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 92:sc= 1.23 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.127 (180deg=-0.933) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.528 5.802 -0.183 1.00 0.21 N ATOM 132 CA LEU A 694 18.117 5.109 0.917 1.00 0.19 C ATOM 133 C LEU A 694 18.479 3.682 0.507 1.00 0.16 C ATOM 134 O LEU A 694 19.552 3.198 0.839 1.00 0.18 O ATOM 135 CB LEU A 694 17.118 5.097 2.073 1.00 0.27 C ATOM 136 CG LEU A 694 16.856 6.553 2.537 1.00 0.91 C ATOM 137 CD1 LEU A 694 15.480 6.634 3.216 1.00 1.57 C ATOM 138 CD2 LEU A 694 17.967 7.052 3.508 1.00 1.50 C ATOM 0 HA LEU A 694 19.032 5.612 1.229 1.00 0.19 H new ATOM 0 HB2 LEU A 694 16.185 4.630 1.758 1.00 0.27 H new ATOM 0 HB3 LEU A 694 17.508 4.504 2.900 1.00 0.27 H new ATOM 0 HG LEU A 694 16.871 7.201 1.660 1.00 0.91 H new ATOM 0 HD11 LEU A 694 15.295 7.657 3.543 1.00 1.57 H new ATOM 0 HD12 LEU A 694 14.707 6.333 2.509 1.00 1.57 H new ATOM 0 HD13 LEU A 694 15.460 5.969 4.079 1.00 1.57 H new ATOM 0 HD21 LEU A 694 17.751 8.076 3.813 1.00 1.50 H new ATOM 0 HD22 LEU A 694 17.996 6.410 4.388 1.00 1.50 H new ATOM 0 HD23 LEU A 694 18.933 7.020 3.003 1.00 1.50 H new ATOM 150 N VAL A 695 17.574 2.992 -0.229 1.00 0.15 N ATOM 151 CA VAL A 695 17.788 1.618 -0.674 1.00 0.15 C ATOM 152 C VAL A 695 18.964 1.480 -1.649 1.00 0.14 C ATOM 153 O VAL A 695 19.782 0.573 -1.501 1.00 0.15 O ATOM 154 CB VAL A 695 16.483 1.087 -1.309 1.00 0.18 C ATOM 155 CG1 VAL A 695 16.743 -0.238 -2.044 1.00 0.62 C ATOM 156 CG2 VAL A 695 15.436 0.853 -0.202 1.00 0.57 C ATOM 0 H VAL A 695 16.680 3.384 -0.524 1.00 0.15 H new ATOM 0 HA VAL A 695 18.052 1.021 0.199 1.00 0.15 H new ATOM 0 HB VAL A 695 16.116 1.823 -2.024 1.00 0.18 H new ATOM 0 HG11 VAL A 695 15.813 -0.598 -2.485 1.00 0.62 H new ATOM 0 HG12 VAL A 695 17.480 -0.079 -2.831 1.00 0.62 H new ATOM 0 HG13 VAL A 695 17.120 -0.978 -1.338 1.00 0.62 H new ATOM 0 HG21 VAL A 695 14.514 0.478 -0.647 1.00 0.57 H new ATOM 0 HG22 VAL A 695 15.818 0.123 0.511 1.00 0.57 H new ATOM 0 HG23 VAL A 695 15.235 1.792 0.313 1.00 0.57 H new ATOM 166 N VAL A 696 19.067 2.382 -2.635 1.00 0.14 N ATOM 167 CA VAL A 696 20.196 2.280 -3.565 1.00 0.16 C ATOM 168 C VAL A 696 21.478 2.435 -2.766 1.00 0.16 C ATOM 169 O VAL A 696 22.415 1.648 -2.879 1.00 0.17 O ATOM 170 CB VAL A 696 20.165 3.375 -4.655 1.00 0.20 C ATOM 171 CG1 VAL A 696 21.495 3.360 -5.430 1.00 0.24 C ATOM 172 CG2 VAL A 696 19.002 3.139 -5.638 1.00 0.23 C ATOM 0 H VAL A 696 18.419 3.151 -2.804 1.00 0.14 H new ATOM 0 HA VAL A 696 20.136 1.313 -4.065 1.00 0.16 H new ATOM 0 HB VAL A 696 20.022 4.341 -4.172 1.00 0.20 H new ATOM 0 HG11 VAL A 696 21.476 4.131 -6.200 1.00 0.24 H new ATOM 0 HG12 VAL A 696 22.319 3.553 -4.743 1.00 0.24 H new ATOM 0 HG13 VAL A 696 21.633 2.385 -5.897 1.00 0.24 H new ATOM 0 HG21 VAL A 696 19.001 3.923 -6.396 1.00 0.23 H new ATOM 0 HG22 VAL A 696 19.124 2.169 -6.120 1.00 0.23 H new ATOM 0 HG23 VAL A 696 18.057 3.158 -5.095 1.00 0.23 H new ATOM 182 N LEU A 697 21.485 3.491 -1.965 1.00 0.16 N ATOM 183 CA LEU A 697 22.642 3.795 -1.144 1.00 