USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 581 MET CE :methyl -99:sc= -5.84! (180deg=-6.66!) USER MOD Set 1.2: A 595 HIS : no HD1:sc= -0.331 X(o=-6.2,f=-6.3) USER MOD Single : A 547 CYS SG : rot 180:sc= -4.53! USER MOD Single : A 548 SER OG : rot 180:sc= 0.298 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 558 CYS SG : rot 16:sc= 0.204 USER MOD Single : A 559 SER OG : rot 180:sc= 0.00708 USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 CYS SG : rot -33:sc= -0.879 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 567 THR OG1 : rot 49:sc= -1.34 USER MOD Single : A 568 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 571 THR OG1 : rot 180:sc= -0.0014 USER MOD Single : A 572 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 575 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 578 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 579 TYR OH : rot 180:sc= -4.85! USER MOD Single : A 580 SER OG : rot -81:sc= 1.13 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 GLN : amide:sc= -0.107 K(o=-0.11,f=-2!) USER MOD Single : A 599 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N CYS A 547 9.108 7.465 3.325 1.00 0.00 N ATOM 82 CA CYS A 547 8.320 6.783 2.307 1.00 0.00 C ATOM 83 C CYS A 547 6.832 6.830 2.657 1.00 0.00 C ATOM 84 O CYS A 547 6.385 6.212 3.627 1.00 0.00 O ATOM 85 CB CYS A 547 8.802 5.338 2.162 1.00 0.00 C ATOM 86 SG CYS A 547 8.580 4.645 0.506 1.00 0.00 S ATOM 0 HA CYS A 547 8.454 7.293 1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 547 9.859 5.291 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 547 8.268 4.715 2.879 1.00 0.00 H new ATOM 0 HG CYS A 547 9.020 3.422 0.485 1.00 0.00 H new ATOM 92 N SER A 548 6.073 7.578 1.863 1.00 0.00 N ATOM 93 CA SER A 548 4.637 7.729 2.082 1.00 0.00 C ATOM 94 C SER A 548 3.835 6.916 1.077 1.00 0.00 C ATOM 95 O SER A 548 4.323 6.596 -0.006 1.00 0.00 O ATOM 96 CB SER A 548 4.240 9.202 1.961 1.00 0.00 C ATOM 97 OG SER A 548 4.262 9.622 0.607 1.00 0.00 O ATOM 0 H SER A 548 6.430 8.092 1.058 1.00 0.00 H new ATOM 0 HA SER A 548 4.415 7.363 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.243 9.349 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.923 9.816 2.548 1.00 0.00 H new ATOM 0 HG SER A 548 4.003 10.566 0.553 1.00 0.00 H new ATOM 103 N ILE A 549 2.590 6.611 1.430 1.00 0.00 N ATOM 104 CA ILE A 549 1.708 5.865 0.540 1.00 0.00 C ATOM 105 C ILE A 549 1.406 6.697 -0.701 1.00 0.00 C ATOM 106 O ILE A 549 1.161 6.160 -1.781 1.00 0.00 O ATOM 107 CB ILE A 549 0.376 5.502 1.230 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.629 4.861 2.598 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.446 4.577 0.340 1.00 0.00 C ATOM 110 CD1 ILE A 549 0.975 3.389 2.533 1.00 0.00 C ATOM 0 H ILE A 549 2.170 6.868 2.323 1.00 0.00 H new ATOM 0 HA ILE A 549 2.220 4.942 0.267 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.191 6.419 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.441 5.393 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.259 4.988 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.383 4.329 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.660 5.077 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.116 3.663 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.139 3.009 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.154 2.842 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 549 1.881 3.254 1.942 1.00 0.00 H new ATOM 122 N VAL A 550 1.429 8.018 -0.529 1.00 0.00 N ATOM 123 CA VAL A 550 1.163 8.948 -1.620 1.00 0.00 C ATOM 124 C VAL A 550 2.231 8.834 -2.706 1.00 0.00 C ATOM 125 O VAL A 550 1.914 8.697 -3.888 1.00 0.00 O ATOM 126 CB VAL A 550 1.107 10.400 -1.096 1.00 0.00 C ATOM 127 CG1 VAL A 550 1.169 11.405 -2.237 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.147 10.611 -0.259 1.00 0.00 C ATOM 0 H VAL A 550 1.631 8.469 0.364 1.00 0.00 H new ATOM 0 HA VAL A 550 0.196 8.688 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 550 1.981 10.565 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 550 1.127 12.417 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 550 2.100 11.272 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 550 0.324 11.247 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.174 11.638 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.029 10.419 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.138 9.927 0.589 1.00 0.00 H new ATOM 138 N SER A 551 3.495 8.877 -2.299 1.00 0.00 N ATOM 139 CA SER A 551 4.599 8.763 -3.244 1.00 0.00 C ATOM 140 C SER A 551 4.796 7.306 -3.642 1.00 0.00 C ATOM 141 O SER A 551 5.133 6.996 -4.786 1.00 0.00 O ATOM 142 CB SER A 551 5.887 9.319 -2.631 1.00 0.00 C ATOM 143 OG SER A 551 6.071 10.680 -2.979 1.00 0.00 O ATOM 0 H SER A 551 3.779 8.989 -1.326 1.00 0.00 H new ATOM 0 HA SER A 551 4.358 9.345 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.850 9.220 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.740 8.734 -2.976 1.00 0.00 H new ATOM 0 HG SER A 551 6.899 11.012 -2.574 1.00 0.00 H new ATOM 149 N PHE A 552 4.567 6.420 -2.682 1.00 0.00 N ATOM 150 CA PHE A 552 4.699 4.987 -2.901 1.00 0.00 C ATOM 151 C PHE A 552 3.702 4.513 -3.957 1.00 0.00 C ATOM 152 O PHE A 552 4.055 3.759 -4.864 1.00 0.00 O ATOM 153 CB PHE A 552 4.482 4.251 -1.572 1.00 0.00 C ATOM 154 CG PHE A 552 4.023 2.830 -1.709 1.00 0.00 C ATOM 155 CD1 PHE A 552 4.688 1.944 -2.540 1.00 0.00 C ATOM 156 CD2 PHE A 552 2.924 2.382 -0.997 1.00 0.00 C ATOM 157 CE1 PHE A 552 4.264 0.634 -2.657 1.00 0.00 C ATOM 158 CE2 PHE A 552 2.494 1.078 -1.110 1.00 0.00 C ATOM 159 CZ PHE A 552 3.164 0.200 -1.941 1.00 0.00 C ATOM 0 H PHE A 552 4.286 6.673 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 552 5.701 4.767 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.415 4.264 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.747 4.801 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 552 5.547 2.280 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 552 2.397 3.063 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 552 4.791 -0.049 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 552 1.634 0.742 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 552 2.829 -0.823 -2.031 1.00 0.00 H new ATOM 169 N LEU A 553 2.458 4.964 -3.834 1.00 0.00 N ATOM 170 CA LEU A 553 1.412 4.591 -4.780 1.00 0.00 C ATOM 171 C LEU A 553 1.600 5.320 -6.105 1.00 0.00 C ATOM 172 O LEU A 553 1.436 4.734 -7.176 1.00 0.00 O ATOM 173 CB LEU A 553 0.032 4.908 -4.203 1.00 0.00 C ATOM 174 CG LEU A 553 -0.513 3.870 -3.221 1.00 0.00 C ATOM 175 CD1 LEU A 553 -1.915 4.247 -2.766 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.508 2.486 -3.853 1.00 0.00 C ATOM 0 H LEU A 553 2.149 5.588 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 553 1.483 3.518 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 553 0.079 5.873 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.674 