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 89:sc= 1.23 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.282 (180deg=-1.37) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.830 5.971 -0.677 1.00 1.00 N ATOM 132 CA LEU A 694 17.534 5.345 0.437 1.00 1.00 C ATOM 133 C LEU A 694 17.911 3.888 0.141 1.00 1.00 C ATOM 134 O LEU A 694 18.999 3.445 0.503 1.00 1.00 O ATOM 135 CB LEU A 694 16.660 5.421 1.697 1.00 1.00 C ATOM 136 CG LEU A 694 17.396 4.832 2.909 1.00 1.00 C ATOM 137 CD1 LEU A 694 18.687 5.613 3.180 1.00 1.00 C ATOM 138 CD2 LEU A 694 16.483 4.932 4.131 1.00 1.00 C ATOM 0 HA LEU A 694 18.465 5.889 0.594 1.00 1.00 H new ATOM 0 HB2 LEU A 694 16.393 6.459 1.897 1.00 1.00 H new ATOM 0 HB3 LEU A 694 15.729 4.878 1.532 1.00 1.00 H new ATOM 0 HG LEU A 694 17.650 3.792 2.706 1.00 1.00 H new ATOM 0 HD11 LEU A 694 19.198 5.184 4.042 1.00 1.00 H new ATOM 0 HD12 LEU A 694 19.337 5.555 2.307 1.00 1.00 H new ATOM 0 HD13 LEU A 694 18.445 6.656 3.384 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.992 4.517 5.001 1.00 1.00 H new ATOM 0 HD22 LEU A 694 16.239 5.978 4.318 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.566 4.373 3.947 1.00 1.00 H new ATOM 150 N VAL A 695 17.009 3.139 -0.497 1.00 1.00 N ATOM 151 CA VAL A 695 17.262 1.730 -0.810 1.00 1.00 C ATOM 152 C VAL A 695 18.460 1.575 -1.743 1.00 1.00 C ATOM 153 O VAL A 695 19.298 0.694 -1.548 1.00 1.00 O ATOM 154 CB VAL A 695 16.015 1.104 -1.447 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.336 -0.306 -1.961 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.900 1.019 -0.400 1.00 1.00 C ATOM 0 H VAL A 695 16.100 3.483 -0.806 1.00 1.00 H new ATOM 0 HA VAL A 695 17.492 1.212 0.121 1.00 1.00 H new ATOM 0 HB VAL A 695 15.693 1.724 -2.284 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.444 -0.741 -2.411 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.128 -0.250 -2.707 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.664 -0.930 -1.130 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.012 0.574 -0.849 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.231 0.402 0.435 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.662 2.020 -0.040 1.00 1.00 H new ATOM 166 N VAL A 696 18.544 2.439 -2.749 1.00 1.00 N ATOM 167 CA VAL A 696 19.659 2.379 -3.686 1.00 1.00 C ATOM 168 C VAL A 696 20.972 2.598 -2.944 1.00 1.00 C ATOM 169 O VAL A 696 21.939 1.855 -3.118 1.00 1.00 O ATOM 170 CB VAL A 696 19.503 3.459 -4.751 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.766 3.512 -5.610 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.301 3.135 -5.635 1.00 1.00 C ATOM 0 H VAL A 696 17.865 3.178 -2.935 1.00 1.00 H new ATOM 0 HA VAL A 696 19.665 1.397 -4.160 1.00 1.00 H new ATOM 0 HB VAL A 696 19.349 4.424 -4.269 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.656 4.284 -6.372 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.625 3.744 -4.980 1.00 1.00 H new ATOM 0 HG13 VAL A 696 20.919 2.546 -6.091 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.190 3.908 -6.396 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.454 2.170 -6.117 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.400 3.096 -5.023 1.00 1.00 H new ATOM 182 N LEU A 697 20.984 3.633 -2.113 1.00 1.00 N ATOM 183 CA LEU A 697 22.176 3.957 -1.340 1.00 1.00 C ATOM 184 C LEU A 697 22.533 2.823 -0.385 1.00 1.00 C ATOM 185 O LEU A 697 23.707 2.490 -0.219 1.00 1.00 O ATOM 186 CB LEU A 697 21.951 5.245 -0.538 1.00 1.00 C ATOM 187 CG LEU A 697 21.916 6.450 -1.487 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.509 7.707 -0.716 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.299 6.673 -2.109 1.00 1.00 C ATOM 0 H LEU A 697 20.191 4.256 -1.958 1.00 1.00 H new ATOM 0 HA LEU A 697 23.001 4.100 -2.038 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.015 5.180 0.016 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.747 