USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 239 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 699 SER OG : rot 77:sc= 0.738 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.178 (180deg=-0.963) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.931 5.935 -0.917 1.00 1.00 N ATOM 132 CA LEU A 694 17.551 5.357 0.274 1.00 1.00 C ATOM 133 C LEU A 694 17.921 3.890 0.064 1.00 1.00 C ATOM 134 O LEU A 694 18.989 3.447 0.485 1.00 1.00 O ATOM 135 CB LEU A 694 16.601 5.479 1.465 1.00 1.00 C ATOM 136 CG LEU A 694 16.660 6.910 2.021 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.492 7.129 2.980 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.981 7.146 2.774 1.00 1.00 C ATOM 0 HA LEU A 694 18.469 5.911 0.472 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.583 5.238 1.158 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.878 4.764 2.240 1.00 1.00 H new ATOM 0 HG LEU A 694 16.599 7.610 1.188 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.532 8.144 3.376 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.552 6.984 2.448 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.557 6.416 3.802 1.00 1.00 H new ATOM 0 HD21 LEU A 694 18.003 8.165 3.160 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.058 6.442 3.603 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.819 6.998 2.093 1.00 1.00 H new ATOM 150 N VAL A 695 17.035 3.135 -0.580 1.00 1.00 N ATOM 151 CA VAL A 695 17.275 1.717 -0.825 1.00 1.00 C ATOM 152 C VAL A 695 18.490 1.519 -1.723 1.00 1.00 C ATOM 153 O VAL A 695 19.305 0.627 -1.495 1.00 1.00 O ATOM 154 CB VAL A 695 16.049 1.080 -1.482 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.361 -0.372 -1.849 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.871 1.112 -0.505 1.00 1.00 C ATOM 0 H VAL A 695 16.146 3.481 -0.941 1.00 1.00 H new ATOM 0 HA VAL A 695 17.465 1.237 0.135 1.00 1.00 H new ATOM 0 HB VAL A 695 15.792 1.637 -2.383 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.487 -0.825 -2.317 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.200 -0.399 -2.544 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.619 -0.928 -0.947 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.998 0.658 -0.973 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.130 0.556 0.396 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.645 2.145 -0.241 1.00 1.00 H new ATOM 166 N VAL A 696 18.603 2.357 -2.746 1.00 1.00 N ATOM 167 CA VAL A 696 19.727 2.251 -3.665 1.00 1.00 C ATOM 168 C VAL A 696 21.044 2.498 -2.932 1.00 1.00 C ATOM 169 O VAL A 696 22.002 1.740 -3.074 1.00 1.00 O ATOM 170 CB VAL A 696 19.574 3.262 -4.801 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.828 3.232 -5.677 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.348 2.901 -5.644 1.00 1.00 C ATOM 0 H VAL A 696 17.942 3.105 -2.958 1.00 1.00 H new ATOM 0 HA VAL A 696 19.738 1.243 -4.079 1.00 1.00 H new ATOM 0 HB VAL A 696 19.444 4.262 -4.387 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.722 3.952 -6.488 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.699 3.490 -5.074 1.00 1.00 H new ATOM 0 HG13 VAL A 696 20.957 2.233 -6.093 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.239 3.622 -6.454 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.475 1.902 -6.062 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.457 2.922 -5.017 1.00 1.00 H new ATOM 182 N LEU A 697 21.079 3.571 -2.147 1.00 1.00 N ATOM 183 CA LEU A 697 22.289 3.905 -1.401 1.00 1.00 C ATOM 184 C LEU A 697 22.616 2.807 -0.391 1.00 1.00 C ATOM 185 O LEU A 697 23.778 2.447 -0.206 1.00 1.00 O ATOM 186 CB LEU A 697 22.117 5.249 -0.680 1.00 1.00 C ATOM 187 CG LEU A 697 22.070 6.387 -1.712 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.732 7.708 -1.015 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.427 6.524 -2.420 1.00 1.00 C ATOM 0 H LEU A 697 20.299 4.214 -2.012 1.00 1.00 H new ATOM 0 HA LEU A 697 23.116 