USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 379 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 380 THR OG1 : rot 180:sc= 0 USER MOD Single : A 358 THR OG1 : rot 103:sc= 0.74 USER MOD Single : A 360 THR OG1 : rot 114:sc= 1.09 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 TYR OH : rot 180:sc= 0 USER MOD Single : A 371 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -138:sc= -13.1! (180deg=-17.2!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc=-0.00788 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : A 416 THR OG1 : rot 73:sc= 0.0716 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -11.622 3.799 -17.740 1.00 0.00 N ATOM 44 CA ALA A 354 -11.554 2.336 -17.464 1.00 0.00 C ATOM 45 C ALA A 354 -10.252 2.011 -16.729 1.00 0.00 C ATOM 46 O ALA A 354 -10.214 1.165 -15.858 1.00 0.00 O ATOM 47 CB ALA A 354 -11.596 1.567 -18.786 1.00 0.00 C ATOM 0 HA ALA A 354 -12.402 2.045 -16.844 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -11.546 0.497 -18.586 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -12.524 1.795 -19.311 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -10.748 1.860 -19.405 1.00 0.00 H new ATOM 53 N ALA A 355 -9.182 2.674 -17.075 1.00 0.00 N ATOM 54 CA ALA A 355 -7.883 2.397 -16.397 1.00 0.00 C ATOM 55 C ALA A 355 -7.982 2.779 -14.919 1.00 0.00 C ATOM 56 O ALA A 355 -7.407 2.138 -14.062 1.00 0.00 O ATOM 57 CB ALA A 355 -6.776 3.214 -17.064 1.00 0.00 C ATOM 0 H ALA A 355 -9.151 3.394 -17.797 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.651 1.335 -16.479 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -5.826 3.012 -16.569 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -6.703 2.937 -18.116 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.009 4.276 -16.983 1.00 0.00 H new ATOM 63 N ILE A 356 -8.709 3.818 -14.612 1.00 0.00 N ATOM 64 CA ILE A 356 -8.845 4.237 -13.189 1.00 0.00 C ATOM 65 C ILE A 356 -9.617 3.167 -12.421 1.00 0.00 C ATOM 66 O ILE A 356 -9.232 2.758 -11.343 1.00 0.00 O ATOM 67 CB ILE A 356 -9.600 5.566 -13.115 1.00 0.00 C ATOM 68 CG1 ILE A 356 -8.919 6.592 -14.023 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.592 6.078 -11.672 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.426 6.644 -13.699 1.00 0.00 C ATOM 0 H ILE A 356 -9.214 4.394 -15.285 1.00 0.00 H new ATOM 0 HA ILE A 356 -7.856 4.361 -12.749 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.629 5.417 -13.443 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -9.066 6.323 -15.069 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.368 7.575 -13.880 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -10.130 7.025 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -10.077 5.348 -11.024 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.563 6.226 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -6.939 7.374 -14.345 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -7.290 6.933 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -6.983 5.662 -13.864 1.00 0.00 H new ATOM 82 N ASP A 357 -10.705 2.708 -12.970 1.00 0.00 N ATOM 83 CA ASP A 357 -11.502 1.660 -12.278 1.00 0.00 C ATOM 84 C ASP A 357 -10.737 0.339 -12.319 1.00 0.00 C ATOM 85 O ASP A 357 -10.665 -0.377 -11.339 1.00 0.00 O ATOM 86 CB ASP A 357 -12.850 1.494 -12.983 1.00 0.00 C ATOM 87 CG ASP A 357 -13.680 2.767 -12.803 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.314 3.577 -11.967 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.669 2.910 -13.504 1.00 0.00 O ATOM 0 H ASP A 357 -11.077 3.014 -13.869 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.672 1.953 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -12.696 1.295 -14.043 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.384 0.637 -12.572 1.00 0.00 H new ATOM 94 N THR A 358 -10.158 0.011 -13.442 1.00 0.00 N ATOM 95 CA THR A 358 -9.392 -1.263 -13.534 1.00 0.00 C ATOM 96 C THR A 358 -8.418 -1.339 -12.362 1.00 0.00 C ATOM 97 O THR A 358 -8.524 -2.193 -11.506 1.00 0.00 O ATOM 98 CB THR A 358 -8.613 -1.297 -14.851 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.507 -1.090 -15.935 1.00 0.00 O ATOM 100 CG2 THR A 358 -7.927 -2.656 -15.005 1.00 0.00 C ATOM 0 H THR A 358 -10.182 0.568 -14.296 1.00 0.00 H new ATOM 0 HA THR A 358 -10.077 -2.110 -13.501 1.00 0.00 H new ATOM 0 HB THR A 358 -7.859 -0.510 -14.847 1.00 0.00 