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 88:sc= 0.505 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 -163:sc= -0.0855 USER MOD Single : A 59 THR OG1 : rot 100:sc= 1.02 USER MOD Single : A 65 THR OG1 : rot 85:sc= 0.0871 USER MOD Single : A 67 MET CE :methyl 174:sc= 0 (180deg=-0.0449) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 151:sc=-0.00936 (180deg=-1.43) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -29.746 -25.838 8.498 1.00 0.00 N ATOM 103 CA TYR A 8 -28.384 -25.896 9.002 1.00 0.00 C ATOM 104 C TYR A 8 -27.386 -26.101 7.861 1.00 0.00 C ATOM 105 O TYR A 8 -26.346 -25.446 7.816 1.00 0.00 O ATOM 106 CB TYR A 8 -28.331 -27.107 9.935 1.00 0.00 C ATOM 107 CG TYR A 8 -27.210 -27.043 10.975 1.00 0.00 C ATOM 108 CD1 TYR A 8 -27.377 -26.297 12.124 1.00 0.00 C ATOM 109 CD2 TYR A 8 -26.033 -27.731 10.763 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.322 -26.237 13.102 1.00 0.00 C ATOM 111 CE2 TYR A 8 -24.978 -27.671 11.741 1.00 0.00 C ATOM 112 CZ TYR A 8 -25.174 -26.927 12.863 1.00 0.00 C ATOM 113 OH TYR A 8 -24.178 -26.870 13.787 1.00 0.00 O ATOM 0 HA TYR A 8 -28.122 -24.967 9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -29.287 -27.197 10.451 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -28.206 -28.009 9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.298 -25.759 12.289 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.903 -28.315 9.864 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.439 -25.657 14.005 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.052 -28.205 11.587 1.00 0.00 H new ATOM 0 HH TYR A 8 -23.419 -27.411 13.484 1.00 0.00 H new ATOM 123 N ALA A 9 -27.737 -27.014 6.968 1.00 0.00 N ATOM 124 CA ALA A 9 -26.885 -27.314 5.830 1.00 0.00 C ATOM 125 C ALA A 9 -26.910 -26.136 4.854 1.00 0.00 C ATOM 126 O ALA A 9 -25.948 -25.911 4.122 1.00 0.00 O ATOM 127 CB ALA A 9 -27.343 -28.621 5.179 1.00 0.00 C ATOM 0 H ALA A 9 -28.600 -27.556 7.009 1.00 0.00 H new ATOM 0 HA ALA A 9 -25.853 -27.454 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.704 -28.846 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -27.277 -29.432 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -28.375 -28.518 4.843 1.00 0.00 H new ATOM 133 N ALA A 10 -28.022 -25.416 4.875 1.00 0.00 N ATOM 134 CA ALA A 10 -28.185 -24.266 4.002 1.00 0.00 C ATOM 135 C ALA A 10 -27.140 -23.208 4.358 1.00 0.00 C ATOM 136 O ALA A 10 -26.278 -22.883 3.543 1.00 0.00 O ATOM 137 CB ALA A 10 -29.616 -23.736 4.118 1.00 0.00 C ATOM 0 H ALA A 10 -28.819 -25.607 5.483 1.00 0.00 H new ATOM 0 HA ALA A 10 -28.025 -24.548 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -29.739 -22.873 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -30.318 -24.517 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -29.812 -23.440 5.149 1.00 0.00 H new ATOM 143 N LEU A 11 -27.251 -22.699 5.576 1.00 0.00 N ATOM 144 CA LEU A 11 -26.326 -21.683 6.050 1.00 0.00 C ATOM 145 C LEU A 11 -24.895 -22.217 5.952 1.00 0.00 C ATOM 146 O LEU A 11 -23.989 -21.500 5.532 1.00 0.00 O ATOM 147 CB LEU A 11 -26.714 -21.218 7.455 1.00 0.00 C ATOM 148 CG LEU A 11 -26.514 -22.238 8.578 1.00 0.00 C ATOM 149 CD1 LEU A 11 -25.137 -22.077 9.225 1.00 0.00 C ATOM 150 CD2 LEU A 11 -27.644 -22.151 9.606 1.00 0.00 C ATOM 0 H LEU A 11 -27.967 -22.971 6.249 1.00 0.00 H new ATOM 0 HA LEU A 11 -26.380 -20.795 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -26.135 -20.326 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -27.763 -20.923 7.442 1.00 0.00 H new ATOM 0 HG LEU A 11 -26.551 -23.237 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.020 -22.814 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.362 -22.228 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.046 -21.074 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -27.477 -22.886 10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.664 -21.152 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -28.597 -22.353 9.117 1.00 0.00 H new ATOM 162 N VAL A 12 -24.738 -23.472 6.347 1.00 0.00 N ATOM 163 CA VAL A 12 -23.433 -24.110 6.309 1.00 0.00 C ATOM 164 C VAL A 12 -22.847 -23.981 4.902 1.00 0.00 C ATOM 165 O VAL A 12 -21.696 -23.581 4.739 1.00 0.00 O ATOM 166 CB VAL A 12 -23.547 -25.562 6.779 1.00 0.00 C ATOM 167 CG1 VAL A 12 -22.365 -26.394 6.278 1.00 0.00 C ATOM 168 CG2 VAL A 12 -23.665 -25.638 8.302 1.00 0.00 C ATOM 0 H VAL A 12 -25.492 -24.064 6.695 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.745 -23.614 6.994 1.00 0.00 H new ATOM 0 HB VAL A 12 -24.458 -25.982 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -22.470 -27.422 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.346 -26.380 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.436 -25.974 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -23.745 -26.681 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -22.781 -25.192 8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -24.553 -25.096 8.626 1.00 0.00 H new ATOM 178 N THR A 13 -23.667 -24.327 3.920 1.00 0.00 N ATOM 179 CA THR A 13 -23.245 -24.255 2.532 1.00 0.00 C ATOM 180 C THR A 13 -22.903 -22.813 2.153 1.00 0.00 C ATOM 181 O THR A 13 -21.962 -22.572 1.399 1.00 0.00 O ATOM 182 CB THR A 13 -24.352 -24.865 1.669 1.00 0.00 C ATOM 183 OG1 THR A 13 -24.213 -26.269 1.868 1.00 0.00 O ATOM 184 CG2 THR A 13 -24.099 -24.673 0.172 1.00 0.00 C ATOM 0 H THR A 13 -24.622 -24.658 4.059 1.00 0.00 H new ATOM 0 HA THR A 13 -22.332 -24.826 2.366 1.00 0.00 H new ATOM 0 HB THR A 13 -25.309 -24.417 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 13 -24.734 -26.541 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.913 -25.124 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 13 -24.045 -23.608 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 -23.158 -25.150 -0.102 1.00 0.00 H new ATOM 192 N PHE A 14 -23.688 -21.891 2.692 1.00 0.00 N ATOM 193 CA PHE A 14 -23.480 -20.479 2.420 1.00 0.00 C ATOM 194 C PHE A 14 -22.114 -20.017 2.931 1.00 0.00 C ATOM 195 O PHE A 14 -21.318 -19.465 2.173 1.00 0.00 O ATOM 196 CB PHE A 14 -24.575 -19.714 3.166 1.00 0.00 C ATOM 197 CG PHE A 14 -24.971 -18.392 2.505 1.00 0.00 C ATOM 198 CD1 PHE A 14 -25.450 -18.385 1.232 1.00 0.00 C ATOM 199 CD2 PHE A 14 -24.844 -17.224 3.191 1.00 0.00 C ATOM 200 CE1 PHE A 14 -25.817 -17.158 0.619 1.00 0.00 C ATOM 201 CE2 PHE A 14 -25.211 -15.997 2.578 1.00 0.00 C ATOM 202 CZ PHE A 14 -25.690 -15.990 1.305 1.00 0.00 C ATOM 0 H PHE A 14 -24.469 -22.095 3.316 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.516 -20.298 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.458 -20.348 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.236 -19.513 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.551 -19.312 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.464 -17.230 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -26.197 -17.152 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.110 -15.070 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 14 -25.970 -15.057 0.839 1.00 0.00 H new ATOM 212 N GLY A 15 -21.884 -20.261 4.213 1.00 0.00 N ATOM 213 CA GLY A 15 -20.627 -19.877 4.833 1.00 0.00 C ATOM 214 C GLY A 15 -19.452 -20.626 4.202 1.00 0.00 C ATOM 215 O GLY A 15 -18.327 -20.130 4.194 1.00 0.00 O ATOM 0 H GLY A 15 -22.546 -20.719 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.478 -18.803 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.665 -20.088 5.902 1.00 0.00 H new ATOM 219 N SER A 16 -19.754 -21.809 3.688 1.00 0.00 N ATOM 220 CA SER A 16 -18.737 -22.632 3.056 1.00 0.00 C ATOM 221 C SER A 16 -18.297 -21.998 1.735 1.00 0.00 C ATOM 222 O SER A 16 -17.102 -21.889 1.462 1.00 0.00 O ATOM 223 CB SER A 16 -19.248 -24.054 2.817 1.00 0.00 C ATOM 224 OG SER A 16 -18.468 -25.025 3.510 1.00 0.00 O ATOM 0 H SER A 16 -20.689 -22.217 3.696 1.00 0.00 H new ATOM 0 HA SER A 16 -17.880 -22.691 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.286 -24.125 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.231 -24.271 1.749 1.00 0.00 H new ATOM 0 HG SER A 16 -18.827 -25.920 3.333 1.00 0.00 H new ATOM 230 N ILE A 17 -19.285 -21.596 0.950 1.00 0.00 N ATOM 231 CA ILE A 17 -19.015 -20.975 -0.335 1.00 0.00 C ATOM 232 C ILE A 17 -18.404 -19.590 -0.110 1.00 0.00 C ATOM 233 O ILE A 17 -17.228 -19.373 -0.398 1.00 0.00 O ATOM 234 CB ILE A 17 -20.279 -20.956 -1.197 1.00 0.00 C ATOM 235 CG1 ILE A 17 -20.749 -22.378 -1.512 1.00 0.00 C ATOM 236 CG2 ILE A 17 -20.066 -20.128 -2.466 1.00 0.00 C ATOM 237 CD1 ILE A 17 -19.640 -23.184 -2.191 1.00 0.00 C ATOM 0 H ILE A 17 -20.275 -21.688 1.179 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.284 -21.559 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 17 -21.073 -20.473 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.054 -22.876 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.625 -22.340 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.980 -20.131 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -19.814 -19.103 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -19.252 -20.559 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.000 -24.191 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -19.354 -22.696 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.775 -23.240 -1.531 1.00 0.00 H new ATOM 249 N PHE A 18 -19.230 -18.690 0.402 1.00 0.00 N ATOM 250 CA PHE A 18 -18.786 -17.333 0.669 1.00 0.00 C ATOM 251 C PHE A 18 -17.507 -17.330 1.510 1.00 0.00 C ATOM 252 O PHE A 18 -16.552 -16.624 1.191 1.00 0.00 O ATOM 253 CB PHE A 18 -19.901 -16.644 1.458 1.00 0.00 C ATOM 254 CG PHE A 18 -20.716 -15.642 0.637 1.00 0.00 C ATOM 255 CD1 PHE A 18 -21.462 -16.072 -0.416 1.00 0.00 C ATOM 256 CD2 PHE A 18 -20.694 -14.321 0.960 1.00 0.00 C ATOM 257 CE1 PHE A 18 -22.218 -15.143 -1.178 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.450 -13.391 0.198 1.00 0.00 C ATOM 259 CZ PHE A 18 -22.196 -13.822 -0.855 1.00 0.00 C ATOM 0 H PHE A 18 -20.205 -18.874 0.639 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.574 -16.820 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.573 -17.404 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -19.462 -16.127 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -21.479 -17.121 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -20.102 -13.979 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -22.810 -15.485 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -21.433 -12.342 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.771 -13.115 -1.435 1.00 0.00 H new ATOM 441 N ILE A 30 -6.682 -7.616 -7.739 1.00 0.00 N ATOM 442 CA ILE A 30 -7.073 -6.915 -6.528 1.00 0.00 C ATOM 443 C ILE A 30 -5.868 -6.150 -5.975 1.00 0.00 C ATOM 444 O ILE A 30 -6.024 -5.086 -5.378 1.00 0.00 O ATOM 445 CB ILE A 30 -7.698 -7.886 -5.524 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.275 -7.136 -4.322 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.693 -8.959 -5.102 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.098 -5.927 -4.773 1.00 0.00 C ATOM 0 HA ILE A 30 -7.846 -6.179 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.528 -8.396 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.901 -7.808 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.465 -6.807 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.162 -9.636 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.372 -9.521 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.828 -8.485 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.497 -5.412 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.463 -5.245 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.922 -6.262 -5.403 1.00 0.00 H new ATOM 460 N ALA A 31 -4.693 -6.723 -6.193 1.00 0.00 N ATOM 461 CA ALA A 31 -3.463 -6.108 -5.725 1.00 0.00 C ATOM 462 C ALA A 31 -3.312 -4.726 -6.363 1.00 0.00 C ATOM 463 O ALA A 31 -3.088 -3.738 -5.667 1.00 0.00 O ATOM 464 CB ALA A 31 -2.281 -7.028 -6.039 1.00 0.00 C ATOM 0 H ALA A 31 -4.567 -7.606 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.491 -5.969 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.358 -6.567 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.422 -7.985 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.220 -7.188 -7.116 1.00 0.00 H new ATOM 470 N GLY A 32 -3.442 -4.701 -7.682 1.00 0.00 N ATOM 471 CA GLY A 32 -3.323 -3.457 -8.422 1.00 0.00 C ATOM 472 C GLY A 32 -4.391 -2.453 -7.982 1.00 0.00 C ATOM 473 O GLY A 32 -4.070 -1.334 -7.586 1.00 0.00 O ATOM 0 H GLY A 32 -3.629 -5.523 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.332 -3.031 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.422 -3.654 -9.490 1.00 0.00 H new ATOM 477 N LEU A 33 -5.639 -2.890 -8.066 1.00 0.00 N ATOM 478 CA LEU A 33 -6.755 -2.044 -7.682 1.00 0.00 C ATOM 479 C LEU A 33 -6.460 -1.401 -6.325 1.00 0.00 C ATOM 480 O LEU A 33 -6.672 -0.204 -6.142 1.00 0.00 O ATOM 481 CB LEU A 33 -8.064 -2.836 -7.715 1.00 0.00 C ATOM 482 CG LEU A 33 -9.271 -2.166 -7.055 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.309 -1.755 -8.101 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.872 -3.063 -5.972 1.00 0.00 C ATOM 0 H LEU A 33 -5.901 -3.819 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.881 -1.233 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.313 -3.044 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.896 -3.797 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.930 -1.254 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.157 -1.281 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.860 -1.052 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.651 -2.638 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.728 -2.563 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.195 -4.004 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.122 -3.262 -5.207 1.00 0.00 H new ATOM 496 N PHE A 34 -5.974 -2.226 -5.409 1.00 0.00 N ATOM 497 CA PHE A 34 -5.647 -1.753 -4.075 1.00 0.00 C ATOM 498 C PHE A 34 -4.609 -0.631 -4.130 1.00 0.00 C ATOM 499 O PHE A 34 -4.813 0.438 -3.557 1.00 0.00 O ATOM 500 CB PHE A 34 -5.057 -2.941 -3.312 1.00 0.00 C ATOM 501 CG PHE A 34 -5.140 -2.806 -1.790 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.348 -2.859 -1.168 1.00 0.00 C ATOM 503 CD2 PHE A 34 -4.006 -2.634 -1.059 1.00 0.00 C ATOM 504 CE1 PHE A 34 -6.425 -2.734 0.245 1.00 0.00 C ATOM 505 CE2 PHE A 34 -4.083 -2.509 0.353 1.00 0.00 C ATOM 506 CZ PHE A 34 -5.291 -2.561 0.975 1.00 0.00 C ATOM 0 H PHE A 34 -5.799 -3.219 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.541 -1.361 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.578 -3.849 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.013 -3.062 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.249 -2.996 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.046 -2.592 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.384 -2.776 0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.182 -2.373 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.350 -2.465 2.049 1.00 0.00 H new ATOM 516 N VAL A 35 -3.516 -0.912 -4.825 1.00 0.00 N ATOM 517 CA VAL A 35 -2.446 0.060 -4.963 1.00 0.00 C ATOM 518 C VAL A 35 -3.032 1.397 -5.421 1.00 0.00 C ATOM 519 O VAL A 35 -2.603 2.456 -4.967 1.00 0.00 O ATOM 520 CB VAL A 35 -1.370 -0.476 -5.909 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.556 0.667 -6.519 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.459 -1.476 -5.194 1.00 0.00 C ATOM 0 H VAL A 35 -3.349 -1.800 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.960 0.230 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.872 -1.001 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.202 0.258 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.218 1.326 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.071 1.233 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.297 -1.841 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.029 -0.986 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.053 -2.314 -4.831 1.00 0.00 H new ATOM 532 N GLY A 36 -4.005 1.304 -6.316 1.00 0.00 N ATOM 533 CA GLY A 36 -4.655 2.493 -6.841 1.00 0.00 C ATOM 534 C GLY A 36 -5.567 3.129 -5.789 1.00 0.00 C ATOM 535 O GLY A 36 -5.653 4.352 -5.696 1.00 0.00 O ATOM 0 H GLY A 36 -4.359 0.424 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.901 3.214 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.239 2.233 -7.724 1.00 0.00 H new ATOM 539 N CYS A 37 -6.224 2.269 -5.024 1.00 0.00 N ATOM 540 CA CYS A 37 -7.125 2.732 -3.983 1.00 0.00 C ATOM 541 C CYS A 37 -6.319 3.563 -2.983 1.00 0.00 C ATOM 542 O CYS A 37 -6.688 4.693 -2.669 1.00 0.00 O ATOM 543 CB CYS A 37 -7.850 1.568 -3.305 1.00 0.00 C ATOM 544 SG CYS A 37 -9.657 1.726 -3.552 1.00 0.00 S ATOM 0 H CYS A 37 -6.150 1.255 -5.105 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.905 3.353 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.500 0.621 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.620 1.557 -2.240 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.263 0.731 -2.974 1.00 0.00 H new ATOM 550 N LEU A 38 -5.232 2.970 -2.510 1.00 0.00 N ATOM 551 CA LEU A 38 -4.371 3.641 -1.552 1.00 0.00 C ATOM 552 C LEU A 38 -3.712 4.848 -2.223 1.00 0.00 C ATOM 553 O LEU A 38 -3.447 5.857 -1.572 1.00 0.00 O ATOM 554 CB LEU A 38 -3.372 2.653 -0.946 1.00 0.00 C ATOM 555 CG LEU A 38 -2.357 2.045 -1.916 1.00 0.00 C ATOM 556 CD1 LEU A 38 -1.240 3.040 -2.236 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.809 0.722 -1.378 1.00 0.00 C ATOM 0 H LEU A 38 -4.928 2.032 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.956 4.021 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.826 3.161 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.931 1.841 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.869 1.824 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.532 2.583 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.668 3.933 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.723 3.315 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.090 0.311 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.317 0.894 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.629 0.017 -1.243 1.00 0.00 H new ATOM 569 N ALA A 39 -3.465 4.703 -3.517 1.00 0.00 N ATOM 570 CA ALA A 39 -2.842 5.769 -4.284 1.00 0.00 C ATOM 571 C ALA A 39 -3.712 7.024 -4.204 1.00 0.00 C ATOM 572 O ALA A 39 -3.200 8.129 -4.031 1.00 0.00 O ATOM 573 CB ALA A 39 -2.623 5.301 -5.724 1.00 0.00 C ATOM 0 H ALA A 39 -3.685 3.864 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.865 6.019 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.156 6.100 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.975 4.425 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.582 5.044 -6.173 1.00 0.00 H new ATOM 579 N GLY A 40 -5.014 6.813 -4.335 1.00 0.00 N ATOM 580 CA GLY A 40 -5.960 7.914 -4.280 1.00 0.00 C ATOM 581 C GLY A 40 -6.090 8.454 -2.854 1.00 0.00 C ATOM 582 O GLY A 40 -5.783 9.617 -2.597 1.00 0.00 O ATOM 0 H GLY A 40 -5.436 5.895 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.634 8.712 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.934 7.579 -4.636 1.00 0.00 H new ATOM 768 N ASP A 52 4.856 11.217 -5.437 1.00 0.00 N ATOM 769 CA ASP A 52 4.258 11.097 -6.756 1.00 0.00 C ATOM 770 C ASP A 52 4.277 9.629 -7.187 1.00 0.00 C ATOM 771 O ASP A 52 3.241 8.966 -7.189 1.00 0.00 O ATOM 772 CB ASP A 52 5.043 11.904 -7.792 1.00 0.00 C ATOM 773 CG ASP A 52 4.876 13.421 -7.691 1.00 0.00 C ATOM 774 OD1 ASP A 52 3.820 13.921 -7.275 1.00 0.00 O ATOM 775 OD2 ASP A 52 5.901 14.108 -8.067 1.00 0.00 O ATOM 0 HA