3.987 -2.107 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.200 5.242 -0.090 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.942 5.408 0.015 1.00 1.00 H new ATOM 0 HG LEU A 697 21.302 6.153 -2.450 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.700 8.510 -1.752 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.761 7.624 -0.528 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.494 7.931 -0.268 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.378 7.334 -3.148 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.201 6.744 -1.684 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.667 5.591 -2.931 1.00 1.00 H new ATOM 201 N LEU A 698 21.583 2.287 0.261 1.00 1.00 N ATOM 202 CA LEU A 698 21.762 1.234 1.252 1.00 1.00 C ATOM 203 C LEU A 698 22.348 -0.022 0.609 1.00 1.00 C ATOM 204 O LEU A 698 23.196 -0.696 1.193 1.00 1.00 O ATOM 205 CB LEU A 698 20.425 0.909 1.919 1.00 1.00 C ATOM 206 CG LEU A 698 20.104 1.988 2.961 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.648 1.851 3.410 1.00 1.00 C ATOM 208 CD2 LEU A 698 21.026 1.841 4.183 1.00 1.00 C ATOM 0 H LEU A 698 20.615 2.577 0.122 1.00 1.00 H new ATOM 0 HA LEU A 698 22.461 1.589 2.009 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.634 0.863 1.171 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.471 -0.070 2.395 1.00 1.00 H new ATOM 0 HG LEU A 698 20.262 2.968 2.510 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.422 2.618 4.150 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.989 1.971 2.550 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.494 0.866 3.850 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.787 2.613 4.914 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.881 0.859 4.632 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.065 1.947 3.870 1.00 1.00 H new ATOM 220 N SER A 699 21.894 -0.314 -0.610 1.00 1.00 N ATOM 221 CA SER A 699 22.373 -1.474 -1.356 1.00 1.00 C ATOM 222 C SER A 699 23.846 -1.309 -1.718 1.00 1.00 C ATOM 223 O SER A 699 24.625 -2.263 -1.656 1.00 1.00 O ATOM 224 CB SER A 699 21.547 -1.643 -2.632 1.00 1.00 C ATOM 225 OG SER A 699 20.214 -1.990 -2.281 1.00 1.00 O ATOM 0 H SER A 699 21.193 0.240 -1.102 1.00 1.00 H new ATOM 0 HA SER A 699 22.264 -2.359 -0.729 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.555 -0.719 -3.210 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.983 -2.418 -3.263 1.00 1.00 H new ATOM 0 HG SER A 699 19.737 -1.190 -1.977 1.00 1.00 H new ATOM 231 N VAL A 700 24.216 -0.092 -2.104 1.00 1.00 N ATOM 232 CA VAL A 700 25.598 0.188 -2.485 1.00 1.00 C ATOM 233 C VAL A 700 26.548 -0.036 -1.311 1.00 1.00 C ATOM 234 O VAL A 700 27.620 -0.623 -1.469 1.00 1.00 O ATOM 235 CB VAL A 700 25.725 1.635 -2.970 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.206 2.014 -3.060 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.078 1.766 -4.352 1.00 1.00 C ATOM 0 H VAL A 700 23.587 0.709 -2.161 1.00 1.00 H new ATOM 0 HA VAL A 700 25.870 -0.496 -3.289 1.00 1.00 H new ATOM 0 HB VAL A 700 25.222 2.301 -2.269 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.298 3.044 -3.405 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.666 1.919 -2.077 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.710 1.350 -3.762 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.167 2.795 -4.699 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.581 1.101 -5.054 1.00 1.00 H new ATOM 0 HG23 VAL A 700 24.024 1.495 -4.288 1.00 1.00 H new ATOM 247 N MET A 701 26.160 0.468 -0.143 1.00 1.00 N ATOM 248 CA MET A 701 26.994 0.358 1.052 1.00 1.00 C ATOM 249 C MET A 701 27.232 -1.091 1.460 1.00 1.00 C ATOM 250 O MET A 701 28.347 -1.454 1.841 1.00 1.00 O ATOM 251 CB MET A 701 26.329 1.093 2.216 1.00 1.00 C ATOM 252 CG MET A 701 26.516 2.601 2.045 1.00 1.00 C ATOM 253 SD MET A 701 25.622 3.476 3.357 1.00 1.00 S ATOM 254 CE MET A 701 26.617 2.910 4.761 1.00 1.00 C ATOM 0 H MET A 701 