5.371 0.195 1.00 1.00 H new ATOM 0 HG LEU A 697 21.191 6.250 -2.276 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.486 8.559 -1.395 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.520 7.563 -0.281 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.231 7.896 0.079 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.262 7.531 -2.781 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.027 6.861 -1.320 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.593 5.786 -2.670 1.00 1.00 H new ATOM 201 N LEU A 698 21.519 2.243 0.246 1.00 1.00 N ATOM 202 CA LEU A 698 21.741 1.154 1.195 1.00 1.00 C ATOM 203 C LEU A 698 22.373 -0.061 0.518 1.00 1.00 C ATOM 204 O LEU A 698 23.242 -0.719 1.090 1.00 1.00 O ATOM 205 CB LEU A 698 20.419 0.723 1.827 1.00 1.00 C ATOM 206 CG LEU A 698 20.007 1.697 2.935 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.597 1.338 3.404 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.975 1.604 4.125 1.00 1.00 C ATOM 0 H LEU A 698 20.541 2.505 0.121 1.00 1.00 H new ATOM 0 HA LEU A 698 22.421 1.528 1.960 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.642 0.682 1.064 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.517 -0.282 2.237 1.00 1.00 H new ATOM 0 HG LEU A 698 20.033 2.714 2.544 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.291 2.024 4.194 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.904 1.416 2.566 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.590 0.318 3.787 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.665 2.304 4.901 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.964 0.590 4.525 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.983 1.852 3.794 1.00 1.00 H new ATOM 220 N SER A 699 21.920 -0.350 -0.700 1.00 1.00 N ATOM 221 CA SER A 699 22.420 -1.484 -1.469 1.00 1.00 C ATOM 222 C SER A 699 23.893 -1.296 -1.810 1.00 1.00 C ATOM 223 O SER A 699 24.685 -2.237 -1.751 1.00 1.00 O ATOM 224 CB SER A 699 21.605 -1.619 -2.754 1.00 1.00 C ATOM 225 OG SER A 699 20.224 -1.685 -2.424 1.00 1.00 O ATOM 0 H SER A 699 21.200 0.192 -1.178 1.00 1.00 H new ATOM 0 HA SER A 699 22.319 -2.389 -0.870 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.795 -0.770 -3.410 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.905 -2.515 -3.297 1.00 1.00 H new ATOM 0 HG SER A 699 19.853 -0.779 -2.388 1.00 1.00 H new ATOM 231 N VAL A 700 24.241 -0.068 -2.170 1.00 1.00 N ATOM 232 CA VAL A 700 25.617 0.254 -2.528 1.00 1.00 C ATOM 233 C VAL A 700 26.557 0.042 -1.346 1.00 1.00 C ATOM 234 O VAL A 700 27.644 -0.517 -1.500 1.00 1.00 O ATOM 235 CB VAL A 700 25.697 1.712 -2.990 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.162 2.144 -3.079 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.046 1.848 -4.371 1.00 1.00 C ATOM 0 H VAL A 700 23.594 0.719 -2.222 1.00 1.00 H new ATOM 0 HA VAL A 700 25.926 -0.410 -3.335 1.00 1.00 H new ATOM 0 HB VAL A 700 25.173 2.345 -2.274 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.216 3.182 -3.408 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.629 2.049 -2.099 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.686 1.509 -3.794 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.103 2.886 -4.700 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.570 1.212 -5.085 1.00 1.00 H new ATOM 0 HG23 VAL A 700 24.001 1.543 -4.312 1.00 1.00 H new ATOM 247 N MET A 701 26.147 0.524 -0.174 1.00 1.00 N ATOM 248 CA MET A 701 26.978 0.414 1.023 1.00 1.00 C ATOM 249 C MET A 701 27.246 -1.040 1.395 1.00 1.00 C ATOM 250 O MET A 701 28.370 -1.396 1.755 1.00 1.00 O ATOM 251 CB MET A 701 26.290 1.107 2.203 1.00 1.00 C ATOM 252 CG MET A 701 26.443 2.625 2.085 1.00 1.00 C ATOM 253 SD MET A 701 25.516 3.430 3.419 1.00 1.00 S ATOM 254 CE MET A 701 26.466 2.769 4.813 1.00 1.00 C ATOM 0 H MET A 701 25.252 0.991 -0.028 1.00 1.00 H new ATOM 0 HA MET A 701 27.930 0.896 