0.17 C ATOM 184 C LEU A 697 22.902 2.678 -0.140 1.00 0.16 C ATOM 185 O LEU A 697 24.049 2.287 0.072 1.00 0.17 O ATOM 186 CB LEU A 697 22.415 5.120 -0.411 1.00 0.19 C ATOM 187 CG LEU A 697 22.404 6.281 -1.420 1.00 0.31 C ATOM 188 CD1 LEU A 697 21.928 7.553 -0.713 1.00 1.17 C ATOM 189 CD2 LEU A 697 23.814 6.508 -2.007 1.00 1.08 C ATOM 0 H LEU A 697 20.708 4.145 -1.868 1.00 0.16 H new ATOM 0 HA LEU A 697 23.516 3.882 -1.789 1.00 0.17 H new ATOM 0 HB2 LEU A 697 21.470 5.089 0.131 1.00 0.19 H new ATOM 0 HB3 LEU A 697 23.201 5.276 0.328 1.00 0.19 H new ATOM 0 HG LEU A 697 21.728 6.034 -2.238 1.00 0.31 H new ATOM 0 HD11 LEU A 697 21.917 8.381 -1.422 1.00 1.17 H new ATOM 0 HD12 LEU A 697 20.923 7.397 -0.322 1.00 1.17 H new ATOM 0 HD13 LEU A 697 22.605 7.787 0.109 1.00 1.17 H new ATOM 0 HD21 LEU A 697 23.783 7.333 -2.718 1.00 1.08 H new ATOM 0 HD22 LEU A 697 24.509 6.748 -1.202 1.00 1.08 H new ATOM 0 HD23 LEU A 697 24.146 5.603 -2.516 1.00 1.08 H new ATOM 201 N LEU A 698 21.840 2.163 0.477 1.00 0.14 N ATOM 202 CA LEU A 698 21.981 1.091 1.455 1.00 0.15 C ATOM 203 C LEU A 698 22.576 -0.156 0.805 1.00 0.15 C ATOM 204 O LEU A 698 23.398 -0.850 1.402 1.00 0.16 O ATOM 205 CB LEU A 698 20.628 0.753 2.095 1.00 0.15 C ATOM 206 CG LEU A 698 20.270 1.774 3.198 1.00 0.23 C ATOM 207 CD1 LEU A 698 18.771 1.672 3.517 1.00 0.92 C ATOM 208 CD2 LEU A 698 21.078 1.492 4.480 1.00 0.76 C ATOM 0 H LEU A 698 20.880 2.469 0.317 1.00 0.14 H new ATOM 0 HA LEU A 698 22.658 1.438 2.236 1.00 0.15 H new ATOM 0 HB2 LEU A 698 19.851 0.749 1.331 1.00 0.15 H new ATOM 0 HB3 LEU A 698 20.662 -0.250 2.520 1.00 0.15 H new ATOM 0 HG LEU A 698 20.512 2.775 2.840 1.00 0.23 H new ATOM 0 HD11 LEU A 698 18.515 2.391 4.295 1.00 0.92 H new ATOM 0 HD12 LEU A 698 18.192 1.888 2.619 1.00 0.92 H new ATOM 0 HD13 LEU A 698 18.541 0.665 3.864 1.00 0.92 H new ATOM 0 HD21 LEU A 698 20.812 2.221 5.245 1.00 0.76 H new ATOM 0 HD22 LEU A 698 20.850 0.489 4.840 1.00 0.76 H new ATOM 0 HD23 LEU A 698 22.143 1.566 4.262 1.00 0.76 H new ATOM 220 N SER A 699 22.164 -0.417 -0.444 1.00 0.15 N ATOM 221 CA SER A 699 22.656 -1.555 -1.211 1.00 0.15 C ATOM 222 C SER A 699 24.106 -1.330 -1.598 1.00 0.15 C ATOM 223 O SER A 699 24.921 -2.250 -1.542 1.00 0.14 O ATOM 224 CB SER A 699 21.816 -1.742 -2.476 1.00 0.17 C ATOM 225 OG SER A 699 20.459 -1.959 -2.112 1.00 0.22 O ATOM 0 H SER A 699 21.483 0.156 -0.943 1.00 0.15 H new ATOM 0 HA SER A 699 22.579 -2.450 -0.594 1.00 0.15 H new ATOM 0 HB2 SER A 699 21.897 -0.862 -3.113 1.00 0.17 H new ATOM 0 HB3 SER A 699 22.190 -2.588 -3.052 1.00 0.17 H new ATOM 0 HG SER A 699 19.987 -1.101 -2.084 1.00 0.22 H new ATOM 231 N VAL A 700 24.419 -0.099 -1.993 1.00 0.16 N ATOM 232 CA VAL A 700 25.773 0.236 -2.394 1.00 0.16 C ATOM 233 C VAL A 700 26.707 0.006 -1.219 1.00 0.14 C ATOM 234 O VAL A 700 27.783 -0.572 -1.371 1.00 0.14 O ATOM 235 CB VAL A 700 25.824 1.703 -2.847 1.00 0.20 C ATOM 236 CG1 VAL A 700 27.269 2.083 -3.190 1.00 0.74 C ATOM 237 CG2 VAL A 700 24.905 1.916 -4.086 1.00 0.64 C ATOM 0 H VAL A 700 23.756 0.675 -2.042 1.00 0.16 