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 Set 1.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl -157:sc= -3.91 (180deg=-5.91!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 89:sc= 0.549 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 175:sc= -3.62! USER MOD Single : A 59 THR OG1 : rot 110:sc= 0.703 USER MOD Single : A 65 THR OG1 : rot 89:sc=0.000916 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 140:sc= -2.79 (180deg=-7.02!) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -13.690 8.685 -28.812 1.00 0.00 N ATOM 103 CA TYR A 8 -14.619 7.855 -28.064 1.00 0.00 C ATOM 104 C TYR A 8 -14.642 6.427 -28.612 1.00 0.00 C ATOM 105 O TYR A 8 -14.362 5.474 -27.886 1.00 0.00 O ATOM 106 CB TYR A 8 -15.999 8.485 -28.258 1.00 0.00 C ATOM 107 CG TYR A 8 -17.013 8.109 -27.176 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.861 8.589 -25.891 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.080 7.290 -27.485 1.00 0.00 C ATOM 110 CE1 TYR A 8 -17.815 8.235 -24.873 1.00 0.00 C ATOM 111 CE2 TYR A 8 -19.034 6.936 -26.466 1.00 0.00 C ATOM 112 CZ TYR A 8 -18.855 7.426 -25.211 1.00 0.00 C ATOM 113 OH TYR A 8 -19.756 7.091 -24.249 1.00 0.00 O ATOM 0 HA TYR A 8 -14.327 7.803 -27.015 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.892 9.570 -28.280 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.391 8.184 -29.229 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.026 9.230 -25.649 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -18.199 6.915 -28.491 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -17.708 8.603 -23.863 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -19.873 6.295 -26.694 1.00 0.00 H new ATOM 0 HH TYR A 8 -20.445 6.510 -24.634 1.00 0.00 H new ATOM 123 N ALA A 9 -14.978 6.323 -29.890 1.00 0.00 N ATOM 124 CA ALA A 9 -15.041 5.027 -30.544 1.00 0.00 C ATOM 125 C ALA A 9 -13.654 4.382 -30.523 1.00 0.00 C ATOM 126 O ALA A 9 -13.531 3.161 -30.620 1.00 0.00 O ATOM 127 CB ALA A 9 -15.583 5.198 -31.964 1.00 0.00 C ATOM 0 H ALA A 9 -15.209 7.115 -30.490 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.722 4.362 -30.013 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.630 4.226 -32.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.582 5.633 -31.922 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.924 5.858 -32.528 1.00 0.00 H new ATOM 133 N ALA A 10 -12.644 5.229 -30.395 1.00 0.00 N ATOM 134 CA ALA A 10 -11.270 4.757 -30.360 1.00 0.00 C ATOM 135 C ALA A 10 -11.055 3.922 -29.097 1.00 0.00 C ATOM 136 O ALA A 10 -10.808 2.719 -29.178 1.00 0.00 O ATOM 137 CB ALA A 10 -10.317 5.951 -30.439 1.00 0.00 C ATOM 0 H ALA A 10 -12.749 6.240 -30.314 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.062 4.117 -31.218 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.287 5.596 -30.413 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.490 6.494 -31.368 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.494 6.615 -29.593 1.00 0.00 H new ATOM 143 N LEU A 11 -11.156 4.592 -27.959 1.00 0.00 N ATOM 144 CA LEU A 11 -10.975 3.926 -26.680 1.00 0.00 C ATOM 145 C LEU A 11 -11.931 2.735 -26.590 1.00 0.00 C ATOM 146 O LEU A 11 -11.555 1.667 -26.109 1.00 0.00 O ATOM 147 CB LEU A 11 -11.126 4.924 -25.530 1.00 0.00 C ATOM 148 CG LEU A 11 -12.560 5.292 -25.145 1.00 0.00 C ATOM 149 CD1 LEU A 11 -13.149 4.263 -24.177 1.00 0.00 C ATOM 150 CD2 LEU A 11 -12.630 6.713 -24.582 1.00 0.00 C ATOM 0 H LEU A 11 -11.361 5.589 -27.896 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.963 3.530 -26.597 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.629 4.513 -24.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.597 5.839 -25.797 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.171 5.273 -26.047 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.169 4.548 -23.919 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.155 3.281 -24.650 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.543 4.226 -23.272 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.661 6.949 -24.316 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.001 6.784 -23.694 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.278 7.420 -25.333 1.00 0.00 H new ATOM 162 N VAL A 12 -13.150 2.959 -27.060 1.00 0.00 N ATOM 163 CA VAL A 12 -14.163 1.918 -27.039 1.00 0.00 C ATOM 164 C VAL A 12 -13.626 0.675 -27.751 1.00 0.00 C ATOM 165 O VAL A 12 -13.756 -0.439 -27.246 1.00 0.00 O ATOM 166 CB VAL A 12 -15.464 2.441 -27.649 1.00 0.00 C ATOM 167 CG1 VAL A 12 -16.323 1.291 -28.180 1.00 0.00 C ATOM 168 CG2 VAL A 12 -16.243 3.286 -26.639 1.00 0.00 C ATOM 0 H VAL A 12 -13.458 3.846 -27.457 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.394 1.631 -26.013 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.204 3.081 -28.492 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -17.242 1.691 -28.608 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.771 0.749 -28.948 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.569 0.613 -27.363 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.164 3.645 -27.099 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.486 2.679 -25.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.635 4.137 -26.331 1.00 0.00 H new ATOM 178 N THR A 13 -13.033 0.908 -28.913 1.00 0.00 N ATOM 179 CA THR A 13 -12.476 -0.179 -29.700 1.00 0.00 C ATOM 180 C THR A 13 -11.346 -0.868 -28.933 1.00 0.00 C ATOM 181 O THR A 13 -11.233 -2.093 -28.953 1.00 0.00 O ATOM 182 CB THR A 13 -12.035 0.392 -31.049 1.00 0.00 C ATOM 183 OG1 THR A 13 -13.250 0.543 -31.777 1.00 0.00 O ATOM 184 CG2 THR A 13 -11.228 -0.613 -31.875 1.00 0.00 C ATOM 0 H THR A 13 -12.926 1.834 -29.328 1.00 0.00 H new ATOM 0 HA THR A 13 -13.219 -0.954 -29.886 1.00 0.00 H new ATOM 0 HB THR A 13 -11.438 1.289 -30.885 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.632 1.427 -31.596 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.940 -0.157 -32.822 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.333 -0.901 -31.324 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.836 -1.497 -32.068 1.00 0.00 H new ATOM 192 N PHE A 14 -10.537 -0.051 -28.274 1.00 0.00 N ATOM 193 CA PHE A 14 -9.419 -0.567 -27.502 1.00 0.00 C ATOM 194 C PHE A 14 -9.906 -1.491 -26.384 1.00 0.00 C ATOM 195 O PHE A 14 -9.465 -2.635 -26.283 1.00 0.00 O ATOM 196 CB PHE A 14 -8.712 0.639 -26.879 1.00 0.00 C ATOM 197 CG PHE A 14 -7.472 0.278 -26.059 1.00 0.00 C ATOM 198 CD1 PHE A 14 -6.345 -0.155 -26.685 1.00 0.00 C ATOM 199 CD2 PHE A 14 -7.497 0.390 -24.704 1.00 0.00 C ATOM 200 CE1 PHE A 14 -5.194 -0.491 -25.924 1.00 0.00 C ATOM 201 CE2 PHE A 14 -6.346 0.055 -23.943 1.00 0.00 C ATOM 202 CZ PHE A 14 -5.219 -0.379 -24.569 1.00 0.00 C ATOM 0 H PHE A 14 -10.633 0.964 -28.259 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.753 -1.140 -28.147 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.422 1.327 -27.673 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.417 1.169 -26.239 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.325 -0.243 -27.761 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.392 0.734 -24.207 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.299 -0.835 -26.421 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.365 0.145 -22.867 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.344 -0.635 -23.990 1.00 0.00 H new ATOM 212 N GLY A 15 -10.808 -0.960 -25.571 1.00 0.00 N ATOM 213 CA GLY A 15 -11.358 -1.723 -24.464 1.00 0.00 C ATOM 214 C GLY A 15 -12.123 -2.948 -24.969 1.00 0.00 C ATOM 215 O GLY A 15 -12.210 -3.960 -24.275 1.00 0.00 O ATOM 0 H GLY A 15 -11.171 -0.011 -25.657 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.553 -2.040 -23.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.024 -1.090 -23.877 1.00 0.00 H new ATOM 219 N SER A 16 -12.658 -2.816 -26.174 1.00 0.00 N ATOM 220 CA SER A 16 -13.413 -3.900 -26.780 1.00 0.00 C ATOM 221 C SER A 16 -12.488 -5.084 -27.069 1.00 0.00 C ATOM 222 O SER A 16 -12.800 -6.220 -26.717 1.00 0.00 O ATOM 223 CB SER A 16 -14.103 -3.439 -28.066 1.00 0.00 C ATOM 224 OG SER A 16 -15.518 -3.595 -27.998 1.00 0.00 O ATOM 0 H SER A 16 -12.584 -1.975 -26.747 1.00 0.00 H new ATOM 0 HA SER A 16 -14.185 -4.213 -26.078 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.862 -2.392 -28.251 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.715 -4.010 -28.910 1.00 0.00 H new ATOM 0 HG SER A 16 -15.922 -3.288 -28.837 1.00 0.00 H new ATOM 230 N ILE A 17 -11.369 -4.777 -27.708 1.00 0.00 N ATOM 231 CA ILE A 17 -10.397 -5.802 -28.049 1.00 0.00 C ATOM 232 C ILE A 17 -9.753 -6.334 -26.767 1.00 0.00 C ATOM 233 O ILE A 17 -9.958 -7.489 -26.398 1.00 0.00 O ATOM 234 CB ILE A 17 -9.388 -5.267 -29.067 1.00 0.00 C ATOM 235 CG1 ILE A 17 -10.089 -4.829 -30.355 1.00 0.00 C ATOM 236 CG2 ILE A 17 -8.284 -6.291 -29.335 1.00 0.00 C ATOM 237 CD1 ILE A 17 -9.149 -4.008 -31.240 1.00 0.00 C ATOM 0 H ILE A 17 -11.114 -3.833 -27.999 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.888 -6.646 -28.534 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.911 -4.383 -28.643 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.434 -5.707 -30.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.972 -4.238 -30.110 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.580 -5.886 -30.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.759 -6.512 -28.406 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.725 -7.207 -29.729 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.672 -3.710 -32.148 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.825 -3.119 -30.700 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.279 -4.610 -31.503 1.00 0.00 H new ATOM 249 N PHE A 18 -8.987 -5.465 -26.123 1.00 0.00 N ATOM 250 CA PHE A 18 -8.311 -5.833 -24.890 1.00 0.00 C ATOM 251 C PHE A 18 -9.216 -6.693 -24.005 1.00 0.00 C ATOM 252 O PHE A 18 -8.825 -7.781 -23.584 1.00 0.00 O ATOM 253 CB PHE A 18 -7.984 -4.533 -24.154 1.00 0.00 C ATOM 254 CG PHE A 18 -6.521 -4.412 -23.722 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.551 -4.217 -24.655 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.191 -4.501 -22.406 1.00 0.00 C ATOM 257 CE1 PHE A 18 -4.193 -4.106 -24.254 1.00 0.00 C ATOM 258 CE2 PHE A 18 -4.834 -4.390 -22.005 1.00 0.00 C ATOM 259 CZ PHE A 18 -3.863 -4.194 -22.938 1.00 0.00 C ATOM 0 H PHE A 18 -8.820 -4.507 -26.432 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.414 -6.409 -25.115 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.232 -3.690 -24.799 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.620 -4.457 -23.272 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.813 -4.147 -25.700 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.962 -4.656 -21.666 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.422 -3.952 -24.995 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.572 -4.461 -20.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.830 -4.108 -22.633 1.00 0.00 H new ATOM 441 N ILE A 30 -6.385 -7.474 -7.475 1.00 0.00 N ATOM 442 CA ILE A 30 -6.497 -6.949 -6.125 1.00 0.00 C ATOM 443 C ILE A 30 -5.253 -6.119 -5.802 1.00 0.00 C ATOM 444 O ILE A 30 -5.354 -5.052 -5.198 1.00 0.00 O ATOM 445 CB ILE A 30 -6.758 -8.080 -5.129 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.419 -7.548 -3.856 1.00 0.00 C ATOM 447 CG2 ILE A 30 -5.472 -8.852 -4.828 1.00 0.00 C ATOM 448 CD1 ILE A 30 -6.374 -6.998 -2.884 1.00 0.00 C ATOM 0 HA ILE A 30 -7.356 -6.283 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.456 -8.782 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.131 -6.763 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.984 -8.346 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.685 -9.651 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.081 -9.282 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.732 -8.174 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.871 -6.626 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.678 -7.791 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.827 -6.184 -3.360 1.00 0.00 H new ATOM 460 N ALA A 31 -4.108 -6.640 -6.217 1.00 0.00 N ATOM 461 CA ALA A 31 -2.846 -5.960 -5.979 1.00 0.00 C ATOM 462 C ALA A 31 -2.937 -4.526 -6.503 1.00 0.00 C ATOM 463 O ALA A 31 -2.862 -3.573 -5.729 1.00 0.00 O ATOM 464 CB ALA A 31 -1.710 -6.749 -6.634 1.00 0.00 C ATOM 0 H ALA A 31 -4.028 -7.525 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.634 -5.908 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.763 -6.239 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.669 -7.751 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.888 -6.820 -7.707 1.00 0.00 H new ATOM 470 N GLY A 32 -3.098 -4.417 -7.813 1.00 0.00 N ATOM 471 CA GLY A 32 -3.200 -3.115 -8.450 1.00 0.00 C ATOM 472 C GLY A 32 -4.295 -2.270 -7.796 1.00 0.00 C ATOM 473 O GLY A 32 -4.028 -1.175 -7.303 1.00 0.00 O ATOM 0 H GLY A 32 -3.160 -5.210 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.244 -2.596 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.417 -3.241 -9.511 1.00 0.00 H new ATOM 477 N LEU A 33 -5.505 -2.810 -7.813 1.00 0.00 N ATOM 478 CA LEU A 33 -6.641 -2.120 -7.227 1.00 0.00 C ATOM 479 C LEU A 33 -6.210 -1.456 -5.918 1.00 0.00 C ATOM 480 O LEU A 33 -6.322 -0.240 -5.768 1.00 0.00 O ATOM 481 CB LEU A 33 -7.827 -3.075 -7.071 1.00 0.00 C ATOM 482 CG LEU A 33 -8.966 -2.588 -6.174 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.147 -2.088 -7.009 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.385 -3.676 -5.182 1.00 0.00 C ATOM 0 H LEU A 33 -5.723 -3.718 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.986 -1.326 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.234 -3.282 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.457 -4.020 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.604 -1.742 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.943 -1.748 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.822 -1.261 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.519 -2.899 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.196 -3.305 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.722 -4.556 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.535 -3.943 -4.554 1.00 0.00 H new ATOM 496 N PHE A 34 -5.727 -2.283 -5.003 1.00 0.00 N ATOM 497 CA PHE A 34 -5.279 -1.792 -3.711 1.00 0.00 C ATOM 498 C PHE A 34 -4.322 -0.610 -3.877 1.00 0.00 C ATOM 499 O PHE A 34 -4.497 0.430 -3.242 1.00 0.00 O ATOM 500 CB PHE A 34 -4.537 -2.942 -3.028 1.00 0.00 C ATOM 501 CG PHE A 34 -4.604 -2.906 -1.500 1.00 0.00 C ATOM 502 CD1 PHE A 34 -5.706 -3.376 -0.857 1.00 0.00 C ATOM 503 CD2 PHE A 34 -3.563 -2.402 -0.785 1.00 0.00 C ATOM 504 CE1 PHE A 34 -5.769 -3.342 0.561 1.00 0.00 C ATOM 505 CE2 PHE A 34 -3.625 -2.369 0.633 1.00 0.00 C ATOM 506 CZ PHE A 34 -4.727 -2.839 1.276 1.00 0.00 C ATOM 0 H PHE A 34 -5.636 -3.291 -5.131 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.133 -1.454 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.953 -3.887 -3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.492 -2.920 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.533 -3.775 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.689 -2.027 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.644 -3.715 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.797 -1.971 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.775 -2.813 2.355 1.00 0.00 H new ATOM 516 N VAL A 35 -3.330 -0.808 -4.733 1.00 0.00 N ATOM 517 CA VAL A 35 -2.344 0.229 -4.989 1.00 0.00 C ATOM 518 C VAL A 35 -3.055 1.491 -5.481 1.00 0.00 C ATOM 519 O VAL A 35 -2.602 2.605 -5.221 1.00 0.00 O ATOM 520 CB VAL A 35 -1.289 -0.284 -5.971 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.371 0.850 -6.432 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.481 -1.429 -5.359 1.00 0.00 C ATOM 0 H VAL A 35 -3.188 -1.671 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.816 0.490 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.808 -0.672 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.370 0.458 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.964 1.620 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.136 1.281 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.262 -1.775 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.022 -1.078 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.150 -2.251 -5.104 1.00 0.00 H new ATOM 532 N GLY A 36 -4.158 1.276 -6.184 1.00 0.00 N ATOM 533 CA GLY A 36 -4.935 2.382 -6.714 1.00 0.00 C ATOM 534 C GLY A 36 -5.656 3.133 -5.593 1.00 0.00 C ATOM 535 O GLY A 36 -5.697 4.363 -5.590 1.00 0.00 O ATOM 0 H GLY A 36 -4.531 0.351 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.279 3.067 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.664 2.007 -7.433 1.00 0.00 H new ATOM 539 N CYS A 37 -6.207 2.362 -4.667 1.00 0.00 N ATOM 540 CA CYS A 37 -6.924 2.939 -3.543 1.00 0.00 C ATOM 541 C CYS A 37 -5.937 3.765 -2.715 1.00 0.00 C ATOM 542 O CYS A 37 -6.141 4.960 -2.508 1.00 0.00 O ATOM 543 CB CYS A 37 -7.616 1.865 -2.701 1.00 0.00 C ATOM 544 SG CYS A 37 -9.320 2.390 -2.292 1.00 0.00 S ATOM 0 H CYS A 37 -6.171 1.343 -4.672 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.719 3.587 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.639 0.922 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.051 1.690 -1.785 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.898 1.470 -1.579 1.00 0.00 H new ATOM 550 N LEU A 38 -4.887 3.094 -2.265 1.00 0.00 N ATOM 551 CA LEU A 38 -3.867 3.750 -1.465 1.00 0.00 C ATOM 552 C LEU A 38 -3.242 4.888 -2.275 1.00 0.00 C ATOM 553 O LEU A 38 -2.854 5.912 -1.717 1.00 0.00 O ATOM 554 CB LEU A 38 -2.849 2.730 -0.952 1.00 0.00 C ATOM 555 CG LEU A 38 -2.192 1.846 -2.014 1.00 0.00 C ATOM 556 CD1 LEU A 38 -0.835 2.412 -2.437 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.083 0.398 -1.531 1.00 0.00 C ATOM 0 H LEU A 38 -4.721 2.103 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.311 4.197 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.065 3.266 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.345 2.085 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.830 1.844 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.390 1.764 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.970 3.412 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.176 2.464 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.613 -0.209 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.480 0.361 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.079 0.009 -1.320 1.00 0.00 H new ATOM 569 N ALA A 39 -3.165 4.668 -3.580 1.00 0.00 N ATOM 570 CA ALA A 39 -2.594 5.662 -4.473 1.00 0.00 C ATOM 571 C ALA A 39 -3.347 6.984 -4.306 1.00 0.00 C ATOM 572 O ALA A 39 -2.738 8.020 -4.044 1.00 0.00 O ATOM 573 CB ALA A 39 -2.640 5.143 -5.911 1.00 0.00 C ATOM 0 H ALA A 39 -3.488 3.817 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.548 5.844 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.212 5.889 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.067 4.219 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.675 4.951 -6.196 1.00 0.00 H new ATOM 579 N GLY A 40 -4.660 6.904 -4.465 1.00 0.00 N ATOM 580 CA GLY A 40 -5.502 8.081 -4.335 1.00 0.00 C ATOM 581 C GLY A 40 -5.397 8.678 -2.930 1.00 0.00 C ATOM 582 O GLY A 40 -5.138 9.871 -2.776 1.00 0.00 O ATOM 0 H GLY A 40 -5.161 6.043 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.208 8.827 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.538 7.816 -4.545 1.00 0.00 H new ATOM 768 N ASP A 52 3.809 10.589 -5.688 1.00 0.00 N ATOM 769 CA ASP A 52 2.959 9.477 -6.081 1.00 0.00 C ATOM 770 C ASP