H new ATOM 0 HG1 THR A 358 -9.416 -0.171 -16.263 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.372 -2.679 -15.943 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.240 -2.813 -14.173 1.00 0.00 H new ATOM 0 HG23 THR A 358 -8.679 -3.445 -15.008 1.00 0.00 H new ATOM 108 N PHE A 359 -7.476 -0.442 -12.313 1.00 0.00 N ATOM 109 CA PHE A 359 -6.502 -0.451 -11.188 1.00 0.00 C ATOM 110 C PHE A 359 -7.276 -0.522 -9.872 1.00 0.00 C ATOM 111 O PHE A 359 -6.934 -1.264 -8.974 1.00 0.00 O ATOM 112 CB PHE A 359 -5.675 0.838 -11.219 1.00 0.00 C ATOM 113 CG PHE A 359 -4.688 0.798 -12.365 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.549 -0.358 -13.148 1.00 0.00 C ATOM 115 CD2 PHE A 359 -3.907 1.926 -12.644 1.00 0.00 C ATOM 116 CE1 PHE A 359 -3.630 -0.380 -14.205 1.00 0.00 C ATOM 117 CE2 PHE A 359 -2.990 1.903 -13.700 1.00 0.00 C ATOM 118 CZ PHE A 359 -2.851 0.750 -14.480 1.00 0.00 C ATOM 0 H PHE A 359 -7.338 0.297 -13.003 1.00 0.00 H new ATOM 0 HA PHE A 359 -5.836 -1.309 -11.279 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.334 1.699 -11.327 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.143 0.960 -10.275 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.150 -1.230 -12.936 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.013 2.816 -12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.522 -1.269 -14.808 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -2.390 2.775 -13.913 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.142 0.732 -15.295 1.00 0.00 H new ATOM 128 N THR A 360 -8.325 0.247 -9.759 1.00 0.00 N ATOM 129 CA THR A 360 -9.134 0.233 -8.509 1.00 0.00 C ATOM 130 C THR A 360 -9.812 -1.129 -8.360 1.00 0.00 C ATOM 131 O THR A 360 -10.057 -1.596 -7.266 1.00 0.00 O ATOM 132 CB THR A 360 -10.202 1.325 -8.580 1.00 0.00 C ATOM 133 OG1 THR A 360 -9.597 2.558 -8.947 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.874 1.472 -7.214 1.00 0.00 C ATOM 0 H THR A 360 -8.657 0.886 -10.482 1.00 0.00 H new ATOM 0 HA THR A 360 -8.484 0.415 -7.653 1.00 0.00 H new ATOM 0 HB THR A 360 -10.950 1.053 -9.325 1.00 0.00 H new ATOM 0 HG1 THR A 360 -9.925 2.834 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 360 -11.635 2.250 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 360 -11.340 0.527 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 360 -10.127 1.743 -6.468 1.00 0.00 H new ATOM 142 N LYS A 361 -10.119 -1.768 -9.454 1.00 0.00 N ATOM 143 CA LYS A 361 -10.786 -3.097 -9.379 1.00 0.00 C ATOM 144 C LYS A 361 -9.741 -4.179 -9.095 1.00 0.00 C ATOM 145 O LYS A 361 -10.015 -5.164 -8.440 1.00 0.00 O ATOM 146 CB LYS A 361 -11.474 -3.397 -10.711 1.00 0.00 C ATOM 147 CG LYS A 361 -11.963 -4.847 -10.713 1.00 0.00 C ATOM 148 CD LYS A 361 -12.436 -5.226 -12.118 1.00 0.00 C ATOM 149 CE LYS A 361 -13.240 -6.526 -12.049 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.559 -6.335 -12.717 1.00 0.00 N ATOM 0 H LYS A 361 -9.937 -1.427 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.526 -3.086 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.313 -2.718 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.781 -3.234 -11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -11.160 -5.513 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.778 -4.968 -9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -13.050 -4.427 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.580 -5.350 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.689 -7.332 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -13.387 -6.820 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -15.104 -7.220 -12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -15.085 -5.578 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -14.409 -6.074 -13.713 1.00 0.00 H new ATOM 164 N TYR A 362 -8.549 -4.010 -9.595 1.00 0.00 N ATOM 165 CA TYR A 362 -7.494 -5.037 -9.367 1.00 0.00 C ATOM 166 C TYR A 362 -6.540 -4.580 -8.263 1.00 0.00 C ATOM 167 O TYR A 362 -6.387 -5.232 -7.250 1.00 0.00 O ATOM 168 CB TYR A 362 -6.709 -5.236 -10.663 1.00 0.00 C ATOM 169 CG TYR A 362 -7.569 -5.982 -11.653 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.490 -5.284 -12.443 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.449 -7.371 -11.780 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.292 -5.974 -13.359 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.250 -8.061 -12.698 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.171 -7.363 -13.487 1.00 0.00 C ATOM 175 OH TYR A 362 -9.960 -8.044 -14.391 1.00 0.00 O ATOM 0 H TYR A 362 -8.259 -3.206 -10.151 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.963 -5.973 -9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.413 -4.271 -11.075 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.793 -5.793 -10.466 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.582 -4.212 -12.346 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.739 -7.910 -11.170 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -10.004 -5.435 -13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -8.157 -9.132 -12.797 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.749 -9.000 -14.354 1.00 0.00 H new ATOM 185 N LEU A 363 -5.886 -3.472 -8.461 1.00 0.00 N ATOM 186 CA LEU A 363 -4.928 -2.976 -7.435 1.00 0.00 C ATOM 187 C LEU A 363 -5.668 -2.654 -6.135 1.00 0.00 C ATOM 188 O LEU A 363 -5.068 -2.521 -5.087 1.00 0.00 O ATOM 189 CB LEU A 363 -4.241 -1.718 -7.965 1.00 0.00 C ATOM 190 CG LEU A 363 -3.677 -2.009 -9.358 1.00 0.00 C ATOM 191 CD1 LEU A 363 -3.140 -0.717 -9.972 1.00 0.00 C ATOM 192 CD2 LEU A 363 -2.547 -3.034 -9.246 1.00 0.00 C ATOM 0 H LEU A 363 -5.973 -2.886 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 363 -4.184 -3.746 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -4.951 -0.892 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.441 -1.413 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 363 -4.467 -2.409 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -2.739 -0.925 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -3.948 0.011 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -2.350 -0.314 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -2.145 -3.242 -10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -1.756 -2.636 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -2.934 -3.956 -8.811 1.00 0.00 H new ATOM 204 N ASP A 364 -6.966 -2.531 -6.188 1.00 0.00 N ATOM 205 CA ASP A 364 -7.733 -2.222 -4.949 1.00 0.00 C ATOM 206 C ASP A 364 -7.268 -0.879 -4.388 1.00 0.00 C ATOM 207 O ASP A 364 -6.856 -0.777 -3.249 1.00 0.00 O ATOM 208 CB ASP A 364 -7.491 -3.318 -3.909 1.00 0.00 C ATOM 209 CG ASP A 364 -8.031 -4.649 -4.433 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.799 -4.623 -5.381 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.670 -5.673 -3.877 1.00 0.00 O ATOM 0 H ASP A 364 -7.527 -2.631 -7.034 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.796 -2.173 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -6.425 -3.404 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.982 -3.058 -2.971 1.00 0.00 H new ATOM 216 N ILE A 365 -7.329 0.153 -5.181 1.00 0.00 N ATOM 217 CA ILE A 365 -6.890 1.491 -4.702 1.00 0.00 C ATOM 218 C ILE A 365 -8.039 2.486 -4.856 1.00 0.00 C ATOM 219 O ILE A 365 -9.130 2.130 -5.255 1.00 0.00 O ATOM 220 CB ILE A 365 -5.700 1.958 -5.541 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.904 1.528 -6.994 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.416 1.327 -4.998 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.310 2.581 -7.929 1.00 0.00 C ATOM 0 H ILE A 365 -7.665 0.127 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.600 1.429 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.621 3.044 -5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -5.429 0.563 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.967 1.402 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.567 1.659 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.272 1.631 -3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.494 0.241 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.456 2.273 -8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.806 3.537 -7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.244 2.685 -7.729 1.00 0.00 H new ATOM 235 N ASP A 366 -7.803 3.731 -4.550 1.00 0.00 N ATOM 236 CA ASP A 366 -8.884 4.745 -4.689 1.00 0.00 C ATOM 237 C ASP A 366 -8.907 5.253 -6.130 1.00 0.00 C ATOM 238 O ASP A 366 -7.965 5.074 -6.875 1.00 0.00 O ATOM 239 CB ASP A 366 -8.626 5.913 -3.735 1.00 0.00 C ATOM 240 CG ASP A 366 -8.333 5.373 -2.334 1.00 0.00 C ATOM 241 OD1 ASP A 366 -8.767 4.269 -2.044 1.00 0.00 O ATOM 242 OD2 ASP A 366 -7.680 