H new ATOM 0 HA VAL A 700 26.087 -0.395 -3.226 1.00 0.16 H new ATOM 0 HB VAL A 700 25.467 2.340 -2.038 1.00 0.20 H new ATOM 0 HG11 VAL A 700 27.305 3.124 -3.511 1.00 0.74 H new ATOM 0 HG12 VAL A 700 27.898 1.953 -2.309 1.00 0.74 H new ATOM 0 HG13 VAL A 700 27.633 1.442 -3.993 1.00 0.74 H new ATOM 0 HG21 VAL A 700 24.950 2.960 -4.397 1.00 0.64 H new ATOM 0 HG22 VAL A 700 25.243 1.279 -4.903 1.00 0.64 H new ATOM 0 HG23 VAL A 700 23.878 1.659 -3.826 1.00 0.64 H new ATOM 247 N MET A 701 26.293 0.496 -0.052 1.00 0.14 N ATOM 248 CA MET A 701 27.102 0.379 1.150 1.00 0.14 C ATOM 249 C MET A 701 27.330 -1.076 1.529 1.00 0.14 C ATOM 250 O MET A 701 28.445 -1.461 1.872 1.00 0.15 O ATOM 251 CB MET A 701 26.404 1.098 2.308 1.00 0.16 C ATOM 252 CG MET A 701 26.529 2.610 2.122 1.00 0.17 C ATOM 253 SD MET A 701 25.616 3.457 3.437 1.00 0.20 S ATOM 254 CE MET A 701 26.678 2.977 4.825 1.00 0.23 C ATOM 0 H MET A 701 25.403 0.976 0.082 1.00 0.14 H new ATOM 0 HA MET A 701 28.071 0.836 0.949 1.00 0.14 H new ATOM 0 HB2 MET A 701 25.353 0.812 2.347 1.00 0.16 H new ATOM 0 HB3 MET A 701 26.851 0.800 3.257 1.00 0.16 H new ATOM 0 HG2 MET A 701 27.578 2.905 2.145 1.00 0.17 H new ATOM 0 HG3 MET A 701 26.138 2.901 1.147 1.00 0.17 H new ATOM 0 HE1 MET A 701 26.583 3.710 5.626 1.00 0.23 H new ATOM 0 HE2 MET A 701 26.375 1.997 5.193 1.00 0.23 H new ATOM 0 HE3 MET A 701 27.715 2.935 4.492 1.00 0.23 H new ATOM 264 N GLY A 702 26.272 -1.885 1.463 1.00 0.14 N ATOM 265 CA GLY A 702 26.388 -3.289 1.814 1.00 0.15 C ATOM 266 C GLY A 702 27.262 -4.027 0.817 1.00 0.15 C ATOM 267 O GLY A 702 28.081 -4.859 1.199 1.00 0.17 O ATOM 0 H GLY A 702 25.339 -1.592 1.173 1.00 0.14 H new ATOM 0 HA2 GLY A 702 26.811 -3.384 2.814 1.00 0.15 H new ATOM 0 HA3 GLY A 702 25.398 -3.744 1.842 1.00 0.15 H new ATOM 271 N ALA A 703 27.051 -3.756 -0.467 1.00 0.15 N ATOM 272 CA ALA A 703 27.798 -4.438 -1.511 1.00 0.16 C ATOM 273 C ALA A 703 29.312 -4.249 -1.363 1.00 0.16 C ATOM 274 O ALA A 703 30.091 -5.201 -1.427 1.00 0.15 O ATOM 275 CB ALA A 703 27.331 -3.920 -2.885 1.00 0.18 C ATOM 0 H ALA A 703 26.373 -3.073 -0.805 1.00 0.15 H new ATOM 0 HA ALA A 703 27.602 -5.506 -1.422 1.00 0.16 H new ATOM 0 HB1 ALA A 703 27.887 -4.427 -3.673 1.00 0.18 H new ATOM 0 HB2 ALA A 703 26.266 -4.119 -3.006 1.00 0.18 H new ATOM 0 HB3 ALA A 703 27.509 -2.846 -2.949 1.00 0.18 H new ATOM 281 N ILE A 704 29.694 -2.993 -1.159 1.00 0.16 N ATOM 282 CA ILE A 704 31.108 -2.660 -0.993 1.00 0.17 C ATOM 283 C ILE A 704 31.682 -3.321 0.265 1.00 0.16 C ATOM 284 O ILE A 704 32.798 -3.841 0.249 1.00 0.16 O ATOM 285 CB ILE A 704 31.292 -1.139 -0.920 1.00 0.21 C ATOM 286 CG1 ILE A 704 30.971 -0.533 -2.290 1.00 0.96 C ATOM 287 CG2 ILE A 704 32.741 -0.805 -0.542 1.00 0.92 C ATOM 288 CD1 ILE A 704 30.919 0.992 -2.181 1.00 1.36 C ATOM 0 H ILE A 704 29.057 -2.198 -1.105 1.00 0.16 H new ATOM 0 HA ILE A 704 31.650 -3.041 -1.858 1.00 0.17 H new ATOM 0 HB ILE A 704 30.623 -0.728 -0.164 1.00 0.21 H new ATOM 0 HG12 ILE A 704 31.728 -0.830 -3.016 1.00 0.96 H new ATOM 0 HG13 ILE A 704 30.016 -0.914 -2.652 1.00 0.96 H new ATOM 0 HG21 ILE A 704 32.864 0.277 -0.492 1.00 0.92 H new ATOM 0 HG22 ILE A 704 32.974 -1.242 0.429 1.00 0.92 H new ATOM 0 HG23 ILE A 704 33.416 -1.213 -1.294 1.00 0.92 H new ATOM 0 HD11 ILE A 704 30.690 1.419 -3.158 1.00 1.36 H new ATOM 0 HD12 ILE A 704 30.145 1.280 -1.469 1.00 1.36 H new ATOM 0 HD13 ILE A 704 31.884 1.365 -1.839 1.00 1.36 H new ATOM 300 N LEU A 705 30.923 -3.270 1.357 1.00 0.16 N ATOM 301 CA LEU A 705 31.372 -3.835 2.629 1.00 0.17 C ATOM 302 C LEU A 705 31.544 -5.351 2.538 1.00 0.16 C ATOM 303 O LEU A 705 32.492 -5.899 3.099 1.00 0.16 O ATOM 304 CB LEU A 705 30.345 -3.490 3.742 1.00 0.19 C ATOM 305 CG LEU A 705 31.054 -3.061 5.058 1.00 1.19 C ATOM 306 CD1 LEU A 705 31.244 -1.539 5.078 1.00 1.70 C ATOM 307 CD2 LEU A 705 30.202 -3.468 6.268 1.00 1.77 C ATOM 0 H LEU A 705 29.996 -2.845 1.388 1.00 0.16 H new ATOM 0 HA LEU A 705 32.342 -3.400 2.870 1.00 0.17 H new ATOM 0 HB2 LEU A 705 29.693 -2.686 3.400 1.00 0.19 H new ATOM 0 HB3 LEU A 705 29.711 -4.355 3.934 1.00 0.19 H new ATOM 0 HG LEU A 705 32.025 -3.555 5.107 1.00 1.19 H new ATOM 0 HD11 LEU A 705 31.741 -1.247 6.003 1.00 1.70 H new ATOM 0 HD12 LEU A 705 31.854 -1.237 4.227 1.00 1.70 H new ATOM 0 HD13 LEU A 705 30.272 -1.050 5.019 1.00 1.70 H new ATOM 0 HD21 LEU A 705 30.705 -3.164 7.186 1.00 1.77 H new ATOM 0 HD22 LEU A 705 29.229 -2.980 6.209 1.00 1.77 H new ATOM 0 HD23 LEU A 705 30.066 -4.549 6.270 1.00 1.77 H new ATOM 319 N LEU A 706 30.624 -6.033 1.866 1.00 0.17 N ATOM 320 CA LEU A 706 30.688 -7.480 1.760 1.00 0.17 C ATOM 321 C LEU A 706 31.909 -7.970 0.982 1.00 0.15 C ATOM 322 O LEU A 706 32.540 -8.972 1.318 1.00 0.16 O ATOM 323 CB LEU A 706 29.400 -8.021 1.126 1.00 0.20 C ATOM 324 CG LEU A 706 28.225 -7.882 2.114 1.00 0.36 C ATOM 325 CD1 LEU A 706 26.917 -8.232 1.394 1.00 1.27 C ATOM 326 CD2 LEU A 706 28.421 -8.822 3.329 1.00 0.85 C ATOM 0 H LEU A 706 29.829 -5.607 1.389 1.00 0.17 H new ATOM 0 HA LEU A 706 30.789 -7.866 2.774 1.00 0.17 H new ATOM 0 HB2 LEU A 706 29.180 -7.476 0.208 1.00 0.20 H new ATOM 0 HB3 LEU A 706 29.532 -9.067 0.851 1.00 0.20 H new ATOM 0 HG LEU A 706 28.185 -6.855 2.476 1.00 0.36 H new ATOM 0 HD11 LEU A 706 26.082 -8.135 2.088 1.00 1.27 H new ATOM 0 HD12 LEU A 706 26.771 -7.553 0.554 1.00 1.27 H new ATOM 0 HD13 LEU A 706 26.967 -9.257 1.027 1.00 1.27 H new ATOM 0 HD21 LEU A 706 27.582 -8.710 4.015 1.00 0.85 H new ATOM 0 HD22 LEU A 706 28.473 -9.855 2.985 1.00 0.85 H new ATOM 0 HD23 LEU A 706 29.347 -8.564 3.843 1.00 0.85 H new ATOM 338 N ILE A 707 32.223 -7.203 -0.063 1.00 0.16 N ATOM 339 CA ILE A 707 33.387 -7.506 -0.888 1.00 0.19 C ATOM 340 C ILE A 707 34.666 -7.335 -0.052 1.00 0.17 C ATOM 341 O ILE A 707 35.593 -8.143 -0.116 1.00 0.18 O ATOM 342 CB ILE A 707 33.419 -6.583 -2.124 1.00 0.28 C ATOM 343 CG1 ILE A 707 32.392 -7.082 -3.151 1.00 1.12 C ATOM 344 CG2 ILE A 707 34.819 -6.592 -2.759 1.00 0.90 C ATOM 345 CD1 ILE A 707 32.210 -6.045 -4.267 1.00 1.40 C ATOM 0 H ILE A 707 31.695 -6.380 -0.353 1.00 0.16 H new ATOM 0 HA ILE A 707 33.326 -8.538 -1.235 1.00 0.19 H