25.276 0.956 0.002 1.00 1.00 H new ATOM 0 HA MET A 701 27.958 0.806 0.812 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.267 0.850 2.253 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.764 0.767 3.161 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.576 2.853 2.083 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.148 2.915 1.068 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.544 3.633 5.573 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.248 1.943 5.102 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.658 2.813 4.454 1.00 1.00 H new ATOM 264 N GLY A 702 26.192 -1.913 1.400 1.00 1.00 N ATOM 265 CA GLY A 702 26.329 -3.309 1.791 1.00 1.00 C ATOM 266 C GLY A 702 27.254 -4.065 0.848 1.00 1.00 C ATOM 267 O GLY A 702 28.090 -4.854 1.286 1.00 1.00 O ATOM 0 H GLY A 702 25.259 -1.643 1.089 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.718 -3.367 2.808 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.348 -3.784 1.798 1.00 1.00 H new ATOM 271 N ALA A 703 27.081 -3.842 -0.445 1.00 1.00 N ATOM 272 CA ALA A 703 27.887 -4.537 -1.439 1.00 1.00 C ATOM 273 C ALA A 703 29.380 -4.283 -1.248 1.00 1.00 C ATOM 274 O ALA A 703 30.192 -5.205 -1.327 1.00 1.00 O ATOM 275 CB ALA A 703 27.476 -4.086 -2.841 1.00 1.00 C ATOM 0 H ALA A 703 26.396 -3.191 -0.830 1.00 1.00 H new ATOM 0 HA ALA A 703 27.710 -5.605 -1.315 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.081 -4.608 -3.583 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.423 -4.317 -3.004 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.631 -3.011 -2.937 1.00 1.00 H new ATOM 281 N ILE A 704 29.727 -3.022 -1.004 1.00 1.00 N ATOM 282 CA ILE A 704 31.124 -2.645 -0.812 1.00 1.00 C ATOM 283 C ILE A 704 31.704 -3.292 0.441 1.00 1.00 C ATOM 284 O ILE A 704 32.824 -3.803 0.428 1.00 1.00 O ATOM 285 CB ILE A 704 31.230 -1.126 -0.688 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.859 -0.487 -2.027 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.665 -0.742 -0.322 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.679 1.021 -1.847 1.00 1.00 C ATOM 0 H ILE A 704 29.065 -2.249 -0.935 1.00 1.00 H new ATOM 0 HA ILE A 704 31.691 -2.994 -1.675 1.00 1.00 H new ATOM 0 HB ILE A 704 30.552 -0.773 0.089 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.638 -0.685 -2.763 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.939 -0.930 -2.410 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.740 0.342 -0.234 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.934 -1.203 0.628 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.345 -1.091 -1.100 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.415 1.473 -2.803 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.884 1.209 -1.125 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.609 1.458 -1.484 1.00 1.00 H new ATOM 300 N LEU A 705 30.939 -3.253 1.526 1.00 1.00 N ATOM 301 CA LEU A 705 31.389 -3.820 2.794 1.00 1.00 C ATOM 302 C LEU A 705 31.581 -5.328 2.701 1.00 1.00 C ATOM 303 O LEU A 705 32.545 -5.868 3.245 1.00 1.00 O ATOM 304 CB LEU A 705 30.379 -3.490 3.899 1.00 1.00 C ATOM 305 CG LEU A 705 30.423 -1.986 4.201 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.286 -1.620 5.157 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.765 -1.610 4.843 1.00 1.00 C ATOM 0 H LEU A 705 30.008 -2.837 1.555 1.00 1.00 H new ATOM 0 HA LEU A 705 32.355 -3.376 3.034 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.376 -3.780 3.587 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.610 -4.059 4.799 1.00 1.00 H new ATOM 0 HG LEU A 705 30.309 -1.438 3.266 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.319 -0.552 5.370 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.330 -1.869 4.697 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.398 -2.179 6.086 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.782 -0.540 5.051 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.891 -2.163 5.774 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.577 -1.859 4.160 1.00 1.00 H new ATOM 319 N LEU A 706 30.664 -6.016 2.033 1.00 1.00 N ATOM 320 CA LEU A 706 30.756 -7.467 1.912 1.00 1.00 C ATOM 321 C LEU A 706 31.994 -7.905 1.129 1.00 1.00 C ATOM 322 O LEU A 706 32.688 -8.849 1.510 1.00 1.00 O ATOM 323 CB LEU A 706 29.500 -8.004 1.224 1.00 1.00 C ATOM 324 CG LEU A 706 28.291 -7.845 2.157 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.008 -8.169 1.389 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.414 -8.789 3.362 1.00 1.00 C ATOM 0 H LEU A 706 29.856 -5.599 1.571 1.00 1.00 H new ATOM 0 HA LEU A 706 30.841 -7.876 2.919 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.326 -7.466 0.292 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.636 -9.054 0.965 1.00 1.00 H new ATOM 0 HG LEU A 706 28.259 -6.816 2.516 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.149 -8.056 2.051 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.907 -7.487 0.545 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.052 -9.195 1.023 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.549 -8.663 4.013 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.458 -9.821 3.013 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.322 -8.554 3.917 1.00 1.00 H new ATOM 338 N ILE A 707 32.271 -7.194 0.038 1.00 1.00 N ATOM 339 CA ILE A 707 33.437 -7.501 -0.786 1.00 1.00 C ATOM 340 C ILE A 707 34.715 -7.281 0.016 1.00 1.00 C ATOM 341 O ILE A 707 35.644 -8.085 -0.038 1.00 1.00 O ATOM 342 CB ILE A 707 33.439 -6.619 -2.039 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.270 -7.029 -2.937 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.753 -6.804 -2.809 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.055 -5.972 -4.023 1.00 1.00 C ATOM 0 H ILE A 707 31.710 -6.409 -0.293 1.00 1.00 H new ATOM 0 HA ILE A 707 33.391 -8.546 -1.092 1.00 1.00 H new ATOM 0 HB ILE A 707 33.340 -5.574 -1.745 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.473 -7.997 -3.394 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.364 -7.141 -2.342 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.746 -6.173 -3.698 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.591 -6.523 -2.171 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.857 -7.848 -3.105 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.222 -6.269 -4.660 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.832 -5.012 -3.557 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.958 -5.881 -4.626 1.00 1.00 H new ATOM 357 N GLY A 708 34.747 -6.178 0.759 1.00 1.00 N ATOM 358 CA GLY A 708 35.913 -5.857 1.573 1.00 1.00 C ATOM 359 C GLY A 708 36.198 -6.987 2.554 1.00 1.00 C ATOM 360 O GLY A 708 37.351 -7.370 2.759 1.00 1.00 O ATOM 0 H GLY A 708 33.988 -5.499 0.814 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.780 -5.695 0.932 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.741 -4.928 2.117 1.00 1.00 H new ATOM 364 N LEU A 709 35.139 -7.524 3.150 1.00 1.00 N ATOM 365 CA LEU A 709 35.297 -8.620 4.100 1.00 1.00 C ATOM 366 C LEU A 709 35.882 -9.839 3.393 1.00 1.00 C ATOM 367 O LEU A 709 36.784 -10.496 3.914 1.00 1.00 O ATOM 368 CB LEU A 709 33.947 -8.977 4.730 1.00 1.00 C ATOM 369 CG LEU A 709 33.493 -7.841 5.655 1.00 1.00 C ATOM 370 CD1 LEU A 709 32.060 -8.105 6.118 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.411 -7.750 6.883 1.00 1.00 C ATOM 0 H LEU A 709 34.176 -7.225 2.996 1.00 1.00 H new ATOM 0 HA LEU A 709 35.978 -8.304 4.890 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.204 -9.144 3.951 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.032 -9.906 5.293 1.00 1.00 H new ATOM 0 HG LEU A 709 33.541 -6.901 5.105 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.736 -7.298 6.776 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.401 -8.154 5.251 1.00 1.00 H new ATOM 0 HD13 LEU A 709 32.020 -9.051 