0.802 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.233 0.841 2.225 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.725 0.762 3.141 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.496 2.901 2.141 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.076 2.964 1.116 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.391 3.451 5.660 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.068 1.794 5.095 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.512 2.664 4.523 1.00 1.00 H new ATOM 264 N GLY A 702 26.221 -1.878 1.310 1.00 1.00 N ATOM 265 CA GLY A 702 26.377 -3.285 1.653 1.00 1.00 C ATOM 266 C GLY A 702 27.310 -4.000 0.682 1.00 1.00 C ATOM 267 O GLY A 702 28.168 -4.780 1.092 1.00 1.00 O ATOM 0 H GLY A 702 25.283 -1.612 1.010 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.770 -3.372 2.666 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.402 -3.772 1.646 1.00 1.00 H new ATOM 271 N ALA A 703 27.108 -3.754 -0.608 1.00 1.00 N ATOM 272 CA ALA A 703 27.905 -4.404 -1.645 1.00 1.00 C ATOM 273 C ALA A 703 29.403 -4.151 -1.481 1.00 1.00 C ATOM 274 O ALA A 703 30.205 -5.084 -1.514 1.00 1.00 O ATOM 275 CB ALA A 703 27.459 -3.906 -3.022 1.00 1.00 C ATOM 0 H ALA A 703 26.400 -3.110 -0.961 1.00 1.00 H new ATOM 0 HA ALA A 703 27.741 -5.477 -1.551 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.054 -4.392 -3.795 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.406 -4.144 -3.172 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.598 -2.827 -3.081 1.00 1.00 H new ATOM 281 N ILE A 704 29.768 -2.886 -1.307 1.00 1.00 N ATOM 282 CA ILE A 704 31.175 -2.528 -1.145 1.00 1.00 C ATOM 283 C ILE A 704 31.746 -3.150 0.125 1.00 1.00 C ATOM 284 O ILE A 704 32.867 -3.666 0.132 1.00 1.00 O ATOM 285 CB ILE A 704 31.319 -1.011 -1.073 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.942 -0.402 -2.422 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.771 -0.650 -0.747 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.790 1.108 -2.260 1.00 1.00 C ATOM 0 H ILE A 704 29.120 -2.099 -1.274 1.00 1.00 H new ATOM 0 HA ILE A 704 31.727 -2.909 -2.004 1.00 1.00 H new ATOM 0 HB ILE A 704 30.662 -0.621 -0.296 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.709 -0.626 -3.164 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.011 -0.837 -2.785 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.874 0.434 -0.696 1.00 1.00 H new ATOM 0 HG22 ILE A 704 33.048 -1.087 0.213 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.427 -1.040 -1.526 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.521 1.552 -3.219 1.00 1.00 H new ATOM 0 HD12 ILE A 704 30.008 1.319 -1.530 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.732 1.534 -1.915 1.00 1.00 H new ATOM 300 N LEU A 705 30.976 -3.082 1.206 1.00 1.00 N ATOM 301 CA LEU A 705 31.414 -3.623 2.487 1.00 1.00 C ATOM 302 C LEU A 705 31.593 -5.143 2.432 1.00 1.00 C ATOM 303 O LEU A 705 32.531 -5.681 3.018 1.00 1.00 O ATOM 304 CB LEU A 705 30.397 -3.273 3.582 1.00 1.00 C ATOM 305 CG LEU A 705 30.581 -1.816 4.039 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.425 -1.429 4.964 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.903 -1.651 4.802 1.00 1.00 C ATOM 0 H LEU A 705 30.048 -2.659 1.221 1.00 1.00 H new ATOM 0 HA LEU A 705 32.380 -3.174 2.717 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.384 -3.418 3.206 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.521 -3.945 4.431 1.00 1.00 H new ATOM 0 HG LEU A 705 30.596 -1.174 3.159 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.551 -0.397 5.291 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.481 -1.527 4.428 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.419 -2.087 5.833 1.00 1.00 H new ATOM 0 HD21 LEU A 705 32.014 -0.613 5.117 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.900 -2.298 5.679 