5.012 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 553 0.136 3.850 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.285 3.496 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -1.889 5.219 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.577 4.296 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -0.899 1.759 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -1.133 2.491 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.512 2.214 -4.126 1.00 0.00 H new ATOM 188 N ALA A 554 1.947 6.602 -6.026 1.00 0.00 N ATOM 189 CA ALA A 554 2.160 7.411 -7.219 1.00 0.00 C ATOM 190 C ALA A 554 3.209 6.781 -8.128 1.00 0.00 C ATOM 191 O ALA A 554 3.093 6.827 -9.352 1.00 0.00 O ATOM 192 CB ALA A 554 2.571 8.823 -6.832 1.00 0.00 C ATOM 0 H ALA A 554 2.086 7.101 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 554 1.221 7.457 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.727 9.416 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.785 9.278 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.496 8.788 -6.256 1.00 0.00 H new ATOM 198 N ARG A 555 4.231 6.192 -7.517 1.00 0.00 N ATOM 199 CA ARG A 555 5.301 5.548 -8.271 1.00 0.00 C ATOM 200 C ARG A 555 4.768 4.356 -9.061 1.00 0.00 C ATOM 201 O ARG A 555 5.292 4.018 -10.123 1.00 0.00 O ATOM 202 CB ARG A 555 6.415 5.092 -7.327 1.00 0.00 C ATOM 203 CG ARG A 555 7.721 4.771 -8.040 1.00 0.00 C ATOM 204 CD ARG A 555 8.875 5.602 -7.498 1.00 0.00 C ATOM 205 NE ARG A 555 9.227 5.223 -6.132 1.00 0.00 N ATOM 206 CZ ARG A 555 9.950 4.148 -5.823 1.00 0.00 C ATOM 207 NH1 ARG A 555 10.399 3.345 -6.779 1.00 0.00 N ATOM 208 NH2 ARG A 555 10.224 3.878 -4.554 1.00 0.00 N ATOM 0 H ARG A 555 4.341 6.147 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 555 5.706 6.276 -8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 555 6.596 5.872 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 555 6.081 4.209 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 555 7.949 3.711 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 555 7.608 4.957 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 555 9.745 5.480 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 555 8.605 6.658 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 555 8.900 5.817 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 555 10.191 3.550 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 555 10.952 2.523 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 555 9.881 4.493 -3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 555 10.778 3.055 -4.316 1.00 0.00 H new ATOM 222 N LEU A 556 3.723 3.721 -8.536 1.00 0.00 N ATOM 223 CA LEU A 556 3.120 2.567 -9.193 1.00 0.00 C ATOM 224 C LEU A 556 1.886 2.972 -9.999 1.00 0.00 C ATOM 225 O LEU A 556 1.438 2.232 -10.875 1.00 0.00 O ATOM 226 CB LEU A 556 2.739 1.505 -8.159 1.00 0.00 C ATOM 227 CG LEU A 556 3.740 1.325 -7.016 1.00 0.00 C ATOM 228 CD1 LEU A 556 3.071 0.670 -5.817 1.00 0.00 C ATOM 229 CD2 LEU A 556 4.933 0.502 -7.480 1.00 0.00 C ATOM 0 H LEU A 556 3.277 3.987 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 556 3.857 2.151 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.769 1.765 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.618 0.550 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 556 4.097 2.309 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 556 3.799 0.550 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.249 1.297 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.685 -0.308 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 556 5.636 0.383 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 556 4.592 -0.479 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 556 5.427 1.012 -8.307 1.00 0.00 H new ATOM 241 N GLY A 557 1.341 4.149 -9.700 1.00 0.00 N ATOM 242 CA GLY A 557 0.167 4.622 -10.409 1.00 0.00 C ATOM 243 C GLY A 557 -1.125 4.136 -9.782 1.00 0.00 C ATOM 244 O GLY A 557 -2.017 3.652 -10.479 1.00 0.00 O ATOM 0 H GLY A 557 1.692 4.781 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 557 0.171 5.712 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 557 0.213 4.287 -11.445 1.00 0.00 H new ATOM 248 N CYS A 558 -1.226 4.265 -8.463 1.00 0.00 N ATOM 249 CA CYS A 558 -2.419 3.835 -7.743 1.00 0.00 C ATOM 250 C CYS A 558 -2.725 4.780 -6.585 1.00 0.00 C ATOM 251 O CYS A 558 -3.078 4.343 -5.489 1.00 0.00 O ATOM 252 CB CYS A 558 -2.236 2.408 -7.220 1.00 0.00 C ATOM 253 SG CYS A 558 -2.394 1.131 -8.489 1.00 0.00 S ATOM 0 H CYS A 558 -0.497 4.663 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.260 3.855 -8.436 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -1.253 2.325 -6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -2.973 2.222 -6.439 1.00 0.00 H new ATOM 0 HG CYS A 558 -2.304 1.675 -9.666 1.00 0.00 H new ATOM 259 N SER A 559 -2.588 6.078 -6.834 1.00 0.00 N ATOM 260 CA SER A 559 -2.850 7.084 -5.810 1.00 0.00 C ATOM 261 C SER A 559 -4.301 7.022 -5.342 1.00 0.00 C ATOM 262 O SER A 559 -4.608 7.354 -4.197 1.00 0.00 O ATOM 263 CB SER A 559 -2.533 8.480 -6.348 1.00 0.00 C ATOM 264 OG SER A 559 -1.339 8.476 -7.109 1.00 0.00 O ATOM 0 H SER A 559 -2.297 6.458 -7.735 1.00 0.00 H new ATOM 0 HA SER A 559 -2.205 6.875 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 559 -3.360 8.831 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 559 -2.436 9.179 -5.518 1.00 0.00 H new ATOM 0 HG SER A 559 -1.161 9.380 -7.442 1.00 0.00 H new ATOM 270 N SER A 560 -5.190 6.597 -6.232 1.00 0.00 N ATOM 271 CA SER A 560 -6.608 6.494 -5.907 1.00 0.00 C ATOM 272 C SER A 560 -6.844 5.470 -4.798 1.00 0.00 C ATOM 273 O SER A 560 -7.833 5.549 -4.070 1.00 0.00 O ATOM 274 CB SER A 560 -7.411 6.111 -7.153 1.00 0.00 C ATOM 275 OG SER A 560 -8.236 7.184 -7.577 1.00 0.00 O ATOM 0 H SER A 560 -4.954 6.318 -7.184 1.00 0.00 H new ATOM 0 HA SER A 560 -6.944 7.468 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 560 -6.730 5.832 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 560 -8.026 5.237 -6.939 1.00 0.00 H new ATOM 0 HG SER A 560 -8.737 6.916 -8.375 1.00 0.00 H new ATOM 281 N CYS A 561 -5.932 4.512 -4.677 1.00 0.00 N ATOM 282 CA CYS A 561 -6.043 3.472 -3.660 1.00 0.00 C ATOM 283 C CYS A 561 -5.797 4.034 -2.260 1.00 0.00 C ATOM 284 O CYS A 561 -6.184 3.424 -1.264 1.00 0.00 O ATOM 285 CB CYS A 561 -5.056 2.339 -3.946 1.00 0.00 C ATOM 286 SG CYS A 561 -5.795 0.908 -4.769 1.00 0.00 S ATOM 0 H CYS A 561 -5.107 4.434 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 561 -7.060 3.080 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.247 2.724 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.610 2.014 -3.006 1.00 0.00 H new ATOM 0 HG CYS A 561 -7.022 0.760 -4.365 1.00 0.00 H new ATOM 292 N LEU A 562 -5.146 5.193 -2.188 1.00 0.00 N ATOM 293 CA LEU A 562 -4.845 5.820 -0.904 1.00 0.00 C ATOM 294 C LEU A 562 -6.088 5.921 -0.028 1.00 0.00 C ATOM 295 O LEU A 562 -6.014 5.756 1.189 1.00 0.00 O ATOM 296 CB LEU