM 0 HG LEU A 20 25.453 24.543 24.943 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.949 25.781 22.854 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.267 25.203 22.907 1.00 0.00 H new ATOM 0 HD13 LEU A 20 24.629 26.915 23.229 1.00 0.00 H new ATOM 0 HD21 LEU A 20 27.108 26.456 24.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 25.804 27.575 25.308 1.00 0.00 H new ATOM 0 HD23 LEU A 20 26.356 26.325 26.449 1.00 0.00 H new ATOM 278 N GLY A 21 23.215 22.795 23.845 1.00 0.00 N ATOM 279 CA GLY A 21 23.958 21.617 23.390 1.00 0.00 C ATOM 280 C GLY A 21 25.420 21.945 23.086 1.00 0.00 C ATOM 281 O GLY A 21 25.700 22.794 22.238 1.00 0.00 O ATOM 0 H GLY A 21 22.670 23.235 23.104 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.912 20.841 24.155 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.484 21.212 22.496 1.00 0.00 H new ATOM 285 N LYS A 22 26.353 21.270 23.771 1.00 0.00 N ATOM 286 CA LYS A 22 27.808 21.491 23.628 1.00 0.00 C ATOM 287 C LYS A 22 28.572 20.248 23.147 1.00 0.00 C ATOM 288 O LYS A 22 28.424 19.162 23.708 1.00 0.00 O ATOM 289 CB LYS A 22 28.376 22.021 24.957 1.00 0.00 C ATOM 290 CG LYS A 22 29.793 22.591 24.772 1.00 0.00 C ATOM 291 CD LYS A 22 30.430 23.084 26.075 1.00 0.00 C ATOM 292 CE LYS A 22 30.802 21.924 27.013 1.00 0.00 C ATOM 293 NZ LYS A 22 31.769 22.357 28.049 1.00 0.00 N ATOM 0 H LYS A 22 26.121 20.545 24.450 1.00 0.00 H new ATOM 0 HA LYS A 22 27.951 22.235 22.844 1.00 0.00 H new ATOM 0 HB2 LYS A 22 27.719 22.796 25.353 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.399 21.216 25.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.430 21.823 24.334 1.00 0.00 H new ATOM 0 HG3 LYS A 22 29.754 23.417 24.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 31.324 23.664 25.844 1.00 0.00 H new ATOM 0 HD3 LYS A 22 29.738 23.754 26.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.902 21.538 27.492 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.230 21.107 26.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.000 21.552 28.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.636 22.703 27.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.350 23.120 28.618 1.00 0.00 H new ATOM 307 N CYS A 23 29.433 20.422 22.145 1.00 0.00 N ATOM 308 CA CYS A 23 30.339 19.396 21.640 1.00 0.00 C ATOM 309 C CYS A 23 31.644 19.305 22.454 1.00 0.00 C ATOM 310 O CYS A 23 32.302 20.319 22.699 1.00 0.00 O ATOM 311 CB CYS A 23 30.660 19.670 20.173 1.00 0.00 C ATOM 312 SG CYS A 23 29.298 19.477 18.998 1.00 0.00 S ATOM 0 H CYS A 23 29.520 21.309 21.648 1.00 0.00 H new ATOM 0 HA CYS A 23 29.831 18.437 21.741 1.00 0.00 H new ATOM 0 HB2 CYS A 23 31.039 20.689 20.091 1.00 0.00 H new ATOM 0 HB3 CYS A 23 31.468 19.004 19.871 1.00 0.00 H new ATOM 0 HG CYS A 23 28.206 19.190 19.643 1.00 0.00 H new ATOM 317 N ILE A 24 32.044 18.085 22.821 1.00 0.00 N ATOM 318 CA ILE A 24 33.325 17.731 23.443 1.00 0.00 C ATOM 319 C ILE A 24 33.852 16.451 22.788 1.00 0.00 C ATOM 320 O ILE A 24 33.160 15.429 22.769 1.00 0.00 O ATOM 321 CB ILE A 24 33.129 17.517 24.960 1.00 0.00 C ATOM 322 CG1 ILE A 24 32.678 18.804 25.682 1.00 0.00 C ATOM 323 CG2 ILE A 24 34.380 16.923 25.639 1.00 