USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.3 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -168:sc= -1.06! USER MOD Single : A 59 THR OG1 : rot 79:sc= 0.925 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 141:sc= -1.4 (180deg=-3.93!) USER MOD Single : A 90 MET CE :methyl -155:sc= 0 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -30.522 2.156 17.420 1.00 0.00 N ATOM 103 CA TYR A 8 -29.540 2.649 16.469 1.00 0.00 C ATOM 104 C TYR A 8 -28.360 1.682 16.350 1.00 0.00 C ATOM 105 O TYR A 8 -27.937 1.346 15.245 1.00 0.00 O ATOM 106 CB TYR A 8 -29.039 3.980 17.032 1.00 0.00 C ATOM 107 CG TYR A 8 -28.496 4.939 15.971 1.00 0.00 C ATOM 108 CD1 TYR A 8 -27.172 4.868 15.590 1.00 0.00 C ATOM 109 CD2 TYR A 8 -29.331 5.875 15.395 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.661 5.771 14.591 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.820 6.778 14.397 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.510 6.682 14.044 1.00 0.00 C ATOM 113 OH TYR A 8 -27.027 7.534 13.101 1.00 0.00 O ATOM 0 HA TYR A 8 -29.983 2.755 15.479 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -29.855 4.468 17.564 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -28.255 3.782 17.763 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.519 4.135 16.041 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -30.368 5.930 15.693 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -25.627 5.726 14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.463 7.515 13.939 1.00 0.00 H new ATOM 0 HH TYR A 8 -27.745 8.128 12.798 1.00 0.00 H new ATOM 123 N ALA A 9 -27.862 1.262 17.504 1.00 0.00 N ATOM 124 CA ALA A 9 -26.738 0.341 17.543 1.00 0.00 C ATOM 125 C ALA A 9 -27.201 -1.040 17.074 1.00 0.00 C ATOM 126 O ALA A 9 -26.396 -1.839 16.597 1.00 0.00 O ATOM 127 CB ALA A 9 -26.151 0.311 18.955 1.00 0.00 C ATOM 0 H ALA A 9 -28.216 1.542 18.419 1.00 0.00 H new ATOM 0 HA ALA A 9 -25.947 0.671 16.869 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -25.308 -0.380 18.984 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -25.811 1.310 19.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.915 -0.019 19.660 1.00 0.00 H new ATOM 133 N ALA A 10 -28.495 -1.279 17.228 1.00 0.00 N ATOM 134 CA ALA A 10 -29.074 -2.550 16.826 1.00 0.00 C ATOM 135 C ALA A 10 -28.952 -2.704 15.309 1.00 0.00 C ATOM 136 O ALA A 10 -28.325 -3.646 14.825 1.00 0.00 O ATOM 137 CB ALA A 10 -30.525 -2.624 17.305 1.00 0.00 C ATOM 0 H ALA A 10 -29.159 -0.614 17.625 1.00 0.00 H new ATOM 0 HA ALA A 10 -28.536 -3.379 17.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -30.959 -3.577 17.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -30.554 -2.539 18.391 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -31.096 -1.808 16.862 1.00 0.00 H new ATOM 143 N LEU A 11 -29.562 -1.766 14.600 1.00 0.00 N ATOM 144 CA LEU A 11 -29.530 -1.786 13.147 1.00 0.00 C ATOM 145 C LEU A 11 -28.078 -1.695 12.672 1.00 0.00 C ATOM 146 O LEU A 11 -27.681 -2.395 11.742 1.00 0.00 O ATOM 147 CB LEU A 11 -30.434 -0.691 12.576 1.00 0.00 C ATOM 148 CG LEU A 11 -29.893 0.738 12.663 1.00 0.00 C ATOM 149 CD1 LEU A 11 -29.050 1.080 11.434 1.00 0.00 C ATOM 150 CD2 LEU A 11 -31.028 1.741 12.877 1.00 0.00 C ATOM 0 H LEU A 11 -30.082 -0.987 15.004 1.00 0.00 H new ATOM 0 HA LEU A 11 -29.931 -2.727 12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -30.632 -0.920 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -31.391 -0.729 13.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -29.237 0.804 13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -28.678 2.101 11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -28.208 0.391 11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -29.663 0.992 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -30.617 2.749 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -31.728 1.682 12.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -31.550 1.508 13.805 1.00 0.00 H new ATOM 162 N VAL A 12 -27.327 -0.826 13.332 1.00 0.00 N ATOM 163 CA VAL A 12 -25.928 -0.634 12.989 1.00 0.00 C ATOM 164 C VAL A 12 -25.217 -1.989 12.987 1.00 0.00 C ATOM 165 O VAL A 12 -24.563 -2.350 12.009 1.00 0.00 O ATOM 166 CB VAL A 12 -25.288 0.374 13.945 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.771 0.185 14.006 1.00 0.00 C ATOM 168 CG2 VAL A 12 -25.646 1.808 13.550 1.00 0.00 C ATOM 0 H VAL A 12 -27.661 -0.247 14.103 1.00 0.00 H new ATOM 0 HA VAL A 12 -25.835 -0.216 11.987 1.00 0.00 H new ATOM 0 HB VAL A 12 -25.689 0.191 14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.341 0.914 14.693 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -23.544 -0.822 14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.346 0.328 13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -25.178 2.505 14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -25.287 2.008 12.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -26.728 1.935 13.582 1.00 0.00 H new ATOM 178 N THR A 13 -25.370 -2.704 14.092 1.00 0.00 N ATOM 179 CA THR A 13 -24.752 -4.011 14.230 1.00 0.00 C ATOM 180 C THR A 13 -25.291 -4.971 13.167 1.00 0.00 C ATOM 181 O THR A 13 -24.559 -5.823 12.666 1.00 0.00 O ATOM 182 CB THR A 13 -24.985 -4.497 15.662 1.00 0.00 C ATOM 183 OG1 THR A 13 -24.109 -3.694 16.448 1.00 0.00 O ATOM 184 CG2 THR A 13 -24.483 -5.925 15.885 1.00 0.00 C ATOM 0 H THR A 13 -25.914 -2.402 14.901 1.00 0.00 H new ATOM 0 HA THR A 13 -23.676 -3.959 14.061 1.00 0.00 H new ATOM 0 HB THR A 13 -26.049 -4.446 15.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 -24.578 -2.883 16.736 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.673 -6.220 16.917 1.00 0.00 H new ATOM 0 HG22 THR A 13 -25.006 -6.604 15.211 1.00 0.00 H new ATOM 0 HG23 THR A 13 -23.412 -5.970 15.686 1.00 0.00 H new ATOM 192 N PHE A 14 -26.567 -4.801 12.855 1.00 0.00 N ATOM 193 CA PHE A 14 -27.213 -5.641 11.861 1.00 0.00 C ATOM 194 C PHE A 14 -26.553 -5.476 10.491 1.00 0.00 C ATOM 195 O PHE A 14 -26.169 -6.459 9.860 1.00 0.00 O ATOM 196 CB PHE A 14 -28.671 -5.187 11.771 1.00 0.00 C ATOM 197 CG PHE A 14 -29.614 -6.234 11.174 1.00 0.00 C ATOM 198 CD1 PHE A 14 -30.097 -7.238 11.955 1.00 0.00 C ATOM 199 CD2 PHE A 14 -29.968 -6.162 9.863 1.00 0.00 C ATOM 200 CE1 PHE A 14 -30.971 -8.210 11.402 1.00 0.00 C ATOM 201 CE2 PHE A 14 -30.843 -7.135 9.310 1.00 0.00 C ATOM 202 CZ PHE A 14 -31.326 -8.138 10.091 1.00 0.00 C ATOM 0 H PHE A 14 -27.171 -4.094 13.273 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.131 -6.689 12.149 