A 562 -4.240 7.208 -1.110 1.00 0.00 C ATOM 297 CG LEU A 562 -3.098 7.555 -0.153 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.759 7.455 -0.864 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.290 8.945 0.435 1.00 0.00 C ATOM 0 H LEU A 562 -4.818 5.715 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.119 5.187 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.873 7.281 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -5.028 7.953 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.108 6.836 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.958 7.705 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.617 6.438 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.740 8.150 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.466 9.170 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.310 9.681 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.231 8.981 0.984 1.00 0.00 H new ATOM 311 N ASP A 563 -7.231 6.190 -0.650 1.00 0.00 N ATOM 312 CA ASP A 563 -8.487 6.312 0.084 1.00 0.00 C ATOM 313 C ASP A 563 -8.722 5.088 0.963 1.00 0.00 C ATOM 314 O ASP A 563 -9.241 5.198 2.073 1.00 0.00 O ATOM 315 CB ASP A 563 -9.655 6.488 -0.889 1.00 0.00 C ATOM 316 CG ASP A 563 -9.811 7.923 -1.351 1.00 0.00 C ATOM 317 OD1 ASP A 563 -9.577 8.190 -2.548 1.00 0.00 O ATOM 318 OD2 ASP A 563 -10.169 8.780 -0.516 1.00 0.00 O ATOM 0 H ASP A 563 -7.315 6.327 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.422 7.191 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.502 5.845 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.577 6.162 -0.408 1.00 0.00 H new ATOM 323 N TYR A 564 -8.328 3.923 0.459 1.00 0.00 N ATOM 324 CA TYR A 564 -8.486 2.681 1.193 1.00 0.00 C ATOM 325 C TYR A 564 -7.529 2.624 2.379 1.00 0.00 C ATOM 326 O TYR A 564 -7.853 2.062 3.425 1.00 0.00 O ATOM 327 CB TYR A 564 -8.236 1.495 0.264 1.00 0.00 C ATOM 328 CG TYR A 564 -9.050 1.537 -1.009 1.00 0.00 C ATOM 329 CD1 TYR A 564 -10.439 1.514 -0.971 1.00 0.00 C ATOM 330 CD2 TYR A 564 -8.430 1.599 -2.251 1.00 0.00 C ATOM 331 CE1 TYR A 564 -11.186 1.550 -2.132 1.00 0.00 C ATOM 332 CE2 TYR A 564 -9.171 1.636 -3.417 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.548 1.611 -3.352 1.00 0.00 C ATOM 334 OH TYR A 564 -11.288 1.648 -4.512 1.00 0.00 O ATOM 0 H TYR A 564 -7.896 3.817 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.506 2.634 1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.177 1.463 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.462 0.572 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -10.943 1.467 -0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -7.352 1.619 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.265 1.530 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -8.674 1.684 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.685 1.691 -5.283 1.00 0.00 H new ATOM 344 N PHE A 565 -6.346 3.208 2.210 1.00 0.00 N ATOM 345 CA PHE A 565 -5.344 3.220 3.270 1.00 0.00 C ATOM 346 C PHE A 565 -5.716 4.226 4.353 1.00 0.00 C ATOM 347 O PHE A 565 -5.706 3.910 5.544 1.00 0.00 O ATOM 348 CB PHE A 565 -3.968 3.558 2.690 1.00 0.00 C ATOM 349 CG PHE A 565 -3.382 2.454 1.858 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.101 2.655 0.516 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.115 1.215 2.415 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.564 1.641 -0.254 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.579 0.196 1.650 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.303 0.409 0.314 1.00 0.00 C ATOM 0 H PHE A 565 -6.059 3.678 1.351 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.307 2.228 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -4.050 4.458 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.285 3.789 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.304 3.616 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.328 1.043 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.349 1.811 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.376 -0.766 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 565 -1.884 -0.386 -0.286 1.00 0.00 H new ATOM 364 N THR A 566 -6.052 5.438 3.929 1.00 0.00 N ATOM 365 CA THR A 566 -6.433 6.495 4.858 1.00 0.00 C ATOM 366 C THR A 566 -7.677 6.102 5.646 1.00 0.00 C ATOM 367 O THR A 566 -7.796 6.407 6.833 1.00 0.00 O ATOM 368 CB THR A 566 -6.686 7.798 4.101 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.385 7.550 2.894 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.416 8.544 3.749 1.00 0.00 C ATOM 0 H THR A 566 -6.068 5.714 2.947 1.00 0.00 H new ATOM 0 HA THR A 566 -5.612 6.643 5.560 1.00 0.00 H new ATOM 0 HB THR A 566 -7.275 8.415 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 566 -7.539 8.397 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.668 9.459 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 566 -4.877 8.795 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.788 7.915 3.118 1.00 0.00 H new ATOM 378 N THR A 567 -8.603 5.423 4.976 1.00 0.00 N ATOM 379 CA THR A 567 -9.842 4.988 5.610 1.00 0.00 C ATOM 380 C THR A 567 -9.567 4.144 6.853 1.00 0.00 C ATOM 381 O THR A 567 -10.425 4.020 7.728 1.00 0.00 O ATOM 382 CB THR A 567 -10.694 4.192 4.621 1.00 0.00 C ATOM 383 OG1 THR A 567 -9.874 3.465 3.725 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.622 5.058 3.796 1.00 0.00 C ATOM 0 H THR A 567 -8.518 5.162 3.994 1.00 0.00 H new ATOM 0 HA THR A 567 -10.386 5.881 5.919 1.00 0.00 H new ATOM 0 HB THR A 567 -11.298 3.523 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.190 2.978 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.197 4.430 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 567 -12.303 5.594 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 567 -11.036 5.774 3.221 1.00 0.00 H new ATOM 392 N GLN A 568 -8.371 3.565 6.932 1.00 0.00 N ATOM 393 CA GLN A 568 -8.007 2.737 8.077 1.00 0.00 C ATOM 394 C GLN A 568 -6.985 3.440 8.970 1.00 0.00 C ATOM 395 O GLN A 568 -6.750 3.022 10.103 1.00 0.00 O ATOM 396 CB GLN A 568 -7.442 1.401 7.604 1.00 0.00 C ATOM 397 CG GLN A 568 -7.331 0.361 8.706 1.00 0.00 C ATOM 398 CD GLN A 568 -8.537 -0.557 8.766 1.00 0.00 C ATOM 399 OE1 GLN A 568 -9.282 -0.560 9.746 1.00 0.00 O ATOM 400 NE2 GLN A 568 -8.734 -1.343 7.714 1.00 0.00 N ATOM 0 H GLN A 568 -7.643 3.653 6.223 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.911 2.563 8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -8.077 1.009 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -6.455 1.566 7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -6.433 -0.236 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -7.215 0.865 9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -8.091 -1.307 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -9.529 -1.982 7.697 1.00 0.00 H new ATOM 409 N GLY A 569 -6.388 4.513 8.459 1.00 0.00 N ATOM 410 CA GLY A 569 -5.409 5.253 9.236 1.00 0.00 