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 78:sc= 1.23 USER MOD Single : A 701 MET CE :methyl 153:sc= -0.17 (180deg=-1.17) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.034 5.783 -0.786 1.00 1.00 N ATOM 132 CA LEU A 694 17.687 5.147 0.359 1.00 1.00 C ATOM 133 C LEU A 694 18.132 3.721 0.044 1.00 1.00 C ATOM 134 O LEU A 694 19.220 3.302 0.437 1.00 1.00 O ATOM 135 CB LEU A 694 16.722 5.116 1.547 1.00 1.00 C ATOM 136 CG LEU A 694 16.488 6.539 2.062 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.350 6.528 3.081 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.755 7.085 2.736 1.00 1.00 C ATOM 0 HA LEU A 694 18.574 5.734 0.599 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.775 4.668 1.246 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.131 4.494 2.343 1.00 1.00 H new ATOM 0 HG LEU A 694 16.232 7.177 1.216 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.181 7.540 3.449 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.441 6.158 2.607 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.615 5.878 3.915 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.569 8.097 3.095 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.024 6.445 3.577 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.573 7.101 2.015 1.00 1.00 H new ATOM 150 N VAL A 695 17.278 2.978 -0.646 1.00 1.00 N ATOM 151 CA VAL A 695 17.579 1.594 -0.987 1.00 1.00 C ATOM 152 C VAL A 695 18.828 1.480 -1.846 1.00 1.00 C ATOM 153 O VAL A 695 19.656 0.594 -1.630 1.00 1.00 O ATOM 154 CB VAL A 695 16.400 0.966 -1.724 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.809 -0.408 -2.263 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.238 0.803 -0.748 1.00 1.00 C ATOM 0 H VAL A 695 16.373 3.309 -0.980 1.00 1.00 H new ATOM 0 HA VAL A 695 17.760 1.062 -0.053 1.00 1.00 H new ATOM 0 HB VAL A 695 16.100 1.605 -2.555 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.967 -0.858 -2.790 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.648 -0.294 -2.950 1.00 1.00 H new ATOM 0 HG13 VAL A 695 17.103 -1.051 -1.434 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.389 0.355 -1.264 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.543 0.158 0.076 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.951 1.779 -0.358 1.00 1.00 H new ATOM 166 N VAL A 696 18.969 2.377 -2.817 1.00 1.00 N ATOM 167 CA VAL A 696 20.138 2.339 -3.684 1.00 1.00 C ATOM 168 C VAL A 696 21.408 2.521 -2.864 1.00 1.00 C ATOM 169 O VAL A 696 22.359 1.749 -2.985 1.00 1.00 O ATOM 170 CB VAL A 696 20.054 3.455 -4.727 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.389 3.569 -5.468 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.944 3.133 -5.728 1.00 1.00 C ATOM 0 H VAL A 696 18.304 3.123 -3.020 1.00 1.00 H new ATOM 0 HA VAL A 696 20.164 1.371 -4.184 1.00 1.00 H new ATOM 0 HB VAL A 696 19.835 4.399 -4.229 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.326 4.365 -6.210 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.182 3.799 -4.756 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.611 2.625 -5.966 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.883 3.927 -6.472 1.00 1.00 H new ATOM 0 HG22 VAL A 696 19.164 2.188 -6.224 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.992 3.054 -5.203 1.00 1.00 H new ATOM 182 N LEU A 697 21.406 3.551 -2.027 1.00 1.00 N ATOM 183 CA LEU A 697 22.563 3.829 -1.190 1.00 1.00 C ATOM 184 C LEU A 697 22.804 2.686 -0.212 1.00 1.00 C ATOM 185 O LEU A 697 23.944 2.275 0.006 1.00 1.00 O ATOM 186 CB LEU A 697 22.342 5.125 -0.412 1.00 1.00 C ATOM 187 CG LEU A 697 22.371 6.325 -1.367 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.947 7.576 -0.601 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.783 6.533 -1.934 1.00 1.00 C ATOM 0 H LEU A 697 20.627 4.199 -1.911 1.00 1.00 H new ATOM 0 HA LEU A 697 23.437 3.933 -1.834 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.385 