6.658 1.00 1.00 H new ATOM 0 HD21 LEU A 709 34.075 -6.939 7.529 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.377 -8.690 7.433 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.434 -7.556 6.559 1.00 1.00 H new ATOM 383 N ALA A 710 35.373 -10.131 2.200 1.00 1.00 N ATOM 384 CA ALA A 710 35.867 -11.269 1.430 1.00 1.00 C ATOM 385 C ALA A 710 37.337 -11.061 1.084 1.00 1.00 C ATOM 386 O ALA A 710 38.131 -12.003 1.109 1.00 1.00 O ATOM 387 CB ALA A 710 35.057 -11.419 0.142 1.00 1.00 C ATOM 0 H ALA A 710 34.627 -9.602 1.749 1.00 1.00 H new ATOM 0 HA ALA A 710 35.761 -12.173 2.029 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.432 -12.270 -0.427 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.008 -11.581 0.389 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.153 -10.513 -0.456 1.00 1.00 H new ATOM 393 N ALA A 711 37.690 -9.821 0.764 1.00 1.00 N ATOM 394 CA ALA A 711 39.069 -9.506 0.417 1.00 1.00 C ATOM 395 C ALA A 711 39.987 -9.775 1.606 1.00 1.00 C ATOM 396 O ALA A 711 41.058 -10.366 1.458 1.00 1.00 O ATOM 397 CB ALA A 711 39.180 -8.036 0.003 1.00 1.00 C ATOM 0 H ALA A 711 37.049 -9.028 0.738 1.00 1.00 H new ATOM 0 HA ALA A 711 39.373 -10.139 -0.416 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.214 -7.808 -0.255 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.541 -7.852 -0.861 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.864 -7.400 0.830 1.00 1.00 H new ATOM 403 N LEU A 712 39.561 -9.328 2.783 1.00 1.00 N ATOM 404 CA LEU A 712 40.342 -9.506 4.001 1.00 1.00 C ATOM 405 C LEU A 712 40.524 -10.982 4.340 1.00 1.00 C ATOM 406 O LEU A 712 41.592 -11.397 4.793 1.00 1.00 O ATOM 407 CB LEU A 712 39.644 -8.807 5.174 1.00 1.00 C ATOM 408 CG LEU A 712 39.706 -7.284 4.992 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.870 -6.602 6.077 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.156 -6.794 5.097 1.00 1.00 C ATOM 0 H LEU A 712 38.676 -8.838 2.919 1.00 1.00 H new ATOM 0 HA LEU A 712 41.325 -9.067 3.830 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.605 -9.132 5.235 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.122 -9.089 6.112 1.00 1.00 H new ATOM 0 HG LEU A 712 39.312 -7.034 4.007 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.916 -5.521 5.946 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.834 -6.933 6.001 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.264 -6.865 7.059 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.185 -5.712 4.966 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.557 -7.052 6.077 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.758 -7.269 4.322 1.00 1.00 H new ATOM 422 N LEU A 713 39.465 -11.762 4.156 1.00 1.00 N ATOM 423 CA LEU A 713 39.503 -13.181 4.484 1.00 1.00 C ATOM 424 C LEU A 713 40.521 -13.959 3.651 1.00 1.00 C ATOM 425 O LEU A 713 41.278 -14.770 4.182 1.00 1.00 O ATOM 426 CB LEU A 713 38.109 -13.785 4.293 1.00 1.00 C ATOM 427 CG LEU A 713 37.180 -13.287 5.409 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.735 -13.663 5.075 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.570 -13.924 6.752 1.00 1.00 C ATOM 0 H LEU A 713 38.573 -11.437 3.783 1.00 1.00 H new ATOM 0 HA LEU A 713 39.817 -13.263 5.524 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.709 -13.503 3.319 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.167 -14.873 4.311 1.00 1.00 H new ATOM 0 HG LEU A 713 37.274 -12.204 5.487 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.075 -13.310 5.867 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.448 -13.201 4.130 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.651 -14.746 4.989 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.903 -13.562 7.534 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.487 -15.008 6.678 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.597 -13.654 6.998 1.00 1.00 H new ATOM 441 N ILE A 714 40.564 -13.686 2.350 1.00 1.00 N ATOM 