new ATOM 0 HB ILE A 707 33.177 -5.566 -1.817 1.00 0.28 H new ATOM 0 HG12 ILE A 707 32.723 -8.030 -3.576 1.00 1.12 H new ATOM 0 HG13 ILE A 707 31.437 -7.269 -2.660 1.00 1.12 H new ATOM 0 HG21 ILE A 707 34.828 -5.937 -3.630 1.00 0.90 H new ATOM 0 HG22 ILE A 707 35.551 -6.239 -2.032 1.00 0.90 H new ATOM 0 HG23 ILE A 707 35.073 -7.607 -3.066 1.00 0.90 H new ATOM 0 HD11 ILE A 707 31.479 -6.411 -4.988 1.00 1.40 H new ATOM 0 HD12 ILE A 707 31.858 -5.107 -3.838 1.00 1.40 H new ATOM 0 HD13 ILE A 707 33.163 -5.879 -4.769 1.00 1.40 H new ATOM 357 N GLY A 708 34.683 -6.255 0.725 1.00 0.16 N ATOM 358 CA GLY A 708 35.831 -5.949 1.581 1.00 0.16 C ATOM 359 C GLY A 708 36.122 -7.107 2.534 1.00 0.16 C ATOM 360 O GLY A 708 37.278 -7.475 2.744 1.00 0.16 O ATOM 0 H GLY A 708 33.921 -5.579 0.781 1.00 0.16 H new ATOM 0 HA2 GLY A 708 36.708 -5.751 0.964 1.00 0.16 H new ATOM 0 HA3 GLY A 708 35.632 -5.043 2.153 1.00 0.16 H new ATOM 364 N LEU A 709 35.066 -7.684 3.096 1.00 0.16 N ATOM 365 CA LEU A 709 35.246 -8.810 4.011 1.00 0.16 C ATOM 366 C LEU A 709 35.873 -9.990 3.274 1.00 0.17 C ATOM 367 O LEU A 709 36.795 -10.630 3.781 1.00 0.18 O ATOM 368 CB LEU A 709 33.897 -9.213 4.637 1.00 0.19 C ATOM 369 CG LEU A 709 33.613 -8.336 5.872 1.00 1.06 C ATOM 370 CD1 LEU A 709 32.120 -8.422 6.232 1.00 1.64 C ATOM 371 CD2 LEU A 709 34.484 -8.802 7.075 1.00 1.66 C ATOM 0 H LEU A 709 34.098 -7.402 2.941 1.00 0.16 H new ATOM 0 HA LEU A 709 35.918 -8.507 4.814 1.00 0.16 H new ATOM 0 HB2 LEU A 709 33.097 -9.097 3.906 1.00 0.19 H new ATOM 0 HB3 LEU A 709 33.918 -10.265 4.923 1.00 0.19 H new ATOM 0 HG LEU A 709 33.867 -7.301 5.642 1.00 1.06 H new ATOM 0 HD11 LEU A 709 31.920 -7.801 7.106 1.00 1.64 H new ATOM 0 HD12 LEU A 709 31.522 -8.069 5.392 1.00 1.64 H new ATOM 0 HD13 LEU A 709 31.858 -9.457 6.454 1.00 1.64 H new ATOM 0 HD21 LEU A 709 34.274 -8.174 7.941 1.00 1.66 H new ATOM 0 HD22 LEU A 709 34.250 -9.840 7.313 1.00 1.66 H new ATOM 0 HD23 LEU A 709 35.539 -8.719 6.814 1.00 1.66 H new ATOM 383 N ALA A 710 35.379 -10.266 2.075 1.00 0.16 N ATOM 384 CA ALA A 710 35.924 -11.363 1.289 1.00 0.17 C ATOM 385 C ALA A 710 37.395 -11.089 0.973 1.00 0.16 C ATOM 386 O ALA A 710 38.222 -11.997 1.006 1.00 0.17 O ATOM 387 CB ALA A 710 35.122 -11.520 -0.016 1.00 0.18 C ATOM 0 H ALA A 710 34.615 -9.755 1.632 1.00 0.16 H new ATOM 0 HA ALA A 710 35.850 -12.288 1.861 1.00 0.17 H new ATOM 0 HB1 ALA A 710 35.535 -12.343 -0.600 1.00 0.18 H new ATOM 0 HB2 ALA A 710 34.079 -11.731 0.221 1.00 0.18 H new ATOM 0 HB3 ALA A 710 35.184 -10.598 -0.594 1.00 0.18 H new ATOM 393 N ALA A 711 37.709 -9.831 0.677 1.00 0.15 N ATOM 394 CA ALA A 711 39.087 -9.464 0.360 1.00 0.14 C ATOM 395 C ALA A 711 40.007 -9.759 1.546 1.00 0.14 C ATOM 396 O ALA A 711 41.070 -10.358 1.383 1.00 0.14 O ATOM 397 CB ALA A 711 39.142 -7.967 -0.003 1.00 0.14 C ATOM 0 H ALA A 711 37.042 -9.060 0.650 1.00 0.15 H new ATOM 0 HA ALA A 711 39.430 -10.055 -0.489 1.00 0.14 H new ATOM 0 HB1 ALA A 711 40.168 -7.688 -0.241 1.00 0.14 H new ATOM 0 HB2 ALA A 711 38.505 -7.779 -0.867 1.00 0.14 H new ATOM 