A 52 3.834 8.273 -6.436 1.00 0.00 C ATOM 771 O ASP A 52 3.737 7.223 -5.803 1.00 0.00 O ATOM 772 CB ASP A 52 2.121 9.832 -7.310 1.00 0.00 C ATOM 773 CG ASP A 52 0.804 10.551 -7.010 1.00 0.00 C ATOM 774 OD1 ASP A 52 -0.135 9.960 -6.457 1.00 0.00 O ATOM 775 OD2 ASP A 52 0.764 11.789 -7.373 1.00 0.00 O ATOM 0 HA ASP A 52 2.296 9.248 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.719 10.461 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.901 8.916 -7.858 1.00 0.00 H new ATOM 780 N VAL A 53 4.667 8.466 -7.448 1.00 0.00 N ATOM 781 CA VAL A 53 5.559 7.409 -7.895 1.00 0.00 C ATOM 782 C VAL A 53 6.282 6.813 -6.686 1.00 0.00 C ATOM 783 O VAL A 53 6.711 5.660 -6.721 1.00 0.00 O ATOM 784 CB VAL A 53 6.516 7.947 -8.959 1.00 0.00 C ATOM 785 CG1 VAL A 53 7.654 6.959 -9.224 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.768 8.281 -10.252 1.00 0.00 C ATOM 0 H VAL A 53 4.743 9.338 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 53 4.993 6.604 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 53 6.955 8.869 -8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 53 8.320 7.366 -9.985 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.213 6.793 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.240 6.013 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.472 8.662 -10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.288 7.382 -10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.011 9.038 -10.049 1.00 0.00 H new ATOM 796 N LYS A 54 6.396 7.624 -5.645 1.00 0.00 N ATOM 797 CA LYS A 54 7.061 7.191 -4.427 1.00 0.00 C ATOM 798 C LYS A 54 6.200 6.136 -3.729 1.00 0.00 C ATOM 799 O LYS A 54 6.722 5.163 -3.188 1.00 0.00 O ATOM 800 CB LYS A 54 7.397 8.394 -3.544 1.00 0.00 C ATOM 801 CG LYS A 54 8.192 7.962 -2.310 1.00 0.00 C ATOM 802 CD LYS A 54 9.599 8.563 -2.327 1.00 0.00 C ATOM 803 CE LYS A 54 10.597 7.641 -1.624 1.00 0.00 C ATOM 804 NZ LYS A 54 11.986 8.049 -1.934 1.00 0.00 N ATOM 0 H LYS A 54 6.039 8.579 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 54 8.016 6.720 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.973 9.120 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.477 8.890 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.669 8.277 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.257 6.874 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.915 8.729 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.589 9.536 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.434 7.673 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.435 6.611 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.651 7.413 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.142 7.996 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.142 9.025 -1.610 1.00 0.00 H new ATOM 818 N VAL A 55 4.895 6.365 -3.764 1.00 0.00 N ATOM 819 CA VAL A 55 3.957 5.447 -3.142 1.00 0.00 C ATOM 820 C VAL A 55 3.740 4.245 -4.062 1.00 0.00 C ATOM 821 O VAL A 55 3.426 3.150 -3.597 1.00 0.00 O ATOM 822 CB VAL A 55 2.658 6.179 -2.797 1.00 0.00 C ATOM 823 CG1 VAL A 55 1.665 6.110 -3.959 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.040 5.624 -1.513 1.00 0.00 C ATOM 0 H VAL A 55 4.466 7.174 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 55 4.360 5.068 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 55 2.900 7.228 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.751 6.638 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.105 6.575 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.432 5.068 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.118 6.162 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.820 4.565 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.741 5.750 -0.688 1.00 0.00 H new ATOM 834 N SER A 56 3.914 4.489 -5.353 1.00 0.00 N ATOM 835 CA SER A 56 3.741 3.440 -6.343 1.00 0.00 C ATOM 836 C SER A 56 4.799 2.353 -6.145 1.00 0.00 C ATOM 837 O SER A 56 4.469 1.174 -6.029 1.00 0.00 O ATOM 838 CB SER A 56 3.819 4.005 -7.763 1.00 0.00 C ATOM 839 OG SER A 56 2.815 3.455 -8.612 1.00 0.00 O ATOM 0 H SER A 56 4.173 5.398 -5.736 1.00 0.00 H new ATOM 0 HA SER A 56 2.752 3.003 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.711 5.089 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.803 3.796 -8.183 1.00 0.00 H new ATOM 0 HG SER A 56 2.850 3.894 -9.487 1.00 0.00 H new ATOM 845 N LEU A 57 6.050 2.789 -6.113 1.00 0.00 N ATOM 846 CA LEU A 57 7.159 1.868 -5.931 1.00 0.00 C ATOM 847 C LEU A 57 7.128 1.315 -4.505 1.00 0.00 C ATOM 848 O LEU A 57 7.196 0.103 -4.304 1.00 0.00 O ATOM 849 CB LEU A 57 8.482 2.542 -6.301 1.00 0.00 C ATOM 850 CG LEU A 57 9.383 1.769 -7.266 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.888 2.675 -8.390 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.531 1.088 -6.518 1.00 0.00 C ATOM 0 H LEU A 57 6.320 3.768 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 57 7.062 1.017 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.261 3.514 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.041 2.728 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 57 8.790 0.981 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.526 2.100 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.039 3.072 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.459 3.500 -7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.156 0.546 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.131 1.842 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.125 0.391 -5.785 1.00 0.00 H new ATOM 864 N PHE A 58 7.026 2.229 -3.552 1.00 0.00 N ATOM 865 CA PHE A 58 6.985 1.848 -2.150 1.00 0.00 C ATOM 866 C PHE A 58 5.861 0.845 -1.887 1.00 0.00 C ATOM 867 O PHE A 58 5.967 0.009 -0.991 1.00 0.00 O ATOM 868 CB PHE A 58 6.714 3.122 -1.348 1.00 0.00 C ATOM 869 CG PHE A 58 6.686 2.910 0.167 1.00 0.00 C ATOM 870 CD1 PHE A 58 5.535 2.519 0.778 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.812 3.111 0.903 1.00 0.00 C ATOM 872 CE1 PHE A 58 5.509 2.321 2.184 1.00 0.00 C ATOM 873 CE2 PHE A 58 7.786 2.913 2.309 1.00 0.00 C ATOM 874 CZ PHE A 58 6.635 2.523 2.920 1.00 0.00 C ATOM 0 H PHE A 58 6.970 3.233 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 58 7.927 1.380 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.480 3.859 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.759 3.541 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.641 2.359 0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.726 3.421 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.595 2.010 