442 CA ILE A 714 41.525 -14.356 1.481 1.00 1.00 C ATOM 443 C ILE A 714 42.939 -13.973 1.901 1.00 1.00 C ATOM 444 O ILE A 714 43.835 -14.815 1.967 1.00 1.00 O ATOM 445 CB ILE A 714 41.297 -13.950 0.025 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.964 -14.524 -0.460 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.434 -14.502 -0.835 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.595 -13.892 -1.803 1.00 1.00 C ATOM 0 H ILE A 714 39.955 -13.016 1.880 1.00 1.00 H new ATOM 0 HA ILE A 714 41.393 -15.434 1.571 1.00 1.00 H new ATOM 0 HB ILE A 714 41.273 -12.863 -0.054 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.038 -15.607 -0.564 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.182 -14.327 0.274 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.276 -14.215 -1.875 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.384 -14.096 -0.487 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.454 -15.589 -0.758 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.646 -14.301 -2.149 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.504 -12.812 -1.684 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.373 -14.112 -2.535 1.00 1.00 H new ATOM 460 N TRP A 715 43.120 -12.692 2.187 1.00 1.00 N ATOM 461 CA TRP A 715 44.437 -12.229 2.606 1.00 1.00 C ATOM 462 C TRP A 715 44.910 -13.084 3.783 1.00 1.00 C ATOM 463 O TRP A 715 46.016 -13.626 3.777 1.00 1.00 O ATOM 464 CB TRP A 715 44.335 -10.755 3.024 1.00 1.00 C ATOM 465 CG TRP A 715 45.660 -10.208 3.474 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.869 -10.812 3.333 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.919 -8.939 4.143 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.842 -9.992 3.876 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.307 -8.829 4.387 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.088 -7.881 4.559 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.853 -7.715 5.022 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.636 -6.756 5.198 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.016 -6.674 5.427 1.00 1.00 C ATOM 0 H TRP A 715 42.398 -11.973 2.140 1.00 1.00 H new ATOM 0 HA TRP A 715 45.153 -12.319 1.789 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.964 -10.165 2.186 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.608 -10.656 3.830 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.042 -11.774 2.873 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.836 -10.221 3.896 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.023 -7.935 4.386 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.917 -7.658 5.200 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 44.990 -5.950 5.514 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.432 -5.806 5.917 1.00 1.00 H new ATOM 484 N LYS A 716 44.042 -13.211 4.782 1.00 1.00 N ATOM 485 CA LYS A 716 44.342 -14.009 5.970 1.00 1.00 C ATOM 486 C LYS A 716 44.588 -15.466 5.582 1.00 1.00 C ATOM 487 O LYS A 716 45.478 -16.121 6.126 1.00 1.00 O ATOM 488 CB LYS A 716 43.146 -13.936 6.935 1.00 1.00 C ATOM 489 CG LYS A 716 43.387 -14.669 8.279 1.00 1.00 C ATOM 490 CD LYS A 716 44.200 -13.855 9.322 1.00 1.00 C ATOM 491 CE LYS A 716 45.688 -13.719 8.986 1.00 1.00 C ATOM 492 NZ LYS A 716 46.411 -13.284 10.216 1.00 1.00 N ATOM 0 H LYS A 716 43.122 -12.771 4.794 1.00 1.00 H new ATOM 0 HA LYS A 716 45.238 -13.616 6.449 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.917 -12.890 7.137 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.271 -14.366 6.448 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.422 -14.930 8.713 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.910 -15.604 8.079 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.765 -12.859 9.409 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.101 -14.332 10.297 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.085 -14.670 8.629 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.831 -12.993 8.