5.087 0.108 1.00 1.00 H new ATOM 0 HB3 LEU A 697 23.114 5.237 0.349 1.00 1.00 H new ATOM 0 HG LEU A 697 21.688 6.136 -2.195 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.964 8.436 -1.271 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.938 7.440 -0.211 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.636 7.747 0.226 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.782 7.389 -2.609 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.480 6.717 -1.116 1.00 1.00 H new ATOM 0 HD23 LEU A 697 24.091 5.641 -2.480 1.00 1.00 H new ATOM 201 N LEU A 698 21.725 2.169 0.373 1.00 1.00 N ATOM 202 CA LEU A 698 21.834 1.069 1.326 1.00 1.00 C ATOM 203 C LEU A 698 22.429 -0.171 0.654 1.00 1.00 C ATOM 204 O LEU A 698 23.272 -0.854 1.231 1.00 1.00 O ATOM 205 CB LEU A 698 20.448 0.738 1.907 1.00 1.00 C ATOM 206 CG LEU A 698 20.081 1.747 3.012 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.619 1.560 3.429 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.974 1.537 4.243 1.00 1.00 C ATOM 0 H LEU A 698 20.772 2.492 0.205 1.00 1.00 H new ATOM 0 HA LEU A 698 22.498 1.376 2.134 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.698 0.764 1.116 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.448 -0.274 2.313 1.00 1.00 H new ATOM 0 HG LEU A 698 20.229 2.753 2.619 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.369 2.278 4.210 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.971 1.721 2.567 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.475 0.548 3.806 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.704 2.257 5.016 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.835 0.525 4.625 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.018 1.680 3.964 1.00 1.00 H new ATOM 220 N SER A 699 21.996 -0.438 -0.580 1.00 1.00 N ATOM 221 CA SER A 699 22.491 -1.584 -1.345 1.00 1.00 C ATOM 222 C SER A 699 23.950 -1.398 -1.731 1.00 1.00 C ATOM 223 O SER A 699 24.738 -2.340 -1.681 1.00 1.00 O ATOM 224 CB SER A 699 21.664 -1.755 -2.616 1.00 1.00 C ATOM 225 OG SER A 699 20.292 -1.895 -2.269 1.00 1.00 O ATOM 0 H SER A 699 21.302 0.125 -1.072 1.00 1.00 H new ATOM 0 HA SER A 699 22.402 -2.469 -0.715 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.799 -0.894 -3.270 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.002 -2.631 -3.169 1.00 1.00 H new ATOM 0 HG SER A 699 19.918 -1.016 -2.052 1.00 1.00 H new ATOM 231 N VAL A 700 24.296 -0.179 -2.130 1.00 1.00 N ATOM 232 CA VAL A 700 25.660 0.115 -2.536 1.00 1.00 C ATOM 233 C VAL A 700 26.608 -0.094 -1.365 1.00 1.00 C ATOM 234 O VAL A 700 27.683 -0.678 -1.518 1.00 1.00 O ATOM 235 CB VAL A 700 25.760 1.559 -3.032 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.225 1.893 -3.326 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.934 1.734 -4.311 1.00 1.00 C ATOM 0 H VAL A 700 23.655 0.613 -2.180 1.00 1.00 H new ATOM 0 HA VAL A 700 25.939 -0.559 -3.346 1.00 1.00 H new ATOM 0 HB VAL A 700 25.374 2.228 -2.263 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.300 2.921 -3.680 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.814 1.778 -2.416 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.606 1.217 -4.092 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.012 2.765 -4.656 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.312 1.064 -5.083 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.890 1.498 -4.105 1.00 1.00 H new ATOM 247 N MET A 701 26.215 0.420 -0.205 1.00 1.00 N ATOM 248 CA MET A 701 27.042 0.324 0.986 1.00 1.00 C ATOM 249 C MET A 701 27.257 -1.121 1.412 1.00 1.00 C ATOM 250 O MET A 701 28.365 -1.503 1.784 1.00 1.00 O ATOM 251 CB MET A 701 26.384 1.099 2.126 1.00 1.00 C ATOM 252 CG MET A 701 26.529 2.596 1.857 1.00 1.00 C ATOM 253 SD MET A 701 25.757 3.530 3.201 1.00 1.00 S ATOM 254 CE MET A 701 26.936 3.081 4.503 1.00 1.00 C ATOM 0 H MET A 701 25.329 