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.680 3.072 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.615 2.374 3.989 1.00 0.00 H new ATOM 884 N THR A 59 4.809 0.960 -2.685 1.00 0.00 N ATOM 885 CA THR A 59 3.666 0.073 -2.550 1.00 0.00 C ATOM 886 C THR A 59 3.995 -1.310 -3.115 1.00 0.00 C ATOM 887 O THR A 59 3.838 -2.318 -2.428 1.00 0.00 O ATOM 888 CB THR A 59 2.469 0.739 -3.231 1.00 0.00 C ATOM 889 OG1 THR A 59 2.030 1.713 -2.287 1.00 0.00 O ATOM 890 CG2 THR A 59 1.275 -0.207 -3.371 1.00 0.00 C ATOM 0 H THR A 59 4.724 1.654 -3.427 1.00 0.00 H new ATOM 0 HA THR A 59 3.413 -0.091 -1.502 1.00 0.00 H new ATOM 0 HB THR A 59 2.766 1.098 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.233 2.610 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.453 0.315 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.564 -1.071 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.957 -0.540 -2.383 1.00 0.00 H new ATOM 898 N ALA A 60 4.445 -1.313 -4.361 1.00 0.00 N ATOM 899 CA ALA A 60 4.797 -2.556 -5.026 1.00 0.00 C ATOM 900 C ALA A 60 5.774 -3.341 -4.148 1.00 0.00 C ATOM 901 O ALA A 60 5.608 -4.543 -3.950 1.00 0.00 O ATOM 902 CB ALA A 60 5.374 -2.250 -6.410 1.00 0.00 C ATOM 0 H ALA A 60 4.574 -0.475 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 60 3.913 -3.176 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.638 -3.183 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.631 -1.718 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.265 -1.631 -6.304 1.00 0.00 H new ATOM 908 N PHE A 61 6.771 -2.628 -3.645 1.00 0.00 N ATOM 909 CA PHE A 61 7.775 -3.242 -2.793 1.00 0.00 C ATOM 910 C PHE A 61 7.149 -3.768 -1.500 1.00 0.00 C ATOM 911 O PHE A 61 7.401 -4.904 -1.101 1.00 0.00 O ATOM 912 CB PHE A 61 8.794 -2.155 -2.447 1.00 0.00 C ATOM 913 CG PHE A 61 10.105 -2.260 -3.229 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.902 -3.351 -3.077 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.473 -1.261 -4.076 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.119 -3.448 -3.803 1.00 0.00 C ATOM 917 CE2 PHE A 61 11.690 -1.358 -4.801 1.00 0.00 C ATOM 918 CZ PHE A 61 12.487 -2.450 -4.649 1.00 0.00 C ATOM 0 H PHE A 61 6.905 -1.631 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 61 8.237 -4.083 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.347 -1.179 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.014 -2.204 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.610 -4.144 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.840 -0.395 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.752 -4.315 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.983 -0.565 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.412 -2.524 -5.201 1.00 0.00 H new ATOM 928 N PHE A 62 6.345 -2.916 -0.881 1.00 0.00 N ATOM 929 CA PHE A 62 5.680 -3.280 0.359 1.00 0.00 C ATOM 930 C PHE A 62 4.730 -4.460 0.146 1.00 0.00 C ATOM 931 O PHE A 62 5.009 -5.574 0.585 1.00 0.00 O ATOM 932 CB PHE A 62 4.870 -2.062 0.807 1.00 0.00 C ATOM 933 CG PHE A 62 3.917 -2.342 1.971 1.00 0.00 C ATOM 934 CD1 PHE A 62 4.372 -2.285 3.252 1.00 0.00 C ATOM 935 CD2 PHE A 62 2.615 -2.649 1.725 1.00 0.00 C ATOM 936 CE1 PHE A 62 3.488 -2.545 4.332 1.00 0.00 C ATOM 937 CE2 PHE A 62 1.731 -2.909 2.805 1.00 0.00 C ATOM 938 CZ PHE A 62 2.186 -2.852 4.086 1.00 0.00 C ATOM 0 H PHE A 62 6.139 -1.975 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 62 6.419 -3.573 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.558 -1.268 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.293 -1.691 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.406 -2.042 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.254 -2.695 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.849 -2.499 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.697 -3.152 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.513 -3.050 4.907 1.00 0.00 H new ATOM 948 N LEU A 63 3.626 -4.175 -0.528 1.00 0.00 N ATOM 949 CA LEU A 63 2.632 -5.198 -0.805 1.00 0.00 C ATOM 950 C LEU A 63 3.339 -6.494 -1.205 1.00 0.00 C ATOM 951 O LEU A 63 2.969 -7.574 -0.747 1.00 0.00 O ATOM 952 CB LEU A 63 1.626 -4.701 -1.844 1.00 0.00 C ATOM 953 CG LEU A 63 0.150 -4.801 -1.451 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.187 -3.812 -0.333 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.756 -4.618 -2.671 1.00 0.00 C ATOM 0 H LEU A 63 3.398 -3.249 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 63 2.049 -5.415 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.852 -3.659 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.775 -5.266 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.033 -5.802 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.241 -3.903 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.424 -4.031 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.016 -2.796 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.799 -4.694 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.578 -3.638 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.537 -5.392 -3.406 1.00 0.00 H new ATOM 967 N ALA A 64 4.344 -6.345 -2.055 1.00 0.00 N ATOM 968 CA ALA A 64 5.107 -7.490 -2.522 1.00 0.00 C ATOM 969 C ALA A 64 5.657 -8.256 -1.317 1.00 0.00 C ATOM 970 O ALA A 64 5.517 -9.475 -1.235 1.00 0.00 O ATOM 971 CB ALA A 64 6.213 -7.016 -3.467 1.00 0.00 C ATOM 0 H ALA A 64 4.648 -5.448 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 64 4.470 -8.173 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.785 -7.875 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.768 -6.504 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.875 -6.331 -2.938 1.00 0.00 H new ATOM 977 N THR A 65 6.273 -7.509 -0.412 1.00 0.00 N ATOM 978 CA THR A 65 6.845 -8.103 0.784 1.00 0.00 C ATOM 979 C THR A 65 5.745 -8.714 1.655 1.00 0.00 C ATOM 980 O THR A 65 5.785 -9.903 1.968 1.00 0.00 O ATOM 981 CB THR A 65 7.660 -7.026 1.503 1.00 0.00 C ATOM 982 OG1 THR A 65 8.909 -7.020 0.816 1.00 0.00 O ATOM 983 CG2 THR A 65 8.024 -7.425 2.935 1.00 0.00 C ATOM 0 H THR A 65 6.388 -6.498 -0.483 1.00 0.00 H new ATOM 0 HA THR A 65 7.514 -8.927 0.535 1.00 0.00 H new ATOM 0 HB THR A 65 7.096 -6.094 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.864 -6.398 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.602 -6.626 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.113 -7.594 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.617 -8.339 2.918 1.00 0.00 H new ATOM 991 N ILE A 66 4.788 -7.873 2.021 1.00 0.00 N ATOM 992 CA ILE A 66 3.680 -8.316 2.849 1.00 