USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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 Set 1.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 89:sc= 0.397 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 -164:sc= -0.814! USER MOD Single : A 59 THR OG1 : rot 73:sc= 0.935 USER MOD Single : A 65 THR OG1 : rot 87:sc= 0.0506 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -114:sc= -5.82 (180deg=-11.7!) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -37.052 -1.352 3.463 1.00 0.00 N ATOM 103 CA TYR A 8 -36.724 -2.718 3.091 1.00 0.00 C ATOM 104 C TYR A 8 -35.711 -2.746 1.945 1.00 0.00 C ATOM 105 O TYR A 8 -34.745 -3.506 1.983 1.00 0.00 O ATOM 106 CB TYR A 8 -38.032 -3.352 2.615 1.00 0.00 C ATOM 107 CG TYR A 8 -38.097 -4.868 2.812 1.00 0.00 C ATOM 108 CD1 TYR A 8 -37.216 -5.690 2.139 1.00 0.00 C ATOM 109 CD2 TYR A 8 -39.037 -5.413 3.663 1.00 0.00 C ATOM 110 CE1 TYR A 8 -37.277 -7.116 2.325 1.00 0.00 C ATOM 111 CE2 TYR A 8 -39.098 -6.840 3.848 1.00 0.00 C ATOM 112 CZ TYR A 8 -38.215 -7.621 3.170 1.00 0.00 C ATOM 113 OH TYR A 8 -38.273 -8.969 3.346 1.00 0.00 O ATOM 0 HA TYR A 8 -36.285 -3.250 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -38.863 -2.891 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -38.169 -3.127 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -36.481 -5.263 1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -39.726 -4.770 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -36.593 -7.770 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -39.829 -7.280 4.510 1.00 0.00 H new ATOM 0 HH TYR A 8 -38.990 -9.186 3.978 1.00 0.00 H new ATOM 123 N ALA A 9 -35.966 -1.907 0.951 1.00 0.00 N ATOM 124 CA ALA A 9 -35.089 -1.826 -0.204 1.00 0.00 C ATOM 125 C ALA A 9 -33.781 -1.143 0.201 1.00 0.00 C ATOM 126 O ALA A 9 -32.732 -1.405 -0.385 1.00 0.00 O ATOM 127 CB ALA A 9 -35.804 -1.089 -1.338 1.00 0.00 C ATOM 0 H ALA A 9 -36.768 -1.277 0.922 1.00 0.00 H new ATOM 0 HA ALA A 9 -34.842 -2.823 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -35.146 -1.028 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -36.711 -1.630 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -36.066 -0.083 -1.010 1.00 0.00 H new ATOM 133 N ALA A 10 -33.886 -0.281 1.202 1.00 0.00 N ATOM 134 CA ALA A 10 -32.725 0.441 1.692 1.00 0.00 C ATOM 135 C ALA A 10 -31.774 -0.539 2.383 1.00 0.00 C ATOM 136 O ALA A 10 -30.612 -0.657 1.998 1.00 0.00 O ATOM 137 CB ALA A 10 -33.179 1.567 2.624 1.00 0.00 C ATOM 0 H ALA A 10 -34.758 -0.067 1.687 1.00 0.00 H new ATOM 0 HA ALA A 10 -32.183 0.900 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -32.307 2.109 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -33.828 2.252 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -33.725 1.144 3.467 1.00 0.00 H new ATOM 143 N LEU A 11 -32.304 -1.217 3.390 1.00 0.00 N ATOM 144 CA LEU A 11 -31.517 -2.183 4.138 1.00 0.00 C ATOM 145 C LEU A 11 -30.968 -3.240 3.177 1.00 0.00 C ATOM 146 O LEU A 11 -29.812 -3.644 3.288 1.00 0.00 O ATOM 147 CB LEU A 11 -32.338 -2.766 5.290 1.00 0.00 C ATOM 148 CG LEU A 11 -33.325 -3.874 4.916 1.00 0.00 C ATOM 149 CD1 LEU A 11 -32.642 -5.244 4.932 1.00 0.00 C ATOM 150 CD2 LEU A 11 -34.558 -3.838 5.821 1.00 0.00 C ATOM 0 H LEU A 11 -33.269 -1.117 3.706 1.00 0.00 H new ATOM 0 HA LEU A 11 -30.659 -1.698 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -31.650 -3.157 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -32.894 -1.955 5.761 1.00 0.00 H new ATOM 0 HG LEU A 11 -33.668 -3.697 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -33.365 -6.014 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -31.821 -5.250 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -32.253 -5.445 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -35.243 -4.636 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -34.252 -3.978 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -35.058 -2.875 5.717 1.00 0.00 H new ATOM 162 N VAL A 12 -31.824 -3.658 2.256 1.00 0.00 N ATOM 163 CA VAL A 12 -31.440 -4.660 1.277 1.00 0.00 C ATOM 164 C VAL A 12 -30.185 -4.190 0.538 1.00 0.00 C ATOM 165 O VAL A 12 -29.207 -4.930 0.435 1.00 0.00 O ATOM 166 CB VAL A 12 -32.612 -4.951 0.338 1.00 0.00 C ATOM 167 CG1 VAL A 12 -32.133 -5.651 -0.936 1.00 0.00 C ATOM 168 CG2 VAL A 12 -33.689 -5.777 1.045 1.00 0.00 C ATOM 0 H VAL A 12 -32.782 -3.321 2.167 1.00 0.00 H new ATOM 0 HA VAL A 12 -31.195 -5.601 1.770 1.00 0.00 H new ATOM 0 HB VAL A 12 -33.055 -3.998 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -32.986 -5.847 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -31.419 -5.012 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -31.653 -6.594 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -34.511 -5.970 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -33.263 -6.724 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -34.062 -5.226 1.908 1.00 0.00 H new ATOM 178 N THR A 13 -30.253 -2.962 0.044 1.00 0.00 N ATOM 179 CA THR A 13 -29.134 -2.385 -0.682 1.00 0.00 C ATOM 180 C THR A 13 -27.913 -2.261 0.232 1.00 0.00 C ATOM 181 O THR A 13 -26.777 -2.362 -0.229 1.00 0.00 O ATOM 182 CB THR A 13 -29.592 -1.048 -1.269 1.00 0.00 C ATOM 183 OG1 THR A 13 -30.494 -1.417 -2.308 1.00 0.00 O ATOM 184 CG2 THR A 13 -28.465 -0.313 -1.998 1.00 0.00 C ATOM 0 H THR A 13 -31.065 -2.351 0.132 1.00 0.00 H new ATOM 0 HA THR A 13 -28.821 -3.028 -1.505 1.00 0.00 H new ATOM 0 HB THR A 13 -29.982 -0.415 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 13 -31.399 -1.499 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.843 0.629 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.651 -0.113 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.098 -0.931 -2.817 1.00 0.00 H new ATOM 192 N PHE A 14 -28.189 -2.044 1.509 1.00 0.00 N ATOM 193 CA PHE A 14 -27.126 -1.905 2.491 1.00 0.00 C ATOM 194 C PHE A 14 -26.369 -3.222 2.669 1.00 0.00 C ATOM 195 O PHE A 14 -25.141 -3.251 2.599 1.00 0.00 O ATOM 196 CB PHE A 14 -27.790 -1.528 3.817 1.00 0.00 C ATOM 197 CG PHE A 14 -26.828 -0.931 4.846 1.00 0.00 C ATOM 198 CD1 PHE A 14 -25.945 -1.735 5.498 1.00 0.00 C ATOM 199 CD2 PHE A 14 -26.855 0.403 5.110 1.00 0.00 C ATOM 200 CE1 PHE A 14 -25.052 -1.181 6.453 1.00 0.00 C ATOM 201 CE2 PHE A 14 -25.962 0.957 6.065 1.00 0.00 C ATOM 202 CZ PHE A 14 -25.080 0.153 6.717 1.00 0.00 C ATOM 0 H PHE A 14 -29.133 -1.961 1.887 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.413 -1.149 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -28.588 -0.811 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.257 -2.416 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.923 -2.794 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.556 1.041 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.350 -1.819 6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.983 2.016 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 14 -24.402 0.574 7.445 1.00 0.00 H new ATOM 212 N GLY A 15 -27.133 -4.281 2.897 1.00 0.00 N ATOM 213 CA GLY A 15 -26.549 -5.598 3.086 1.00 0.00 C ATOM 214 C GLY A 15 -25.948 -6.124 1.781 1.00 0.00 C ATOM 215 O GLY A 15 -25.041 -6.954 1.801 1.00 0.00 O ATOM 0 H GLY A 15 -28.151 -4.253 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -25.776 -5.550 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -27.311 -6.290 3.444 1.00 0.00 H new ATOM 219 N SER A 16 -26.478 -5.618 0.676 1.00 0.00 N ATOM 220 CA SER A 16 -26.005 -6.027 -0.635 1.00 0.00 C ATOM 221 C SER A 16 -24.619 -5.435 -0.899 1.00 0.00 C ATOM 222 O SER A 16 -23.683 -6.162 -1.228 1.00 0.00 O ATOM 223 CB SER A 16 -26.983 -5.598 -1.731 1.00 0.00 C ATOM 224 OG SER A 16 -27.436 -6.704 -2.506 1.00 0.00 O ATOM 0 H SER A 16 -27.230 -4.929 0.663 1.00 0.00 H new ATOM 0 HA SER A 16 -25.937 -7.115 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 16 -27.839 -5.098 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 -26.499 -4.872 -2.384 1.00 0.00 H new ATOM 0 HG SER A 16 -28.059 -6.388 -3.193 1.00 0.00 H new ATOM 230 N ILE A 17 -24.532 -4.122 -0.746 1.00 0.00 N ATOM 231 CA ILE A 17 -23.276 -3.425 -0.963 1.00 0.00 C ATOM 232 C ILE A 17 -22.268 -3.853 0.106 1.00 0.00 C ATOM 233 O ILE A 17 -21.217 -4.407 -0.213 1.00 0.00 O ATOM 234 CB ILE A 17 -23.505 -1.914 -1.023 1.00 0.00 C ATOM 235 CG1 ILE A 17 -24.444 -1.546 -2.174 1.00 0.00 C ATOM 236 CG2 ILE A 17 -22.176 -1.160 -1.105 1.00 0.00 C ATOM 237 CD1 ILE A 17 -23.893 -2.044 -3.511 1.00 0.00 C ATOM 0 H ILE A 17 -25.311 -3.522 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 17 -22.851 -3.698 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.993 -1.607 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -25.428 -1.980 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -24.574 -0.464 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.368 -0.088 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -21.574 -1.387 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.638 -1.467 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -24.579 -1.770 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.920 -1.590 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -23.787 -3.128 -3.480 1.00 0.00 H new ATOM 249 N PHE A 18 -22.624 -3.578 1.352 1.00 0.00 N ATOM 250 CA PHE A 18 -21.764 -3.928 2.470 1.00 0.00 C ATOM 251 C PHE A 18 -21.387 -5.410 2.430 1.00 0.00 C ATOM 252 O PHE A 18 -20.225 -5.764 2.620 1.00 0.00 O ATOM 253 CB PHE A 18 -22.558 -3.650 3.749 1.00 0.00 C ATOM 254 CG PHE A 18 -21.686 -3.372 4.975 1.00 0.00 C ATOM 255 CD1 PHE A 18 -21.166 -2.131 5.172 1.00 0.00 C ATOM 256 CD2 PHE A 18 -21.431 -4.367 5.867 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.356 -1.873 6.310 1.00 0.00 C ATOM 258 CE2 PHE A 18 -20.621 -4.109 7.005 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.101 -2.868 7.202 1.00 0.00 C ATOM 0 H PHE A 18 -23.496 -3.117 1.612 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.843 -3.346 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -23.212 -2.795 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -23.200 -4.505 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -21.369 -1.342 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -21.844 -5.352 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.943 -0.888 6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.418 -4.898 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.485 -2.672 8.067 1.00 0.00 H new ATOM 441 N ILE A 30 -5.840 -7.743 -7.964 1.00 0.00 N ATOM 442 CA ILE A 30 -6.640 -6.998 -7.007 1.00 0.00 C ATOM 443 C ILE A 30 -5.713 -6.223 -6.068 1.00 0.00 C ATOM 444 O ILE A 30 -6.094 -5.182 -5.534 1.00 0.00 O ATOM 445 CB ILE A 30 -7.611 -7.931 -6.280 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.567 -7.138 -5.386 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.855 -9.007 -5.498 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.276 -6.040 -6.181 1.00 0.00 C ATOM 0 HA ILE A 30 -7.262 -6.264 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.218 -8.442 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.305 -7.811 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.013 -6.694 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.568 -9.657 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.250 -9.599 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.207 -8.533 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.950 -5.491 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.536 -5.355 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.848 -6.490 -6.992 1.00 0.00 H new ATOM 460 N ALA A 31 -4.514 -6.759 -5.896 1.00 0.00 N ATOM 461 CA ALA A 31 -3.530 -6.131 -5.032 1.00 0.00 C ATOM 462 C ALA A 31 -3.068 -4.816 -5.663 1.00 0.00 C ATOM 463 O ALA A 31 -2.868 -3.824 -4.964 1.00 0.00 O ATOM 464 CB ALA A 31 -2.370 -7.099 -4.789 1.00 0.00 C ATOM 0 H ALA A 31 -4.202 -7.622 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.967 -5.896 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.632 -6.627 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.745 -8.005 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.905 -7.356 -5.741 1.00 0.00 H new ATOM 470 N GLY A 32 -2.913 -4.850 -6.978 1.00 0.00 N ATOM 471 CA GLY A 32 -2.479 -3.673 -7.712 1.00 0.00 C ATOM 472 C GLY A 32 -3.567 -2.598 -7.717 1.00 0.00 C ATOM 473 O GLY A 32 -3.321 -1.458 -7.325 1.00 0.00 O ATOM 0 H GLY A 32 -3.080 -5.674 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.570 -3.274 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.232 -3.950 -8.737 1.00 0.00 H new ATOM 477 N LEU A 33 -4.748 -2.998 -8.164 1.00 0.00 N ATOM 478 CA LEU A 33 -5.875 -2.083 -8.225 1.00 0.00 C ATOM 479 C LEU A 33 -6.039 -1.391 -6.870 1.00 0.00 C ATOM 480 O LEU A 33 -6.089 -0.165 -6.797 1.00 0.00 O ATOM 481 CB LEU A 33 -7.134 -2.813 -8.698 1.00 0.00 C ATOM 482 CG LEU A 33 -8.441 -2.022 -8.612 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.978 -1.697 -10.007 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.473 -2.761 -7.758 1.00 0.00 C ATOM 0 H LEU A 33 -4.949 -3.944 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.691 -1.302 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.985 -3.119 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.244 -3.724 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.234 -1.073 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.907 -1.135 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.244 -1.101 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.166 -2.624 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.393 -2.178 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.682 -3.735 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.080 -2.898 -6.750 1.00 0.00 H new ATOM 496 N PHE A 34 -6.117 -2.209 -5.830 1.00 0.00 N ATOM 497 CA PHE A 34 -6.274 -1.691 -4.481 1.00 0.00 C ATOM 498 C PHE A 34 -5.156 -0.703 -4.140 1.00 0.00 C ATOM 499 O PHE A 34 -5.420 0.391 -3.643 1.00 0.00 O ATOM 500 CB PHE A 34 -6.189 -2.887 -3.530 1.00 0.00 C ATOM 501 CG PHE A 34 -6.497 -2.544 -2.071 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.776 -2.282 -1.690 1.00 0.00 C ATOM 503 CD2 PHE A 34 -5.492 -2.503 -1.156 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.062 -1.964 -0.336 1.00 0.00 C ATOM 505 CE2 PHE A 34 -5.778 -2.185 0.198 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.057 -1.923 0.580 1.00 0.00 C ATOM 0 H PHE A 34 -6.074 -3.226 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.226 -1.167 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.884 -3.656 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.188 -3.315 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.574 -2.316 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.477 -2.712 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.077 -1.755 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.980 -2.151 0.925 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.275 -1.683 1.610 1.00 0.00 H new ATOM 516 N VAL A 35 -3.932 -1.124 -4.421 1.00 0.00 N ATOM 517 CA VAL A 35 -2.773 -0.290 -4.150 1.00 0.00 C ATOM 518 C VAL A 35 -2.946 1.060 -4.851 1.00 0.00 C ATOM 519 O VAL A 35 -2.587 2.099 -4.301 1.00 0.00 O ATOM 520 CB VAL A 35 -1.494 -1.019 -4.566 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.391 -0.025 -4.935 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.026 -1.975 -3.467 1.00 0.00 C ATOM 0 H VAL A 35 -3.717 -2.032 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.686 -0.093 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.720 -1.612 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.507 -0.570 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.724 0.597 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.169 0.607 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.115 -2.480 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.826 -1.412 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.803 -2.715 -3.273 1.00 0.00 H new ATOM 532 N GLY A 36 -3.498 0.999 -6.054 1.00 0.00 N ATOM 533 CA GLY A 36 -3.723 2.203 -6.836 1.00 0.00 C ATOM 534 C GLY A 36 -4.877 3.024 -6.257 1.00 0.00 C ATOM 535 O GLY A 36 -4.856 4.253 -6.308 1.00 0.00 O ATOM 0 H GLY A 36 -3.796 0.135 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.815 2.806 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.945 1.934 -7.869 1.00 0.00 H new ATOM 539 N CYS A 37 -5.857 2.312 -5.721 1.00 0.00 N ATOM 540 CA CYS A 37 -7.018 2.959 -5.134 1.00 0.00 C ATOM 541 C CYS A 37 -6.552 3.782 -3.931 1.00 0.00 C ATOM 542 O CYS A 37 -6.848 4.972 -3.836 1.00 0.00 O ATOM 543 CB CYS A 37 -8.096 1.945 -4.748 1.00 0.00 C ATOM 544 SG CYS A 37 -9.414 1.920 -6.017 1.00 0.00 S ATOM 0 H CYS A 37 -5.871 1.293 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.479 3.619 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.655 0.953 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.519 2.203 -3.777 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.324 1.054 -5.681 1.00 0.00 H new ATOM 550 N LEU A 38 -5.829 3.116 -3.043 1.00 0.00 N ATOM 551 CA LEU A 38 -5.319 3.770 -1.850 1.00 0.00 C ATOM 552 C LEU A 38 -4.303 4.840 -2.256 1.00 0.00 C ATOM 553 O LEU A 38 -4.196 5.878 -1.604 1.00 0.00 O ATOM 554 CB LEU A 38 -4.764 2.737 -0.867 1.00 0.00 C ATOM 555 CG LEU A 38 -3.295 2.353 -1.057 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.370 3.390 -0.417 1.00 0.00 C ATOM 557 CD2 LEU A 38 -3.026 0.942 -0.530 1.00 0.00 C ATOM 0 H LEU A 38 -5.584 2.129 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.125 4.278 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.890 3.123 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.368 1.833 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.079 2.345 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.332 3.093 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.539 4.363 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.579 3.454 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.975 0.693 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.264 0.899 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.647 0.227 -1.070 1.00 0.00 H new ATOM 569 N ALA A 39 -3.584 4.551 -3.330 1.00 0.00 N ATOM 570 CA ALA A 39 -2.581 5.476 -3.831 1.00 0.00 C ATOM 571 C ALA A 39 -3.257 6.792 -4.221 1.00 0.00 C ATOM 572 O ALA A 39 -2.723 7.869 -3.960 1.00 0.00 O ATOM 573 CB ALA A 39 -1.834 4.834 -5.002 1.00 0.00 C ATOM 0 H ALA A 39 -3.676 3.689 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.845 5.700 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.082 5.528 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.348 3.919 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.540 4.598 -5.798 1.00 0.00 H new ATOM 579 N GLY A 40 -4.421 6.662 -4.840 1.00 0.00 N ATOM 580 CA GLY A 40 -5.175 7.827 -5.269 1.00 0.00 C ATOM 581 C GLY A 40 -5.798 8.548 -4.072 1.00 0.00 C ATOM 582 O GLY A 40 -5.613 9.753 -3.904 1.00 0.00 O ATOM 0 H GLY A 40 -4.860 5.767 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.519 8.510 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.959 7.522 -5.963 1.00 0.00 H new ATOM 768 N ASP A 52 3.512 10.124 -4.753 1.00 0.00 N ATOM 769 CA ASP A 52 2.552 9.328 -5.498 1.00 0.00 C ATOM 770 C ASP A 52 3.287 8.201 -6.227 1.00 0.00 C ATOM 771 O ASP A 52 2.940 7.030 -6.077 1.00 0.00 O ATOM 772 CB ASP A 52 1.829 10.176 -6.547 1.00 0.00 C ATOM 773 CG ASP A 52 0.346 9.851 -6.732 1.00 0.00 C ATOM 774 OD1 ASP A 52 -0.145 8.816 -6.256 1.00 0.00 O ATOM 775 OD2 ASP A 52 -0.324 10.723 -7.405 1.00 0.00 O ATOM 0 HA ASP A 52 1.824 