ASP A 52 3.238 11.477 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.101 11.663 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.735 11.585 -8.788 1.00 0.00 H new ATOM 780 N VAL A 53 5.466 9.164 -7.541 1.00 0.00 N ATOM 781 CA VAL A 53 5.633 7.787 -7.973 1.00 0.00 C ATOM 782 C VAL A 53 6.331 6.992 -6.868 1.00 0.00 C ATOM 783 O VAL A 53 6.401 5.765 -6.931 1.00 0.00 O ATOM 784 CB VAL A 53 6.383 7.744 -9.306 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.445 6.317 -9.854 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.748 8.695 -10.323 1.00 0.00 C ATOM 0 H VAL A 53 6.323 9.717 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 53 4.663 7.320 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 53 7.405 8.079 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.983 6.314 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.963 5.676 -9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.433 5.943 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.300 8.645 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.712 8.404 -10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.779 9.714 -9.937 1.00 0.00 H new ATOM 796 N LYS A 54 6.831 7.722 -5.883 1.00 0.00 N ATOM 797 CA LYS A 54 7.522 7.100 -4.766 1.00 0.00 C ATOM 798 C LYS A 54 6.595 6.078 -4.104 1.00 0.00 C ATOM 799 O LYS A 54 7.006 4.954 -3.822 1.00 0.00 O ATOM 800 CB LYS A 54 8.050 8.165 -3.802 1.00 0.00 C ATOM 801 CG LYS A 54 9.477 8.578 -4.170 1.00 0.00 C ATOM 802 CD LYS A 54 9.543 10.064 -4.526 1.00 0.00 C ATOM 803 CE LYS A 54 10.757 10.730 -3.874 1.00 0.00 C ATOM 804 NZ LYS A 54 11.198 11.897 -4.671 1.00 0.00 N ATOM 0 H LYS A 54 6.772 8.739 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 54 8.399 6.556 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.397 9.038 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.030 7.780 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.146 8.370 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.826 7.982 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.597 10.180 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.630 10.561 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.505 11.047 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.572 10.011 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.022 12.337 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.458 11.585 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.424 12.589 -4.730 1.00 0.00 H new ATOM 818 N VAL A 55 5.362 6.505 -3.876 1.00 0.00 N ATOM 819 CA VAL A 55 4.374 5.641 -3.253 1.00 0.00 C ATOM 820 C VAL A 55 4.081 4.458 -4.179 1.00 0.00 C ATOM 821 O VAL A 55 3.947 3.325 -3.720 1.00 0.00 O ATOM 822 CB VAL A 55 3.123 6.447 -2.899 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.470 7.026 -4.155 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.128 5.596 -2.106 1.00 0.00 C ATOM 0 H VAL A 55 5.024 7.438 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 55 4.758 5.234 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 55 3.430 7.280 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.583 7.594 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.176 7.683 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.184 6.214 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.248 6.193 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.830 4.734 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.596 5.255 -1.183 1.00 0.00 H new ATOM 834 N SER A 56 3.991 4.763 -5.465 1.00 0.00 N ATOM 835 CA SER A 56 3.716 3.740 -6.459 1.00 0.00 C ATOM 836 C SER A 56 4.698 2.577 -6.298 1.00 0.00 C ATOM 837 O SER A 56 4.301 1.470 -5.938 1.00 0.00 O ATOM 838 CB SER A 56 3.798 4.312 -7.876 1.00 0.00 C ATOM 839 OG SER A 56 2.858 3.699 -8.754 1.00 0.00 O ATOM 0 H SER A 56 4.104 5.704 -5.842 1.00 0.00 H new ATOM 0 HA SER A 56 2.701 3.375 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.617 5.386 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.806 4.170 -8.267 1.00 0.00 H new ATOM 0 HG SER A 56 3.112 3.880 -9.683 1.00 0.00 H new ATOM 845 N LEU A 57 5.961 2.869 -6.574 1.00 0.00 N ATOM 846 CA LEU A 57 7.002 1.862 -6.464 1.00 0.00 C ATOM 847 C LEU A 57 7.065 1.354 -5.022 1.00 0.00 C ATOM 848 O LEU A 57 6.757 0.193 -4.755 1.00 0.00 O ATOM 849 CB LEU A 57 8.334 2.409 -6.981 1.00 0.00 C ATOM 850 CG LEU A 57 9.277 1.387 -7.618 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.548 1.730 -9.085 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.571 1.257 -6.812 1.00 0.00 C ATOM 0 H LEU A 57 6.286 3.788 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 57 6.769 1.004 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.124 3.187 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.855 2.886 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 57 8.787 0.413 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.221 0.988 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.609 1.731 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.007 2.716 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.223 0.524 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.076 2.222 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.337 0.932 -5.798 1.00 0.00 H new ATOM 864 N PHE A 58 7.465 2.248 -4.130 1.00 0.00 N ATOM 865 CA PHE A 58 7.572 1.905 -2.722 1.00 0.00 C ATOM 866 C PHE A 58 6.460 0.938 -2.308 1.00 0.00 C ATOM 867 O PHE A 58 6.682 0.044 -1.493 1.00 0.00 O ATOM 868 CB PHE A 58 7.421 3.206 -1.932 1.00 0.00 C ATOM 869 CG PHE A 58 7.558 3.034 -0.418 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.550 2.468 0.297 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.690 3.448 0.213 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.677 2.308 1.702 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.818 3.288 1.618 1.00 0.00 C ATOM 874 CZ PHE A 58 7.809 2.722 2.333 1.00 0.00 C ATOM 0 H PHE A 58 7.719 3.210 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 58 8.529 1.421 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.172 3.917 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.446 3.641 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.651 2.140 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.491 3.898 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.876 1.858 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.717 3.616 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.906 2.601 3.402 1.00 0.00 H new ATOM 884 N THR A 59 5.288 1.152 -2.887 1.00 0.00 N ATOM 885 CA THR A 59 4.141 0.311 -2.588 1.00 0.00 C ATOM 886 C THR A 59 4.343 -1.091 -3.166 1.00 0.00 C ATOM 887 O THR A 59 4.389 -2.072 -2.425 1.00 0.00 O ATOM 888 CB THR A 59 2.889 1.012 -3.118 1.00 0.00 C ATOM 889 OG1 THR A 59 2.644 2.048 -2.170 1.00 0.00 O ATOM 890 CG2 THR A 59 1.643 0.128 -3.035 1.00 0.00 C ATOM 0 H THR A 59 5.108 1.895 -3.562 1.00 0.00 H new ATOM 0 HA THR A 59 4.022 0.172 -1.513 1.00 0.00 H new ATOM 0 HB THR A 59 3.052 1.312 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.978 2.899 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.783 0.674 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.797 -0.775 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.460 -0.146 -1.996 1.00 0.00 H new ATOM 898 N ALA A 60 4.457 -1.142 -4.485 1.00 0.00 N ATOM 899 CA ALA A 60 4.653 -2.407 -5.172 1.00 0.00 C ATOM 900 C ALA A 60 5.702 -3.232 -4.423 1.00 0.00 C ATOM 901 O ALA A 60 5.528 -4.434 -4.227 1.00 0.00 O ATOM 902 CB ALA A 60 5.048 -2.144 -6.626 1.00 0.00 C ATOM 0 H ALA A 60 4.417 -0.327 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 60 3.728 -2.983 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.195 -3.094 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.257 -1.581 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.974 -1.570 -6.653 1.00 0.00 H new ATOM 908 N PHE A 61 6.768 -2.553 -4.025 1.00 0.00 N ATOM 909 CA PHE A 61 7.846 -3.208 -3.303 1.00 0.00 C ATOM 910 C PHE A 61 7.351 -3.761 -1.964 1.00 0.00 C ATOM 911 O PHE A 61 7.611 -4.916 -1.632 1.00 0.00 O ATOM 912 CB PHE A 61 8.916 -2.147 -3.039 1.00 0.00 C ATOM 913 CG PHE A 61 10.154 -2.277 -3.929 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.170 -1.698 -5.160 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.238 -2.971 -3.490 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.318 -1.819 -5.986 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.386 -3.092 -4.316 1.00 0.00 C ATOM 918 CZ PHE A 61 12.402 -2.513 -5.547 1.00 0.00 C ATOM 0 H PHE A 61 6.908 -1.556 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 61 8.235 -4.041 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.478 -1.160 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.224 -2.208 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.309 -1.146 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.225 -3.430 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.331 -1.360 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.247 -3.644 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.275 -2.604 -6.176 1.00 0.00 H new ATOM 928 N PHE A 62 6.648 -2.909 -1.232 1.00 0.00 N ATOM 929 CA PHE A 62 6.115 -3.298 0.062 1.00 0.00 C ATOM 930 C PHE A 62 5.046 -4.382 -0.088 1.00 0.00 C ATOM 931 O PHE A 62 5.250 -5.522 0.327 1.00 0.00 O ATOM 932 CB PHE A 62 5.477 -2.051 0.676 1.00 0.00 C ATOM 933 CG PHE A 62 5.789 -1.859 2.162 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.951 -1.261 2.541 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.906 -2.286 3.103 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.241 -1.083 3.919 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.196 -2.107 4.482 1.00 0.00 C ATOM 938 CZ PHE A 62 6.358 -1.510 4.861 1.00 0.00 C ATOM 0 H PHE A 62 6.435 -1.951 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 62 6.913 -3.697 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.818 -1.173 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.396 -2.107 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.653 -0.922 1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.984 -2.761 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.163 -0.608 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.494 -2.445 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.579 -1.375 5.909 1.00 0.00 H new ATOM 948 N LEU A 63 3.930 -3.989 -0.683 1.00 0.00 N ATOM 949 CA LEU A 63 2.828 -4.913 -0.894 1.00 0.00 C ATOM 950 C LEU A 63 3.378 -6.251 -1.391 1.00 0.00 C ATOM 951 O LEU A 63 2.892 -7.310 -1.000 1.00 0.00 O ATOM 952 CB LEU A 63 1.781 -4.295 -1.822 1.00 0.00 C ATOM 953 CG LEU A 63 0.384 -4.106 -1.226 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.316 -2.894 -1.842 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.449 -5.382 -1.367 1.00 0.00 C ATOM 0 H LEU A 63 3.765 -3.043 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 63 2.311 -5.110 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.147 -3.324 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.694 -4.923 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 63 0.492 -3.907 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.306 -2.783 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.271 -1.997 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.412 -3.038 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.437 -5.221 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.551 -5.635 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.047 -6.200 -0.844 1.00 0.00 H new ATOM 967 N ALA A 64 4.386 -6.158 -2.247 1.00 0.00 N ATOM 968 CA ALA A 64 5.007 -7.348 -2.803 1.00 0.00 C ATOM 969 C ALA A 64 5.576 -8.199 -1.666 1.00 0.00 C ATOM 970 O ALA A 64 5.166 -9.343 -1.476 1.00 0.00 O ATOM 971 CB ALA A 64 6.077 -6.940 -3.817 1.00 0.00 C ATOM 0 H ALA A 64 4.788 -5.277 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 64 4.271 -7.953 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.543 -7.833 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.617 -6.363 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.835 -6.333 -3.322 1.00 0.00 H new ATOM 977 N THR A 65 6.513 -7.608 -0.939 1.00 0.00 N ATOM 978 CA THR A 65 7.143 -8.298 0.175 1.00 0.00 C ATOM 979 C THR A 65 6.084 -8.802 1.157 1.00 0.00 C ATOM 980 O THR A 65 5.932 -10.008 1.346 1.00 0.00 O ATOM 981 CB THR A 65 8.155 -7.343 0.810 1.00 0.00 C ATOM 982 OG1 THR A 65 9.180 -7.219 -0.172 1.00 0.00 O ATOM 983 CG2 THR A 65 8.867 -7.961 2.015 1.00 0.00 C ATOM 0 H THR A 65 6.851 -6.659 -1.099 1.00 0.00 H new ATOM 0 HA THR A 65 7.678 -9.186 -0.161 1.00 0.00 H new ATOM 0 HB THR A 65 7.647 -6.429 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.930 -6.528 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.574 -7.242 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.132 -8.225 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.403 -8.857 1.701 1.00 0.00 H new ATOM 991 N ILE A 66 5.379 -7.854 1.757 1.00 0.00 N ATOM 992 CA ILE A 66 4.339 -8.187 2.715 1.00 0.00 C ATOM 993 C ILE A 66 3.511 -9.356 2.176 1.00 0.00 C ATOM 994 O ILE A 66 3.344 -10.368 