0.00 C ATOM 993 C ILE A 66 3.170 -9.663 2.333 1.00 0.00 C ATOM 994 O ILE A 66 3.105 -10.635 3.084 1.00 0.00 O ATOM 995 CB ILE A 66 2.599 -7.236 2.919 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.116 -5.989 3.639 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.321 -7.779 3.561 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.926 -6.110 5.152 1.00 0.00 C ATOM 0 H ILE A 66 4.758 -6.888 1.759 1.00 0.00 H new ATOM 0 HA ILE A 66 4.010 -8.472 3.876 1.00 0.00 H new ATOM 0 HB ILE A 66 2.347 -6.940 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.172 -5.846 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.589 -5.108 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.569 -6.991 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.943 -8.613 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.539 -8.121 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.302 -5.210 5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.866 -6.229 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.474 -6.977 5.519 1.00 0.00 H new ATOM 1010 N MET A 67 2.820 -9.678 1.055 1.00 0.00 N ATOM 1011 CA MET A 67 2.318 -10.889 0.430 1.00 0.00 C ATOM 1012 C MET A 67 3.343 -12.021 0.526 1.00 0.00 C ATOM 1013 O MET A 67 3.048 -13.086 1.066 1.00 0.00 O ATOM 1014 CB MET A 67 1.999 -10.611 -1.040 1.00 0.00 C ATOM 1015 CG MET A 67 0.513 -10.832 -1.331 1.00 0.00 C ATOM 1016 SD MET A 67 -0.323 -9.261 -1.461 1.00 0.00 S ATOM 1017 CE MET A 67 -1.535 -9.447 -0.163 1.00 0.00 C ATOM 0 H MET A 67 2.874 -8.870 0.435 1.00 0.00 H new ATOM 0 HA MET A 67 1.414 -11.198 0.954 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.273 -9.585 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.598 -11.263 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.395 -11.394 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.063 -11.428 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.148 -8.548 -0.106 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.170 -10.306 -0.379 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.028 -9.601 0.789 1.00 0.00 H new ATOM 1027 N GLY A 68 4.526 -11.751 -0.007 1.00 0.00 N ATOM 1028 CA GLY A 68 5.596 -12.734 0.012 1.00 0.00 C ATOM 1029 C GLY A 68 5.361 -13.820 -1.040 1.00 0.00 C ATOM 1030 O GLY A 68 5.796 -14.958 -0.869 1.00 0.00 O ATOM 0 H GLY A 68 4.767 -10.866 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.550 -12.242 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.660 -13.188 1.001 1.00 0.00 H new ATOM 1245 N ALA A 80 1.851 -9.398 -10.568 1.00 0.00 N ATOM 1246 CA ALA A 80 1.856 -8.619 -11.795 1.00 0.00 C ATOM 1247 C ALA A 80 1.039 -7.342 -11.586 1.00 0.00 C ATOM 1248 O ALA A 80 1.440 -6.266 -12.026 1.00 0.00 O ATOM 1249 CB ALA A 80 1.318 -9.473 -12.944 1.00 0.00 C ATOM 0 HA ALA A 80 2.872 -8.322 -12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.322 -8.889 -13.864 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.949 -10.353 -13.070 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.299 -9.787 -12.718 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.092 -7.504 -10.914 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.968 -6.378 -10.642 1.00 0.00 C ATOM 1257 C GLY A 81 -0.286 -5.361 -9.724 1.00 0.00 C ATOM 1258 O GLY A 81 -0.608 -4.175 -9.757 1.00 0.00 O ATOM 0 H GLY A 81 -0.421 -8.398 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.249 -5.897 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.888 -6.733 -10.178 1.00 0.00 H new ATOM 1262 N LEU A 82 0.645 -5.864 -8.926 1.00 0.00 N ATOM 1263 CA LEU A 82 1.376 -5.015 -8.001 1.00 0.00 C ATOM 1264 C LEU A 82 2.132 -3.942 -8.788 1.00 0.00 C ATOM 1265 O LEU A 82 1.738 -2.777 -8.791 1.00 0.00 O ATOM 1266 CB LEU A 82 2.274 -5.859 -7.094 1.00 0.00 C ATOM 1267 CG LEU A 82 2.017 -5.733 -5.591 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.157 -6.358 -4.785 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.768 -4.276 -5.197 1.00 0.00 C ATOM 0 H LEU A 82 0.910 -6.849 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 82 0.687 -4.496 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.160 -6.906 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.312 -5.588 -7.289 1.00 0.00 H new ATOM 0 HG LEU A 82 1.111 -6.290 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.949 -6.255 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.244 -7.415 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.092 -5.850 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.588 -4.215 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.641 -3.675 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.897 -3.898 -5.733 1.00 0.00 H new ATOM 1281 N VAL A 83 3.203 -4.374 -9.437 1.00 0.00 N ATOM 1282 CA VAL A 83 4.017 -3.465 -10.226 1.00 0.00 C ATOM 1283 C VAL A 83 3.155 -2.836 -11.322 1.00 0.00 C ATOM 1284 O VAL A 83 3.072 -1.613 -11.425 1.00 0.00 O ATOM 1285 CB VAL A 83 5.240 -4.202 -10.776 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.007 -3.326 -11.769 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.152 -4.674 -9.642 1.00 0.00 C ATOM 0 H VAL A 83 3.526 -5.341 -9.433 1.00 0.00 H new ATOM 0 HA VAL A 83 4.395 -2.653 -9.605 1.00 0.00 H new ATOM 0 HB VAL A 83 4.887 -5.084 -11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.871 -3.873 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.354 -3.062 -12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.342 -2.417 -11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.013 -5.195 -10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.493 -3.813 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.601 -5.351 -8.990 1.00 0.00 H new ATOM 1297 N ALA A 84 2.535 -3.700 -12.112 1.00 0.00 N ATOM 1298 CA ALA A 84 1.682 -3.244 -13.196 1.00 0.00 C ATOM 1299 C ALA A 84 0.726 -2.172 -12.671 1.00 0.00 C ATOM 1300 O ALA A 84 0.333 -1.269 -13.408 1.00 0.00 O ATOM 1301 CB ALA A 84 0.943 -4.439 -13.802 1.00 0.00 C ATOM 0 H ALA A 84 2.606 -4.714 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 84 2.278 -2.793 -13.989 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.303 -4.097 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.667 -5.157 -14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.332 -4.916 -13.036 1.00 0.00 H new ATOM 1307 N GLY A 85 0.378 -2.306 -11.399 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.525 -1.360 -10.766 1.00 0.00 C ATOM 1309 C GLY A 85 0.171 -0.021 -10.517 1.00 0.00 C ATOM 1310 O GLY A 85 -0.363 1.033 -10.859 1.00 0.00 O ATOM 0 H GLY A 85 0.705 -3.056 