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -29.021 -4.925 12.769 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.722 -4.281 11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -29.815 -7.295 12.996 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -29.584 -5.366 9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -31.354 -9.007 12.022 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -31.125 -7.078 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 -31.991 -8.877 9.670 1.00 0.00 H new ATOM 212 N GLY A 15 -26.442 -4.224 10.071 1.00 0.00 N ATOM 213 CA GLY A 15 -25.836 -3.917 8.787 1.00 0.00 C ATOM 214 C GLY A 15 -24.331 -4.191 8.811 1.00 0.00 C ATOM 215 O GLY A 15 -23.721 -4.425 7.769 1.00 0.00 O ATOM 0 H GLY A 15 -26.762 -3.411 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -26.306 -4.516 8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -26.015 -2.871 8.537 1.00 0.00 H new ATOM 219 N SER A 16 -23.775 -4.154 10.013 1.00 0.00 N ATOM 220 CA SER A 16 -22.352 -4.395 10.188 1.00 0.00 C ATOM 221 C SER A 16 -22.039 -5.873 9.942 1.00 0.00 C ATOM 222 O SER A 16 -21.128 -6.199 9.181 1.00 0.00 O ATOM 223 CB SER A 16 -21.891 -3.981 11.586 1.00 0.00 C ATOM 224 OG SER A 16 -20.847 -3.012 11.538 1.00 0.00 O ATOM 0 H SER A 16 -24.284 -3.961 10.876 1.00 0.00 H new ATOM 0 HA SER A 16 -21.810 -3.789 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.737 -3.576 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.545 -4.860 12.129 1.00 0.00 H new ATOM 0 HG SER A 16 -20.581 -2.772 12.450 1.00 0.00 H new ATOM 230 N ILE A 17 -22.810 -6.726 10.599 1.00 0.00 N ATOM 231 CA ILE A 17 -22.626 -8.161 10.461 1.00 0.00 C ATOM 232 C ILE A 17 -23.048 -8.592 9.055 1.00 0.00 C ATOM 233 O ILE A 17 -22.256 -9.177 8.317 1.00 0.00 O ATOM 234 CB ILE A 17 -23.359 -8.905 11.578 1.00 0.00 C ATOM 235 CG1 ILE A 17 -22.905 -8.414 12.954 1.00 0.00 C ATOM 236 CG2 ILE A 17 -23.197 -10.419 11.427 1.00 0.00 C ATOM 237 CD1 ILE A 17 -21.562 -9.036 13.342 1.00 0.00 C ATOM 0 H ILE A 17 -23.564 -6.451 11.229 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.574 -8.423 10.573 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.423 -8.685 11.493 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -22.818 -7.328 12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -23.657 -8.668 13.701 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.728 -10.924 12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.608 -10.735 10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.139 -10.678 11.471 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.262 -8.671 14.324 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -21.659 -10.121 13.373 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -20.807 -8.760 12.606 1.00 0.00 H new ATOM 249 N PHE A 18 -24.294 -8.285 8.725 1.00 0.00 N ATOM 250 CA PHE A 18 -24.830 -8.634 7.421 1.00 0.00 C ATOM 251 C PHE A 18 -23.941 -8.093 6.300 1.00 0.00 C ATOM 252 O PHE A 18 -23.745 -8.756 5.283 1.00 0.00 O ATOM 253 CB PHE A 18 -26.212 -7.985 7.317 1.00 0.00 C ATOM 254 CG PHE A 18 -27.132 -8.640 6.286 1.00 0.00 C ATOM 255 CD1 PHE A 18 -27.530 -9.930 6.452 1.00 0.00 C ATOM 256 CD2 PHE A 18 -27.552 -7.934 5.202 1.00 0.00 C ATOM 257 CE1 PHE A 18 -28.385 -10.539 5.495 1.00 0.00 C ATOM 258 CE2 PHE A 18 -28.406 -8.542 4.245 1.00 0.00 C ATOM 259 CZ PHE A 18 -28.804 -9.832 4.412 1.00 0.00 C ATOM 0 H PHE A 18 -24.948 -7.798 9.339 1.00 0.00 H new ATOM 0 HA PHE A 18 -24.880 -9.718 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -26.694 -8.022 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -26.089 -6.932 7.062 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -27.196 -10.492 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -27.235 -6.910 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -28.702 -11.563 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -28.740 -7.981 3.385 1.00 0.00 H new ATOM 0 HZ PHE A 18 -29.453 -10.295 3.684 1.00 0.00 H new ATOM 441 N ILE A 30 -5.848 -7.116 -9.361 1.00 0.00 N ATOM 442 CA ILE A 30 -6.684 -6.459 -8.370 1.00 0.00 C ATOM 443 C ILE A 30 -5.801 -5.911 -7.247 1.00 0.00 C ATOM 444 O ILE A 30 -6.144 -4.914 -6.613 1.00 0.00 O ATOM 445 CB ILE A 30 -7.782 -7.406 -7.883 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.806 -6.661 -7.023 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.184 -8.608 -7.150 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.268 -5.375 -7.711 1.00 0.00 C ATOM 0 HA ILE A 30 -7.202 -5.608 -8.812 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.312 -7.792 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.665 -7.305 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.367 -6.422 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.986 -9.265 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.525 -9.155 -7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.614 -8.262 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.995 -4.865 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.411 -4.723 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.728 -5.620 -8.668 1.00 0.00 H new ATOM 460 N ALA A 31 -4.681 -6.587 -7.034 1.00 0.00 N ATOM 461 CA ALA A 31 -3.747 -6.181 -5.998 1.00 0.00 C ATOM 462 C ALA A 31 -3.175 -4.805 -6.345 1.00 0.00 C ATOM 463 O ALA A 31 -3.097 -3.927 -5.487 1.00 0.00 O ATOM 464 CB ALA A 31 -2.657 -7.244 -5.848 1.00 0.00 C ATOM 0 H ALA A 31 -4.400 -7.413 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.253 -6.095 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.956 -6.939 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.112 -8.196 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.125 -7.355 -6.793 1.00 0.00 H new ATOM 470 N GLY A 32 -2.790 -4.659 -7.604 1.00 0.00 N ATOM 471 CA GLY A 32 -2.227 -3.405 -8.075 1.00 0.00 C ATOM 472 C GLY A 32 -3.261 -2.280 -8.004 1.00 0.00 C ATOM 473 O GLY A 32 -3.025 -1.255 -7.366 1.00 0.00 O ATOM 0 H GLY A 32 -2.857 -5.389 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.357 -3.143 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.880 -3.521 -9.102 1.00 0.00 H new ATOM 477 N LEU A 33 -4.385 -2.509 -8.668 1.00 0.00 N ATOM 478 CA LEU A 33 -5.455 -1.527 -8.688 1.00 0.00 C ATOM 479 C LEU A 33 -5.683 -0.998 -7.270 1.00 0.00 C ATOM 480 O LEU A 33 -5.669 0.212 -7.045 1.00 0.00 O ATOM 481 CB LEU A 33 -6.711 -2.116 -9.333 1.00 0.00 C ATOM 482 CG LEU A 33 -7.925 -1.188 -9.408 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.238 -0.810 -10.857 