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.735 -1.924 4.152 1.00 1.00 H new ATOM 319 N LEU A 706 30.679 -5.840 1.762 1.00 1.00 N ATOM 320 CA LEU A 706 30.746 -7.300 1.693 1.00 1.00 C ATOM 321 C LEU A 706 32.004 -7.817 0.993 1.00 1.00 C ATOM 322 O LEU A 706 32.634 -8.769 1.453 1.00 1.00 O ATOM 323 CB LEU A 706 29.514 -7.834 0.963 1.00 1.00 C ATOM 324 CG LEU A 706 28.322 -7.868 1.922 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.041 -8.075 1.115 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.481 -9.019 2.931 1.00 1.00 C ATOM 0 H LEU A 706 29.891 -5.425 1.264 1.00 1.00 H new ATOM 0 HA LEU A 706 30.780 -7.660 2.721 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.285 -7.202 0.105 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.712 -8.834 0.578 1.00 1.00 H new ATOM 0 HG LEU A 706 28.274 -6.926 2.468 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.186 -8.101 1.790 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.920 -7.255 0.407 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.102 -9.018 0.571 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.626 -9.031 3.607 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.534 -9.967 2.396 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.396 -8.875 3.506 1.00 1.00 H new ATOM 338 N ILE A 707 32.366 -7.188 -0.121 1.00 1.00 N ATOM 339 CA ILE A 707 33.553 -7.616 -0.855 1.00 1.00 C ATOM 340 C ILE A 707 34.814 -7.338 -0.042 1.00 1.00 C ATOM 341 O ILE A 707 35.783 -8.095 -0.105 1.00 1.00 O ATOM 342 CB ILE A 707 33.617 -6.926 -2.222 1.00 1.00 C ATOM 343 CG1 ILE A 707 34.884 -7.368 -2.954 1.00 1.00 C ATOM 344 CG2 ILE A 707 33.626 -5.408 -2.052 1.00 1.00 C ATOM 345 CD1 ILE A 707 34.801 -6.939 -4.420 1.00 1.00 C ATOM 0 H ILE A 707 31.867 -6.397 -0.529 1.00 1.00 H new ATOM 0 HA ILE A 707 33.489 -8.691 -1.022 1.00 1.00 H new ATOM 0 HB ILE A 707 32.739 -7.208 -2.803 1.00 1.00 H new ATOM 0 HG12 ILE A 707 35.762 -6.925 -2.483 1.00 1.00 H new ATOM 0 HG13 ILE A 707 34.997 -8.450 -2.886 1.00 1.00 H new ATOM 0 HG21 ILE A 707 33.672 -4.932 -3.032 1.00 1.00 H new ATOM 0 HG22 ILE A 707 32.717 -5.094 -1.538 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.495 -5.113 -1.465 1.00 1.00 H new ATOM 0 HD11 ILE A 707 35.704 -7.254 -4.943 1.00 1.00 H new ATOM 0 HD12 ILE A 707 33.932 -7.403 -4.886 1.00 1.00 H new ATOM 0 HD13 ILE A 707 34.708 -5.854 -4.477 1.00 1.00 H new ATOM 357 N GLY A 708 34.791 -6.257 0.735 1.00 1.00 N ATOM 358 CA GLY A 708 35.935 -5.911 1.567 1.00 1.00 C ATOM 359 C GLY A 708 36.212 -7.044 2.542 1.00 1.00 C ATOM 360 O GLY A 708 37.363 -7.412 2.787 1.00 1.00 O ATOM 0 H GLY A 708 34.002 -5.614 0.804 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.811 -5.731 0.944 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.736 -4.988 2.112 1.00 1.00 H new ATOM 364 N LEU A 709 35.138 -7.594 3.090 1.00 1.00 N ATOM 365 CA LEU A 709 35.252 -8.691 4.032 1.00 1.00 C ATOM 366 C LEU A 709 35.865 -9.905 3.345 1.00 1.00 C ATOM 367 O LEU A 709 36.777 -10.540 3.874 1.00 1.00 O ATOM 368 CB LEU A 709 33.863 -9.042 4.567 1.00 1.00 C ATOM 369 CG LEU A 709 33.964 -10.114 5.657 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.767 -9.578 6.846 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.555 -10.482 6.122 1.00 1.00 C ATOM 0 H LEU A 709 34.181 -7.297 2.897 1.00 1.00 H new ATOM 0 HA LEU A 709 35.896 -8.393 4.859 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.385 -8.149 4.970 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.233 -9.401 3.753 1.00 1.00 H new ATOM 0 HG LEU A 709 34.468 -10.993 5.256 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.834 -10.347 7.616 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.770 -9.307 6.515 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.270 -8.698 7.254 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.616 -11.245 6.898 1.00 1.00 H new ATOM 0 HD22 LEU A 