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.399 -1.207 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.883 -1.769 -9.821 1.00 0.00 H new ATOM 1314 N LEU A 86 1.351 -0.105 -9.921 1.00 0.00 N ATOM 1315 CA LEU A 86 2.126 1.087 -9.622 1.00 0.00 C ATOM 1316 C LEU A 86 2.293 1.915 -10.897 1.00 0.00 C ATOM 1317 O LEU A 86 2.104 3.131 -10.882 1.00 0.00 O ATOM 1318 CB LEU A 86 3.451 0.712 -8.954 1.00 0.00 C ATOM 1319 CG LEU A 86 4.664 0.613 -9.881 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.082 1.995 -10.387 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.819 -0.121 -9.196 1.00 0.00 C ATOM 0 H LEU A 86 1.790 -0.981 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 86 1.599 1.713 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.668 1.450 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.323 -0.247 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 86 4.380 0.024 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.946 1.896 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.257 2.445 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.341 2.630 -9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.669 -0.178 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.111 0.420 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.501 -1.129 -8.927 1.00 0.00 H new ATOM 1333 N SER A 87 2.645 1.224 -11.972 1.00 0.00 N ATOM 1334 CA SER A 87 2.839 1.881 -13.253 1.00 0.00 C ATOM 1335 C SER A 87 1.531 2.526 -13.714 1.00 0.00 C ATOM 1336 O SER A 87 1.474 3.735 -13.933 1.00 0.00 O ATOM 1337 CB SER A 87 3.344 0.893 -14.307 1.00 0.00 C ATOM 1338 OG SER A 87 4.730 0.601 -14.145 1.00 0.00 O ATOM 0 H SER A 87 2.801 0.216 -11.982 1.00 0.00 H new ATOM 0 HA SER A 87 3.595 2.657 -13.129 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.769 -0.031 -14.243 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.174 1.306 -15.301 1.00 0.00 H new ATOM 0 HG SER A 87 5.013 -0.034 -14.835 1.00 0.00 H new ATOM 1344 N LEU A 88 0.511 1.690 -13.849 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.793 2.164 -14.280 1.00 0.00 C ATOM 1346 C LEU A 88 -1.231 3.325 -13.384 1.00 0.00 C ATOM 1347 O LEU A 88 -2.069 4.135 -13.777 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.795 1.009 -14.324 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.381 0.682 -15.698 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.781 -0.610 -16.257 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.910 0.626 -15.644 1.00 0.00 C ATOM 0 H LEU A 88 0.562 0.688 -13.667 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.741 2.549 -15.298 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.306 0.115 -13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.617 1.241 -13.646 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.112 1.486 -16.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.215 -0.819 -17.235 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.701 -0.497 -16.356 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.999 -1.435 -15.579 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.301 0.392 -16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.221 -0.145 -14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.298 1.592 -15.320 1.00 0.00 H new ATOM 1363 N MET A 89 -0.643 3.369 -12.197 1.00 0.00 N ATOM 1364 CA MET A 89 -0.962 4.417 -11.243 1.00 0.00 C ATOM 1365 C MET A 89 -0.338 5.749 -11.662 1.00 0.00 C ATOM 1366 O MET A 89 -1.051 6.705 -11.964 1.00 0.00 O ATOM 1367 CB MET A 89 -0.442 4.023 -9.859 1.00 0.00 C ATOM 1368 CG MET A 89 -1.298 4.645 -8.754 1.00 0.00 C ATOM 1369 SD MET A 89 -0.330 5.821 -7.822 1.00 0.00 S ATOM 1370 CE MET A 89 -0.339 7.199 -8.957 1.00 0.00 C ATOM 0 H MET A 89 0.052 2.696 -11.875 1.00 0.00 H new ATOM 0 HA MET A 89 -2.045 4.538 -11.214 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.447 2.937 -9.760 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.593 4.348 -9.749 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.166 5.140 -9.190 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.675 3.865 -8.092 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.458 8.128 -8.400 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.602 7.223 -9.507 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.166 7.088 -9.658 1.00 0.00 H new ATOM 1380 N MET A 90 0.987 5.770 -11.668 1.00 0.00 N ATOM 1381 CA MET A 90 1.715 6.969 -12.046 1.00 0.00 C ATOM 1382 C MET A 90 1.193 7.533 -13.369 1.00 0.00 C ATOM 1383 O MET A 90 1.169 8.748 -13.564 1.00 0.00 O ATOM 1384 CB MET A 90 3.203 6.642 -12.182 1.00 0.00 C ATOM 1385 CG MET A 90 3.417 5.431 -13.092 1.00 0.00 C ATOM 1386 SD MET A 90 5.128 5.338 -13.592 1.00 0.00 S ATOM 1387 CE MET A 90 5.723 4.116 -12.436 1.00 0.00 C ATOM 0 H MET A 90 1.575 4.975 -11.417 1.00 0.00 H new ATOM 0 HA MET A 90 1.569 7.720 -11.269 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.733 7.504 -12.587 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.626 6.441 -11.198 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.132 4.518 -12.569 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.776 5.508 -13.971 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.801 4.222 -12.317 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.235 4.260 -11.472 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.496 3.118 -12.812 1.00 0.00 H new ATOM 1397 N ILE A 91 0.789 6.625 -14.245 1.00 0.00 N ATOM 1398 CA ILE A 91 0.269 7.016 -15.544 1.00 0.00 C ATOM 1399 C ILE A 91 -1.203 7.408 -15.403 1.00 0.00 C ATOM 1400 O ILE A 91 -1.690 8.276 -16.125 1.00 0.00 O ATOM 1401 CB ILE A 91 0.516 5.913 -16.575 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.504 6.478 -17.996 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.485 4.769 -16.404 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.724 6.001 -18.787 1.00 0.00 C ATOM 0 H ILE A 91 0.811 5.619 -14.080 1.00 0.00 H new ATOM 0 HA ILE A 91 0.798 7.893 -15.917 1.00 0.00 H new ATOM 0 HB ILE A 91 1.510 5.500 -16.402 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.408 6.169 -18.506 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.494 7.567 -17.958 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.287 3.998 -17.149 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.384 4.343 -15.406 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.498 5.149 -16.535 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.690 6.417 -19.794 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.634 6.333 -18.287 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.718 