C ATOM 411 C GLY A 569 -3.986 5.079 8.734 1.00 0.00 C ATOM 412 O GLY A 569 -3.037 5.491 9.402 1.00 0.00 O ATOM 0 H GLY A 569 -6.564 4.882 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.666 6.312 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -5.462 4.930 10.276 1.00 0.00 H new ATOM 416 N LEU A 570 -3.829 4.476 7.559 1.00 0.00 N ATOM 417 CA LEU A 570 -2.502 4.265 6.987 1.00 0.00 C ATOM 418 C LEU A 570 -2.136 5.404 6.039 1.00 0.00 C ATOM 419 O LEU A 570 -2.730 5.550 4.971 1.00 0.00 O ATOM 420 CB LEU A 570 -2.442 2.931 6.240 1.00 0.00 C ATOM 421 CG LEU A 570 -2.983 1.724 7.011 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.192 1.148 6.301 1.00 0.00 C ATOM 423 CD2 LEU A 570 -1.905 0.659 7.174 1.00 0.00 C ATOM 0 H LEU A 570 -4.598 4.127 6.987 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.783 4.244 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -3.003 3.029 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.405 2.732 5.968 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.285 2.057 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.567 0.290 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -4.971 1.907 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -3.908 0.832 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.312 -0.189 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.570 0.327 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -1.061 1.077 7.723 1.00 0.00 H new ATOM 435 N THR A 571 -1.151 6.203 6.435 1.00 0.00 N ATOM 436 CA THR A 571 -0.703 7.325 5.618 1.00 0.00 C ATOM 437 C THR A 571 0.685 7.055 5.050 1.00 0.00 C ATOM 438 O THR A 571 0.979 7.403 3.905 1.00 0.00 O ATOM 439 CB THR A 571 -0.688 8.612 6.445 1.00 0.00 C ATOM 440 OG1 THR A 571 0.283 8.537 7.472 1.00 0.00 O ATOM 441 CG2 THR A 571 -2.020 8.923 7.092 1.00 0.00 C ATOM 0 H THR A 571 -0.648 6.095 7.316 1.00 0.00 H new ATOM 0 HA THR A 571 -1.401 7.445 4.790 1.00 0.00 H new ATOM 0 HB THR A 571 -0.452 9.407 5.738 1.00 0.00 H new ATOM 0 HG1 THR A 571 0.278 9.370 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 571 -1.940 9.848 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 571 -2.781 9.038 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 571 -2.300 8.108 7.759 1.00 0.00 H new ATOM 449 N THR A 572 1.533 6.429 5.857 1.00 0.00 N ATOM 450 CA THR A 572 2.892 6.105 5.439 1.00 0.00 C ATOM 451 C THR A 572 2.969 4.671 4.935 1.00 0.00 C ATOM 452 O THR A 572 2.190 3.815 5.353 1.00 0.00 O ATOM 453 CB THR A 572 3.876 6.284 6.602 1.00 0.00 C ATOM 454 OG1 THR A 572 3.998 5.081 7.349 1.00 0.00 O ATOM 455 CG2 THR A 572 3.481 7.384 7.566 1.00 0.00 C ATOM 0 H THR A 572 1.303 6.135 6.806 1.00 0.00 H new ATOM 0 HA THR A 572 3.163 6.787 4.633 1.00 0.00 H new ATOM 0 HB THR A 572 4.822 6.559 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.631 5.216 8.085 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.222 7.453 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.430 8.334 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.506 7.157 7.997 1.00 0.00 H new ATOM 463 N ILE A 573 3.929 4.404 4.058 1.00 0.00 N ATOM 464 CA ILE A 573 4.110 3.060 3.536 1.00 0.00 C ATOM 465 C ILE A 573 4.836 2.205 4.565 1.00 0.00 C ATOM 466 O ILE A 573 4.672 0.985 4.604 1.00 0.00 O ATOM 467 CB ILE A 573 4.901 3.063 2.215 1.00 0.00 C ATOM 468 CG1 ILE A 573 5.086 1.636 1.694 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.243 3.744 2.411 1.00 0.00 C ATOM 470 CD1 ILE A 573 5.968 1.551 0.468 1.00 0.00 C ATOM 0 H ILE A 573 4.587 5.095 3.698 1.00 0.00 H new ATOM 0 HA ILE A 573 3.123 2.644 3.334 1.00 0.00 H new ATOM 0 HB ILE A 573 4.335 3.622 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.517 1.022 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 573 4.109 1.214 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 573 6.794 3.740 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 573 6.085 4.773 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 573 6.815 3.209 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 573 6.055 0.511 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 573 5.528 2.138 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 573 6.957 1.943 0.704 1.00 0.00 H new ATOM 482 N TYR A 574 5.627 2.861 5.413 1.00 0.00 N ATOM 483 CA TYR A 574 6.364 2.168 6.461 1.00 0.00 C ATOM 484 C TYR A 574 5.398 1.407 7.358 1.00 0.00 C ATOM 485 O TYR A 574 5.671 0.279 7.769 1.00 0.00 O ATOM 486 CB TYR A 574 7.178 3.164 7.290 1.00 0.00 C ATOM 487 CG TYR A 574 8.570 3.405 6.751 1.00 0.00 C ATOM 488 CD1 TYR A 574 9.516 2.389 6.735 1.00 0.00 C ATOM 489 CD2 TYR A 574 8.937 4.650 6.256 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.789 2.605 6.244 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.208 4.875 5.761 1.00 0.00 C ATOM 492 CZ TYR A 574 11.130 3.849 5.758 1.00 0.00 C ATOM 493 OH TYR A 574 12.396 4.069 5.266 1.00 0.00 O ATOM 0 H TYR A 574 5.772 3.870 5.392 1.00 0.00 H new ATOM 0 HA TYR A 574 7.051 1.461 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.643 4.113 7.330 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.252 2.797 8.314 1.00 0.00 H new ATOM 0 HD1 TYR A 574 9.252 1.412 7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 574 8.218 5.455 6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 574 11.513 1.804 6.241 1.00 0.00 H new ATOM 0 HE2 TYR A 574 10.478 5.848 5.379 1.00 0.00 H new ATOM 0 HH TYR A 574 12.472 4.998 4.962 1.00 0.00 H new ATOM 503 N GLN A 575 4.257 2.028 7.645 1.00 0.00 N ATOM 504 CA GLN A 575 3.239 1.402 8.478 1.00 0.00 C ATOM 505 C GLN A 575 2.786 0.083 7.860 1.00 0.00 C ATOM 506 O GLN A 575 2.373 -0.838 8.564 1.00 0.00 O ATOM 507 CB GLN A 575 2.042 2.338 8.651 1.00 0.00 C ATOM 508 CG GLN A 575 2.290 3.469 9.636 1.00 0.00 C ATOM 509 CD GLN A 575 1.004 4.092 10.144 1.00 0.00 C ATOM 510 OE1 GLN A 575 0.447 3.659 11.153 1.00 0.00 O ATOM 511 NE2 GLN A 575 0.525 5.114 9.444 1.00 0.00 N ATOM 0 H GLN A 575 4.016 2.962 7.313 1.00 0.00 H new ATOM 0 HA GLN A 575 3.671 1.201 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.781 2.763 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 575 1.183 1.757 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 575 2.865 3.090 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 575 2.897 4.237 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 575 1.020 5.440 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -0.338 5.573 9.737 1.00 0.00 H new ATOM 520 N ILE A 576 2.875 -0.001 6.533 1.00 0.00 N ATOM 521 CA ILE A 576 2.484 -1.204 5.811 1.00 0.00 C ATOM 522 C ILE A 576 3.698 -1.901 5.200 1.00 0.00 C ATOM 523 O ILE A 576 3.557 -2.762 4.333 1.00 0.00 O ATOM 524 CB ILE A 576 1.468 -0.887 4.693 1.00 0.00 C ATOM 525 CG1 ILE A 576 2.106 -0.003 3.617 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.236 -0.214 5.277 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.142 0.405 2.523 1.00 0.00 C ATOM 0 H ILE A 576 3.216 0.754 5.938 