0 HB3 ALA A 711 38.791 -7.375 0.842 1.00 0.14 H new ATOM 403 N LEU A 712 39.597 -9.324 2.732 1.00 0.14 N ATOM 404 CA LEU A 712 40.392 -9.527 3.939 1.00 0.14 C ATOM 405 C LEU A 712 40.556 -11.007 4.270 1.00 0.14 C ATOM 406 O LEU A 712 41.606 -11.437 4.741 1.00 0.13 O ATOM 407 CB LEU A 712 39.737 -8.791 5.132 1.00 0.17 C ATOM 408 CG LEU A 712 40.211 -7.302 5.216 1.00 1.07 C ATOM 409 CD1 LEU A 712 39.004 -6.363 5.337 1.00 1.72 C ATOM 410 CD2 LEU A 712 41.110 -7.108 6.450 1.00 1.50 C ATOM 0 H LEU A 712 38.719 -8.828 2.884 1.00 0.14 H new ATOM 0 HA LEU A 712 41.385 -9.117 3.753 1.00 0.14 H new ATOM 0 HB2 LEU A 712 38.652 -8.824 5.030 1.00 0.17 H new ATOM 0 HB3 LEU A 712 39.986 -9.306 6.060 1.00 0.17 H new ATOM 0 HG LEU A 712 40.766 -7.068 4.308 1.00 1.07 H new ATOM 0 HD11 LEU A 712 39.350 -5.331 5.394 1.00 1.72 H new ATOM 0 HD12 LEU A 712 38.361 -6.482 4.465 1.00 1.72 H new ATOM 0 HD13 LEU A 712 38.442 -6.608 6.238 1.00 1.72 H new ATOM 0 HD21 LEU A 712 41.437 -6.069 6.503 1.00 1.50 H new ATOM 0 HD22 LEU A 712 40.550 -7.358 7.351 1.00 1.50 H new ATOM 0 HD23 LEU A 712 41.981 -7.759 6.372 1.00 1.50 H new ATOM 422 N LEU A 713 39.481 -11.766 4.086 1.00 0.14 N ATOM 423 CA LEU A 713 39.490 -13.173 4.439 1.00 0.15 C ATOM 424 C LEU A 713 40.481 -14.008 3.639 1.00 0.14 C ATOM 425 O LEU A 713 41.228 -14.806 4.202 1.00 0.15 O ATOM 426 CB LEU A 713 38.074 -13.752 4.296 1.00 0.18 C ATOM 427 CG LEU A 713 37.172 -13.241 5.442 1.00 0.35 C ATOM 428 CD1 LEU A 713 35.702 -13.381 5.037 1.00 1.21 C ATOM 429 CD2 LEU A 713 37.400 -14.069 6.719 1.00 0.99 C ATOM 0 H LEU A 713 38.600 -11.430 3.697 1.00 0.14 H new ATOM 0 HA LEU A 713 39.823 -13.227 5.475 1.00 0.15 H new ATOM 0 HB2 LEU A 713 37.651 -13.464 3.334 1.00 0.18 H new ATOM 0 HB3 LEU A 713 38.115 -14.841 4.313 1.00 0.18 H new ATOM 0 HG LEU A 713 37.420 -12.197 5.634 1.00 0.35 H new ATOM 0 HD11 LEU A 713 35.066 -13.021 5.845 1.00 1.21 H new ATOM 0 HD12 LEU A 713 35.515 -12.793 4.138 1.00 1.21 H new ATOM 0 HD13 LEU A 713 35.478 -14.429 4.839 1.00 1.21 H new ATOM 0 HD21 LEU A 713 36.756 -13.695 7.515 1.00 0.99 H new ATOM 0 HD22 LEU A 713 37.163 -15.114 6.522 1.00 0.99 H new ATOM 0 HD23 LEU A 713 38.443 -13.985 7.026 1.00 0.99 H new ATOM 441 N ILE A 714 40.537 -13.766 2.326 1.00 0.14 N ATOM 442 CA ILE A 714 41.509 -14.456 1.493 1.00 0.15 C ATOM 443 C ILE A 714 42.891 -13.997 1.928 1.00 0.14 C ATOM 444 O ILE A 714 43.808 -14.806 2.061 1.00 0.14 O ATOM 445 CB ILE A 714 41.305 -14.139 0.004 1.00 0.20 C ATOM 446 CG1 ILE A 714 39.861 -14.474 -0.385 1.00 0.90 C ATOM 447 CG2 ILE A 714 42.288 -14.962 -0.873 1.00 1.10 C ATOM 448 CD1 ILE A 714 39.596 -14.018 -1.822 1.00 1.53 C ATOM 0 H ILE A 714 39.932 -13.111 1.831 1.00 0.14 H new ATOM 0 HA ILE A 714 41.391 -15.533 1.614 1.00 0.15 H new ATOM 0 HB ILE A 714 41.501 -13.080 -0.163 1.00 0.20 H new ATOM 0 HG12 ILE A 714 39.690 -15.547 -0.296 1.00 0.90 H new ATOM 0 HG13 ILE A 714 39.167 -13.983 0.297 1.00 0.90 H new ATOM 0 HG21 ILE A 714 42.126 -14.722 -1.924 1.00 1.10 H new ATOM 0 HG22 ILE A 714 43.314 -14.716 -0.598 1.00 1.10 