8.930 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.923 11.226 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.335 10.051 -7.504 1.00 0.00 H new ATOM 780 N VAL A 53 4.288 8.594 -7.001 1.00 0.00 N ATOM 781 CA VAL A 53 5.074 7.631 -7.753 1.00 0.00 C ATOM 782 C VAL A 53 6.001 6.877 -6.797 1.00 0.00 C ATOM 783 O VAL A 53 6.195 5.671 -6.936 1.00 0.00 O ATOM 784 CB VAL A 53 5.827 8.338 -8.882 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.467 7.325 -9.833 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.905 9.295 -9.640 1.00 0.00 C ATOM 0 H VAL A 53 4.573 9.566 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 53 4.425 6.894 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 53 6.627 8.928 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.996 7.854 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.170 6.702 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.691 6.696 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.465 9.785 -10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.075 8.736 -10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.518 10.048 -8.953 1.00 0.00 H new ATOM 796 N LYS A 54 6.549 7.621 -5.847 1.00 0.00 N ATOM 797 CA LYS A 54 7.451 7.038 -4.867 1.00 0.00 C ATOM 798 C LYS A 54 6.706 5.967 -4.068 1.00 0.00 C ATOM 799 O LYS A 54 7.274 4.926 -3.739 1.00 0.00 O ATOM 800 CB LYS A 54 8.076 8.130 -3.998 1.00 0.00 C ATOM 801 CG LYS A 54 9.602 8.115 -4.110 1.00 0.00 C ATOM 802 CD LYS A 54 10.188 9.495 -3.805 1.00 0.00 C ATOM 803 CE LYS A 54 11.652 9.577 -4.241 1.00 0.00 C ATOM 804 NZ LYS A 54 12.282 10.808 -3.714 1.00 0.00 N ATOM 0 H LYS A 54 6.386 8.622 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 54 8.285 6.543 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.695 9.105 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.783 7.984 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.014 7.380 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.893 7.806 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.608 10.262 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.111 9.699 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.194 8.702 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.715 9.567 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.275 10.848 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.775 11.640 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.239 10.802 -2.675 1.00 0.00 H new ATOM 818 N VAL A 55 5.446 6.258 -3.780 1.00 0.00 N ATOM 819 CA VAL A 55 4.618 5.333 -3.026 1.00 0.00 C ATOM 820 C VAL A 55 4.178 4.187 -3.940 1.00 0.00 C ATOM 821 O VAL A 55 4.016 3.055 -3.488 1.00 0.00 O ATOM 822 CB VAL A 55 3.441 6.079 -2.395 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.505 6.637 -3.470 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.680 5.179 -1.419 1.00 0.00 C ATOM 0 H VAL A 55 4.978 7.122 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 55 5.186 4.895 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 55 3.843 6.921 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.677 7.163 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.055 7.329 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.115 5.818 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.849 5.734 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.297 4.308 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.352 4.853 -0.625 1.00 0.00 H new ATOM 834 N SER A 56 3.997 4.521 -5.209 1.00 0.00 N ATOM 835 CA SER A 56 3.580 3.535 -6.191 1.00 0.00 C ATOM 836 C SER A 56 4.578 2.376 -6.226 1.00 0.00 C ATOM 837 O SER A 56 4.202 1.222 -6.032 1.00 0.00 O ATOM 838 CB SER A 56 3.445 4.162 -7.580 1.00 0.00 C ATOM 839 OG SER A 56 2.299 3.679 -8.275 1.00 0.00 O ATOM 0 H SER A 56 4.132 5.462 -5.580 1.00 0.00 H new ATOM 0 HA SER A 56 2.601 3.155 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.380 5.246 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.340 3.947 -8.163 1.00 0.00 H new ATOM 0 HG SER A 56 2.380 3.894 -9.228 1.00 0.00 H new ATOM 845 N LEU A 57 5.832 2.725 -6.475 1.00 0.00 N ATOM 846 CA LEU A 57 6.888 1.729 -6.538 1.00 0.00 C ATOM 847 C LEU A 57 7.125 1.154 -5.140 1.00 0.00 C ATOM 848 O LEU A 57 7.003 -0.052 -4.932 1.00 0.00 O ATOM 849 CB LEU A 57 8.144 2.319 -7.181 1.00 0.00 C ATOM 850 CG LEU A 57 9.335 1.369 -7.324 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.803 0.868 -5.956 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.005 0.216 -8.274 1.00 0.00 C ATOM 0 H LEU A 57 6.140 3.684 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 57 6.590 0.899 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.881 2.691 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.460 3.179 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 57 10.164 1.923 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.650 0.195 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.104 1.716 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.988 0.336 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.868 -0.444 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.155 -0.345 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.756 0.615 -9.257 1.00 0.00 H new ATOM 864 N PHE A 58 7.459 2.044 -4.218 1.00 0.00 N ATOM 865 CA PHE A 58 7.715 1.641 -2.846 1.00 0.00 C ATOM 866 C PHE A 58 6.648 0.659 -2.355 1.00 0.00 C ATOM 867 O PHE A 58 6.938 -0.230 -1.557 1.00 0.00 O ATOM 868 CB PHE A 58 7.658 2.907 -1.989 1.00 0.00 C ATOM 869 CG PHE A 58 7.928 2.665 -0.502 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.201 2.704 -0.027 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.894 2.412 0.344 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.452 2.480 1.352 1.00 0.00 C ATOM 873 CE2 PHE A 58 7.144 2.188 1.724 1.00 0.00 C ATOM 874 CZ PHE A 58 8.418 2.227 2.199 1.00 0.00 C ATOM 0 H PHE A 58 7.558 3.044 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 58 8.684 1.147 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.387 3.623 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.675 3.364 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.022 2.906 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.883 2.381 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.464 2.510 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.323 1.987 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.609 2.057 3.248 1.00 0.00 H new ATOM 884 N THR A 59 5.436 0.854 -2.854 1.00 0.00 N ATOM 885 CA THR A 59 4.325 -0.002 -2.477 