6.070 -1.575 1.00 0.00 O ATOM 0 H ASP A 366 -6.910 4.089 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 366 -9.844 4.292 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -7.784 6.507 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.493 6.573 -3.708 1.00 0.00 H new ATOM 247 N GLU A 367 -9.979 5.875 -6.533 1.00 0.00 N ATOM 248 CA GLU A 367 -10.060 6.380 -7.932 1.00 0.00 C ATOM 249 C GLU A 367 -9.066 7.526 -8.135 1.00 0.00 C ATOM 250 O GLU A 367 -8.520 7.701 -9.205 1.00 0.00 O ATOM 251 CB GLU A 367 -11.478 6.879 -8.213 1.00 0.00 C ATOM 252 CG GLU A 367 -11.614 7.202 -9.703 1.00 0.00 C ATOM 253 CD GLU A 367 -12.979 7.842 -9.961 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.724 8.003 -9.010 1.00 0.00 O ATOM 255 OE2 GLU A 367 -13.254 8.162 -11.106 1.00 0.00 O ATOM 0 H GLU A 367 -10.801 6.055 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.814 5.569 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -12.206 6.121 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -11.689 7.766 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -10.818 7.879 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -11.509 6.293 -10.295 1.00 0.00 H new ATOM 262 N ASP A 368 -8.829 8.309 -7.120 1.00 0.00 N ATOM 263 CA ASP A 368 -7.872 9.442 -7.268 1.00 0.00 C ATOM 264 C ASP A 368 -6.442 8.902 -7.307 1.00 0.00 C ATOM 265 O ASP A 368 -5.548 9.522 -7.849 1.00 0.00 O ATOM 266 CB ASP A 368 -8.024 10.396 -6.083 1.00 0.00 C ATOM 267 CG ASP A 368 -9.403 11.057 -6.131 1.00 0.00 C ATOM 268 OD1 ASP A 368 -10.040 10.978 -7.168 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.798 11.630 -5.130 1.00 0.00 O ATOM 0 H ASP A 368 -9.254 8.215 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 368 -8.083 9.976 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.903 9.851 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -7.244 11.156 -6.113 1.00 0.00 H new ATOM 274 N PHE A 369 -6.216 7.751 -6.737 1.00 0.00 N ATOM 275 CA PHE A 369 -4.841 7.174 -6.744 1.00 0.00 C ATOM 276 C PHE A 369 -4.603 6.444 -8.065 1.00 0.00 C ATOM 277 O PHE A 369 -3.596 6.635 -8.718 1.00 0.00 O ATOM 278 CB PHE A 369 -4.694 6.187 -5.585 1.00 0.00 C ATOM 279 CG PHE A 369 -3.291 5.629 -5.578 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.245 6.371 -5.017 1.00 0.00 C ATOM 281 CD2 PHE A 369 -3.036 4.368 -6.131 1.00 0.00 C ATOM 282 CE1 PHE A 369 -0.944 5.855 -5.011 1.00 0.00 C ATOM 283 CE2 PHE A 369 -1.735 3.852 -6.125 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.689 4.594 -5.565 1.00 0.00 C ATOM 0 H PHE A 369 -6.922 7.185 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 369 -4.111 7.976 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.904 6.686 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.418 5.379 -5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -2.442 7.343 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -3.843 3.794 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -0.137 6.429 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -1.538 2.880 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.314 4.195 -5.560 1.00 0.00 H new ATOM 294 N ALA A 370 -5.522 5.610 -8.467 1.00 0.00 N ATOM 295 CA ALA A 370 -5.347 4.871 -9.748 1.00 0.00 C ATOM 296 C ALA A 370 -4.901 5.849 -10.836 1.00 0.00 C ATOM 297 O ALA A 370 -3.959 5.599 -11.560 1.00 0.00 O ATOM 298 CB ALA A 370 -6.676 4.227 -10.149 1.00 0.00 C ATOM 0 H ALA A 370 -6.386 5.409 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.592 4.094 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.550 3.686 -11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.994 3.534 -9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.432 5.002 -10.276 1.00 0.00 H new ATOM 304 N THR A 371 -5.573 6.961 -10.957 1.00 0.00 N ATOM 305 CA THR A 371 -5.184 7.952 -12.000 1.00 0.00 C ATOM 306 C THR A 371 -3.680 8.209 -11.920 1.00 0.00 C ATOM 307 O THR A 371 -3.004 8.280 -12.923 1.00 0.00 O ATOM 308 CB THR A 371 -5.938 9.265 -11.775 1.00 0.00 C ATOM 309 OG1 THR A 371 -7.301 8.985 -11.489 1.00 0.00 O ATOM 310 CG2 THR A 371 -5.844 10.127 -13.035 1.00 0.00 C ATOM 0 H THR A 371 -6.372 7.226 -10.381 1.00 0.00 H new ATOM 0 HA THR A 371 -5.437 7.557 -12.984 1.00 0.00 H new ATOM 0 HB THR A 371 -5.496 9.801 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 371 -7.784 9.825 