H new ATOM 0 HG23 ILE A 714 42.115 -16.026 -0.713 1.00 1.10 H new ATOM 0 HD11 ILE A 714 38.569 -14.257 -2.096 1.00 1.53 H new ATOM 0 HD12 ILE A 714 39.750 -12.941 -1.896 1.00 1.53 H new ATOM 0 HD13 ILE A 714 40.281 -14.530 -2.498 1.00 1.53 H new ATOM 460 N TRP A 715 43.027 -12.684 2.171 1.00 0.13 N ATOM 461 CA TRP A 715 44.330 -12.200 2.614 1.00 0.13 C ATOM 462 C TRP A 715 44.743 -13.036 3.818 1.00 0.13 C ATOM 463 O TRP A 715 45.831 -13.604 3.864 1.00 0.14 O ATOM 464 CB TRP A 715 44.254 -10.712 2.997 1.00 0.13 C ATOM 465 CG TRP A 715 45.607 -10.184 3.401 1.00 0.14 C ATOM 466 CD1 TRP A 715 46.795 -10.828 3.252 1.00 0.17 C ATOM 467 CD2 TRP A 715 45.923 -8.900 4.024 1.00 0.16 C ATOM 468 NE1 TRP A 715 47.807 -10.019 3.734 1.00 0.20 N ATOM 469 CE2 TRP A 715 47.322 -8.825 4.222 1.00 0.20 C ATOM 470 CE3 TRP A 715 45.139 -7.805 4.433 1.00 0.17 C ATOM 471 CZ2 TRP A 715 47.922 -7.705 4.800 1.00 0.25 C ATOM 472 CZ3 TRP A 715 45.740 -6.676 5.016 1.00 0.22 C ATOM 473 CH2 TRP A 715 47.129 -6.628 5.200 1.00 0.25 C ATOM 0 H TRP A 715 42.295 -11.980 2.074 1.00 0.13 H new ATOM 0 HA TRP A 715 45.062 -12.294 1.812 1.00 0.13 H new ATOM 0 HB2 TRP A 715 43.873 -10.136 2.154 1.00 0.13 H new ATOM 0 HB3 TRP A 715 43.549 -10.580 3.818 1.00 0.13 H new ATOM 0 HD1 TRP A 715 46.927 -11.812 2.826 1.00 0.17 H new ATOM 0 HE1 TRP A 715 48.794 -10.275 3.729 1.00 0.20 H new ATOM 0 HE3 TRP A 715 44.068 -7.832 4.298 1.00 0.17 H new ATOM 0 HZ2 TRP A 715 48.993 -7.672 4.937 1.00 0.25 H new ATOM 0 HZ3 TRP A 715 45.128 -5.841 5.324 1.00 0.22 H new ATOM 0 HH2 TRP A 715 47.585 -5.759 5.651 1.00 0.25 H new ATOM 484 N LYS A 716 43.841 -13.103 4.791 1.00 0.12 N ATOM 485 CA LYS A 716 44.093 -13.871 5.997 1.00 0.13 C ATOM 486 C LYS A 716 44.229 -15.359 5.650 1.00 0.12 C ATOM 487 O LYS A 716 45.090 -16.040 6.200 1.00 0.13 O ATOM 488 CB LYS A 716 42.953 -13.653 7.008 1.00 0.15 C ATOM 489 CG LYS A 716 43.220 -14.342 8.370 1.00 0.18 C ATOM 490 CD LYS A 716 44.154 -13.545 9.333 1.00 0.23 C ATOM 491 CE LYS A 716 45.626 -13.504 8.899 1.00 0.28 C ATOM 492 NZ LYS A 716 46.459 -13.069 10.059 1.00 0.35 N ATOM 0 H LYS A 716 42.934 -12.636 4.766 1.00 0.12 H new ATOM 0 HA LYS A 716 45.025 -13.533 6.449 1.00 0.13 H new ATOM 0 HB2 LYS A 716 42.814 -12.584 7.168 1.00 0.15 H new ATOM 0 HB3 LYS A 716 42.023 -14.036 6.588 1.00 0.15 H new ATOM 0 HG2 LYS A 716 42.266 -14.511 8.869 1.00 0.18 H new ATOM 0 HG3 LYS A 716 43.662 -15.321 8.186 1.00 0.18 H new ATOM 0 HD2 LYS A 716 43.784 -12.523 9.416 1.00 0.23 H new ATOM 0 HD3 LYS A 716 44.093 -13.987 10.327 1.00 0.23 H new ATOM 0 HE2 LYS A 716 45.945 -14.487 8.553 1.00 0.28 H new ATOM 0 HE3 LYS A 716 45.754 -12.816 8.064 1.00 0.28 H new ATOM 0 HZ1 LYS A 716 47.459 -13.038 9.776 1.00 0.35 H new ATOM 0 HZ2 LYS A 716 46.157 -12.123 10.368 1.00 0.35 H new ATOM 0 HZ3 LYS A 716 46.342 -13.743 10.842 1.00 0.35 H new ATOM 506 N LEU A 717 43.405 -15.862 4.715 1.00 0.13 N ATOM 507 CA LEU A 717 43.520 -17.270 4.321 1.00 0.14 C ATOM 508 C LEU A 717 44.929 -17.454 3.805 1.00 0.14 C ATOM 509 O LEU A 717 45.584 -18.437 4.148 