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.134 -1.810 -8.705 1.00 0.00 C ATOM 0 H LEU A 33 -4.577 -3.360 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.177 -0.674 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.460 -2.436 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.996 -3.010 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.683 -0.266 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.105 -0.150 -10.882 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.380 -0.298 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.452 -1.712 -11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.984 -1.130 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.387 -2.756 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.894 -1.987 -7.657 1.00 0.00 H new ATOM 496 N PHE A 34 -5.887 -1.930 -6.351 1.00 0.00 N ATOM 497 CA PHE A 34 -6.118 -1.573 -4.961 1.00 0.00 C ATOM 498 C PHE A 34 -5.003 -0.666 -4.436 1.00 0.00 C ATOM 499 O PHE A 34 -5.267 0.439 -3.965 1.00 0.00 O ATOM 500 CB PHE A 34 -6.120 -2.875 -4.159 1.00 0.00 C ATOM 501 CG PHE A 34 -6.708 -2.739 -2.753 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.953 -2.220 -2.584 1.00 0.00 C ATOM 503 CD2 PHE A 34 -5.985 -3.138 -1.672 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.499 -2.093 -1.279 1.00 0.00 C ATOM 505 CE2 PHE A 34 -6.530 -3.011 -0.367 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.776 -2.492 -0.198 1.00 0.00 C ATOM 0 H PHE A 34 -5.897 -2.932 -6.541 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.062 -1.036 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.687 -3.627 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.097 -3.243 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.527 -1.904 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.996 -3.551 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.488 -1.680 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.955 -3.326 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.191 -2.397 0.794 1.00 0.00 H new ATOM 516 N VAL A 35 -3.780 -1.167 -4.535 1.00 0.00 N ATOM 517 CA VAL A 35 -2.624 -0.416 -4.076 1.00 0.00 C ATOM 518 C VAL A 35 -2.692 1.007 -4.633 1.00 0.00 C ATOM 519 O VAL A 35 -2.288 1.958 -3.966 1.00 0.00 O ATOM 520 CB VAL A 35 -1.338 -1.149 -4.461 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.177 -0.166 -4.629 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.995 -2.232 -3.437 1.00 0.00 C ATOM 0 H VAL A 35 -3.565 -2.084 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.625 -0.339 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.506 -1.638 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.726 -0.712 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.418 0.552 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.010 0.364 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.076 -2.737 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.856 -1.775 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.808 -2.957 -3.388 1.00 0.00 H new ATOM 532 N GLY A 36 -3.206 1.108 -5.850 1.00 0.00 N ATOM 533 CA GLY A 36 -3.332 2.399 -6.504 1.00 0.00 C ATOM 534 C GLY A 36 -4.425 3.244 -5.845 1.00 0.00 C ATOM 535 O GLY A 36 -4.285 4.459 -5.721 1.00 0.00 O ATOM 0 H GLY A 36 -3.540 0.317 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.380 2.929 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.565 2.255 -7.559 1.00 0.00 H new ATOM 539 N CYS A 37 -5.489 2.565 -5.441 1.00 0.00 N ATOM 540 CA CYS A 37 -6.605 3.238 -4.798 1.00 0.00 C ATOM 541 C CYS A 37 -6.104 3.862 -3.494 1.00 0.00 C ATOM 542 O CYS A 37 -6.442 5.001 -3.177 1.00 0.00 O ATOM 543 CB CYS A 37 -7.778 2.285 -4.560 1.00 0.00 C ATOM 544 SG CYS A 37 -9.341 3.071 -5.099 1.00 0.00 S ATOM 0 H CYS A 37 -5.602 1.557 -5.546 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.985 4.023 -5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.620 1.356 -5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.837 2.025 -3.503 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.331 2.253 -4.895 1.00 0.00 H new ATOM 550 N LEU A 38 -5.305 3.088 -2.774 1.00 0.00 N ATOM 551 CA LEU A 38 -4.754 3.551 -1.512 1.00 0.00 C ATOM 552 C LEU A 38 -3.712 4.638 -1.783 1.00 0.00 C ATOM 553 O LEU A 38 -3.564 5.572 -0.996 1.00 0.00 O ATOM 554 CB LEU A 38 -4.215 2.373 -0.698 1.00 0.00 C ATOM 555 CG LEU A 38 -4.801 1.001 -1.036 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.414 -0.036 0.020 1.00 0.00 C ATOM 557 CD2 LEU A 38 -6.317 1.084 -1.228 1.00 0.00 C ATOM 0 H LEU A 38 -5.026 2.144 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.534 4.002 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.134 2.328 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.396 2.573 0.358 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.374 0.672 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.843 -1.002 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.328 -0.122 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.794 0.276 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.708 0.095 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.781 1.445 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.543 1.771 -2.044 1.00 0.00 H new ATOM 569 N ALA A 39 -3.017 4.481 -2.900 1.00 0.00 N ATOM 570 CA ALA A 39 -1.993 5.438 -3.285 1.00 0.00 C ATOM 571 C ALA A 39 -2.639 6.807 -3.508 1.00 0.00 C ATOM 572 O ALA A 39 -2.229 7.797 -2.903 1.00 0.00 O ATOM 573 CB ALA A 39 -1.261 4.929 -4.528 1.00 0.00 C ATOM 0 H ALA A 39 -3.143 3.706 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.252 5.548 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.493 5.646 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.796 3.968 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.972 4.809 -5.345 1.00 0.00 H new ATOM 579 N GLY A 40 -3.638 6.820 -4.378 1.00 0.00 N ATOM 580 CA GLY A 40 -4.344 8.052 -4.688 1.00 0.00 C ATOM 581 C GLY A 40 -5.141 8.546 -3.479 1.00 0.00 C ATOM 582 O GLY A 40 -4.808 9.573 -2.889 1.00 0.00 O ATOM 0 H GLY A 40 -3.975 5.997 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.631 8.817 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.017 7.888 -5.529 1.00 0.00 H new ATOM 768 N ASP A 52 5.069 10.916 -6.307 1.00 0.00 N ATOM 769 CA ASP A 52 3.878 10.388 -6.951 1.00 0.00 C ATOM 770 C ASP A 52 4.099 8.913 -7.291 1.00 0.00 C ATOM 771 O ASP A 52 3.242 8.074 -7.016 1.00 0.00 O ATOM 772 CB ASP A 52 3.579 11.134 -8.252 1.00 0.00 C ATOM 773 CG ASP A 52 4.750 11.940 -8.820 1.00 0.00 C ATOM 774 OD1 ASP