4.913 -18.844 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.871 6.747 -14.468 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.278 7.015 -14.223 1.00 0.00 C ATOM 1418 C LEU A 92 -3.434 8.434 -13.671 1.00 0.00 C ATOM 1419 O LEU A 92 -4.488 9.049 -13.820 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.880 5.935 -13.322 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.162 6.319 -12.580 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.016 5.084 -12.286 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.844 7.111 -11.310 1.00 0.00 C ATOM 0 H LEU A 92 -1.464 6.027 -13.871 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.842 6.971 -15.155 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.086 5.055 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.131 5.645 -12.586 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.749 6.970 -13.227 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.921 5.385 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.287 4.598 -13.223 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.449 4.389 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.772 7.371 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.226 6.505 -10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.307 8.022 -11.574 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.368 8.912 -13.045 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.374 10.246 -12.470 1.00 0.00 C ATOM 1437 C ARG A 93 -1.808 11.257 -13.470 1.00 0.00 C ATOM 1438 O ARG A 93 -2.370 12.335 -13.654 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.548 10.295 -11.183 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.451 10.246 -9.950 1.00 0.00 C ATOM 1441 CD ARG A 93 -3.123 11.599 -9.708 1.00 0.00 C ATOM 1442 NE ARG A 93 -4.212 11.454 -8.717 1.00 0.00 N ATOM 1443 CZ ARG A 93 -5.430 10.975 -9.004 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -5.722 10.593 -10.254 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -6.357 10.879 -8.040 1.00 0.00 N ATOM 0 H ARG A 93 -1.495 8.399 -12.924 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.407 10.501 -12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.852 9.457 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.951 11.206 -11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.212 9.477 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.864 9.966 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.388 12.320 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.522 11.989 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.024 11.736 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.017 10.667 -10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.649 10.228 -10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.135 11.171 -7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.284 10.514 -8.259 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.702 10.872 -14.090 1.00 0.00 N ATOM 1460 CA LEU A 94 -0.054 11.732 -15.066 1.00 0.00 C ATOM 1461 C LEU A 94 -0.999 11.958 -16.248 1.00 0.00 C ATOM 1462 O LEU A 94 -0.772 12.845 -17.068 1.00 0.00 O ATOM 1463 CB LEU A 94 1.306 11.156 -15.468 1.00 0.00 C ATOM 1464 CG LEU A 94 2.263 12.123 -16.167 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.627 12.141 -15.473 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.382 11.795 -17.657 1.00 0.00 C ATOM 0 H LEU A 94 -0.238 9.977 -13.936 1.00 0.00 H new ATOM 0 HA LEU A 94 0.155 12.710 -14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.796 10.775 -14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.137 10.304 -16.126 1.00 0.00 H new ATOM 0 HG LEU A 94 1.849 13.129 -16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.289 12.836 -15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.504 12.458 -14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.061 11.141 -15.497 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.068 12.497 -18.130 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.761 10.780 -17.777 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.401 11.874 -18.126 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.040 11.139 -16.296 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.021 11.239 -17.364 1.00 0.00 C ATOM 1480 C VAL A 95 -3.452 12.698 -17.520 1.00 0.00 C ATOM 1481 O VAL A 95 -3.441 13.238 -18.626 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.194 10.296 -17.086 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.483 10.823 -17.720 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.884 8.878 -17.571 1.00 0.00 C ATOM 0 H VAL A 95 -2.225 10.404 -15.613 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.586 10.925 -18.313 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.344 10.256 -16.007 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.301 10.134 -17.508 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.717 11.804 -17.306 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.350 10.907 -18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.734 8.228 -17.362 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.695 8.894 -18.644 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.002 8.501 -17.053 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.821 13.297 -16.397 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.255 14.684 -16.396 1.00 0.00 C ATOM 1496 C LEU A 96 -3.082 15.580 -15.992 1.00 0.00 C ATOM 1497 O LEU A 96 -3.285 16.691 -15.505 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.493 14.857 -15.514 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.422 14.219 -14.125 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -6.314 14.967 -13.132 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.761 12.728 -14.188 1.00 0.00 C ATOM 0 H LEU A 96 -3.828 12.847 -15.482 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.560 14.989 -17.397 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.682 15.924 -15.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.351 14.439 -16.041 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.397 14.302 -13.764 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.245 14.493 -12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.986 16.004 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.347 14.938 -13.477 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.703 12.299 -13.188 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.770 12.601 -14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.051 12.221 -14.842 1.00 0.00 H new