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 371 -6.380 11.063 -12.877 1.00 0.00 H new ATOM 0 HG22 THR A 371 -4.798 10.341 -13.252 1.00 0.00 H new ATOM 0 HG23 THR A 371 -6.287 9.593 -13.875 1.00 0.00 H new ATOM 318 N VAL A 372 -3.148 8.347 -10.739 1.00 0.00 N ATOM 319 CA VAL A 372 -1.684 8.595 -10.612 1.00 0.00 C ATOM 320 C VAL A 372 -0.921 7.516 -11.382 1.00 0.00 C ATOM 321 O VAL A 372 0.122 7.766 -11.952 1.00 0.00 O ATOM 322 CB VAL A 372 -1.287 8.552 -9.137 1.00 0.00 C ATOM 323 CG1 VAL A 372 0.237 8.625 -9.011 1.00 0.00 C ATOM 324 CG2 VAL A 372 -1.914 9.741 -8.410 1.00 0.00 C ATOM 0 H VAL A 372 -3.660 8.299 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.440 9.575 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 372 -1.642 7.622 -8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 372 0.517 8.594 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 372 0.686 7.779 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 372 0.595 9.554 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -1.633 9.713 -7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.558 10.669 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -2.999 9.690 -8.497 1.00 0.00 H new ATOM 334 N LEU A 373 -1.437 6.317 -11.409 1.00 0.00 N ATOM 335 CA LEU A 373 -0.743 5.227 -12.151 1.00 0.00 C ATOM 336 C LEU A 373 -0.986 5.416 -13.650 1.00 0.00 C ATOM 337 O LEU A 373 -0.087 5.286 -14.457 1.00 0.00 O ATOM 338 CB LEU A 373 -1.296 3.870 -11.708 1.00 0.00 C ATOM 339 CG LEU A 373 -0.994 3.646 -10.224 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.411 4.161 -9.901 1.00 0.00 C ATOM 341 CD2 LEU A 373 -2.022 4.397 -9.375 1.00 0.00 C ATOM 0 H LEU A 373 -2.307 6.046 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 373 0.326 5.261 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.372 3.832 -11.879 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.850 3.073 -12.304 1.00 0.00 H new ATOM 0 HG LEU A 373 -1.047 2.580 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.623 4.000 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.143 3.624 -10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.468 5.226 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.807 4.238 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -1.970 5.462 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -3.022 4.027 -9.602 1.00 0.00 H new ATOM 353 N VAL A 374 -2.195 5.736 -14.024 1.00 0.00 N ATOM 354 CA VAL A 374 -2.498 5.949 -15.466 1.00 0.00 C ATOM 355 C VAL A 374 -1.990 7.331 -15.874 1.00 0.00 C ATOM 356 O VAL A 374 -1.747 7.604 -17.033 1.00 0.00 O ATOM 357 CB VAL A 374 -4.010 5.874 -15.689 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.354 6.465 -17.058 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.459 4.413 -15.639 1.00 0.00 C ATOM 0 H VAL A 374 -2.986 5.859 -13.392 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.010 5.180 -16.066 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.521 6.440 -14.910 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.431 6.412 -17.217 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.033 7.506 -17.096 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -3.844 5.899 -17.837 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.536 4.358 -15.798 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -3.948 3.848 -16.419 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.214 3.990 -14.665 1.00 0.00 H new ATOM 369 N GLU A 375 -1.825 8.204 -14.919 1.00 0.00 N ATOM 370 CA GLU A 375 -1.332 9.573 -15.223 1.00 0.00 C ATOM 371 C GLU A 375 0.143 9.497 -15.619 1.00 0.00 C ATOM 372 O GLU A 375 0.593 10.173 -16.522 1.00 0.00 O ATOM 373 CB GLU A 375 -1.484 10.444 -13.974 1.00 0.00 C ATOM 374 CG GLU A 375 -2.939 10.899 -13.843 1.00 0.00 C ATOM 375 CD GLU A 375 -3.279 11.857 -14.986 1.00 0.00 C ATOM 376 OE1 GLU A 375 -2.356 12.376 -15.591 1.00 0.00 O ATOM 377 OE2 GLU A 375 -4.456 12.055 -15.237 1.00 0.00 O ATOM 0 H GLU A 375 -2.013 8.024 -13.933 1.00 0.00 H new ATOM 0 HA GLU A 375 -1.906 10.005 -16.043 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.186 9.883 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -0.825 11.310 -14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -3.605 10.036 -13.867 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.092 11.392 -12.883 1.00 0.00 H new ATOM 384 N GLU A 376 0.895 