1.00 0.00 C ATOM 886 C THR A 59 4.452 -1.369 -3.153 1.00 0.00 C ATOM 887 O THR A 59 4.531 -2.395 -2.477 1.00 0.00 O ATOM 888 CB THR A 59 3.026 0.728 -2.824 1.00 0.00 C ATOM 889 OG1 THR A 59 2.917 1.736 -1.823 1.00 0.00 O ATOM 890 CG2 THR A 59 1.788 -0.146 -2.610 1.00 0.00 C ATOM 0 H THR A 59 5.199 1.593 -3.516 1.00 0.00 H new ATOM 0 HA THR A 59 4.326 -0.202 -1.406 1.00 0.00 H new ATOM 0 HB THR A 59 3.061 1.059 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.578 2.439 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.894 0.420 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.854 -1.032 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.733 -0.450 -1.565 1.00 0.00 H new ATOM 898 N ALA A 60 4.469 -1.340 -4.477 1.00 0.00 N ATOM 899 CA ALA A 60 4.585 -2.564 -5.251 1.00 0.00 C ATOM 900 C ALA A 60 5.595 -3.495 -4.577 1.00 0.00 C ATOM 901 O ALA A 60 5.348 -4.692 -4.444 1.00 0.00 O ATOM 902 CB ALA A 60 4.977 -2.223 -6.690 1.00 0.00 C ATOM 0 H ALA A 60 4.404 -0.488 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 60 3.629 -3.086 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.064 -3.141 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.213 -1.584 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.933 -1.700 -6.692 1.00 0.00 H new ATOM 908 N PHE A 61 6.712 -2.909 -4.170 1.00 0.00 N ATOM 909 CA PHE A 61 7.760 -3.671 -3.513 1.00 0.00 C ATOM 910 C PHE A 61 7.332 -4.091 -2.105 1.00 0.00 C ATOM 911 O PHE A 61 7.546 -5.234 -1.703 1.00 0.00 O ATOM 912 CB PHE A 61 8.981 -2.754 -3.409 1.00 0.00 C ATOM 913 CG PHE A 61 10.307 -3.446 -3.733 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.502 -4.004 -4.957 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.290 -3.503 -2.795 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.733 -4.645 -5.258 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.521 -4.144 -3.095 1.00 0.00 C ATOM 918 CZ PHE A 61 12.716 -4.702 -4.320 1.00 0.00 C ATOM 0 H PHE A 61 6.914 -1.916 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 61 7.976 -4.575 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.848 -1.910 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.032 -2.347 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.720 -3.960 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.134 -3.061 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.888 -5.087 -6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.302 -4.188 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.652 -5.191 -4.548 1.00 0.00 H new ATOM 928 N PHE A 62 6.736 -3.145 -1.395 1.00 0.00 N ATOM 929 CA PHE A 62 6.276 -3.403 -0.041 1.00 0.00 C ATOM 930 C PHE A 62 5.267 -4.552 -0.015 1.00 0.00 C ATOM 931 O PHE A 62 5.521 -5.593 0.591 1.00 0.00 O ATOM 932 CB PHE A 62 5.590 -2.126 0.449 1.00 0.00 C ATOM 933 CG PHE A 62 5.254 -2.134 1.942 1.00 0.00 C ATOM 934 CD1 PHE A 62 4.241 -2.914 2.407 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.968 -1.361 2.804 1.00 0.00 C ATOM 936 CE1 PHE A 62 3.930 -2.921 3.792 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.656 -1.369 4.189 1.00 0.00 C ATOM 938 CZ PHE A 62 4.644 -2.149 4.654 1.00 0.00 C ATOM 0 H PHE A 62 6.561 -2.198 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 62 7.119 -3.681 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.236 -1.274 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.671 -1.978 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.674 -3.528 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.772 -0.741 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.126 -3.540 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.223 -0.755 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.407 -2.155 5.708 1.00 0.00 H new ATOM 948 N LEU A 63 4.143 -4.326 -0.678 1.00 0.00 N ATOM 949 CA LEU A 63 3.094 -5.330 -0.738 1.00 0.00 C ATOM 950 C LEU A 63 3.679 -6.641 -1.268 1.00 0.00 C ATOM 951 O LEU A 63 3.396 -7.712 -0.733 1.00 0.00 O ATOM 952 CB LEU A 63 1.904 -4.815 -1.551 1.00 0.00 C ATOM 953 CG LEU A 63 0.519 -5.113 -0.975 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.393 -6.587 -0.583 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.199 -4.180 0.195 1.00 0.00 C ATOM 0 H LEU A 63 3.935 -3.462 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 63 2.705 -5.534 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.005 -3.735 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.960 -5.244 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.222 -4.922 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.601 -6.772 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.547 -7.212 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.143 -6.829 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.791 -4.413 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.941 -4.316 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.219 -3.146 -0.148 1.00 0.00 H new ATOM 967 N ALA A 64 4.483 -6.514 -2.314 1.00 0.00 N ATOM 968 CA ALA A 64 5.109 -7.675 -2.922 1.00 0.00 C ATOM 969 C ALA A 64 5.785 -8.512 -1.834 1.00 0.00 C ATOM 970 O ALA A 64 5.669 -9.737 -1.827 1.00 0.00 O ATOM 971 CB ALA A 64 6.093 -7.218 -4.001 1.00 0.00 C ATOM 0 H ALA A 64 4.715 -5.624 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 64 4.362 -8.304 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.563 -8.089 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.559 -6.652 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.859 -6.587 -3.551 1.00 0.00 H new ATOM 977 N THR A 65 6.475 -7.819 -0.941 1.00 0.00 N ATOM 978 CA THR A 65 7.169 -8.484 0.149 1.00 0.00 C ATOM 979 C THR A 65 6.165 -9.035 1.163 1.00 0.00 C ATOM 980 O THR A 65 6.232 -10.207 1.533 1.00 0.00 O ATOM 981 CB THR A 65 8.160 -7.488 0.755 1.00 0.00 C ATOM 982 OG1 THR A 65 9.223 -7.435 -0.192 1.00 0.00 O ATOM 983 CG2 THR A 65 8.822 -8.021 2.028 1.00 0.00 C ATOM 0 H THR A 65 6.569 -6.803 -0.950 1.00 0.00 H new ATOM 0 HA THR A 65 7.730 -9.348 -0.208 1.00 0.00 H new ATOM 0 HB THR A 65 7.644 -6.554 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.018 -6.765 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.516 -7.275 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.057 -8.230 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.366 -8.938 1.799 1.00 0.00 H new ATOM 991 N ILE A 66 5.259 -8.166 1.583 1.00 0.00 N ATOM 992 CA ILE A 66 4.242 -8.551 2.547 1.00 0.00 C ATOM 993 C ILE A 66 3.644 -9.899 2.139 1.00 0.00 C ATOM 994 O ILE A 66 3.608 -10.834 2.938 1.00 0.00 O