0.00 C ATOM 324 CD1 ILE A 24 33.758 19.892 25.813 1.00 0.00 C ATOM 0 H ILE A 24 31.448 17.269 22.684 1.00 0.00 H new ATOM 0 HA ILE A 24 34.045 18.536 23.300 1.00 0.00 H new ATOM 0 HB ILE A 24 32.326 16.786 25.052 1.00 0.00 H new ATOM 0 HG12 ILE A 24 31.826 19.223 25.147 1.00 0.00 H new ATOM 0 HG13 ILE A 24 32.329 18.539 26.680 1.00 0.00 H new ATOM 0 HG21 ILE A 24 34.189 16.793 26.704 1.00 0.00 H new ATOM 0 HG22 ILE A 24 34.613 15.957 25.191 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.224 17.599 25.502 1.00 0.00 H new ATOM 0 HD11 ILE A 24 33.344 20.755 26.334 1.00 0.00 H new ATOM 0 HD12 ILE A 24 34.604 19.499 26.377 1.00 0.00 H new ATOM 0 HD13 ILE A 24 34.093 20.194 24.821 1.00 0.00 H new ATOM 336 N GLY A 25 35.088 16.470 22.282 1.00 0.00 N ATOM 337 CA GLY A 25 35.716 15.291 21.670 1.00 0.00 C ATOM 338 C GLY A 25 34.918 14.716 20.493 1.00 0.00 C ATOM 339 O GLY A 25 34.883 13.499 20.321 1.00 0.00 O ATOM 0 H GLY A 25 35.682 17.299 22.284 1.00 0.00 H new ATOM 0 HA2 GLY A 25 36.715 15.559 21.326 1.00 0.00 H new ATOM 0 HA3 GLY A 25 35.837 14.518 22.429 1.00 0.00 H new ATOM 343 N GLU A 26 34.235 15.579 19.733 1.00 0.00 N ATOM 344 CA GLU A 26 33.339 15.251 18.610 1.00 0.00 C ATOM 345 C GLU A 26 32.081 14.414 18.957 1.00 0.00 C ATOM 346 O GLU A 26 31.297 14.080 18.069 1.00 0.00 O ATOM 347 CB GLU A 26 34.160 14.741 17.408 1.00 0.00 C ATOM 348 CG GLU A 26 35.056 15.858 16.843 1.00 0.00 C ATOM 349 CD GLU A 26 36.199 15.316 15.980 1.00 0.00 C ATOM 350 OE1 GLU A 26 35.936 14.634 14.958 1.00 0.00 O ATOM 351 OE2 GLU A 26 37.378 15.632 16.275 1.00 0.00 O ATOM 0 H GLU A 26 34.294 16.585 19.892 1.00 0.00 H new ATOM 0 HA GLU A 26 32.864 16.186 18.312 1.00 0.00 H new ATOM 0 HB2 GLU A 26 34.776 13.896 17.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 33.488 14.380 16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 26 34.449 16.540 16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 35.471 16.438 17.667 1.00 0.00 H new ATOM 358 N GLU A 27 31.816 14.163 20.243 1.00 0.00 N ATOM 359 CA GLU A 27 30.496 13.837 20.801 1.00 0.00 C ATOM 360 C GLU A 27 29.787 15.132 21.257 1.00 0.00 C ATOM 361 O GLU A 27 30.438 16.167 21.409 1.00 0.00 O ATOM 362 CB GLU A 27 30.682 12.898 22.004 1.00 0.00 C ATOM 363 CG GLU A 27 31.320 11.535 21.682 1.00 0.00 C ATOM 364 CD GLU A 27 31.457 10.660 22.938 1.00 0.00 C ATOM 365 OE1 GLU A 27 31.997 11.155 23.960 1.00 0.00 O ATOM 366 OE2 GLU A 27 31.029 9.478 22.916 1.00 0.00 O ATOM 0 H GLU A 27 32.546 14.182 20.956 1.00 0.00 H new ATOM 0 HA GLU A 27 29.886 13.348 20.041 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.300 13.403 22.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 29.709 12.726 22.463 1.00 0.00 H new ATOM 0 HG2 GLU A 27 30.713 11.015 20.