8.673 -14.945 1.00 0.00 N ATOM 385 CA GLU A 376 2.341 8.542 -15.273 1.00 0.00 C ATOM 386 C GLU A 376 2.497 7.886 -16.647 1.00 0.00 C ATOM 387 O GLU A 376 3.452 8.131 -17.357 1.00 0.00 O ATOM 388 CB GLU A 376 3.023 7.676 -14.212 1.00 0.00 C ATOM 389 CG GLU A 376 4.520 7.585 -14.512 1.00 0.00 C ATOM 390 CD GLU A 376 5.186 8.926 -14.197 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.611 9.686 -13.434 1.00 0.00 O ATOM 392 OE2 GLU A 376 6.257 9.172 -14.726 1.00 0.00 O ATOM 0 H GLU A 376 0.569 8.083 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 376 2.802 9.529 -15.291 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.865 8.104 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.582 6.679 -14.203 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.974 6.793 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.677 7.326 -15.559 1.00 0.00 H new ATOM 399 N GLY A 377 1.567 7.052 -17.028 1.00 0.00 N ATOM 400 CA GLY A 377 1.667 6.384 -18.357 1.00 0.00 C ATOM 401 C GLY A 377 1.500 4.871 -18.190 1.00 0.00 C ATOM 402 O GLY A 377 1.958 4.094 -19.003 1.00 0.00 O ATOM 0 H GLY A 377 0.744 6.805 -16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.901 6.772 -19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.632 6.605 -18.814 1.00 0.00 H new ATOM 406 N PHE A 378 0.846 4.448 -17.143 1.00 0.00 N ATOM 407 CA PHE A 378 0.648 2.988 -16.926 1.00 0.00 C ATOM 408 C PHE A 378 -0.843 2.709 -16.730 1.00 0.00 C ATOM 409 O PHE A 378 -1.316 2.578 -15.620 1.00 0.00 O ATOM 410 CB PHE A 378 1.417 2.548 -15.677 1.00 0.00 C ATOM 411 CG PHE A 378 2.901 2.664 -15.931 1.00 0.00 C ATOM 412 CD1 PHE A 378 3.603 1.584 -16.482 1.00 0.00 C ATOM 413 CD2 PHE A 378 3.575 3.849 -15.616 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.979 1.692 -16.717 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.951 3.957 -15.852 1.00 0.00 C ATOM 416 CZ PHE A 378 5.653 2.878 -16.402 1.00 0.00 C ATOM 0 H PHE A 378 0.440 5.052 -16.428 1.00 0.00 H new ATOM 0 HA PHE A 378 1.016 2.435 -17.790 1.00 0.00 H new ATOM 0 HB2 PHE A 378 1.134 3.167 -14.826 1.00 0.00 H new ATOM 0 HB3 PHE A 378 1.160 1.520 -15.423 1.00 0.00 H new ATOM 0 HD1 PHE A 378 3.083 0.669 -16.725 1.00 0.00 H new ATOM 0 HD2 PHE A 378 3.034 4.681 -15.191 1.00 0.00 H new ATOM 0 HE1 PHE A 378 5.521 0.860 -17.142 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.470 4.872 -15.610 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.714 2.960 -16.583 1.00 0.00 H new ATOM 426 N SER A 379 -1.588 2.626 -17.798 1.00 0.00 N ATOM 427 CA SER A 379 -3.050 2.366 -17.664 1.00 0.00 C ATOM 428 C SER A 379 -3.339 0.880 -17.882 1.00 0.00 C ATOM 429 O SER A 379 -4.479 0.464 -17.940 1.00 0.00 O ATOM 430 CB SER A 379 -3.809 3.190 -18.704 1.00 0.00 C ATOM 431 OG SER A 379 -3.546 2.674 -20.000 1.00 0.00 O ATOM 0 H SER A 379 -1.249 2.727 -18.755 1.00 0.00 H new ATOM 0 HA SER A 379 -3.374 2.649 -16.662 1.00 0.00 H new ATOM 0 HB2 SER A 379 -4.879 3.158 -18.498 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.505 4.235 -18.648 1.00 0.00 H new ATOM 0 HG SER A 379 -4.034 3.201 -20.667 1.00 0.00 H new ATOM 437 N THR A 380 -2.320 0.076 -18.001 1.00 0.00 N ATOM 438 CA THR A 380 -2.547 -1.379 -18.210 1.00 0.00 C ATOM 439 C THR A 380 -1.817 -2.163 -17.123 1.00 0.00 C ATOM 440 O THR A 380 -0.741 -1.794 -16.696 1.00 0.00 O ATOM 441 CB THR A 380 -2.009 -1.790 -19.583 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.598 -0.974 -20.586 1.00 0.00 O ATOM 443 CG2 THR A 380 -2.349 -3.258 -19.848 1.00 0.00 C ATOM 0 H THR A 380 -1.342 0.363 -17.963 1.00 0.00 H new ATOM 0 HA THR A 380 -3.615 -1.592 -18.162 1.00 0.00 H new ATOM 0 HB THR A 380 -0.927 -1.662 -19.602 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.253 -1.236 -21.465 1.00 0.00 H new ATOM 0 HG21 THR A 380 -1.966 -3.550 -20.826 1.00 0.00 H new ATOM 0 HG22 THR A 380 -1.893 -3.882 -19.079 1.00 0.00 H new ATOM 0 HG23 THR A 380 -3.431 -3.390 -19.828 1.00 0.00 H new ATOM 451 N LEU A 381 -2.383 -3.248 -16.677 1.00 0.00 N ATOM 452 CA LEU A 381 -1.705 -4.054 -15.628 1.00 0.00 C ATOM 453 C LEU A 381 -0.361 -4.537 -16.173 1.00 0.00 C ATOM 454 O LEU A 381 0.591 -4.714 -15.442 1.00 0.00 O ATOM 455 CB LEU A 381 -2.577 -5.257 -15.263 1.00 0.00 C ATOM 456 CG LEU A 381 -3.826 -4.775 -14.522 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.864 -4.288 -15.536 1.00 0.00 C ATOM 