2.855 1.00 0.00 O ATOM 995 CB ILE A 66 3.507 -6.949 3.055 1.00 0.00 C ATOM 996 CG1 ILE A 66 4.350 -5.908 3.793 1.00 0.00 C ATOM 997 CG2 ILE A 66 2.250 -7.331 3.840 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.563 -6.311 5.254 1.00 0.00 C ATOM 0 H ILE A 66 5.508 -6.855 1.598 1.00 0.00 H new ATOM 0 HA ILE A 66 4.779 -8.515 3.657 1.00 0.00 H new ATOM 0 HB ILE A 66 3.177 -6.493 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.315 -5.799 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.857 -4.937 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.677 -6.433 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.640 -8.008 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.537 -7.825 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.165 -5.554 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.597 -6.396 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.078 -7.271 5.295 1.00 0.00 H new ATOM 1010 N MET A 67 3.014 -9.177 0.961 1.00 0.00 N ATOM 1011 CA MET A 67 2.208 -10.204 0.324 1.00 0.00 C ATOM 1012 C MET A 67 2.852 -11.583 0.482 1.00 0.00 C ATOM 1013 O MET A 67 2.323 -12.442 1.186 1.00 0.00 O ATOM 1014 CB MET A 67 2.051 -9.881 -1.163 1.00 0.00 C ATOM 1015 CG MET A 67 0.886 -8.916 -1.395 1.00 0.00 C ATOM 1016 SD MET A 67 1.069 -8.106 -2.975 1.00 0.00 S ATOM 1017 CE MET A 67 0.727 -9.476 -4.067 1.00 0.00 C ATOM 0 H MET A 67 3.154 -8.336 0.401 1.00 0.00 H new ATOM 0 HA MET A 67 1.230 -10.223 0.806 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.973 -9.441 -1.543 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.883 -10.801 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.059 -9.459 -1.363 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.854 -8.173 -0.598 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.694 -9.121 -5.097 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.512 -10.226 -3.967 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.234 -9.919 -3.805 1.00 0.00 H new ATOM 1027 N GLY A 68 3.983 -11.752 -0.186 1.00 0.00 N ATOM 1028 CA GLY A 68 4.705 -13.012 -0.129 1.00 0.00 C ATOM 1029 C GLY A 68 3.745 -14.199 -0.234 1.00 0.00 C ATOM 1030 O GLY A 68 3.752 -15.086 0.618 1.00 0.00 O ATOM 0 H GLY A 68 4.418 -11.037 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.433 -13.055 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.264 -13.073 0.805 1.00 0.00 H new ATOM 1245 N ALA A 80 2.572 -8.902 -10.687 1.00 0.00 N ATOM 1246 CA ALA A 80 1.949 -8.652 -11.975 1.00 0.00 C ATOM 1247 C ALA A 80 0.925 -7.523 -11.831 1.00 0.00 C ATOM 1248 O ALA A 80 1.049 -6.482 -12.474 1.00 0.00 O ATOM 1249 CB ALA A 80 1.321 -9.945 -12.499 1.00 0.00 C ATOM 0 HA ALA A 80 2.693 -8.332 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.854 -9.757 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.094 -10.705 -12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.567 -10.295 -11.794 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.063 -7.769 -10.983 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.107 -6.786 -10.746 1.00 0.00 C ATOM 1257 C GLY A 81 -0.581 -5.617 -9.911 1.00 0.00 C ATOM 1258 O GLY A 81 -0.925 -4.464 -10.164 1.00 0.00 O ATOM 0 H GLY A 81 -0.163 -8.634 -10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.486 -6.416 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.945 -7.257 -10.232 1.00 0.00 H new ATOM 1262 N LEU A 82 0.246 -5.956 -8.932 1.00 0.00 N ATOM 1263 CA LEU A 82 0.823 -4.948 -8.058 1.00 0.00 C ATOM 1264 C LEU A 82 1.618 -3.946 -8.897 1.00 0.00 C ATOM 1265 O LEU A 82 1.262 -2.771 -8.970 1.00 0.00 O ATOM 1266 CB LEU A 82 1.643 -5.608 -6.948 1.00 0.00 C ATOM 1267 CG LEU A 82 1.806 -4.797 -5.661 1.00 0.00 C ATOM 1268 CD1 LEU A 82 0.534 -4.854 -4.812 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.039 -5.252 -4.878 1.00 0.00 C ATOM 0 H LEU A 82 0.530 -6.914 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 82 0.037 -4.387 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.177 -6.561 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.635 -5.832 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 82 1.965 -3.754 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.677 -4.269 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.301 -4.444 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.319 -5.889 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.131 -4.659 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.936 -6.305 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.930 -5.116 -5.491 1.00 0.00 H new ATOM 1281 N VAL A 83 2.680 -4.448 -9.510 1.00 0.00 N ATOM 1282 CA VAL A 83 3.529 -3.611 -10.342 1.00 0.00 C ATOM 1283 C VAL A 83 2.674 -2.931 -11.413 1.00 0.00 C ATOM 1284 O VAL A 83 2.661 -1.705 -11.515 1.00 0.00 O ATOM 1285 CB VAL A 83 4.671 -4.443 -10.928 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.521 -3.608 -11.887 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.532 -5.050 -9.818 1.00 0.00 C ATOM 0 H VAL A 83 2.972 -5.423 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 83 3.991 -2.824 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 83 4.232 -5.262 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.326 -4.223 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.898 -3.246 -12.704 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.946 -2.759 -11.351 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.337 -5.637 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.957 -4.252 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.916 -5.695 -9.191 1.00 0.00 H new ATOM 1297 N ALA A 84 1.982 -3.756 -12.184 1.00 0.00 N ATOM 1298 CA ALA A 84 1.127 -3.249 -13.244 1.00 0.00 C ATOM 1299 C ALA A 84 0.263 -2.111 -12.697 1.00 0.00 C ATOM 1300 O ALA A 84 -0.089 -1.187 -13.428 1.00 0.00 O ATOM 1301 CB ALA A 84 0.288 -4.394 -13.815 1.00 0.00 C ATOM 0 H ALA A 84 1.996 -4.772 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 84 1.727 -2.845 -14.060 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.353 -4.014 -14.610 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.948 -5.163 -14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.329 -4.822 -13.025 1.00 0.00 H new ATOM 1307 N GLY A 85 -0.053 -2.215 -11.414 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.868 -1.206 -10.760 1.00 0.00 C ATOM 1309 C GLY A 85 -0.077 0.087 -10.549 1.00 0.00 C ATOM 1310 O GLY A 85 -0.572 1.176 -10.833 1.00 0.00 O ATOM 0 H GLY A 85 0.241 -2.983 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.752 -1.001 