0.907 -0.067 1.00 1.00 H new ATOM 0 HA MET A 701 28.017 0.751 0.751 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.330 0.831 2.205 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.851 0.840 3.076 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.583 2.861 1.775 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.061 2.852 0.907 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.963 3.868 5.257 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.627 2.144 4.967 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.929 2.960 4.069 1.00 1.00 H new ATOM 264 N GLY A 702 26.201 -1.927 1.357 1.00 1.00 N ATOM 265 CA GLY A 702 26.314 -3.323 1.743 1.00 1.00 C ATOM 266 C GLY A 702 27.182 -4.092 0.754 1.00 1.00 C ATOM 267 O GLY A 702 28.040 -4.881 1.153 1.00 1.00 O ATOM 0 H GLY A 702 25.271 -1.640 1.053 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.744 -3.395 2.742 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.322 -3.773 1.789 1.00 1.00 H new ATOM 271 N ALA A 703 26.947 -3.870 -0.537 1.00 1.00 N ATOM 272 CA ALA A 703 27.707 -4.566 -1.570 1.00 1.00 C ATOM 273 C ALA A 703 29.195 -4.282 -1.447 1.00 1.00 C ATOM 274 O ALA A 703 30.020 -5.195 -1.527 1.00 1.00 O ATOM 275 CB ALA A 703 27.223 -4.135 -2.955 1.00 1.00 C ATOM 0 H ALA A 703 26.244 -3.221 -0.890 1.00 1.00 H new ATOM 0 HA ALA A 703 27.547 -5.636 -1.438 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.796 -4.659 -3.720 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.166 -4.378 -3.063 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.362 -3.060 -3.071 1.00 1.00 H new ATOM 281 N ILE A 704 29.532 -3.015 -1.238 1.00 1.00 N ATOM 282 CA ILE A 704 30.919 -2.616 -1.086 1.00 1.00 C ATOM 283 C ILE A 704 31.510 -3.233 0.176 1.00 1.00 C ATOM 284 O ILE A 704 32.634 -3.739 0.168 1.00 1.00 O ATOM 285 CB ILE A 704 31.000 -1.093 -1.003 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.643 -0.498 -2.374 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.412 -0.679 -0.586 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.478 1.022 -2.273 1.00 1.00 C ATOM 0 H ILE A 704 28.862 -2.249 -1.171 1.00 1.00 H new ATOM 0 HA ILE A 704 31.489 -2.967 -1.946 1.00 1.00 H new ATOM 0 HB ILE A 704 30.296 -0.719 -0.259 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.424 -0.738 -3.096 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.720 -0.946 -2.742 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.470 0.408 -0.527 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.644 -1.108 0.389 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.130 -1.041 -1.322 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.225 1.426 -3.253 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.680 1.255 -1.568 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.411 1.467 -1.926 1.00 1.00 H new ATOM 300 N LEU A 705 30.745 -3.171 1.262 1.00 1.00 N ATOM 301 CA LEU A 705 31.194 -3.705 2.541 1.00 1.00 C ATOM 302 C LEU A 705 31.371 -5.216 2.479 1.00 1.00 C ATOM 303 O LEU A 705 32.326 -5.751 3.031 1.00 1.00 O ATOM 304 CB LEU A 705 30.192 -3.340 3.643 1.00 1.00 C ATOM 305 CG LEU A 705 30.356 -1.859 4.025 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.158 -1.411 4.865 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.643 -1.651 4.837 1.00 1.00 C ATOM 0 H LEU A 705 29.813 -2.757 1.281 1.00 1.00 H new ATOM 0 HA LEU A 705 32.163 -3.261 2.770 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.175 -3.526 3.299 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.353 -3.971 4.517 1.00 1.00 H new ATOM 0 HG LEU A 705 30.413 -1.269 3.110 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.275 -0.362 5.135 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.242 -1.537 4.288 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.103 -2.015 5.771 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.742 -0.597 5.098 