458 CD2 LEU A 381 -4.414 -5.929 -13.706 1.00 0.00 C ATOM 0 H LEU A 381 -3.283 -3.610 -16.993 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.546 -3.448 -14.736 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.862 -5.800 -16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.015 -5.951 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 381 -3.558 -3.957 -13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.754 -3.944 -15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.447 -3.466 -16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -5.131 -5.106 -16.205 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -5.304 -5.585 -13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -4.682 -6.748 -14.374 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -3.676 -6.277 -12.984 1.00 0.00 H new ATOM 470 N GLU A 382 -0.278 -4.749 -17.460 1.00 0.00 N ATOM 471 CA GLU A 382 1.001 -5.218 -18.060 1.00 0.00 C ATOM 472 C GLU A 382 2.098 -4.188 -17.789 1.00 0.00 C ATOM 473 O GLU A 382 3.049 -4.455 -17.091 1.00 0.00 O ATOM 474 CB GLU A 382 0.827 -5.390 -19.569 1.00 0.00 C ATOM 475 CG GLU A 382 2.009 -6.182 -20.131 1.00 0.00 C ATOM 476 CD GLU A 382 1.878 -6.281 -21.652 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.854 -5.862 -22.168 1.00 0.00 O ATOM 478 OE2 GLU A 382 2.804 -6.773 -22.275 1.00 0.00 O ATOM 0 H GLU A 382 -1.043 -4.617 -18.121 1.00 0.00 H new ATOM 0 HA GLU A 382 1.280 -6.174 -17.616 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -0.107 -5.910 -19.781 1.00 0.00 H new ATOM 0 HB3 GLU A 382 0.766 -4.415 -20.052 1.00 0.00 H new ATOM 0 HG2 GLU A 382 2.947 -5.693 -19.867 1.00 0.00 H new ATOM 0 HG3 GLU A 382 2.034 -7.179 -19.692 1.00 0.00 H new ATOM 485 N GLU A 383 1.974 -3.006 -18.322 1.00 0.00 N ATOM 486 CA GLU A 383 3.019 -1.979 -18.066 1.00 0.00 C ATOM 487 C GLU A 383 3.145 -1.794 -16.556 1.00 0.00 C ATOM 488 O GLU A 383 4.226 -1.799 -16.001 1.00 0.00 O ATOM 489 CB GLU A 383 2.612 -0.654 -18.715 1.00 0.00 C ATOM 490 CG GLU A 383 2.441 -0.851 -20.223 1.00 0.00 C ATOM 491 CD GLU A 383 2.038 0.477 -20.868 1.00 0.00 C ATOM 492 OE1 GLU A 383 1.706 1.392 -20.134 1.00 0.00 O ATOM 493 OE2 GLU A 383 2.070 0.554 -22.084 1.00 0.00 O ATOM 0 H GLU A 383 1.202 -2.708 -18.918 1.00 0.00 H new ATOM 0 HA GLU A 383 3.972 -2.298 -18.489 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.681 -0.294 -18.277 1.00 0.00 H new ATOM 0 HB3 GLU A 383 3.370 0.105 -18.521 1.00 0.00 H new ATOM 0 HG2 GLU A 383 3.371 -1.213 -20.661 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.681 -1.608 -20.418 1.00 0.00 H new ATOM 500 N LEU A 384 2.037 -1.630 -15.893 1.00 0.00 N ATOM 501 CA LEU A 384 2.055 -1.440 -14.417 1.00 0.00 C ATOM 502 C LEU A 384 2.724 -2.641 -13.748 1.00 0.00 C ATOM 503 O LEU A 384 3.472 -2.504 -12.801 1.00 0.00 O ATOM 504 CB LEU A 384 0.612 -1.333 -13.922 1.00 0.00 C ATOM 505 CG LEU A 384 0.557 -0.463 -12.665 1.00 0.00 C ATOM 506 CD1 LEU A 384 0.605 1.012 -13.062 1.00 0.00 C ATOM 507 CD2 LEU A 384 -0.745 -0.748 -11.912 1.00 0.00 C ATOM 0 H LEU A 384 1.109 -1.619 -16.315 1.00 0.00 H new ATOM 0 HA LEU A 384 2.611 -0.536 -14.170 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -0.018 -0.903 -14.701 1.00 0.00 H new ATOM 0 HB3 LEU A 384 0.218 -2.326 -13.705 1.00 0.00 H new ATOM 0 HG LEU A 384 1.408 -0.692 -12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.566 1.631 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 384 1.530 1.213 -13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.247 1.245 -13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -0.789 -0.130 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -1.595 -0.517 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -0.779 -1.800 -11.630 1.00 0.00 H new ATOM 519 N ALA A 385 2.445 -3.818 -14.227 1.00 0.00 N ATOM 520 CA ALA A 385 3.047 -5.038 -13.616 1.00 0.00 C ATOM 521 C ALA A 385 4.444 -5.279 -14.193 1.00 0.00 C ATOM 522 O ALA A 385 5.327 -5.773 -13.518 1.00 0.00 O ATOM 523 CB ALA A 385 2.158 -6.246 -13.916 1.00 0.00 C ATOM 0 H ALA A 385 1.824 -3.991 -15.018 1.00 0.00 H new ATOM 0 HA ALA A 385 3.126 -4.896 -12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.596 -7.139 -13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.166 -6.080 -13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.078 -6.380 -14.995 1.00 0.00 H new ATOM 529 