1.00 0.15 O ATOM 510 CB LEU A 717 42.504 -17.618 3.222 1.00 0.19 C ATOM 511 CG LEU A 717 42.355 -19.144 3.075 1.00 1.04 C ATOM 512 CD1 LEU A 717 41.869 -19.784 4.394 1.00 1.45 C ATOM 513 CD2 LEU A 717 41.345 -19.430 1.955 1.00 1.77 C ATOM 0 H LEU A 717 42.677 -15.334 4.234 1.00 0.13 H new ATOM 0 HA LEU A 717 43.314 -17.926 5.166 1.00 0.14 H new ATOM 0 HB2 LEU A 717 41.537 -17.176 3.462 1.00 0.19 H new ATOM 0 HB3 LEU A 717 42.826 -17.187 2.274 1.00 0.19 H new ATOM 0 HG LEU A 717 43.326 -19.576 2.831 1.00 1.04 H new ATOM 0 HD11 LEU A 717 41.773 -20.862 4.262 1.00 1.45 H new ATOM 0 HD12 LEU A 717 42.590 -19.579 5.185 1.00 1.45 H new ATOM 0 HD13 LEU A 717 40.901 -19.364 4.667 1.00 1.45 H new ATOM 0 HD21 LEU A 717 41.227 -20.507 1.837 1.00 1.77 H new ATOM 0 HD22 LEU A 717 40.383 -18.986 2.210 1.00 1.77 H new ATOM 0 HD23 LEU A 717 41.706 -19.000 1.021 1.00 1.77 H new ATOM 525 N LEU A 718 45.410 -16.545 2.973 1.00 0.15 N ATOM 526 CA LEU A 718 46.748 -16.734 2.451 1.00 0.17 C ATOM 527 C LEU A 718 47.705 -16.946 3.612 1.00 0.16 C ATOM 528 O LEU A 718 48.393 -17.959 3.687 1.00 0.20 O ATOM 529 CB LEU A 718 47.195 -15.529 1.597 1.00 0.20 C ATOM 530 CG LEU A 718 46.473 -15.535 0.232 1.00 0.30 C ATOM 531 CD1 LEU A 718 46.653 -14.164 -0.443 1.00 0.68 C ATOM 532 CD2 LEU A 718 47.045 -16.651 -0.690 1.00 0.69 C ATOM 0 H LEU A 718 44.920 -15.708 2.658 1.00 0.15 H new ATOM 0 HA LEU A 718 46.753 -17.610 1.803 1.00 0.17 H new ATOM 0 HB2 LEU A 718 46.978 -14.601 2.126 1.00 0.20 H new ATOM 0 HB3 LEU A 718 48.274 -15.564 1.444 1.00 0.20 H new ATOM 0 HG LEU A 718 45.414 -15.733 0.396 1.00 0.30 H new ATOM 0 HD11 LEU A 718 46.145 -14.164 -1.407 1.00 0.68 H new ATOM 0 HD12 LEU A 718 46.227 -13.387 0.192 1.00 0.68 H new ATOM 0 HD13 LEU A 718 47.715 -13.969 -0.593 1.00 0.68 H new ATOM 0 HD21 LEU A 718 46.522 -16.637 -1.646 1.00 0.69 H new ATOM 0 HD22 LEU A 718 48.108 -16.477 -0.856 1.00 0.69 H new ATOM 0 HD23 LEU A 718 46.906 -17.622 -0.215 1.00 0.69 H new ATOM 544 N ILE A 719 47.716 -16.004 4.534 1.00 0.14 N ATOM 545 CA ILE A 719 48.584 -16.085 5.697 1.00 0.14 C ATOM 546 C ILE A 719 48.208 -17.144 6.732 1.00 0.14 C ATOM 547 O ILE A 719 49.100 -17.804 7.252 1.00 0.16 O ATOM 548 CB ILE A 719 48.675 -14.721 6.395 1.00 0.19 C ATOM 549 CG1 ILE A 719 49.133 -13.662 5.383 1.00 0.72 C ATOM 550 CG2 ILE A 719 49.703 -14.788 7.541 1.00 0.65 C ATOM 551 CD1 ILE A 719 49.064 -12.254 6.001 1.00 1.07 C ATOM 0 H ILE A 719 47.131 -15.169 4.502 1.00 0.14 H new ATOM 0 HA ILE A 719 49.547 -16.393 5.289 1.00 0.14 H new ATOM 0 HB ILE A 719 47.696 -14.459 6.795 1.00 0.19 H new ATOM 0 HG12 ILE A 719 50.153 -13.875 5.063 1.00 0.72 H new ATOM 0 HG13 ILE A 719 48.504 -13.706 4.494 1.00 0.72 H new ATOM 0 HG21 ILE A 719 49.763 -13.817 8.033 1.00 0.65 H new ATOM 0 HG22 ILE A 719 49.393 -15.542 8.264 1.00 0.65 H new ATOM 0 HG23 ILE A 719 50.681 -15.052 7.138 1.00 0.65 H new ATOM 0 HD11 ILE A 719 49.393 -11.518 5.267 1.00 1.07 H new ATOM 0 HD12 ILE A 719 48.038 -12.037 6.298 1.00 1.07 H new ATOM 0 HD13 ILE A 719 49.712 -12.209 6.876 1.00 1.07 H new