A 52 5.287 12.839 -8.156 1.00 0.00 O ATOM 775 OD2 ASP A 52 5.112 11.608 -10.012 1.00 0.00 O ATOM 0 HA ASP A 52 3.040 10.511 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.258 10.411 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.741 11.810 -8.081 1.00 0.00 H new ATOM 780 N VAL A 53 5.252 8.642 -7.885 1.00 0.00 N ATOM 781 CA VAL A 53 5.596 7.282 -8.266 1.00 0.00 C ATOM 782 C VAL A 53 6.367 6.617 -7.124 1.00 0.00 C ATOM 783 O VAL A 53 6.553 5.401 -7.122 1.00 0.00 O ATOM 784 CB VAL A 53 6.370 7.289 -9.586 1.00 0.00 C ATOM 785 CG1 VAL A 53 7.187 6.005 -9.748 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.427 7.493 -10.773 1.00 0.00 C ATOM 0 H VAL A 53 5.960 9.341 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 53 4.695 6.693 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 53 7.065 8.128 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.728 6.035 -10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.898 5.920 -8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.518 5.145 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.002 7.494 -11.699 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.697 6.684 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.909 8.446 -10.667 1.00 0.00 H new ATOM 796 N LYS A 54 6.794 7.443 -6.181 1.00 0.00 N ATOM 797 CA LYS A 54 7.541 6.950 -5.036 1.00 0.00 C ATOM 798 C LYS A 54 6.654 6.004 -4.223 1.00 0.00 C ATOM 799 O LYS A 54 7.086 4.918 -3.841 1.00 0.00 O ATOM 800 CB LYS A 54 8.105 8.116 -4.221 1.00 0.00 C ATOM 801 CG LYS A 54 9.566 8.385 -4.588 1.00 0.00 C ATOM 802 CD LYS A 54 10.502 7.971 -3.451 1.00 0.00 C ATOM 803 CE LYS A 54 11.719 8.896 -3.378 1.00 0.00 C ATOM 804 NZ LYS A 54 12.094 9.150 -1.969 1.00 0.00 N ATOM 0 H LYS A 54 6.637 8.451 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 54 8.406 6.374 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.510 9.012 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.029 7.891 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.824 7.837 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.701 9.444 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.963 7.998 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.831 6.943 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.558 8.445 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.497 9.839 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.921 9.779 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.298 9.600 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.327 8.249 -1.504 1.00 0.00 H new ATOM 818 N VAL A 55 5.430 6.452 -3.983 1.00 0.00 N ATOM 819 CA VAL A 55 4.479 5.659 -3.223 1.00 0.00 C ATOM 820 C VAL A 55 4.023 4.469 -4.069 1.00 0.00 C ATOM 821 O VAL A 55 3.789 3.382 -3.543 1.00 0.00 O ATOM 822 CB VAL A 55 3.319 6.540 -2.756 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.507 7.055 -3.946 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.425 5.790 -1.766 1.00 0.00 C ATOM 0 H VAL A 55 5.075 7.354 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 55 4.948 5.258 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 55 3.741 7.403 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.689 7.678 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.152 7.644 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.101 6.210 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.608 6.439 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.017 4.901 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.012 5.496 -0.896 1.00 0.00 H new ATOM 834 N SER A 56 3.909 4.714 -5.366 1.00 0.00 N ATOM 835 CA SER A 56 3.485 3.676 -6.290 1.00 0.00 C ATOM 836 C SER A 56 4.378 2.444 -6.138 1.00 0.00 C ATOM 837 O SER A 56 3.893 1.355 -5.836 1.00 0.00 O ATOM 838 CB SER A 56 3.515 4.179 -7.735 1.00 0.00 C ATOM 839 OG SER A 56 2.406 3.699 -8.490 1.00 0.00 O ATOM 0 H SER A 56 4.103 5.617 -5.799 1.00 0.00 H new ATOM 0 HA SER A 56 2.457 3.403 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.512 5.269 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.443 3.861 -8.211 1.00 0.00 H new ATOM 0 HG SER A 56 2.556 3.879 -9.442 1.00 0.00 H new ATOM 845 N LEU A 57 5.667 2.656 -6.356 1.00 0.00 N ATOM 846 CA LEU A 57 6.633 1.576 -6.247 1.00 0.00 C ATOM 847 C LEU A 57 6.749 1.147 -4.783 1.00 0.00 C ATOM 848 O LEU A 57 6.414 0.016 -4.435 1.00 0.00 O ATOM 849 CB LEU A 57 7.967 1.984 -6.876 1.00 0.00 C ATOM 850 CG LEU A 57 9.049 0.903 -6.914 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.409 0.437 -5.502 1.00 0.00 C ATOM 852 CD2 LEU A 57 8.628 -0.263 -7.812 1.00 0.00 C ATOM 0 H LEU A 57 6.066 3.560 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 57 6.295 0.705 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.778 2.317 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.357 2.842 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 57 9.949 1.337 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.180 -0.331 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.781 1.283 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.523 0.027 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.415 -1.017 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.708 -0.703 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.462 0.100 -8.826 1.00 0.00 H new ATOM 864 N PHE A 58 7.225 2.074 -3.964 1.00 0.00 N ATOM 865 CA PHE A 58 7.390 1.806 -2.545 1.00 0.00 C ATOM 866 C PHE A 58 6.254 0.928 -2.018 1.00 0.00 C ATOM 867 O PHE A 58 6.492 -0.012 -1.261 1.00 0.00 O ATOM 868 CB PHE A 58 7.350 3.157 -1.828 1.00 0.00 C ATOM 869 CG PHE A 58 7.564 3.065 -0.316 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.544 2.672 0.493 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.775 3.376 0.220 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.743 2.586 1.897 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.974 3.290 1.623 1.00 0.00 C ATOM 874 CZ PHE A 58 7.953 2.897 2.432 1.00 0.00 C ATOM 0 H PHE A 58 7.502 3.011 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 58 8.329 1.281 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.115 3.806 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.387 3.631 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.582 2.425 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.585 3.688 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.933 2.274 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.936 3.536 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.104 2.832 3.499 1.00 0.00 