ATOM 995 CB ILE A 66 3.202 -7.440 2.703 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.786 -6.245 3.461 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.928 -7.969 3.363 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.293 -6.667 4.841 1.00 0.00 C ATOM 0 H ILE A 66 5.207 -7.195 1.274 1.00 0.00 H new ATOM 0 HA ILE A 66 4.684 -8.682 3.535 1.00 0.00 H new ATOM 0 HB ILE A 66 2.927 -7.088 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.604 -5.810 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.026 -5.472 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.206 -7.159 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.502 -8.762 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.167 -8.364 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.703 -5.800 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.468 -7.080 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.070 -7.423 4.728 1.00 0.00 H new ATOM 1010 N MET A 67 3.190 -9.957 0.896 1.00 0.00 N ATOM 1011 CA MET A 67 2.595 -11.176 0.373 1.00 0.00 C ATOM 1012 C MET A 67 3.643 -12.282 0.236 1.00 0.00 C ATOM 1013 O MET A 67 3.437 -13.398 0.711 1.00 0.00 O ATOM 1014 CB MET A 67 1.971 -10.892 -0.995 1.00 0.00 C ATOM 1015 CG MET A 67 0.443 -10.872 -0.907 1.00 0.00 C ATOM 1016 SD MET A 67 -0.265 -11.436 -2.445 1.00 0.00 S ATOM 1017 CE MET A 67 -0.945 -9.903 -3.055 1.00 0.00 C ATOM 0 H MET A 67 3.222 -9.180 0.236 1.00 0.00 H new ATOM 0 HA MET A 67 1.828 -11.513 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.330 -9.934 -1.371 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.288 -11.653 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.109 -11.510 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.096 -9.862 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.428 -10.076 -4.016 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.678 -9.522 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.145 -9.173 -3.178 1.00 0.00 H new ATOM 1027 N GLY A 68 4.743 -11.934 -0.415 1.00 0.00 N ATOM 1028 CA GLY A 68 5.823 -12.884 -0.619 1.00 0.00 C ATOM 1029 C GLY A 68 6.047 -13.147 -2.110 1.00 0.00 C ATOM 1030 O GLY A 68 6.336 -14.274 -2.509 1.00 0.00 O ATOM 0 H GLY A 68 4.910 -11.008 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.740 -12.499 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.589 -13.820 -0.112 1.00 0.00 H new ATOM 1245 N ALA A 80 2.459 -8.669 -11.162 1.00 0.00 N ATOM 1246 CA ALA A 80 1.849 -8.203 -12.396 1.00 0.00 C ATOM 1247 C ALA A 80 1.006 -6.960 -12.105 1.00 0.00 C ATOM 1248 O ALA A 80 1.277 -5.884 -12.634 1.00 0.00 O ATOM 1249 CB ALA A 80 1.027 -9.334 -13.018 1.00 0.00 C ATOM 0 HA ALA A 80 2.613 -7.920 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.569 -8.985 -13.944 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.678 -10.182 -13.232 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.247 -9.643 -12.322 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.001 -7.151 -11.265 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.886 -6.058 -10.898 1.00 0.00 C ATOM 1257 C GLY A 81 -0.178 -5.066 -9.973 1.00 0.00 C ATOM 1258 O GLY A 81 -0.454 -3.868 -10.014 1.00 0.00 O ATOM 0 H GLY A 81 -0.224 -8.046 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.226 -5.543 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.772 -6.454 -10.402 1.00 0.00 H new ATOM 1262 N LEU A 82 0.721 -5.602 -9.161 1.00 0.00 N ATOM 1263 CA LEU A 82 1.471 -4.778 -8.228 1.00 0.00 C ATOM 1264 C LEU A 82 2.250 -3.714 -9.004 1.00 0.00 C ATOM 1265 O LEU A 82 2.052 -2.519 -8.794 1.00 0.00 O ATOM 1266 CB LEU A 82 2.351 -5.651 -7.330 1.00 0.00 C ATOM 1267 CG LEU A 82 2.021 -5.624 -5.837 1.00 0.00 C ATOM 1268 CD1 LEU A 82 0.508 -5.616 -5.610 1.00 0.00 C ATOM 1269 CD2 LEU A 82 2.704 -6.779 -5.103 1.00 0.00 C ATOM 0 H LEU A 82 0.947 -6.596 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 82 0.793 -4.251 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.282 -6.681 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.388 -5.340 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 82 2.415 -4.698 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.301 -5.597 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.074 -4.733 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.070 -6.512 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.453 -6.736 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.363 -7.727 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.784 -6.698 -5.223 1.00 0.00 H new ATOM 1281 N VAL A 83 3.118 -4.188 -9.886 1.00 0.00 N ATOM 1282 CA VAL A 83 3.927 -3.292 -10.695 1.00 0.00 C ATOM 1283 C VAL A 83 3.032 -2.585 -11.715 1.00 0.00 C ATOM 1284 O VAL A 83 2.858 -1.369 -11.656 1.00 0.00 O ATOM 1285 CB VAL A 83 5.076 -4.067 -11.343 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.832 -3.191 -12.344 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.024 -4.630 -10.283 1.00 0.00 C ATOM 0 H VAL A 83 3.279 -5.180 -10.058 1.00 0.00 H new ATOM 0 HA VAL A 83 4.382 -2.521 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 83 4.647 -4.907 -11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.644 -3.766 -12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.149 -2.860 -13.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.243 -2.322 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.832 -5.176 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.442 -3.811 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.475 -5.304 -9.625 1.00 0.00 H new ATOM 1297 N ALA A 84 2.489 -3.378 -12.628 1.00 0.00 N ATOM 1298 CA ALA A 84 1.617 -2.843 -13.659 1.00 0.00 C ATOM 1299 C ALA A 84 0.670 -1.814 -13.038 1.00 0.00 C ATOM 1300 O ALA A 84 0.261 -0.862 -13.700 1.00 0.00 O ATOM 1301 CB ALA A 84 0.866 -3.991 -14.339 1.00 0.00 C ATOM 0 H ALA A 84 2.636 -4.386 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 84 2.199 -2.333 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.211 -3.590 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.582 -4.678 -14.790 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.269 -4.524 -13.599 1.00 0.00 H new ATOM 1307 N GLY A 85 0.349 -2.041 -11.772 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.542 -1.146 -11.054 1.00 0.00 C ATOM 1309 C GLY A 85 0.159 0.172 -10.719 1.00 0.00 C ATOM 1310 O GLY A 85 -0.347 1.247 -11.040 1.00 0.00 O ATOM 0 H GLY A 85 0.690 -2.832 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.428 -0.948 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.882 -1.625 -10.136 1.00 0.00 H new ATOM 1314 N LEU A 86 1.311 0.047 -10.078 1.00 0.00 N ATOM 1315 CA LEU A 86 2.086 1.215 -9.696 1.00 0.00 C ATOM 1316 C LEU A 86 2.212 2.154 -10.898 1.00 0.00 C ATOM 1317 O LEU A 86 2.076 3.368 -10.758 1.00 0.00 O ATOM 1318 CB LEU A 86 3.432 0.794 -9.102 1.00 0.00 C ATOM 1319 CG LEU A 86 4.590 0.658 -10.093 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.237 2.016 -10.370 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.609 -0.374 -9.607 1.00 0.00 C ATOM 0 H LEU A 86 1.727 -0.846 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 86 1.575 1.770 -8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.715 1.522 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.300 -0.162 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 86 4.189 0.294 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.057 1.891 -11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.494 2.694 -10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.621 2.433 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.422 -0.451 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.010 -0.063 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.123 -1.344 -9.503 1.00 0.00 H new ATOM 1333 N SER A 87 2.469 1.555 -12.052 1.00 0.00 N ATOM 1334 CA SER A 87 2.614 2.323 -13.277 1.00 0.00 C ATOM 1335 C SER A 87 1.279 2.970 -13.650 1.00 0.00 C ATOM 1336 O SER A 87 1.205 4.183 -13.844 1.00 0.00 O ATOM 1337 CB SER A 87 3.115 1.442 -14.423 1.00 0.00 C ATOM 1338 OG SER A 87 3.921 2.172 -15.344 1.00 0.00 O ATOM 0 H SER A 87 2.580 0.547 -12.164 1.00 0.00 H new ATOM 0 HA SER A 87 3.354 3.105 -13.105 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.691 0.611 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.263 1.012 -14.949 1.00 0.00 H new ATOM 0 HG SER A 87 4.223 1.574 -16.060 1.00 0.00 H new ATOM 1344 N LEU A 88 0.256 2.133 -13.740 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.072 2.608 -14.086 1.00 0.00 C ATOM 1346 C LEU A 88 -1.443 3.781 -13.176 1.00 0.00 C ATOM 1347 O LEU A 88 -2.275 4.612 -13.537 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.080 1.458 -14.047 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.078 1.401 -15.206 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.426 -0.046 -15.560 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.326 2.230 -14.896 1.00 0.00 C ATOM 0 H LEU A 88 0.321 1.128 -13.579 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.088 2.981 -15.110 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.528 0.518 -14.022 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.640 1.524 -13.114 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.607 1.843 -16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.137 -0.058 -16.386 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.520 -0.577 -15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.869 -0.536 -14.693 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.019 2.173 -15.736 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.809 1.840 -14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.041 3.269 -14.731 1.00 0.00 H new ATOM 1363 N MET A 89 -0.808 3.811 -12.014 1.00 0.00 N ATOM 1364 CA MET A 89 -1.060 4.868 -11.050 1.00 0.00 C ATOM 1365 C MET A 89 -0.324 6.152 -11.439 1.00 0.00 C ATOM 1366 O MET A 89 -0.952 7.145 -11.803 1.00 0.00 O ATOM 1367 CB MET A 89 -0.599 4.415 -9.663 1.00 0.00 C ATOM 1368 CG MET A 89 -1.441 5.068 -8.565 1.00 0.00 C ATOM 1369 SD MET A 89 -0.491 6.333 -7.738 1.00 0.00 S ATOM 1370 CE MET A 89 -0.755 7.700 -8.855 1.00 0.00 C ATOM 0 H MET A 89 -0.119 3.120 -11.718 1.00 0.00 H new ATOM 0 HA MET A 89 -2.130 5.075 -11.037 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.674 3.330 -9.587 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.451 4.672 -9.523 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.343 5.503 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.763 4.315 -7.846 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.189 7.971 -9.328 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.475 7.411 -9.620 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.140 8.555 -8.299 1.00 0.00 H new ATOM 1380 N MET A 90 0.996 6.090 -11.349 1.00 0.00 N ATOM 1381 CA MET A 90 1.824 7.235 -11.686 1.00 0.00 C ATOM 1382 C MET A 90 1.399 7.843 -13.025 1.00 0.00 C ATOM 1383 O MET A 90 1.674 9.011 -13.295 1.00 0.00 O ATOM 1384 CB MET A 90 3.289 6.801 -11.765 1.00 0.00 C ATOM 1385 CG MET A 90 3.560 6.015 -13.049 1.00 0.00 C ATOM 1386 SD MET A 90 4.654 6.942 -14.112 1.00 0.00 S ATOM 1387 CE MET A 90 5.896 5.702 -14.436 1.00 0.00 C ATOM 0 H MET A 90 1.513 5.264 -11.047 1.00 0.00 H new ATOM 0 HA MET A 90 1.701 7.990 -10.909 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.934 7.679 -11.729 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.537 6.187 -10.899 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.006 5.050 -12.807 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.622 5.813 -13.566 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.662 6.117 -15.090 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.352 5.389 -13.496 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.434 4.841 -14.919 1.00 0.00 H new ATOM 1397 N ILE A 91 0.736 7.023 -13.827 1.00 0.00 N ATOM 1398 CA ILE A 91 0.271 7.465 -15.130 1.00 0.00 C ATOM 1399 C ILE A 91 -1.104 8.118 -14.982 1.00 0.00 C ATOM 1400 O ILE A 91 -1.337 9.209 -15.500 1.00 0.00 O ATOM 1401 CB ILE A 91 0.297 6.306 -16.130 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.712 6.075 -16.664 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.712 6.533 -17.258 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.839 4.686 -17.294 1.00 0.00 C ATOM 0 H ILE A 91 0.510 6.055 -13.599 1.00 0.00 H new ATOM 0 HA ILE A 91 0.942 8.222 -15.537 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.003 5.397 -15.608 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.955 6.838 -17.404 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.432 6.178 -15.852 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.673 5.696 -17.955 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.715 6.610 -16.839 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.467 7.455 -17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.854 4.547 -17.666 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.619 3.925 -16.545 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.134 4.596 -18.121 