709 32.061 -9.596 6.521 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.983 -10.868 5.278 1.00 1.00 H new ATOM 383 N ALA A 710 35.365 -10.213 2.154 1.00 1.00 N ATOM 384 CA ALA A 710 35.878 -11.344 1.395 1.00 1.00 C ATOM 385 C ALA A 710 37.354 -11.119 1.065 1.00 1.00 C ATOM 386 O ALA A 710 38.157 -12.053 1.105 1.00 1.00 O ATOM 387 CB ALA A 710 35.065 -11.507 0.108 1.00 1.00 C ATOM 0 H ALA A 710 34.611 -9.700 1.697 1.00 1.00 H new ATOM 0 HA ALA A 710 35.787 -12.253 1.990 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.449 -12.354 -0.460 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.019 -11.683 0.358 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.147 -10.600 -0.492 1.00 1.00 H new ATOM 393 N ALA A 711 37.705 -9.873 0.753 1.00 1.00 N ATOM 394 CA ALA A 711 39.093 -9.550 0.434 1.00 1.00 C ATOM 395 C ALA A 711 39.990 -9.792 1.641 1.00 1.00 C ATOM 396 O ALA A 711 41.071 -10.368 1.519 1.00 1.00 O ATOM 397 CB ALA A 711 39.210 -8.089 -0.001 1.00 1.00 C ATOM 0 H ALA A 711 37.060 -9.084 0.715 1.00 1.00 H new ATOM 0 HA ALA A 711 39.413 -10.197 -0.383 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.250 -7.861 -0.236 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.594 -7.922 -0.884 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.870 -7.441 0.807 1.00 1.00 H new ATOM 403 N LEU A 712 39.547 -9.328 2.806 1.00 1.00 N ATOM 404 CA LEU A 712 40.325 -9.479 4.030 1.00 1.00 C ATOM 405 C LEU A 712 40.517 -10.952 4.371 1.00 1.00 C ATOM 406 O LEU A 712 41.588 -11.361 4.818 1.00 1.00 O ATOM 407 CB LEU A 712 39.620 -8.766 5.196 1.00 1.00 C ATOM 408 CG LEU A 712 40.457 -8.894 6.483 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.814 -8.216 6.297 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.721 -8.219 7.642 1.00 1.00 C ATOM 0 H LEU A 712 38.656 -8.846 2.927 1.00 1.00 H new ATOM 0 HA LEU A 712 41.304 -9.028 3.869 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.473 -7.714 4.953 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.632 -9.198 5.352 1.00 1.00 H new ATOM 0 HG LEU A 712 40.606 -9.952 6.701 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.397 -8.312 7.213 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.348 -8.691 5.474 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.665 -7.160 6.071 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.314 -8.310 8.552 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.569 -7.164 7.412 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.754 -8.701 7.789 1.00 1.00 H new ATOM 422 N LEU A 713 39.458 -11.738 4.196 1.00 1.00 N ATOM 423 CA LEU A 713 39.511 -13.157 4.530 1.00 1.00 C ATOM 424 C LEU A 713 40.527 -13.925 3.690 1.00 1.00 C ATOM 425 O LEU A 713 41.293 -14.724 4.216 1.00 1.00 O ATOM 426 CB LEU A 713 38.125 -13.783 4.361 1.00 1.00 C ATOM 427 CG LEU A 713 37.180 -13.277 5.461 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.756 -13.754 5.162 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.618 -13.812 6.833 1.00 1.00 C ATOM 0 H LEU A 713 38.561 -11.420 3.828 1.00 1.00 H new ATOM 0 HA LEU A 713 39.833 -13.227 5.569 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.721 -13.532 3.380 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.200 -14.869 4.407 1.00 1.00 H new ATOM 0 HG LEU A 713 37.213 -12.188 5.481 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.082 -13.397 5.940 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.436 -13.362 4.197 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.735 -14.843 5.136 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.938 -13.444 7.601 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.598 -14.902 6.822 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.630 -13.470 7.051 1.00 1.00 H new ATOM 441 N ILE A 714 40.558 -13.655 2.390 1.00 1.00 N ATOM 442 CA ILE A 714 41.518 -14.318 1.514 1.00 1.00 C ATOM 443 C