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.599 -2.248 5.748 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.503 -1.960 4.242 1.00 1.00 H new ATOM 319 N LEU A 706 30.453 -5.905 1.823 1.00 1.00 N ATOM 320 CA LEU A 706 30.531 -7.355 1.727 1.00 1.00 C ATOM 321 C LEU A 706 31.788 -7.815 0.989 1.00 1.00 C ATOM 322 O LEU A 706 32.458 -8.762 1.403 1.00 1.00 O ATOM 323 CB LEU A 706 29.297 -7.873 0.993 1.00 1.00 C ATOM 324 CG LEU A 706 28.100 -7.908 1.949 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.823 -8.101 1.137 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.232 -9.066 2.953 1.00 1.00 C ATOM 0 H LEU A 706 29.650 -5.489 1.352 1.00 1.00 H new ATOM 0 HA LEU A 706 30.576 -7.757 2.739 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.074 -7.232 0.140 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.489 -8.871 0.600 1.00 1.00 H new ATOM 0 HG LEU A 706 28.067 -6.969 2.501 1.00 1.00 H new ATOM 0 HD11 LEU A 706 25.965 -8.127 1.809 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.709 -7.274 0.436 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.881 -9.039 0.586 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.370 -9.069 3.620 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.277 -10.012 2.413 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.143 -8.939 3.538 1.00 1.00 H new ATOM 338 N ILE A 707 32.108 -7.112 -0.093 1.00 1.00 N ATOM 339 CA ILE A 707 33.296 -7.431 -0.881 1.00 1.00 C ATOM 340 C ILE A 707 34.550 -7.244 -0.037 1.00 1.00 C ATOM 341 O ILE A 707 35.474 -8.059 -0.071 1.00 1.00 O ATOM 342 CB ILE A 707 33.377 -6.512 -2.098 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.241 -6.841 -3.071 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.726 -6.709 -2.793 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.148 -5.746 -4.138 1.00 1.00 C ATOM 0 H ILE A 707 31.566 -6.322 -0.443 1.00 1.00 H new ATOM 0 HA ILE A 707 33.227 -8.469 -1.207 1.00 1.00 H new ATOM 0 HB ILE A 707 33.282 -5.475 -1.777 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.420 -7.808 -3.542 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.297 -6.919 -2.532 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.787 -6.054 -3.662 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.531 -6.467 -2.100 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.822 -7.747 -3.113 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.339 -5.980 -4.830 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.949 -4.787 -3.659 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.089 -5.690 -4.685 1.00 1.00 H new ATOM 357 N GLY A 708 34.574 -6.147 0.708 1.00 1.00 N ATOM 358 CA GLY A 708 35.717 -5.829 1.553 1.00 1.00 C ATOM 359 C GLY A 708 36.034 -6.976 2.512 1.00 1.00 C ATOM 360 O GLY A 708 37.196 -7.322 2.716 1.00 1.00 O ATOM 0 H GLY A 708 33.817 -5.464 0.744 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.587 -5.622 0.929 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.510 -4.923 2.122 1.00 1.00 H new ATOM 364 N LEU A 709 34.990 -7.554 3.101 1.00 1.00 N ATOM 365 CA LEU A 709 35.178 -8.660 4.044 1.00 1.00 C ATOM 366 C LEU A 709 35.799 -9.869 3.356 1.00 1.00 C ATOM 367 O LEU A 709 36.703 -10.504 3.894 1.00 1.00 O ATOM 368 CB LEU A 709 33.835 -9.071 4.655 1.00 1.00 C ATOM 369 CG LEU A 709 33.542 -8.277 5.941 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.410 -8.797 7.090 1.00 1.00 C ATOM 371 CD2 LEU A 709 33.831 -6.784 5.750 1.00 1.00 C ATOM 0 H LEU A 709 34.019 -7.283 2.948 1.00 1.00 H new ATOM 0 HA LEU A 709 35.851 -8.314 4.828 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.037 -8.904 3.932 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.845 -10.138 4.878 1.00 1.00 H new ATOM 0 HG LEU A 709 32.486 -8.410 6.175 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.195 -8.228 7.995 1.00 1.00 H new ATOM 0 HD12 LEU A 709 34.191 -9.851 7.263 1.00 