H new ATOM 884 N THR A 59 5.044 1.264 -2.439 1.00 0.00 N ATOM 885 CA THR A 59 3.871 0.518 -2.018 1.00 0.00 C ATOM 886 C THR A 59 3.896 -0.893 -2.609 1.00 0.00 C ATOM 887 O THR A 59 3.862 -1.879 -1.874 1.00 0.00 O ATOM 888 CB THR A 59 2.631 1.321 -2.416 1.00 0.00 C ATOM 889 OG1 THR A 59 2.705 2.495 -1.612 1.00 0.00 O ATOM 890 CG2 THR A 59 1.330 0.648 -1.974 1.00 0.00 C ATOM 0 H THR A 59 4.851 2.043 -3.068 1.00 0.00 H new ATOM 0 HA THR A 59 3.855 0.384 -0.936 1.00 0.00 H new ATOM 0 HB THR A 59 2.619 1.458 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.349 3.120 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.481 1.259 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.254 -0.336 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.326 0.541 -0.889 1.00 0.00 H new ATOM 898 N ALA A 60 3.955 -0.945 -3.932 1.00 0.00 N ATOM 899 CA ALA A 60 3.986 -2.219 -4.631 1.00 0.00 C ATOM 900 C ALA A 60 4.985 -3.150 -3.941 1.00 0.00 C ATOM 901 O ALA A 60 4.720 -4.340 -3.779 1.00 0.00 O ATOM 902 CB ALA A 60 4.326 -1.985 -6.104 1.00 0.00 C ATOM 0 H ALA A 60 3.982 -0.125 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 60 3.009 -2.701 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.349 -2.940 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.570 -1.342 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.302 -1.505 -6.180 1.00 0.00 H new ATOM 908 N PHE A 61 6.113 -2.572 -3.554 1.00 0.00 N ATOM 909 CA PHE A 61 7.154 -3.336 -2.886 1.00 0.00 C ATOM 910 C PHE A 61 6.750 -3.671 -1.449 1.00 0.00 C ATOM 911 O PHE A 61 7.103 -4.731 -0.933 1.00 0.00 O ATOM 912 CB PHE A 61 8.406 -2.457 -2.860 1.00 0.00 C ATOM 913 CG PHE A 61 9.429 -2.799 -3.945 1.00 0.00 C ATOM 914 CD1 PHE A 61 9.035 -2.906 -5.242 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.733 -2.997 -3.612 1.00 0.00 C ATOM 916 CE1 PHE A 61 9.984 -3.223 -6.249 1.00 0.00 C ATOM 917 CE2 PHE A 61 11.682 -3.314 -4.619 1.00 0.00 C ATOM 918 CZ PHE A 61 11.288 -3.421 -5.917 1.00 0.00 C ATOM 0 H PHE A 61 6.329 -1.584 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 61 7.326 -4.274 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.108 -1.415 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.882 -2.550 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.000 -2.750 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.046 -2.913 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.670 -3.307 -7.279 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.717 -3.470 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.010 -3.663 -6.683 1.00 0.00 H new ATOM 928 N PHE A 62 6.017 -2.749 -0.844 1.00 0.00 N ATOM 929 CA PHE A 62 5.562 -2.934 0.524 1.00 0.00 C ATOM 930 C PHE A 62 4.578 -4.102 0.621 1.00 0.00 C ATOM 931 O PHE A 62 4.739 -4.985 1.462 1.00 0.00 O ATOM 932 CB PHE A 62 4.848 -1.645 0.936 1.00 0.00 C ATOM 933 CG PHE A 62 4.957 -1.322 2.427 1.00 0.00 C ATOM 934 CD1 PHE A 62 5.174 -2.320 3.325 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.838 -0.037 2.855 1.00 0.00 C ATOM 936 CE1 PHE A 62 5.276 -2.021 4.709 1.00 0.00 C ATOM 937 CE2 PHE A 62 4.940 0.263 4.240 1.00 0.00 C ATOM 938 CZ PHE A 62 5.157 -0.735 5.137 1.00 0.00 C ATOM 0 H PHE A 62 5.727 -1.872 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 62 6.410 -3.154 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.261 -0.814 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.794 -1.724 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.269 -3.341 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.666 0.756 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.448 -2.814 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.845 1.284 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.235 -0.507 6.190 1.00 0.00 H new ATOM 948 N LEU A 63 3.581 -4.068 -0.250 1.00 0.00 N ATOM 949 CA LEU A 63 2.571 -5.112 -0.273 1.00 0.00 C ATOM 950 C LEU A 63 3.220 -6.434 -0.688 1.00 0.00 C ATOM 951 O LEU A 63 2.927 -7.481 -0.113 1.00 0.00 O ATOM 952 CB LEU A 63 1.393 -4.700 -1.158 1.00 0.00 C ATOM 953 CG LEU A 63 0.075 -4.420 -0.434 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.440 -5.675 0.272 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.218 -3.239 0.528 1.00 0.00 C ATOM 0 H LEU A 63 3.451 -3.333 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 63 2.154 -5.260 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.677 -3.806 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.222 -5.489 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.671 -4.140 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.378 -5.448 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.606 -6.463 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.296 -6.009 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.733 -3.061 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.983 -3.465 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.506 -2.348 -0.030 1.00 0.00 H new ATOM 967 N ALA A 64 4.090 -6.342 -1.683 1.00 0.00 N ATOM 968 CA ALA A 64 4.782 -7.518 -2.182 1.00 0.00 C ATOM 969 C ALA A 64 5.525 -8.195 -1.029 1.00 0.00 C ATOM 970 O ALA A 64 5.479 -9.416 -0.888 1.00 0.00 O ATOM 971 CB ALA A 64 5.720 -7.113 -3.322 1.00 0.00 C ATOM 0 H ALA A 64 4.331 -5.472 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 64 4.071 -8.239 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.239 -7.995 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.140 -6.664 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.449 -6.391 -2.954 1.00 0.00 H new ATOM 977 N THR A 65 6.193 -7.372 -0.233 1.00 0.00 N ATOM 978 CA THR A 65 6.945 -7.876 0.903 1.00 0.00 C ATOM 979 C THR A 65 5.994 -8.326 2.014 1.00 0.00 C ATOM 980 O THR A 65 6.286 -9.275 2.740 1.00 0.00 O ATOM 981 CB THR A 65 7.922 -6.785 1.345 1.00 0.00 C ATOM 982 OG1 THR A 65 9.086 -7.504 1.744 1.00 0.00 O ATOM 983 CG2 THR A 65 7.468 -6.073 2.620 1.00 0.00 C ATOM 0 H THR A 65 6.229 -6.360 -0.353 1.00 0.00 H new ATOM 0 HA THR A 65 7.523 -8.760 0.634 1.00 0.00 H new ATOM 0 HB THR A 65 8.037 -6.055 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.773 -6.873 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.197 -5.309 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.498 -5.605 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.385 -6.797 3.431 1.00 0.00 H new ATOM 991 N ILE A 66 4.875 -7.622 2.113 1.00 0.00 N ATOM 992 CA ILE A 66 3.880 -7.937 3.123 1.00 0.00 C ATOM 993 C ILE A 66 3.353 -9.354 2.890 1.00 0.00 C ATOM 994 O ILE A 66 3.492 -10.221 3.752 