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.981 7.423 -14.271 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.327 7.921 -14.048 1.00 0.00 C ATOM 1418 C LEU A 92 -3.252 9.325 -13.443 1.00 0.00 C ATOM 1419 O LEU A 92 -4.182 10.117 -13.586 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.132 6.930 -13.205 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.065 7.543 -12.158 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.163 6.556 -11.757 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.275 8.045 -10.947 1.00 0.00 C ATOM 0 H LEU A 92 -1.785 6.519 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.863 8.008 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.728 6.312 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.434 6.265 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.557 8.408 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.812 7.017 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.751 6.289 -12.635 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.710 5.658 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.961 8.476 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.738 7.212 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.562 8.805 -11.267 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.137 9.590 -12.779 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.929 10.884 -12.152 1.00 0.00 C ATOM 1437 C ARG A 93 -1.129 11.801 -13.079 1.00 0.00 C ATOM 1438 O ARG A 93 -1.469 12.972 -13.244 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.183 10.738 -10.824 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.095 11.077 -9.643 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.721 12.428 -9.030 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.511 12.663 -7.801 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.215 13.594 -6.884 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.145 14.383 -7.052 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.989 13.736 -5.799 1.00 0.00 N ATOM 0 H ARG A 93 -1.368 8.931 -12.661 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.909 11.321 -11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.813 9.718 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.313 11.395 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.133 11.100 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.020 10.297 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.656 12.449 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.906 13.226 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.332 12.080 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.556 14.275 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.919 15.092 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.803 13.135 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.764 14.445 -5.101 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.083 11.234 -13.662 1.00 0.00 N ATOM 1460 CA LEU A 94 0.767 11.987 -14.569 1.00 0.00 C ATOM 1461 C LEU A 94 -0.070 12.491 -15.746 1.00 0.00 C ATOM 1462 O LEU A 94 0.332 13.418 -16.447 1.00 0.00 O ATOM 1463 CB LEU A 94 1.976 11.149 -14.989 1.00 0.00 C ATOM 1464 CG LEU A 94 2.882 11.766 -16.056 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.225 12.189 -15.457 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.058 10.817 -17.243 1.00 0.00 C ATOM 0 H LEU A 94 0.195 10.262 -13.524 1.00 0.00 H new ATOM 0 HA LEU A 94 1.175 12.865 -14.068 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.578 10.946 -14.103 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.617 10.188 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 94 2.399 12.667 -16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.850 12.624 -16.237 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.057 12.927 -14.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.726 11.318 -15.035 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.706 11.281 -17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.507 9.885 -16.900 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.086 10.608 -17.689 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.220 11.858 -15.927 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.118 12.230 -17.007 1.00 0.00 C ATOM 1480 C VAL A 95 -2.778 13.570 -16.676 1.00 0.00 C ATOM 1481 O VAL A 95 -2.387 14.608 -17.208 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.130 11.110 -17.256 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.219 11.563 -18.231 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.434 9.845 -17.761 1.00 0.00 C ATOM 0 H VAL A 95 -1.551 11.089 -15.343 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.564 12.361 -17.937 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.608 10.872 -16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.926 10.749 -18.391 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.744 12.423 -17.816 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.764 11.840 -19.182 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.176 9.064 -17.930 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.917 10.063 -18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.713 9.505 -17.018 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.769 13.504 -15.799 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.488 14.700 -15.391 1.00 0.00 C ATOM 1496 C LEU A 96 -3.485 15.814 -15.088 1.00 0.00 C ATOM 1497 O LEU A 96 -3.789 16.993 -15.265 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.429 14.387 -14.226 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.822 14.492 -12.825 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.346 15.728 -12.092 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.058 13.209 -12.027 1.00 0.00 C ATOM 0 H LEU A 96 -4.091 12.642 -15.360 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.126 15.056 -16.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.282 15.063 -14.282 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.815 13.376 -14.358 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.744 14.612 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.899 15.779 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.083 16.624 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.430 15.664 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.617 13.311 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.129 13.032 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.597 12.368 -12.545 1.00 0.00 H new