1.00 H new ATOM 0 HD13 LEU A 709 35.463 -8.683 6.831 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.614 -6.250 6.675 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.880 -6.647 5.489 1.00 1.00 H new ATOM 0 HD23 LEU A 709 33.204 -6.392 4.949 1.00 1.00 H new ATOM 383 N ALA A 710 35.314 -10.184 2.165 1.00 1.00 N ATOM 384 CA ALA A 710 35.837 -11.319 1.422 1.00 1.00 C ATOM 385 C ALA A 710 37.307 -11.089 1.082 1.00 1.00 C ATOM 386 O ALA A 710 38.113 -12.021 1.090 1.00 1.00 O ATOM 387 CB ALA A 710 35.029 -11.518 0.141 1.00 1.00 C ATOM 0 H ALA A 710 34.565 -9.674 1.696 1.00 1.00 H new ATOM 0 HA ALA A 710 35.754 -12.215 2.037 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.426 -12.370 -0.411 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.985 -11.704 0.394 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.098 -10.622 -0.476 1.00 1.00 H new ATOM 393 N ALA A 711 37.644 -9.837 0.789 1.00 1.00 N ATOM 394 CA ALA A 711 39.019 -9.495 0.447 1.00 1.00 C ATOM 395 C ALA A 711 39.958 -9.748 1.628 1.00 1.00 C ATOM 396 O ALA A 711 41.014 -10.365 1.475 1.00 1.00 O ATOM 397 CB ALA A 711 39.098 -8.022 0.034 1.00 1.00 C ATOM 0 H ALA A 711 36.993 -9.052 0.781 1.00 1.00 H new ATOM 0 HA ALA A 711 39.332 -10.128 -0.383 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.127 -7.770 -0.221 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.458 -7.852 -0.832 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.765 -7.394 0.860 1.00 1.00 H new ATOM 403 N LEU A 712 39.571 -9.264 2.807 1.00 1.00 N ATOM 404 CA LEU A 712 40.387 -9.426 4.009 1.00 1.00 C ATOM 405 C LEU A 712 40.533 -10.895 4.412 1.00 1.00 C ATOM 406 O LEU A 712 41.596 -11.325 4.857 1.00 1.00 O ATOM 407 CB LEU A 712 39.798 -8.614 5.174 1.00 1.00 C ATOM 408 CG LEU A 712 40.401 -7.195 5.200 1.00 1.00 C ATOM 409 CD1 LEU A 712 40.043 -6.428 3.924 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.848 -6.432 6.405 1.00 1.00 C ATOM 0 H LEU A 712 38.698 -8.757 2.956 1.00 1.00 H new ATOM 0 HA LEU A 712 41.382 -9.048 3.775 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.714 -8.554 5.072 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.002 -9.120 6.118 1.00 1.00 H new ATOM 0 HG LEU A 712 41.485 -7.282 5.269 1.00 1.00 H new ATOM 0 HD11 LEU A 712 40.479 -5.430 3.965 1.00 1.00 H new ATOM 0 HD12 LEU A 712 40.435 -6.960 3.057 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.959 -6.347 3.840 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.273 -5.428 6.426 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.763 -6.365 6.327 1.00 1.00 H new ATOM 0 HD23 LEU A 712 40.114 -6.958 7.322 1.00 1.00 H new ATOM 422 N LEU A 713 39.454 -11.653 4.275 1.00 1.00 N ATOM 423 CA LEU A 713 39.467 -13.063 4.652 1.00 1.00 C ATOM 424 C LEU A 713 40.466 -13.865 3.827 1.00 1.00 C ATOM 425 O LEU A 713 41.209 -14.689 4.360 1.00 1.00 O ATOM 426 CB LEU A 713 38.067 -13.637 4.466 1.00 1.00 C ATOM 427 CG LEU A 713 37.143 -13.051 5.535 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.695 -13.367 5.171 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.461 -13.647 6.913 1.00 1.00 C ATOM 0 H LEU A 713 38.563 -11.320 3.908 1.00 1.00 H new ATOM 0 HA LEU A 713 39.774 -13.135 5.695 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.691 -13.398 3.471 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.092 -14.724 4.545 1.00 1.00 H new ATOM 0 HG LEU A 713 37.295 -11.972 5.578 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.030 -12.952 5.929 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.459 -12.927 4.202 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.560 -14.447 5.122 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.792 -13.217 7.659 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.323 -14.728 6.883 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.494 -13.420 7.178 1.00 1.00 H new ATOM 441 N ILE A 714 40.499 -13.598 2.527 1.00 1.00 N ATOM 442 CA ILE A 714 41.436 -14.282 1.645 1.00 1.00 C ATOM 443 C ILE A 714 42.860 -13.924 2.061 1.00 1.00 C ATOM 444 O ILE A 714 43.740 -14.779 2.114 1.00 1.00 O ATOM 445 CB ILE A 714 41.198 -13.853 0.198 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.843 -14.382 -0.274 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.305 -14.420 -0.694 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.488 -13.751 -1.623 1.00 1.00 C ATOM 0 H ILE A 714 39.894 -12.920 2.064 1.00 1.00 H new ATOM 0 HA ILE A 714 41.289 -15.359 1.721 1.00 1.00 H new ATOM 0 HB ILE A 714 41.206 -12.765 0.137 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.877 -15.468 -0.366 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.074 -14.149 0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.134 -14.113 -1.726 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.271 -14.043 -0.359 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.299 -15.508 -0.633 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.522 -14.129 -1.958 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.436 -12.668 -1.516 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.252 -14.007 -2.357 1.00 1.00 H new ATOM 460 N TRP A 715 43.063 -12.646 2.354 1.00 1.00 N ATOM 461 CA TRP A 715 44.397 -12.217 2.766 1.00 1.00 C ATOM 462 C TRP A 715 44.854 -13.076 3.944 1.00 1.00 C ATOM 463 O TRP A 715 45.975 -13.585 3.963 1.00 1.00 O ATOM 464 CB TRP A 715 44.373 -10.734 3.163 1.00 1.00 C ATOM 465 CG TRP A 715 45.746 -10.222 3.513 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.931 -10.863 3.316 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.080 -8.944 4.128 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.958 -10.053 3.773 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.484 -8.863 4.284 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.300 -7.857 4.567 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.094 -7.737 4.849 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.909 -6.726 5.135 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.300 -6.669 5.277 1.00 1.00 C ATOM 0 H TRP A 715 42.355 -11.913 2.318 1.00 1.00 H new ATOM 0 HA TRP A 715 45.095 -12.339 1.938 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.965 -10.145 2.342 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.707 -10.597 4.015 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.051 -11.842 2.876 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.945 -10.306 3.736 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.225 -7.893 4.466 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.168 -7.694 4.953 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.301 -5.896 5.464 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.761 -5.798 5.718 1.00 1.00 H new ATOM 484 N LYS A 716 43.970 -13.239 4.924 1.00 1.00 N ATOM 485 CA LYS A 716 44.284 -14.046 6.103 1.00 1.00 C ATOM 486 C LYS A 716 44.558 -15.499 5.708 1.00 1.00 C ATOM 487 O LYS A 716 45.477 -16.131 6.230 1.00 1.00 O ATOM 488 CB LYS A 716 43.108 -13.988 7.094 1.00 1.00 C ATOM 489 CG LYS A 716 43.356 -14.810 8.389 1.00 1.00 C ATOM 490 CD LYS A 716 44.246 -14.097 9.447 1.00 1.00 C ATOM 491 CE LYS A 716 45.730 -14.002 9.063 1.00 1.00 C ATOM 492 NZ LYS A 716 46.521 -13.650 10.278 1.00 1.00 N ATOM 0 H LYS A 716 43.037 -12.827 4.928 1.00 1.00 H new ATOM 0 HA LYS A 716 45.180 -13.642 6.574 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.919 -12.949 7.362 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.209 -14.359 6.603 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.394 -15.047 8.843 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.823 -15.757 8.119 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.860 -13.091 9.611 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.161 -14.629 10.394 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.074 -14.950 8.651 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.872 -13.248 8.