1.00 0.00 O ATOM 995 CB ILE A 66 2.783 -6.870 3.146 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.285 -5.581 3.801 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.516 -7.400 3.820 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.495 -4.369 3.304 1.00 0.00 C ATOM 0 H ILE A 66 4.636 -6.835 1.510 1.00 0.00 H new ATOM 0 HA ILE A 66 4.329 -7.922 4.116 1.00 0.00 H new ATOM 0 HB ILE A 66 2.522 -6.627 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.193 -5.660 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.344 -5.445 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.753 -6.622 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.148 -8.267 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.743 -7.689 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.872 -3.467 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.609 -4.279 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.440 -4.497 3.548 1.00 0.00 H new ATOM 1010 N MET A 67 2.761 -9.547 1.721 1.00 0.00 N ATOM 1011 CA MET A 67 2.213 -10.844 1.364 1.00 0.00 C ATOM 1012 C MET A 67 3.325 -11.882 1.198 1.00 0.00 C ATOM 1013 O MET A 67 3.343 -12.895 1.895 1.00 0.00 O ATOM 1014 CB MET A 67 1.427 -10.725 0.057 1.00 0.00 C ATOM 1015 CG MET A 67 -0.028 -10.335 0.326 1.00 0.00 C ATOM 1016 SD MET A 67 -0.639 -9.304 -0.997 1.00 0.00 S ATOM 1017 CE MET A 67 -2.296 -8.997 -0.410 1.00 0.00 C ATOM 0 H MET A 67 2.649 -8.826 1.008 1.00 0.00 H new ATOM 0 HA MET A 67 1.552 -11.171 2.167 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.894 -9.979 -0.586 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.460 -11.674 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.643 -11.231 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.101 -9.804 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.823 -8.363 -1.123 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.826 -9.944 -0.305 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.252 -8.497 0.557 1.00 0.00 H new ATOM 1027 N GLY A 68 4.226 -11.593 0.271 1.00 0.00 N ATOM 1028 CA GLY A 68 5.339 -12.488 0.004 1.00 0.00 C ATOM 1029 C GLY A 68 5.540 -12.680 -1.501 1.00 0.00 C ATOM 1030 O GLY A 68 5.746 -13.801 -1.965 1.00 0.00 O ATOM 0 H GLY A 68 4.208 -10.751 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.249 -12.084 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.155 -13.453 0.476 1.00 0.00 H new ATOM 1245 N ALA A 80 3.247 -8.921 -10.790 1.00 0.00 N ATOM 1246 CA ALA A 80 2.678 -8.609 -12.090 1.00 0.00 C ATOM 1247 C ALA A 80 1.635 -7.501 -11.934 1.00 0.00 C ATOM 1248 O ALA A 80 1.788 -6.416 -12.493 1.00 0.00 O ATOM 1249 CB ALA A 80 2.092 -9.879 -12.710 1.00 0.00 C ATOM 0 HA ALA A 80 3.449 -8.242 -12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.665 -9.644 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.880 -10.623 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.313 -10.276 -12.059 1.00 0.00 H new ATOM 1255 N GLY A 81 0.597 -7.812 -11.171 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.471 -6.857 -10.934 1.00 0.00 C ATOM 1257 C GLY A 81 0.017 -5.692 -10.070 1.00 0.00 C ATOM 1258 O GLY A 81 -0.367 -4.545 -10.295 1.00 0.00 O ATOM 0 H GLY A 81 0.473 -8.713 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.842 -6.478 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.306 -7.355 -10.441 1.00 0.00 H new ATOM 1262 N LEU A 82 0.855 -6.027 -9.101 1.00 0.00 N ATOM 1263 CA LEU A 82 1.399 -5.023 -8.202 1.00 0.00 C ATOM 1264 C LEU A 82 2.018 -3.891 -9.024 1.00 0.00 C ATOM 1265 O LEU A 82 1.428 -2.820 -9.155 1.00 0.00 O ATOM 1266 CB LEU A 82 2.370 -5.664 -7.208 1.00 0.00 C ATOM 1267 CG LEU A 82 2.029 -5.485 -5.727 1.00 0.00 C ATOM 1268 CD1 LEU A 82 0.627 -6.015 -5.420 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.093 -6.131 -4.838 1.00 0.00 C ATOM 0 H LEU A 82 1.171 -6.979 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 82 0.606 -4.582 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.425 -6.732 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.364 -5.252 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 82 2.027 -4.418 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.409 -5.876 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.106 -5.471 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.578 -7.076 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.827 -5.989 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.151 -7.197 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.060 -5.667 -5.032 1.00 0.00 H new ATOM 1281 N VAL A 83 3.200 -4.167 -9.556 1.00 0.00 N ATOM 1282 CA VAL A 83 3.906 -3.185 -10.362 1.00 0.00 C ATOM 1283 C VAL A 83 2.962 -2.639 -11.435 1.00 0.00 C ATOM 1284 O VAL A 83 2.906 -1.431 -11.661 1.00 0.00 O ATOM 1285 CB VAL A 83 5.179 -3.803 -10.943 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.342 -3.696 -9.954 1.00 0.00 C ATOM 1287 CG2 VAL A 83 4.943 -5.257 -11.357 1.00 0.00 C ATOM 0 H VAL A 83 3.687 -5.057 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 83 4.222 -2.342 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 83 5.447 -3.239 -11.837 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.234 -4.143 -10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.534 -2.647 -9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.087 -4.222 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.864 -5.673 -11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.638 -5.838 -10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.159 -5.297 -12.113 1.00 0.00 H new ATOM 1297 N ALA A 84 2.244 -3.555 -12.068 1.00 0.00 N ATOM 1298 CA ALA A 84 1.306 -3.181 -13.112 1.00 0.00 C ATOM 1299 C ALA A 84 0.382 -2.079 -12.590 1.00 0.00 C ATOM 1300 O ALA A 84 -0.039 -1.206 -13.348 1.00 0.00 O ATOM 1301 CB ALA A 84 0.534 -4.419 -13.573 1.00 0.00 C ATOM 0 H ALA A 84 2.293 -4.556 -11.878 1.00 0.00 H new ATOM 0 HA ALA A 84 1.835 -2.785 -13.979 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.170 -4.138 -14.356 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.233 -5.160 -13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.012 -4.842 -12.730 1.00 0.00 H new ATOM 1307 N GLY A 85 0.093 -2.155 -11.299 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.774 -1.176 -10.667 1.00 0.00 C ATOM 1309 C GLY A 85 -0.030 0.139 -10.425 1.00 0.00 C ATOM 1310 O GLY A 85 -0.572 1.217 -10.666 1.00 0.00 O ATOM 0 H GLY A 85 0.444 -2.880 -10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.645 -0.995 