ILE A 714 42.927 -13.950 1.964 1.00 1.00 C ATOM 444 O ILE A 714 43.820 -14.794 2.020 1.00 1.00 O ATOM 445 CB ILE A 714 41.301 -13.870 0.061 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.946 -14.391 -0.461 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.436 -14.381 -0.830 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.886 -15.929 -0.436 1.00 1.00 C ATOM 0 H ILE A 714 39.939 -12.991 1.924 1.00 1.00 H new ATOM 0 HA ILE A 714 41.381 -15.398 1.569 1.00 1.00 H new ATOM 0 HB ILE A 714 41.296 -12.780 0.032 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.139 -13.984 0.149 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.786 -14.036 -1.479 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.268 -14.055 -1.856 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.386 -13.982 -0.474 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.464 -15.470 -0.795 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.918 -16.261 -0.810 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.677 -16.334 -1.067 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.020 -16.282 0.587 1.00 1.00 H new ATOM 460 N TRP A 715 43.105 -12.676 2.288 1.00 1.00 N ATOM 461 CA TRP A 715 44.420 -12.240 2.741 1.00 1.00 C ATOM 462 C TRP A 715 44.861 -13.102 3.931 1.00 1.00 C ATOM 463 O TRP A 715 45.981 -13.613 3.964 1.00 1.00 O ATOM 464 CB TRP A 715 44.361 -10.759 3.150 1.00 1.00 C ATOM 465 CG TRP A 715 45.718 -10.236 3.548 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.908 -10.875 3.392 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.030 -8.951 4.162 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.918 -10.066 3.883 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.429 -8.871 4.365 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.241 -7.858 4.564 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.021 -7.746 4.944 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.834 -6.725 5.143 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.222 -6.670 5.334 1.00 1.00 C ATOM 0 H TRP A 715 42.388 -11.952 2.249 1.00 1.00 H new ATOM 0 HA TRP A 715 45.142 -12.353 1.933 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.972 -10.168 2.321 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.666 -10.638 3.981 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.043 -11.854 2.956 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.905 -10.323 3.888 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.170 -7.891 4.426 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.091 -7.709 5.089 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.217 -5.891 5.443 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.672 -5.797 5.782 1.00 1.00 H new ATOM 484 N LYS A 716 43.967 -13.251 4.906 1.00 1.00 N ATOM 485 CA LYS A 716 44.263 -14.045 6.105 1.00 1.00 C ATOM 486 C LYS A 716 44.560 -15.507 5.738 1.00 1.00 C ATOM 487 O LYS A 716 45.494 -16.104 6.272 1.00 1.00 O ATOM 488 CB LYS A 716 43.054 -13.998 7.059 1.00 1.00 C ATOM 489 CG LYS A 716 43.323 -14.686 8.424 1.00 1.00 C ATOM 490 CD LYS A 716 44.072 -13.798 9.459 1.00 1.00 C ATOM 491 CE LYS A 716 45.552 -13.567 9.134 1.00 1.00 C ATOM 492 NZ LYS A 716 46.225 -13.029 10.353 1.00 1.00 N ATOM 0 H LYS A 716 43.035 -12.836 4.894 1.00 1.00 H new ATOM 0 HA LYS A 716 45.143 -13.623 6.589 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.777 -12.958 7.232 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.202 -14.479 6.579 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.371 -14.997 8.853 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.906 -15.591 8.252 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.571 -12.832 9.523 1.00 1.00 H new ATOM 0 HD3 LYS A 716 43.996 -14.262 10.442 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.022 -14.500 8.822 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.653 -12.867 8.