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.218 -1.583 -9.799 1.00 0.00 H new ATOM 1314 N LEU A 86 1.141 -0.077 -10.053 1.00 0.00 N ATOM 1315 CA LEU A 86 2.006 1.062 -9.800 1.00 0.00 C ATOM 1316 C LEU A 86 2.160 1.875 -11.087 1.00 0.00 C ATOM 1317 O LEU A 86 2.114 3.104 -11.059 1.00 0.00 O ATOM 1318 CB LEU A 86 3.336 0.603 -9.199 1.00 0.00 C ATOM 1319 CG LEU A 86 4.516 0.519 -10.169 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.147 1.897 -10.385 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.542 -0.512 -9.696 1.00 0.00 C ATOM 0 H LEU A 86 1.549 -0.982 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 86 1.559 1.722 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.602 1.286 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.189 -0.379 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 86 4.141 0.181 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.983 1.810 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.402 2.577 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.505 2.287 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.370 -0.552 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.917 -0.227 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.070 -1.493 -9.634 1.00 0.00 H new ATOM 1333 N SER A 87 2.340 1.156 -12.185 1.00 0.00 N ATOM 1334 CA SER A 87 2.502 1.794 -13.480 1.00 0.00 C ATOM 1335 C SER A 87 1.218 2.532 -13.864 1.00 0.00 C ATOM 1336 O SER A 87 1.237 3.739 -14.097 1.00 0.00 O ATOM 1337 CB SER A 87 2.869 0.771 -14.557 1.00 0.00 C ATOM 1338 OG SER A 87 3.254 1.396 -15.778 1.00 0.00 O ATOM 0 H SER A 87 2.377 0.137 -12.204 1.00 0.00 H new ATOM 0 HA SER A 87 3.319 2.512 -13.407 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.685 0.144 -14.198 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.018 0.114 -14.738 1.00 0.00 H new ATOM 0 HG SER A 87 3.482 0.710 -16.439 1.00 0.00 H new ATOM 1344 N LEU A 88 0.132 1.774 -13.917 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.159 2.341 -14.269 1.00 0.00 C ATOM 1346 C LEU A 88 -1.426 3.570 -13.398 1.00 0.00 C ATOM 1347 O LEU A 88 -2.108 4.501 -13.824 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.254 1.276 -14.181 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.593 0.554 -15.487 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -2.959 -0.909 -15.226 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.694 1.292 -16.251 1.00 0.00 C ATOM 0 H LEU A 88 0.120 0.773 -13.722 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.157 2.678 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.951 0.531 -13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.162 1.747 -13.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.705 0.556 -16.119 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.196 -1.399 -16.171 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.117 -1.416 -14.755 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.826 -0.955 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.916 0.758 -17.175 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.593 1.342 -15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.359 2.302 -16.487 1.00 0.00 H new ATOM 1363 N MET A 89 -0.875 3.533 -12.193 1.00 0.00 N ATOM 1364 CA MET A 89 -1.045 4.632 -11.258 1.00 0.00 C ATOM 1365 C MET A 89 -0.308 5.883 -11.742 1.00 0.00 C ATOM 1366 O MET A 89 -0.936 6.877 -12.103 1.00 0.00 O ATOM 1367 CB MET A 89 -0.509 4.222 -9.885 1.00 0.00 C ATOM 1368 CG MET A 89 -1.263 4.941 -8.765 1.00 0.00 C ATOM 1369 SD MET A 89 -0.105 5.686 -7.629 1.00 0.00 S ATOM 1370 CE MET A 89 0.453 7.065 -8.615 1.00 0.00 C ATOM 0 H MET A 89 -0.310 2.759 -11.843 1.00 0.00 H new ATOM 0 HA MET A 89 -2.108 4.864 -11.188 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.606 3.144 -9.760 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.554 4.456 -9.821 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.914 5.706 -9.187 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.902 4.235 -8.235 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.744 7.886 -7.960 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.309 6.760 -9.216 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.353 7.392 -9.272 1.00 0.00 H new ATOM 1380 N MET A 90 1.014 5.792 -11.734 1.00 0.00 N ATOM 1381 CA MET A 90 1.843 6.903 -12.168 1.00 0.00 C ATOM 1382 C MET A 90 1.433 7.382 -13.562 1.00 0.00 C ATOM 1383 O MET A 90 1.752 8.503 -13.956 1.00 0.00 O ATOM 1384 CB MET A 90 3.310 6.468 -12.188 1.00 0.00 C ATOM 1385 CG MET A 90 3.625 5.659 -13.448 1.00 0.00 C ATOM 1386 SD MET A 90 4.636 6.625 -14.557 1.00 0.00 S ATOM 1387 CE MET A 90 6.230 5.885 -14.248 1.00 0.00 C ATOM 0 H MET A 90 1.531 4.966 -11.434 1.00 0.00 H new ATOM 0 HA MET A 90 1.709 7.727 -11.468 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.954 7.346 -12.145 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.528 5.870 -11.303 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.143 4.739 -13.179 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.699 5.370 -13.945 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.984 6.374 -14.865 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.489 6.004 -13.196 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.192 4.824 -14.494 1.00 0.00 H new ATOM 1397 N ILE A 91 0.732 6.509 -14.270 1.00 0.00 N ATOM 1398 CA ILE A 91 0.275 6.829 -15.612 1.00 0.00 C ATOM 1399 C ILE A 91 -1.081 7.532 -15.530 1.00 0.00 C ATOM 1400 O ILE A 91 -1.389 8.392 -16.353 1.00 0.00 O ATOM 1401 CB ILE A 91 0.265 5.574 -16.488 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.690 5.117 -16.807 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.563 5.796 -17.755 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.683 3.791 -17.569 1.00 0.00 C ATOM 0 H ILE A 91 0.469 5.580 -13.940 1.00 0.00 H new ATOM 0 HA ILE A 91 0.965 7.521 -16.095 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.213 4.770 -15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.196 5.879 -17.400 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.256 5.006 -15.882 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.553 4.889 -18.359 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.590 6.039 -17.481 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.137 6.619 -18.329 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.708 3.489 -17.783 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.198 3.026 -16.963 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.137 3.912 -18.505 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.856 