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.143 -1.569 -9.720 1.00 0.00 H new ATOM 1314 N LEU A 86 1.200 0.007 -9.951 1.00 0.00 N ATOM 1315 CA LEU A 86 2.024 1.171 -9.674 1.00 0.00 C ATOM 1316 C LEU A 86 2.063 2.070 -10.912 1.00 0.00 C ATOM 1317 O LEU A 86 1.925 3.287 -10.804 1.00 0.00 O ATOM 1318 CB LEU A 86 3.408 0.743 -9.181 1.00 0.00 C ATOM 1319 CG LEU A 86 4.533 0.787 -10.218 1.00 0.00 C ATOM 1320 CD1 LEU A 86 4.941 2.229 -10.524 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.723 -0.063 -9.771 1.00 0.00 C ATOM 0 H LEU A 86 1.646 -0.888 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 86 1.591 1.760 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.687 1.383 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.336 -0.274 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 86 4.159 0.355 -11.146 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.742 2.231 -11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.083 2.774 -10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.290 2.710 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.508 -0.015 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.106 0.317 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.404 -1.098 -9.645 1.00 0.00 H new ATOM 1333 N SER A 87 2.252 1.435 -12.059 1.00 0.00 N ATOM 1334 CA SER A 87 2.311 2.162 -13.316 1.00 0.00 C ATOM 1335 C SER A 87 0.923 2.697 -13.676 1.00 0.00 C ATOM 1336 O SER A 87 0.743 3.903 -13.840 1.00 0.00 O ATOM 1337 CB SER A 87 2.845 1.274 -14.441 1.00 0.00 C ATOM 1338 OG SER A 87 3.181 2.028 -15.603 1.00 0.00 O ATOM 0 H SER A 87 2.366 0.425 -12.145 1.00 0.00 H new ATOM 0 HA SER A 87 2.997 3.000 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.726 0.736 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.096 0.526 -14.699 1.00 0.00 H new ATOM 0 HG SER A 87 3.520 1.425 -16.298 1.00 0.00 H new ATOM 1344 N LEU A 88 -0.021 1.775 -13.788 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.387 2.139 -14.126 1.00 0.00 C ATOM 1346 C LEU A 88 -1.833 3.305 -13.241 1.00 0.00 C ATOM 1347 O LEU A 88 -2.728 4.062 -13.611 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.304 0.917 -14.042 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.409 0.835 -15.096 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -2.985 -0.055 -16.267 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.728 0.372 -14.473 1.00 0.00 C ATOM 0 H LEU A 88 0.133 0.776 -13.651 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.446 2.482 -15.159 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.689 0.020 -14.118 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.768 0.903 -13.056 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.575 1.836 -15.495 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.789 -0.096 -17.002 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.089 0.357 -16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.775 -1.060 -15.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.497 0.322 -15.244 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.594 -0.615 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.033 1.078 -13.701 1.00 0.00 H new ATOM 1363 N MET A 89 -1.187 3.412 -12.089 1.00 0.00 N ATOM 1364 CA MET A 89 -1.506 4.472 -11.148 1.00 0.00 C ATOM 1365 C MET A 89 -0.839 5.787 -11.557 1.00 0.00 C ATOM 1366 O MET A 89 -1.509 6.808 -11.704 1.00 0.00 O ATOM 1367 CB MET A 89 -1.033 4.073 -9.749 1.00 0.00 C ATOM 1368 CG MET A 89 -1.669 4.965 -8.680 1.00 0.00 C ATOM 1369 SD MET A 89 -0.396 5.750 -7.705 1.00 0.00 S ATOM 1370 CE MET A 89 -0.157 7.244 -8.652 1.00 0.00 C ATOM 0 H MET A 89 -0.444 2.782 -11.786 1.00 0.00 H new ATOM 0 HA MET A 89 -2.586 4.619 -11.148 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.289 3.031 -9.558 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.053 4.150 -9.693 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.296 5.722 -9.152 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.317 4.370 -8.036 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.002 8.084 -7.974 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.716 7.131 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.038 7.431 -9.266 1.00 0.00 H new ATOM 1380 N MET A 90 0.473 5.719 -11.729 1.00 0.00 N ATOM 1381 CA MET A 90 1.239 6.891 -12.117 1.00 0.00 C ATOM 1382 C MET A 90 0.728 7.466 -13.440 1.00 0.00 C ATOM 1383 O MET A 90 0.989 8.625 -13.760 1.00 0.00 O ATOM 1384 CB MET A 90 2.714 6.513 -12.261 1.00 0.00 C ATOM 1385 CG MET A 90 2.986 5.874 -13.624 1.00 0.00 C ATOM 1386 SD MET A 90 3.905 7.003 -14.656 1.00 0.00 S ATOM 1387 CE MET A 90 5.550 6.341 -14.453 1.00 0.00 C ATOM 0 H MET A 90 1.025 4.870 -11.607 1.00 0.00 H new ATOM 0 HA MET A 90 1.123 7.650 -11.343 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.334 7.402 -12.142 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.994 5.820 -11.468 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.546 4.948 -13.495 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.044 5.612 -14.106 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.283 7.126 -14.636 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.668 5.964 -13.437 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.705 5.528 -15.162 1.00 0.00 H new ATOM 1397 N ILE A 91 0.009 6.629 -14.173 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.542 7.039 -15.454 1.00 0.00 C ATOM 1399 C ILE A 91 -1.955 7.586 -15.246 1.00 0.00 C ATOM 1400 O ILE A 91 -2.341 8.574 -15.869 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.469 5.890 -16.461 1.00 0.00 C ATOM 1402 CG1 ILE A 91 -0.271 6.418 -17.884 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.699 4.986 -16.351 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.749 5.571 -18.646 1.00 0.00 C ATOM 0 H ILE A 91 -0.205 5.669 -13.905 1.00 0.00 H new ATOM 0 HA ILE A 91 0.052 7.846 -15.883 1.00 0.00 H new ATOM 0 HB ILE A 91 0.402 5.280 -16.220 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.223 6.411 -18.414 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.066 7.454 -17.848 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.622 4.177 -17.078 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.754 4.567 -15.346 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.598 5.569 -16.551 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.871 5.968 -19.654 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.707 5.600 -18.126 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.397 4.541 -18.702 