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.232 -12.866 10.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.778 -12.132 10.629 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.135 -13.714 11.130 1.00 1.00 H new ATOM 506 N LEU A 717 43.763 -16.078 4.835 1.00 1.00 N ATOM 507 CA LEU A 717 43.966 -17.475 4.429 1.00 1.00 C ATOM 508 C LEU A 717 45.336 -17.634 3.772 1.00 1.00 C ATOM 509 O LEU A 717 45.994 -18.652 3.981 1.00 1.00 O ATOM 510 CB LEU A 717 42.852 -17.965 3.483 1.00 1.00 C ATOM 511 CG LEU A 717 41.670 -18.574 4.275 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.013 -20.005 4.709 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.348 -17.738 5.518 1.00 1.00 C ATOM 0 H LEU A 717 42.983 -15.608 4.376 1.00 1.00 H new ATOM 0 HA LEU A 717 43.924 -18.093 5.326 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.495 -17.133 2.876 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.256 -18.710 2.797 1.00 1.00 H new ATOM 0 HG LEU A 717 40.798 -18.581 3.621 1.00 1.00 H new ATOM 0 HD11 LEU A 717 41.176 -20.427 5.266 1.00 1.00 H new ATOM 0 HD12 LEU A 717 42.207 -20.616 3.827 1.00 1.00 H new ATOM 0 HD13 LEU A 717 42.900 -19.990 5.343 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.514 -18.190 6.054 1.00 1.00 H new ATOM 0 HD22 LEU A 717 42.221 -17.703 6.169 1.00 1.00 H new ATOM 0 HD23 LEU A 717 41.079 -16.726 5.216 1.00 1.00 H new ATOM 525 N LEU A 718 45.766 -16.670 2.963 1.00 1.00 N ATOM 526 CA LEU A 718 47.060 -16.810 2.292 1.00 1.00 C ATOM 527 C LEU A 718 48.208 -16.915 3.314 1.00 1.00 C ATOM 528 O LEU A 718 49.079 -17.779 3.200 1.00 1.00 O ATOM 529 CB LEU A 718 47.309 -15.608 1.362 1.00 1.00 C ATOM 530 CG LEU A 718 46.339 -15.631 0.166 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.403 -14.282 -0.560 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.712 -16.754 -0.821 1.00 1.00 C ATOM 0 H LEU A 718 45.259 -15.809 2.758 1.00 1.00 H new ATOM 0 HA LEU A 718 47.034 -17.727 1.704 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.184 -14.680 1.919 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.338 -15.628 1.002 1.00 1.00 H new ATOM 0 HG LEU A 718 45.331 -15.814 0.538 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.718 -14.292 -1.408 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.118 -13.485 0.127 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.418 -14.108 -0.916 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.013 -16.750 -1.657 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.723 -16.590 -1.193 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.664 -17.717 -0.312 1.00 1.00 H new ATOM 544 N ILE A 719 48.210 -16.003 4.289 1.00 1.00 N ATOM 545 CA ILE A 719 49.259 -15.949 5.320 1.00 1.00 C ATOM 546 C ILE A 719 49.211 -17.107 6.317 1.00 1.00 C ATOM 547 O ILE A 719 50.253 -17.656 6.676 1.00 1.00 O ATOM 548 CB ILE A 719 49.154 -14.639 6.092 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.478 -13.484 5.154 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.159 -14.640 7.248 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.985 -12.182 5.775 1.00 1.00 C ATOM 0 H ILE A 719 47.493 -15.285 4.389 1.00 1.00 H new ATOM 0 HA ILE A 719 50.206 -16.025 4.786 1.00 1.00 H new ATOM 0 HB ILE A 719 48.144 -14.530 6.488 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.552 -13.433 4.978 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.003 -13.642 4.186 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.082 -13.702 7.798 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.943 -15.472 7.918 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.169 -14.746 6.852 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.214 -11.351 5.108 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.907 -12.237 5.929 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.481 -12.025 6.733 1.00 1.00 H new