1.00 0.00 H new ATOM 0 HA ILE A 576 2.016 -1.868 6.537 1.00 0.00 H new ATOM 0 HB ILE A 576 1.164 -1.824 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.511 0.893 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.946 -0.536 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.473 0.004 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.231 -0.878 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.527 0.715 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.661 1.029 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.756 -0.486 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.314 0.966 2.958 1.00 0.00 H new ATOM 539 N GLU A 577 4.892 -1.525 5.652 1.00 0.00 N ATOM 540 CA GLU A 577 6.125 -2.118 5.142 1.00 0.00 C ATOM 541 C GLU A 577 6.078 -3.642 5.222 1.00 0.00 C ATOM 542 O GLU A 577 6.701 -4.335 4.417 1.00 0.00 O ATOM 543 CB GLU A 577 7.329 -1.593 5.927 1.00 0.00 C ATOM 544 CG GLU A 577 8.667 -2.030 5.355 1.00 0.00 C ATOM 545 CD GLU A 577 9.799 -1.903 6.355 1.00 0.00 C ATOM 546 OE1 GLU A 577 10.208 -0.758 6.645 1.00 0.00 O ATOM 547 OE2 GLU A 577 10.276 -2.946 6.849 1.00 0.00 O ATOM 0 H GLU A 577 5.032 -0.813 6.369 1.00 0.00 H new ATOM 0 HA GLU A 577 6.226 -1.833 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 577 7.291 -0.504 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.256 -1.935 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.595 -3.066 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.895 -1.429 4.475 1.00 0.00 H new ATOM 554 N HIS A 578 5.334 -4.156 6.196 1.00 0.00 N ATOM 555 CA HIS A 578 5.205 -5.597 6.379 1.00 0.00 C ATOM 556 C HIS A 578 3.760 -6.046 6.173 1.00 0.00 C ATOM 557 O HIS A 578 3.330 -7.056 6.729 1.00 0.00 O ATOM 558 CB HIS A 578 5.678 -5.998 7.776 1.00 0.00 C ATOM 559 CG HIS A 578 7.157 -5.862 7.971 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.976 -6.928 8.281 1.00 0.00 N ATOM 561 CD2 HIS A 578 7.965 -4.778 7.897 1.00 0.00 C ATOM 562 CE1 HIS A 578 9.224 -6.504 8.391 1.00 0.00 C ATOM 563 NE2 HIS A 578 9.243 -5.204 8.162 1.00 0.00 N ATOM 0 H HIS A 578 4.812 -3.597 6.870 1.00 0.00 H new ATOM 0 HA HIS A 578 5.830 -6.089 5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 578 5.165 -5.383 8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 578 5.389 -7.032 7.966 1.00 0.00 H new ATOM 0 HD2 HIS A 578 7.661 -3.767 7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 578 10.081 -7.117 8.628 1.00 0.00 H new ATOM 0 HE2 HIS A 578 10.073 -4.612 8.179 1.00 0.00 H new ATOM 572 N TYR A 579 3.015 -5.288 5.373 1.00 0.00 N ATOM 573 CA TYR A 579 1.620 -5.612 5.100 1.00 0.00 C ATOM 574 C TYR A 579 1.476 -6.838 4.212 1.00 0.00 C ATOM 575 O TYR A 579 2.241 -7.039 3.269 1.00 0.00 O ATOM 576 CB TYR A 579 0.903 -4.424 4.458 1.00 0.00 C ATOM 577 CG TYR A 579 -0.045 -3.717 5.396 1.00 0.00 C ATOM 578 CD1 TYR A 579 -1.234 -3.179 4.926 1.00 0.00 C ATOM 579 CD2 TYR A 579 0.238 -3.604 6.751 1.00 0.00 C ATOM 580 CE1 TYR A 579 -2.118 -2.549 5.778 1.00 0.00 C ATOM 581 CE2 TYR A 579 -0.638 -2.973 7.612 1.00 0.00 C ATOM 582 CZ TYR A 579 -1.817 -2.447 7.121 1.00 0.00 C ATOM 583 OH TYR A 579 -2.699 -1.823 7.974 1.00 0.00 O ATOM 0 H TYR A 579 3.354 -4.448 4.904 1.00 0.00 H new ATOM 0 HA TYR A 579 1.158 -5.839 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.646 -3.712 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.348 -4.772 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -1.472 -3.254 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 579 1.158 -4.016 7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -3.041 -2.138 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -0.403 -2.891 8.663 1.00 0.00 H new ATOM 0 HH TYR A 579 -2.338 -1.837 8.885 1.00 0.00 H new ATOM 593 N SER A 580 0.469 -7.641 4.523 1.00 0.00 N ATOM 594 CA SER A 580 0.175 -8.848 3.766 1.00 0.00 C ATOM 595 C SER A 580 -0.980 -8.595 2.809 1.00 0.00 C ATOM 596 O SER A 580 -1.690 -7.598 2.935 1.00 0.00 O ATOM 597 CB SER A 580 -0.198 -9.985 4.718 1.00 0.00 C ATOM 598 OG SER A 580 -1.528 -9.831 5.191 1.00 0.00 O ATOM 0 H SER A 580 -0.165 -7.475 5.304 1.00 0.00 H new ATOM 0 HA SER A 580 1.062 -9.127 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.098 -10.942 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 580 0.493 -10.001 5.561 1.00 0.00 H new ATOM 0 HG SER A 580 -1.539 -9.191 5.933 1.00 0.00 H new ATOM 604 N MET A 581 -1.187 -9.509 1.870 1.00 0.00 N ATOM 605 CA MET A 581 -2.288 -9.375 0.927 1.00 0.00 C ATOM 606 C MET A 581 -3.606 -9.308 1.693 1.00 0.00 C ATOM 607 O MET A 581 -4.562 -8.659 1.264 1.00 0.00 O ATOM 608 CB MET A 581 -2.299 -10.549 -0.055 1.00 0.00 C ATOM 609 CG MET A 581 -3.449 -10.501 -1.050 1.00 0.00 C ATOM 610 SD MET A 581 -2.891 -10.313 -2.754 1.00 0.00 S ATOM 611 CE MET A 581 -1.926 -8.810 -2.632 1.00 0.00 C ATOM 0 H MET A 581 -0.613 -10.343 1.742 1.00 0.00 H new ATOM 0 HA MET A 581 -2.159 -8.457 0.354 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.357 -10.563 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.355 -11.481 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.037 -11.415 -0.964 1.00 0.00 H new ATOM 0 HG3 MET A 581 -4.110 -9.672 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 581 -2.524 -7.965 -2.974 1.00 0.00 H new ATOM 0 HE2 MET A 581 -1.632 -8.650 -1.595 1.00 0.00 H new ATOM 0 HE3 MET A 581 -1.034 -8.899 -3.252 1.00 0.00 H new ATOM 621 N ASP A 582 -3.635 -9.974 2.847 1.00 0.00 N ATOM 622 CA ASP A 582 -4.816 -9.988 3.699 1.00 0.00 C ATOM 623 C ASP A 582 -5.069 -8.602 4.279 1.00 0.00 C ATOM 624 O ASP A 582 -6.171 -8.067 4.164 1.00 0.00 O ATOM 625 CB ASP A 582 -4.646 -11.006 4.828 1.00 0.00 C ATOM 626 CG ASP A 582 -4.572 -12.431 4.316 1.00 0.00 C ATOM 627 OD1 ASP A 582 -5.641 -13.039 4.096 1.00 0.00 O ATOM 628 OD2 ASP A 582 -3.446 -12.939 4.134 1.00 0.00 O ATOM 0 H ASP A 582 -2.849 -10.512 3.211 1.00 0.00 H new ATOM 0 HA ASP A 582 -5.675 -10.276 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -3.739 -10.776 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -5.480 -10.916 5.523 1.00 0.00 H new ATOM 633 N ASP A 583 -4.041 -8.016 4.895 1.00 0.00 N ATOM 634 CA ASP A 583 -4.171 -6.681 5.476 1.00 0.00 C ATOM 635 C ASP A 583 -4.579 -5.678 4.406 1.00 0.00 C ATOM 636 O ASP A 583 -5.499 -4.886 4.598 1.00 0.00 O ATOM 637 CB ASP A 583 -2.853 -6.234 6.120 1.00 0.00 C ATOM 638 CG ASP A 583 -2.366 -7.206 7.176 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.083 -7.403 8.179 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.265 -7.771 7.000 1.00 0.00 O ATOM 0 H ASP A 583 -3.120 -8.440 5.003 1.00 0.00 H new ATOM 0 HA ASP A 583 -4.941 -6.723 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.091 -6.130 5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -2.987 -5.250 6.570 1.00 0.00 H new ATOM 645 N LEU A 584 -3.881 -5.726 3.276 1.00 0.00 N ATOM 646 CA LEU A 584 -4.153 -4.829 2.161 1.00 0.00 C ATOM 647 C LEU A 584 -5.604 -4.996 1.696 1.00 0.00 C ATOM 