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.425 -13.186 10.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.034 -12.369 10.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.279 -13.993 10.965 1.00 1.00 H new ATOM 506 N LEU A 717 43.789 -15.970 4.645 1.00 1.00 N ATOM 507 CA LEU A 717 43.924 -17.354 4.204 1.00 1.00 C ATOM 508 C LEU A 717 45.317 -17.572 3.624 1.00 1.00 C ATOM 509 O LEU A 717 45.941 -18.603 3.881 1.00 1.00 O ATOM 510 CB LEU A 717 42.852 -17.669 3.150 1.00 1.00 C ATOM 511 CG LEU A 717 42.912 -19.151 2.759 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.619 -20.024 3.983 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.864 -19.431 1.679 1.00 1.00 C ATOM 0 H LEU A 717 43.048 -15.446 4.180 1.00 1.00 H new ATOM 0 HA LEU A 717 43.787 -18.022 5.054 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.864 -17.429 3.543 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.005 -17.046 2.268 1.00 1.00 H new ATOM 0 HG LEU A 717 43.907 -19.383 2.380 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.663 -21.075 3.699 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.360 -19.826 4.757 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.625 -19.793 4.365 1.00 1.00 H new ATOM 0 HD21 LEU A 717 41.903 -20.483 1.398 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.872 -19.195 2.065 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.069 -18.814 0.804 1.00 1.00 H new ATOM 525 N LEU A 718 45.800 -16.631 2.826 1.00 1.00 N ATOM 526 CA LEU A 718 47.113 -16.797 2.215 1.00 1.00 C ATOM 527 C LEU A 718 48.204 -16.886 3.278 1.00 1.00 C ATOM 528 O LEU A 718 49.057 -17.771 3.238 1.00 1.00 O ATOM 529 CB LEU A 718 47.401 -15.620 1.277 1.00 1.00 C ATOM 530 CG LEU A 718 46.438 -15.668 0.080 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.597 -14.407 -0.770 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.735 -16.894 -0.792 1.00 1.00 C ATOM 0 H LEU A 718 45.317 -15.764 2.590 1.00 1.00 H new ATOM 0 HA LEU A 718 47.110 -17.727 1.646 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.285 -14.678 1.813 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.433 -15.663 0.929 1.00 1.00 H new ATOM 0 HG LEU A 718 45.419 -15.730 0.461 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.911 -14.450 -1.616 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.372 -13.529 -0.164 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.621 -14.342 -1.137 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.046 -16.916 -1.636 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.759 -16.838 -1.161 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.612 -17.800 -0.199 1.00 1.00 H new ATOM 544 N ILE A 719 48.177 -15.943 4.214 1.00 1.00 N ATOM 545 CA ILE A 719 49.167 -15.871 5.284 1.00 1.00 C ATOM 546 C ILE A 719 49.070 -17.030 6.276 1.00 1.00 C ATOM 547 O ILE A 719 50.094 -17.593 6.662 1.00 1.00 O ATOM 548 CB ILE A 719 48.995 -14.544 6.028 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.404 -13.395 5.099 1.00 1.00 C ATOM 550 CG2 ILE A 719 49.867 -14.528 7.287 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.981 -12.057 5.711 1.00 1.00 C ATOM 0 H ILE A 719 47.470 -15.209 4.253 1.00 1.00 H new ATOM 0 HA ILE A 719 50.151 -15.939 4.821 1.00 1.00 H new ATOM 0 HB ILE A 719 47.953 -14.427 6.325 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.483 -13.409 4.942 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.938 -13.522 4.122 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.737 -13.579 7.808 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.572 -15.346 7.944 1.00 1.00 H new ATOM 0 HG23 ILE A 719 50.914 -14.647 7.006 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.274 -11.244 5.047 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.899 -12.044 5.845 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.468 -11.929 6.678 1.00 1.00 H new