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.529 -13.583 10.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.195 -12.736 10.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.391 -14.386 11.002 1.00 1.00 H new ATOM 506 N LEU A 717 43.756 -16.025 4.788 1.00 1.00 N ATOM 507 CA LEU A 717 43.929 -17.404 4.342 1.00 1.00 C ATOM 508 C LEU A 717 45.305 -17.580 3.693 1.00 1.00 C ATOM 509 O LEU A 717 45.961 -18.599 3.910 1.00 1.00 O ATOM 510 CB LEU A 717 42.824 -17.773 3.350 1.00 1.00 C ATOM 511 CG LEU A 717 41.480 -17.904 4.084 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.355 -17.997 3.054 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.462 -19.168 4.963 1.00 1.00 C ATOM 0 H LEU A 717 42.988 -15.525 4.341 1.00 1.00 H new ATOM 0 HA LEU A 717 43.864 -18.067 5.205 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.751 -17.011 2.574 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.069 -18.712 2.853 1.00 1.00 H new ATOM 0 HG LEU A 717 41.341 -17.030 4.721 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.398 -18.090 3.568 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.350 -17.098 2.438 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.513 -18.870 2.420 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.502 -19.242 5.474 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.609 -20.048 4.337 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.262 -19.109 5.701 1.00 1.00 H new ATOM 525 N LEU A 718 45.737 -16.618 2.882 1.00 1.00 N ATOM 526 CA LEU A 718 47.029 -16.747 2.202 1.00 1.00 C ATOM 527 C LEU A 718 48.183 -16.855 3.190 1.00 1.00 C ATOM 528 O LEU A 718 49.037 -17.731 3.075 1.00 1.00 O ATOM 529 CB LEU A 718 47.268 -15.537 1.295 1.00 1.00 C ATOM 530 CG LEU A 718 46.272 -15.547 0.131 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.426 -14.254 -0.667 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.535 -16.747 -0.790 1.00 1.00 C ATOM 0 H LEU A 718 45.227 -15.758 2.680 1.00 1.00 H new ATOM 0 HA LEU A 718 46.992 -17.663 1.612 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.160 -14.616 1.868 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.288 -15.556 0.911 1.00 1.00 H new ATOM 0 HG LEU A 718 45.260 -15.626 0.529 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.720 -14.253 -1.498 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.225 -13.401 -0.019 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.443 -14.184 -1.054 1.00 1.00 H new ATOM 0 HD21 LEU A 718 45.819 -16.739 -1.612 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.547 -16.684 -1.190 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.426 -17.672 -0.223 1.00 1.00 H new ATOM 544 N ILE A 719 48.212 -15.935 4.145 1.00 1.00 N ATOM 545 CA ILE A 719 49.282 -15.914 5.131 1.00 1.00 C ATOM 546 C ILE A 719 49.135 -17.017 6.175 1.00 1.00 C ATOM 547 O ILE A 719 50.129 -17.603 6.601 1.00 1.00 O ATOM 548 CB ILE A 719 49.338 -14.556 5.829 1.00 1.00 C ATOM 549 CG1 ILE A 719 50.600 -14.497 6.695 1.00 1.00 C ATOM 550 CG2 ILE A 719 48.095 -14.369 6.701 1.00 1.00 C ATOM 551 CD1 ILE A 719 50.766 -13.092 7.276 1.00 1.00 C ATOM 0 H ILE A 719 47.514 -15.200 4.257 1.00 1.00 H new ATOM 0 HA ILE A 719 50.211 -16.091 4.589 1.00 1.00 H new ATOM 0 HB ILE A 719 49.366 -13.759 5.086 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.533 -15.228 7.501 1.00 1.00 H new ATOM 0 HG13 ILE A 719 51.474 -14.759 6.098 1.00 1.00 H new ATOM 0 HG21 ILE A 719 48.140 -13.399 7.196 1.00 1.00 H new ATOM 0 HG22 ILE A 719 47.202 -14.416 6.077 1.00 1.00 H new ATOM 0 HG23 ILE A 719 48.055 -15.158 7.452 1.00 1.00 H new ATOM 0 HD11 ILE A 719 51.665 -13.056 7.891 1.00 1.00 H new ATOM 0 HD12 ILE A 719 50.853 -12.370 6.464 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.898 -12.846 7.888 1.00 1.00 H new