648 O LEU A 584 -6.279 -4.030 1.304 1.00 0.00 O ATOM 649 CB LEU A 584 -3.168 -5.123 1.025 1.00 0.00 C ATOM 650 CG LEU A 584 -2.512 -3.889 0.409 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.589 -4.275 -0.739 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.572 -2.907 -0.049 1.00 0.00 C ATOM 0 H LEU A 584 -3.118 -6.382 3.109 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.021 -3.794 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.386 -5.782 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.693 -5.668 0.240 1.00 0.00 H new ATOM 0 HG LEU A 584 -1.901 -3.406 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.136 -3.377 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -0.807 -4.938 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.163 -4.787 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -3.092 -2.031 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.210 -3.382 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.177 -2.601 0.804 1.00 0.00 H new ATOM 664 N ALA A 585 -6.088 -6.233 1.772 1.00 0.00 N ATOM 665 CA ALA A 585 -7.460 -6.539 1.399 1.00 0.00 C ATOM 666 C ALA A 585 -8.411 -6.055 2.489 1.00 0.00 C ATOM 667 O ALA A 585 -9.541 -5.653 2.211 1.00 0.00 O ATOM 668 CB ALA A 585 -7.629 -8.032 1.165 1.00 0.00 C ATOM 0 H ALA A 585 -5.548 -7.038 2.089 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.698 -6.022 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.662 -8.242 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -6.965 -8.352 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.382 -8.574 2.078 1.00 0.00 H new ATOM 674 N SER A 586 -7.933 -6.088 3.732 1.00 0.00 N ATOM 675 CA SER A 586 -8.724 -5.644 4.874 1.00 0.00 C ATOM 676 C SER A 586 -9.022 -4.156 4.757 1.00 0.00 C ATOM 677 O SER A 586 -10.113 -3.701 5.098 1.00 0.00 O ATOM 678 CB SER A 586 -7.984 -5.930 6.181 1.00 0.00 C ATOM 679 OG SER A 586 -8.790 -5.618 7.304 1.00 0.00 O ATOM 0 H SER A 586 -6.999 -6.419 3.972 1.00 0.00 H new ATOM 0 HA SER A 586 -9.665 -6.195 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 586 -7.696 -6.981 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 586 -7.064 -5.346 6.217 1.00 0.00 H new ATOM 0 HG SER A 586 -8.294 -5.811 8.127 1.00 0.00 H new ATOM 685 N LEU A 587 -8.049 -3.406 4.245 1.00 0.00 N ATOM 686 CA LEU A 587 -8.219 -1.968 4.055 1.00 0.00 C ATOM 687 C LEU A 587 -9.255 -1.709 2.966 1.00 0.00 C ATOM 688 O LEU A 587 -9.733 -0.585 2.807 1.00 0.00 O ATOM 689 CB LEU A 587 -6.898 -1.282 3.681 1.00 0.00 C ATOM 690 CG LEU A 587 -5.620 -2.059 4.005 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.401 -1.301 3.504 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.517 -2.313 5.501 1.00 0.00 C ATOM 0 H LEU A 587 -7.140 -3.767 3.956 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.560 -1.547 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.911 -1.073 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -6.854 -0.321 4.193 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.659 -3.023 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.499 -1.865 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.473 -1.169 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.356 -0.325 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -4.602 -2.867 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -5.497 -1.361 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.378 -2.894 5.832 1.00 0.00 H new ATOM 704 N LYS A 588 -9.596 -2.769 2.223 1.00 0.00 N ATOM 705 CA LYS A 588 -10.580 -2.709 1.146 1.00 0.00 C ATOM 706 C LYS A 588 -9.930 -2.470 -0.213 1.00 0.00 C ATOM 707 O LYS A 588 -10.609 -2.062 -1.156 1.00 0.00 O ATOM 708 CB LYS A 588 -11.637 -1.636 1.419 1.00 0.00 C ATOM 709 CG LYS A 588 -13.023 -2.004 0.911 1.00 0.00 C ATOM 710 CD LYS A 588 -13.430 -1.151 -0.279 1.00 0.00 C ATOM 711 CE LYS A 588 -14.584 -1.779 -1.044 1.00 0.00 C ATOM 712 NZ LYS A 588 -15.903 -1.262 -0.587 1.00 0.00 N ATOM 0 H LYS A 588 -9.192 -3.696 2.356 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.069 -3.683 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -11.689 -1.454 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -11.324 -0.702 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -13.039 -3.056 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -13.750 -1.879 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -13.718 -0.158 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -12.577 -1.023 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -14.465 -1.578 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -14.556 -2.861 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -16.662 -1.716 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -16.029 -1.476 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -15.941 -0.233 -0.730 1.00 0.00 H new ATOM 726 N ILE A 589 -8.627 -2.740 -0.340 1.00 0.00 N ATOM 727 CA ILE A 589 -7.967 -2.551 -1.626 1.00 0.00 C ATOM 728 C ILE A 589 -8.247 -3.752 -2.534 1.00 0.00 C ATOM 729 O ILE A 589 -7.987 -4.895 -2.161 1.00 0.00 O ATOM 730 CB ILE A 589 -6.445 -2.326 -1.468 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.190 -0.920 -0.920 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.719 -2.511 -2.797 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.746 -0.897 0.523 1.00 0.00 C ATOM 0 H ILE A 589 -8.027 -3.080 0.411 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.375 -1.650 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 589 -6.057 -3.067 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.429 -0.435 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -7.102 -0.331 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.651 -2.346 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.884 -3.524 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -6.102 -1.795 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.586 0.134 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.515 -1.352 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.816 -1.457 0.627 1.00 0.00 H new ATOM 745 N PRO A 590 -8.804 -3.508 -3.734 1.00 0.00 N ATOM 746 CA PRO A 590 -9.141 -4.576 -4.687 1.00 0.00 C ATOM 747 C PRO A 590 -7.954 -5.474 -5.022 1.00 0.00 C ATOM 748 O PRO A 590 -6.805 -5.035 -5.009 1.00 0.00 O ATOM 749 CB PRO A 590 -9.606 -3.810 -5.929 1.00 0.00 C ATOM 750 CG PRO A 590 -10.077 -2.499 -5.404 1.00 0.00 C ATOM 751 CD PRO A 590 -9.168 -2.177 -4.252 1.00 0.00 C ATOM 0 HA PRO A 590 -9.890 -5.255 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.793 -3.682 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -10.405 -4.341 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -10.025 -1.727 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -11.116 -2.557 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -8.291 -1.616 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.672 -1.574 -3.497 1.00 0.00 H new ATOM 759 N GLU A 591 -8.248 -6.737 -5.326 1.00 0.00 N ATOM 760 CA GLU A 591 -7.215 -7.710 -5.669 1.00 0.00 C ATOM 761 C GLU A 591 -6.382 -7.230 -6.852 1.00 0.00 C ATOM 762 O GLU A 591 -5.190 -7.525 -6.947 1.00 0.00 O ATOM 763 CB GLU A 591 -7.851 -9.062 -5.998 1.00 0.00 C ATOM 764 CG GLU A 591 -6.892 -10.234 -5.864 1.00 0.00 C ATOM 765 CD GLU A 591 -6.994 -11.207 -7.022 1.00 0.00 C ATOM 766 OE1 GLU A 591 -8.128 -11.590 -7.378 1.00 0.00 O ATOM 767 OE2 GLU A 591 -5.939 -11.587 -7.573 1.00 0.00 O ATOM 0 H GLU A 591 -9.197 -7.110 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.557 -7.821 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -8.703 -9.223 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -8.237 -9.034 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -5.871 -9.858 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -7.097 -10.761 -4.932 1.00 0.00 H new ATOM 774 N GLN A 592 -7.019 -6.492 -7.753 1.00 0.00 N ATOM 775 CA GLN A 592 -6.343 -5.972 -8.935 1.00 0.00 C ATOM 776 C GLN A 592 -5.362 -4.859 -8.572 1.00 0.00 C ATOM 777 O GLN A 592 -4.508 -4.490 -9.378 1.00 0.00 O ATOM 778 CB GLN A 592 -7.371 -5.447 -9.938 1.00 0.00 C ATOM 779 CG GLN A 592 -6.966 -5.650 -11.389 1.00 0.00 C ATOM 780 CD GLN A 592 -8.158 -5.712 -12.322 1.00 0.00 C ATOM 781 OE1 GLN A 592 -9.277 -6.002 -11.901 1.00 0.00 O ATOM 782 NE2 GLN A 592 -7.924 -5.438 -13.601 1.00 0.00 N ATOM 0 H GLN A 592 -8.005 -6.240 -7.687 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.779 -6.789 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -8.324 -5.946 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -7.530 -4.384 -9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -6.310 -4.836 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -6.392 -6.572 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -6.980 -5.202 -13.908 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -8.688 -5.464 -14.276 1.00 0.00 H new ATOM 791 N PHE A 593 -5.492 -4.317 -7.363 1.00 0.00 N ATOM 792 CA PHE A 593 -4.616 -3.238 -6.918 1.00 0.00 C ATOM 793 C PHE A 593 -3.699 -3.686 -5.782 1.00 0.00 C ATOM 794 O PHE A 593 -2.493 -3.444 -5.820 1.00 0.00 O ATOM 795 CB PHE A 593 -5.447 -2.034 -6.473 1.00 0.00 C ATOM 796 CG PHE A 593 -6.201 -1.380 -7.595 1.00 0.00 C ATOM 797 CD1 PHE A 593 -5.525 -0.792 -8.651 1.00 0.00 C ATOM 798 CD2 PHE A 593 -7.585 -1.355 -7.593 1.00 0.00 C ATOM 799 CE1 PHE A 593 -6.216 -0.190 -9.686 1.00 0.00 C ATOM 800 CE2 PHE A 593 -8.283 -0.756 -8.624 1.00 0.00 C ATOM 801 CZ PHE A 593 -7.598 -0.173 -9.672 1.00 0.00 C ATOM 0 H PHE A 593 -6.191 -4.606 -6.679 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.988 -2.954 -7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -6.155 -2.354 -5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.788 -1.299 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -4.445 -0.804 -8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -8.126 -1.809 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -5.677 0.266 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -9.363 -0.744 -8.610 1.00 0.00 H new ATOM 0 HZ PHE A 593 -8.141 0.295 -10.479 1.00 0.00 H new ATOM 811 N ARG A 594 -4.270 -4.328 -4.765 1.00 0.00 N ATOM 812 CA ARG A 594 -3.484 -4.785 -3.622 1.00 0.00 C ATOM 813 C ARG A 594 -2.333 -5.683 -4.063 1.00 0.00 C ATOM 814 O ARG A 594 -1.316 -5.775 -3.381 1.00 0.00 O ATOM 815 CB ARG A 594 -4.361 -5.525 -2.608 1.00 0.00 C ATOM 816 CG ARG A 594 -5.065 -6.745 -3.175 1.00 0.00 C ATOM 817 CD ARG A 594 -6.285 -7.115 -2.344 1.00 0.00 C ATOM 818 NE ARG A 594 -6.088 -8.356 -1.596 1.00 0.00 N ATOM 819 CZ ARG A 594 -6.677 -9.515 -1.894 1.00 0.00 C ATOM 820 NH1 ARG A 594 -7.496 -9.613 -2.934 1.00 0.00 N ATOM 821 NH2 ARG A 594 -6.445 -10.584 -1.144 1.00 0.00 N ATOM 0 H ARG A 594 -5.266 -4.542 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 594 -3.068 -3.898 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -3.743 -5.834 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -5.109 -4.835 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -5.369 -6.547 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -4.373 -7.587 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -6.508 -6.305 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -7.150 -7.221 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 594 -5.459 -8.334 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -7.681 -8.796 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -7.940 -10.505 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -5.818 -10.518 -0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -6.894 -11.472 -1.369 1.00 0.00 H new ATOM 835 N HIS A 595 -2.491 -6.344 -5.206 1.00 0.00 N ATOM 836 CA HIS A 595 -1.447 -7.226 -5.715 1.00 0.00 C ATOM 837 C HIS A 595 -0.210 -6.423 -6.105 1.00 0.00 C ATOM 838 O HIS A 595 0.906 -6.739 -5.689 1.00 0.00 O ATOM 839 CB HIS A 595 -1.957 -8.021 -6.918 1.00 0.00 C ATOM 840 CG HIS A 595 -1.405 -9.410 -6.991 1.00 0.00 C ATOM 841 ND1 HIS A 595 -0.999 -9.999 -8.170 1.00 0.00 N ATOM 842 CD2 HIS A 595 -1.192 -10.330 -6.020 1.00 0.00 C ATOM 843 CE1 HIS A 595 -0.560 -11.220 -7.921 1.00 0.00 C ATOM 844 NE2 HIS A 595 -0.667 -11.446 -6.625 1.00 0.00 N ATOM 0 H HIS A 595 -3.324 -6.287 -5.792 1.00 0.00 H new ATOM 0 HA HIS A 595 -1.175 -7.924 -4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -3.045 -8.072 -6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -1.699 -7.487 -7.833 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -1.397 -10.209 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 595 -0.178 -11.915 -8.654 1.00 0.00 H new ATOM 0 HE2 HIS A 595 -0.403 -12.309 -6.150 1.00 0.00 H new ATOM 853 N ALA A 596 -0.415 -5.373 -6.893 1.00 0.00 N ATOM 854 CA ALA A 596 0.682 -4.518 -7.323 1.00 0.00 C ATOM 855 C ALA A 596 1.248 -3.750 -6.139 1.00 0.00 C ATOM 856 O ALA A 596 2.464 -3.670 -5.952 1.00 0.00 O ATOM 857 CB ALA A 596 0.218 -3.560 -8.409 1.00 0.00 C ATOM 0 H ALA A 596 -1.331 -5.095 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 596 1.470 -5.147 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 596 1.051 -2.929 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 596 -0.144 -4.129 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.587 -2.935 -8.023 1.00 0.00 H new ATOM 863 N ILE A 597 0.351 -3.198 -5.332 1.00 0.00 N ATOM 864 CA ILE A 597 0.749 -2.445 -4.150 1.00 0.00 C ATOM 865 C ILE A 597 1.532 -3.338 -3.196 1.00 0.00 C ATOM 866 O ILE A 597 2.564 -2.936 -2.660 1.00 0.00 O ATOM 867 CB ILE A 597 -0.476 -1.855 -3.422 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.312 -1.012 -4.385 1.00 0.00 C ATOM 869 CG2 ILE A 597 -0.037 -1.018 -2.227 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.698 -0.698 -3.868 1.00 0.00 C ATOM 0 H ILE A 597 -0.657 -3.258 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 597 1.382 -1.621 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 597 -1.090 -2.679 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.788 -0.078 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.398 -1.539 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -0.915 -0.610 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.521 -1.643 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.598 -0.201 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -3.233 -0.097 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.241 -1.627 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.621 -0.143 -2.933 1.00 0.00 H new ATOM 882 N TRP A 598 1.043 -4.563 -3.001 1.00 0.00 N ATOM 883 CA TRP A 598 1.711 -5.518 -2.125 1.00 0.00 C ATOM 884 C TRP A 598 3.131 -5.769 -2.613 1.00 0.00 C ATOM 885 O TRP A 598 4.080 -5.761 -1.828 1.00 0.00 O ATOM 886 CB TRP A 598 0.936 -6.838 -2.072 1.00 0.00 C ATOM 887 CG TRP A 598 1.461 -7.792 -1.043 1.00 0.00 C ATOM 888 CD1 TRP A 598 1.919 -7.480 0.205 1.00 0.00 C ATOM 889 CD2 TRP A 598 1.581 -9.213 -1.172 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.317 -8.620 0.860 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.119 -9.697 0.036 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.284 -10.124 -2.190 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.366 -11.051 0.251 1.00 0.00 C ATOM 894 CZ3 TRP A 598 1.531 -11.467 -1.975 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.067 -11.919 -0.762 1.00 0.00 C ATOM 0 H TRP A 598 0.190 -4.914 -3.437 1.00 0.00 H new ATOM 0 HA TRP A 598 1.747 -5.097 -1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 598 -0.112 -6.628 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 598 0.975 -7.314 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.962 -6.483 0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.698 -8.659 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 598 0.869 -9.785 -3.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 2.779 -11.403 1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.307 -12.180 -2.755 1.00 0.00 H new ATOM 0 HH2 TRP A 598 2.248 -12.975 -0.624 1.00 0.00 H new ATOM 906 N LYS A 599 3.272 -5.978 -3.920 1.00 0.00 N ATOM 907 CA LYS A 599 4.581 -6.212 -4.515 1.00 0.00 C ATOM 908 C LYS A 599 5.521 -5.061 -4.174 1.00 0.00 C ATOM 909 O LYS A 599 6.678 -5.274 -3.810 1.00 0.00 O ATOM 910 CB LYS A 599 4.458 -6.363 -6.035 1.00 0.00 C ATOM 911 CG LYS A 599 4.792 -7.757 -6.537 1.00 0.00 C ATOM 912 CD LYS A 599 3.796 -8.787 -6.029 1.00 0.00 C ATOM 913 CE LYS A 599 3.794 -10.037 -6.896 1.00 0.00 C ATOM 914 NZ LYS A 599 3.841 -11.280 -6.077 1.00 0.00 N ATOM 0 H LYS A 599 2.497 -5.990 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 599 4.991 -7.136 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.441 -6.112 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 599 5.120 -5.644 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 599 4.796 -7.761 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 599 5.796 -8.030 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 599 4.042 -9.056 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 599 2.797 -8.352 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 599 2.899 -10.046 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 599 4.651 -10.013 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 3.838 -12.109 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 4.707 -11.284 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 3.010 -11.316 -5.452 1.00 0.00 H new ATOM 928 N GLY A 600 5.004 -3.840 -4.278 1.00 0.00 N ATOM 929 CA GLY A 600 5.799 -2.671 -3.960 1.00 0.00 C ATOM 930 C GLY A 600 6.285 -2.696 -2.525 1.00 0.00 C ATOM 931 O GLY A 600 7.446 -2.392 -2.251 1.00 0.00 O ATOM 0 H GLY A 600 4.049 -3.641 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.655 -2.619 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.207 -1.772 -4.128 1.00 0.00 H new ATOM 935 N ILE A 601 5.396 -3.071 -1.609 1.00 0.00 N ATOM 936 CA ILE A 601 5.745 -3.150 -0.196 1.00 0.00 C ATOM 937 C ILE A 601 6.851 -4.177 0.020 1.00 0.00 C ATOM 938 O ILE A 601 7.781 -3.952 0.796 1.00 0.00 O ATOM 939 CB ILE A 601 4.524 -3.529 0.673 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.383 -2.525 0.468 1.00 0.00 C ATOM 941 CG2 ILE A 601 4.917 -3.599 2.144 1.00 0.00 C ATOM 942 CD1 ILE A 601 2.233 -2.700 1.437 1.00 0.00 C ATOM 0 H ILE A 601 4.431 -3.324 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 601 6.092 -2.162 0.107 1.00 0.00 H new ATOM 0 HB ILE A 601 4.174 -4.513 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.779 -1.514 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 601 3.006 -2.621 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.045 -3.867 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.694 -4.352 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.293 -2.628 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 601 1.466 -1.954 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 601 1.810 -3.698 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 601 2.595 -2.574 2.457 1.00 0.00 H new ATOM 954 N LEU A 602 6.743 -5.306 -0.675 1.00 0.00 N ATOM 955 CA LEU A 602 7.730 -6.371 -0.566 1.00 0.00 C ATOM 956 C LEU A 602 9.111 -5.873 -0.977 1.00 0.00 C ATOM 957 O LEU A 602 10.110 -6.173 -0.323 1.00 0.00 O ATOM 958 CB LEU A 602 7.322 -7.558 -1.439 1.00 0.00 C ATOM 959 CG LEU A 602 6.313 -8.515 -0.803 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.814 -9.524 -1.827 1.00 0.00 C ATOM 961 CD2 LEU A 602 6.933 -9.227 0.390 1.00 0.00 C ATOM 0 H LEU A 602 5.979 -5.505 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 602 7.774 -6.691 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 602 6.901 -7.177 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 602 8.218 -8.121 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 602 5.461 -7.933 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 602 5.097 -10.196 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 602 5.331 -8.998 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 602 6.656 -10.101 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 602 6.201 -9.904 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 602 7.803 -9.796 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 602 7.240 -8.491 1.133 1.00 0.00 H new ATOM 973 N ASP A 603 9.160 -5.108 -2.064 1.00 0.00 N ATOM 974 CA ASP A 603 10.418 -4.565 -2.563 1.00 0.00 C ATOM 975 C ASP A 603 11.139 -3.776 -1.475 1.00 0.00 C ATOM 976 O ASP A 603 12.369 -3.776 -1.404 1.00 0.00 O ATOM 977 CB ASP A 603 10.165 -3.669 -3.777 1.00 0.00 C ATOM 978 CG ASP A 603 11.243 -3.811 -4.834 1.00 0.00 C ATOM 979 OD1 ASP A 603 12.361 -4.246 -4.488 1.00 0.00 O ATOM 980 OD2 ASP A 603 10.968 -3.487 -6.009 1.00 0.00 O ATOM 0 H ASP A 603 8.342 -4.850 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 603 11.052 -5.399 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 603 9.197 -3.917 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 603 10.112 -2.630 -3.453 1.00 0.00 H new