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.690 6.919 -14.367 1.00 0.00 N ATOM 1417 CA LEU A 92 -4.052 7.325 -14.069 1.00 0.00 C ATOM 1418 C LEU A 92 -4.026 8.605 -13.230 1.00 0.00 C ATOM 1419 O LEU A 92 -5.050 9.268 -13.071 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.823 6.177 -13.415 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.654 6.031 -11.902 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.493 7.069 -11.154 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.970 4.604 -11.449 1.00 0.00 C ATOM 0 H LEU A 92 -2.367 6.100 -13.852 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.590 7.556 -14.988 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.883 6.308 -13.631 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.515 5.244 -13.887 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.610 6.222 -11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.355 6.943 -10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.177 8.071 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.546 6.934 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.842 4.528 -10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.999 4.359 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.294 3.907 -11.944 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.845 8.912 -12.715 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.672 10.100 -11.896 1.00 0.00 C ATOM 1437 C ARG A 93 -1.970 11.199 -12.697 1.00 0.00 C ATOM 1438 O ARG A 93 -2.395 12.353 -12.678 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.853 9.790 -10.642 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.701 9.951 -9.379 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.235 11.153 -8.555 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.929 11.170 -7.248 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.831 12.168 -6.358 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -2.067 13.235 -6.630 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.496 12.097 -5.197 1.00 0.00 N ATOM 0 H ARG A 93 -1.998 8.359 -12.849 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.662 10.442 -11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.467 8.772 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.991 10.455 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.748 10.078 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.637 9.045 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.157 11.104 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.439 12.077 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.519 10.373 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.560 13.288 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.992 13.994 -5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.076 11.284 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.422 12.856 -4.520 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.907 10.802 -13.380 1.00 0.00 N ATOM 1460 CA LEU A 94 -0.142 11.738 -14.186 1.00 0.00 C ATOM 1461 C LEU A 94 -1.047 12.334 -15.266 1.00 0.00 C ATOM 1462 O LEU A 94 -0.711 13.350 -15.872 1.00 0.00 O ATOM 1463 CB LEU A 94 1.116 11.066 -14.740 1.00 0.00 C ATOM 1464 CG LEU A 94 2.020 11.944 -15.607 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.200 12.485 -14.797 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.479 11.192 -16.858 1.00 0.00 C ATOM 0 H LEU A 94 -0.557 9.844 -13.392 1.00 0.00 H new ATOM 0 HA LEU A 94 0.211 12.567 -13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.703 10.692 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.812 10.200 -15.328 1.00 0.00 H new ATOM 0 HG LEU A 94 1.440 12.804 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.827 13.106 -15.437 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.827 13.082 -13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.788 11.653 -14.411 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.120 11.839 -17.457 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.035 10.302 -16.564 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.609 10.899 -17.446 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.178 11.676 -15.473 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.135 12.127 -16.470 1.00 0.00 C ATOM 1480 C VAL A 95 -3.726 13.468 -16.031 1.00 0.00 C ATOM 1481 O VAL A 95 -3.950 14.352 -16.857 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.198 11.051 -16.700 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.497 11.668 -17.223 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.684 9.967 -17.650 1.00 0.00 C ATOM 0 H VAL A 95 -2.454 10.834 -14.968 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.642 12.287 -17.429 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.413 10.581 -15.740 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.236 10.882 -17.378 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.877 12.386 -16.496 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.304 12.176 -18.168 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.459 9.214 -17.797 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.428 10.416 -18.610 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.799 9.497 -17.221 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.964 13.578 -14.732 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.525 14.796 -14.174 1.00 0.00 C ATOM 1496 C LEU A 96 -3.389 15.733 -13.759 1.00 0.00 C ATOM 1497 O LEU A 96 -3.608 16.688 -13.016 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.497 14.467 -13.039 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.863 13.983 -11.733 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.149 14.958 -10.590 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.315 12.559 -11.399 1.00 0.00 C ATOM 0 H LEU A 96 -3.778 12.843 -14.050 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.114 15.323 -14.925 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.089 15.357 -12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.189 13.701 -13.390 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.782 13.955 -11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.687 14.590 -9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.738 15.937 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.226 15.043 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.850 12.239 -10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.399 12.538 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.018 11.885 -12.202 1.00 0.00 H new