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 32.303 11.689 21.237 1.00 0.00 H new ATOM 373 N CYS A 28 28.475 15.104 21.530 1.00 0.00 N ATOM 374 CA CYS A 28 27.740 16.280 22.016 1.00 0.00 C ATOM 375 C CYS A 28 26.719 15.952 23.121 1.00 0.00 C ATOM 376 O CYS A 28 26.002 14.949 23.042 1.00 0.00 O ATOM 377 CB CYS A 28 27.116 16.985 20.807 1.00 0.00 C ATOM 378 SG CYS A 28 26.419 18.627 21.128 1.00 0.00 S ATOM 0 H CYS A 28 27.896 14.271 21.421 1.00 0.00 H new ATOM 0 HA CYS A 28 28.438 16.957 22.508 1.00 0.00 H new ATOM 0 HB2 CYS A 28 27.877 17.079 20.032 1.00 0.00 H new ATOM 0 HB3 CYS A 28 26.328 16.348 20.405 1.00 0.00 H new ATOM 383 N LYS A 29 26.659 16.806 24.149 1.00 0.00 N ATOM 384 CA LYS A 29 25.869 16.665 25.391 1.00 0.00 C ATOM 385 C LYS A 29 25.478 18.063 25.904 1.00 0.00 C ATOM 386 O LYS A 29 26.256 19.005 25.729 1.00 0.00 O ATOM 387 CB LYS A 29 26.753 15.919 26.417 1.00 0.00 C ATOM 388 CG LYS A 29 26.062 15.454 27.713 1.00 0.00 C ATOM 389 CD LYS A 29 25.190 14.192 27.567 1.00 0.00 C ATOM 390 CE LYS A 29 26.036 12.948 27.268 1.00 0.00 C ATOM 391 NZ LYS A 29 25.225 11.710 27.272 1.00 0.00 N ATOM 0 H LYS A 29 27.195 17.674 24.141 1.00 0.00 H new ATOM 0 HA LYS A 29 24.950 16.103 25.222 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.181 15.045 25.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.584 16.570 26.689 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.826 15.265 28.467 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.439 16.267 28.087 1.00 0.00 H new ATOM 0 HD2 LYS A 29 24.622 14.034 28.484 1.00 0.00 H new ATOM 0 HD3 LYS A 29 24.466 14.341 26.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.518 13.062 26.297 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.830 12.863 28.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.836 10.894 27.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.785 11.586 28.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.483 11.779 26.547 1.00 0.00 H new ATOM 405 N CYS A 30 24.324 18.256 26.546 1.00 0.00 N ATOM 406 CA CYS A 30 23.945 19.586 27.025 1.00 0.00 C ATOM 407 C CYS A 30 24.763 20.030 28.257 1.00 0.00 C ATOM 408 O CYS A 30 25.428 19.213 28.902 1.00 0.00 O ATOM 409 CB CYS A 30 22.442 19.678 27.298 1.00 0.00 C ATOM 410 SG CYS A 30 21.274 18.800 26.205 1.00 0.00 S ATOM 0 H CYS A 30 23.645 17.521 26.744 1.00 0.00 H new ATOM 0 HA CYS A 30 24.185 20.281 26.221 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.272 19.319 28.313 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.172 20.734 27.284 1.00 0.00 H new ATOM 415 N VAL A 31 24.708 21.321 28.602 1.00 0.00 N ATOM 416 CA VAL A 31 25.368 21.908 29.793 1.00 0.00 C ATOM 417 C VAL A 31 24.362 22.433 30.837 1.00 0.00 C ATOM 418 O VAL A 31 23.201 22.685 30.498 1.00 0.00 O ATOM 419 CB VAL A 31 26.353 23.032 29.394 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.504 22.496 28.540 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.678 24.188 28.658 1.00 0.00 C ATOM 0 H VAL A 31 24.193 22.010 28.054 1.00 0.00 H new ATOM 0 HA VAL A 31 25.926 21.095 30.258 1.00 0.00 H new ATOM 0 HB VAL A 31 26.746 23.417 30.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.175 23.314 28.279 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.054 21.741 29.102 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.104 22.050 27.629 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.423 24.943 28.406 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.214 23.816 27.744 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.915 24.631 29.298 1.00 0.00 H new