7.140 -14.529 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.172 7.722 -14.329 1.00 0.00 C ATOM 1418 C LEU A 92 -3.021 9.113 -13.710 1.00 0.00 C ATOM 1419 O LEU A 92 -3.926 9.941 -13.806 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.056 6.778 -13.512 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.964 7.441 -12.473 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.066 6.482 -12.018 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.149 7.978 -11.296 1.00 0.00 C ATOM 0 H LEU A 92 -1.597 6.426 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.681 7.851 -15.284 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.680 6.209 -14.201 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.413 6.062 -13.000 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.453 8.295 -12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.697 6.977 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.671 6.190 -12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.615 5.595 -11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.818 8.444 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.614 7.157 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.433 8.717 -11.656 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.870 9.327 -13.088 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.589 10.604 -12.454 1.00 0.00 C ATOM 1437 C ARG A 93 -0.837 11.522 -13.419 1.00 0.00 C ATOM 1438 O ARG A 93 -1.207 12.682 -13.594 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.755 10.416 -11.185 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.570 10.761 -9.937 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.187 12.140 -9.396 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.327 12.728 -8.658 1.00 0.00 N ATOM 1443 CZ ARG A 93 -3.426 13.223 -9.244 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.541 13.203 -10.579 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -4.411 13.738 -8.494 1.00 0.00 N ATOM 0 H ARG A 93 -1.122 8.638 -13.010 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.543 11.058 -12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.408 9.385 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.131 11.049 -11.231 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.633 10.743 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.403 10.006 -9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.322 12.054 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.898 12.795 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.273 12.758 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.792 12.811 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.378 13.580 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.324 13.753 -7.478 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.248 14.115 -8.940 1.00 0.00 H new ATOM 1459 N LEU A 94 0.206 10.969 -14.021 1.00 0.00 N ATOM 1460 CA LEU A 94 1.013 11.723 -14.964 1.00 0.00 C ATOM 1461 C LEU A 94 0.124 12.224 -16.104 1.00 0.00 C ATOM 1462 O LEU A 94 0.501 13.138 -16.835 1.00 0.00 O ATOM 1463 CB LEU A 94 2.206 10.889 -15.435 1.00 0.00 C ATOM 1464 CG LEU A 94 3.110 11.544 -16.483 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.583 11.240 -16.202 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.699 11.130 -17.897 1.00 0.00 C ATOM 0 H LEU A 94 0.511 10.007 -13.873 1.00 0.00 H new ATOM 0 HA LEU A 94 1.439 12.603 -14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.814 10.637 -14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.830 9.951 -15.844 1.00 0.00 H new ATOM 0 HG LEU A 94 2.985 12.625 -16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.204 11.717 -16.961 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.853 11.624 -15.218 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.743 10.162 -16.227 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.357 11.609 -18.622 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.777 10.047 -17.996 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.670 11.438 -18.082 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.041 11.602 -16.220 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.987 11.973 -17.258 1.00 0.00 C ATOM 1480 C VAL A 95 -2.171 13.492 -17.256 1.00 0.00 C ATOM 1481 O VAL A 95 -2.000 14.144 -18.285 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.300 11.211 -17.067 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.472 11.975 -17.685 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.202 9.797 -17.643 1.00 0.00 C ATOM 0 H VAL A 95 -1.351 10.844 -15.612 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.605 11.694 -18.240 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.484 11.124 -15.996 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.393 11.412 -17.535 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.562 12.951 -17.208 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.297 12.108 -18.753 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.148 9.277 -17.494 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.982 9.853 -18.709 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.405 9.252 -17.137 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.518 14.012 -16.087 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.727 15.442 -15.937 1.00 0.00 C ATOM 1496 C LEU A 96 -1.550 16.048 -15.171 1.00 0.00 C ATOM 1497 O LEU A 96 -1.177 17.196 -15.406 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.088 15.719 -15.294 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.420 14.897 -14.047 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.124 15.756 -12.995 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.235 13.654 -14.411 1.00 0.00 C ATOM 0 H LEU A 96 -2.659 13.468 -15.236 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.756 15.928 -16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.135 16.776 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.863 15.541 -16.039 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.485 14.552 -13.607 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.349 15.147 -12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.474 16.582 -12.706 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.051 16.152 -13.409 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.458 13.087 -13.507 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.167 13.957 -14.888 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.662 13.031 -15.098 1.00 0.00 H new