N TYR A 386 4.652 -4.941 -15.433 1.00 0.00 N ATOM 530 CA TYR A 386 5.989 -5.156 -16.051 1.00 0.00 C ATOM 531 C TYR A 386 6.940 -4.053 -15.581 1.00 0.00 C ATOM 532 O TYR A 386 8.121 -4.271 -15.402 1.00 0.00 O ATOM 533 CB TYR A 386 5.859 -5.111 -17.575 1.00 0.00 C ATOM 534 CG TYR A 386 5.163 -6.362 -18.067 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.978 -6.797 -17.456 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.698 -7.082 -19.143 1.00 0.00 C ATOM 537 CE1 TYR A 386 3.332 -7.947 -17.919 1.00 0.00 C ATOM 538 CE2 TYR A 386 5.051 -8.235 -19.604 1.00 0.00 C ATOM 539 CZ TYR A 386 3.868 -8.668 -18.993 1.00 0.00 C ATOM 540 OH TYR A 386 3.229 -9.803 -19.450 1.00 0.00 O ATOM 0 H TYR A 386 3.952 -4.524 -16.047 1.00 0.00 H new ATOM 0 HA TYR A 386 6.382 -6.128 -15.754 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.295 -4.228 -17.875 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.846 -5.029 -18.031 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.564 -6.243 -16.627 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.609 -6.748 -19.617 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.419 -8.280 -17.448 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.465 -8.791 -20.432 1.00 0.00 H new ATOM 0 HH TYR A 386 3.732 -10.182 -20.201 1.00 0.00 H new ATOM 550 N VAL A 387 6.428 -2.871 -15.368 1.00 0.00 N ATOM 551 CA VAL A 387 7.297 -1.758 -14.896 1.00 0.00 C ATOM 552 C VAL A 387 7.846 -2.115 -13.514 1.00 0.00 C ATOM 553 O VAL A 387 7.128 -2.601 -12.662 1.00 0.00 O ATOM 554 CB VAL A 387 6.473 -0.472 -14.809 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.492 -0.571 -13.640 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.405 0.721 -14.595 1.00 0.00 C ATOM 0 H VAL A 387 5.446 -2.629 -15.501 1.00 0.00 H new ATOM 0 HA VAL A 387 8.122 -1.606 -15.592 1.00 0.00 H new ATOM 0 HB VAL A 387 5.918 -0.335 -15.737 1.00 0.00 H new ATOM 0 HG11 VAL A 387 4.905 0.346 -13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 387 4.825 -1.419 -13.796 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.045 -0.710 -12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 387 6.816 1.636 -14.533 1.00 0.00 H new ATOM 0 HG22 VAL A 387 7.963 0.585 -13.668 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.101 0.793 -15.430 1.00 0.00 H new ATOM 566 N PRO A 388 9.148 -1.884 -13.290 1.00 0.00 N ATOM 567 CA PRO A 388 9.794 -2.200 -12.014 1.00 0.00 C ATOM 568 C PRO A 388 9.377 -1.251 -10.891 1.00 0.00 C ATOM 569 O PRO A 388 8.843 -0.184 -11.116 1.00 0.00 O ATOM 570 CB PRO A 388 11.277 -2.023 -12.302 1.00 0.00 C ATOM 571 CG PRO A 388 11.327 -1.061 -13.436 1.00 0.00 C ATOM 572 CD PRO A 388 10.090 -1.301 -14.260 1.00 0.00 C ATOM 0 HA PRO A 388 9.520 -3.198 -11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 388 11.807 -1.637 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 388 11.746 -2.971 -12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.356 -0.034 -13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.226 -1.213 -14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.706 -0.375 -14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.285 -1.980 -15.090 1.00 0.00 H new ATOM 580 N MET A 389 9.616 -1.660 -9.682 1.00 0.00 N ATOM 581 CA MET A 389 9.242 -0.822 -8.506 1.00 0.00 C ATOM 582 C MET A 389 9.900 0.557 -8.610 1.00 0.00 C ATOM 583 O MET A 389 9.233 1.567 -8.706 1.00 0.00 O ATOM 584 CB MET A 389 9.705 -1.512 -7.223 1.00 0.00 C ATOM 585 CG MET A 389 9.210 -0.722 -6.010 1.00 0.00 C ATOM 586 SD MET A 389 10.607 -0.354 -4.921 1.00 0.00 S ATOM 587 CE MET A 389 10.769 1.396 -5.348 1.00 0.00 C ATOM 0 H MET A 389 10.060 -2.549 -9.451 1.00 0.00 H new ATOM 0 HA MET A 389 8.159 -0.698 -8.487 1.00 0.00 H new ATOM 0 HB2 MET A 389 9.321 -2.532 -7.187 1.00 0.00 H new ATOM 0 HB3 MET A 389 10.793 -1.580 -7.207 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.734 0.203 -6.334 1.00 0.00 H new ATOM 0 HG3 MET A 389 8.456 -1.296 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 389 11.824 1.649 -5.453 1.00 0.00 H new ATOM 0 HE2 MET A 389 10.254 1.590 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.327 2.005 -4.560 1.00 0.00 H new ATOM 597 N LYS A 390 11.204 0.611 -8.576 1.00 0.00 N ATOM 598 CA LYS A 390 11.900 1.929 -8.656 1.00 0.00 C ATOM 599 C LYS A 390 11.242 2.810 -9.721 1.00 0.00 C ATOM 600 O LYS A 390 10.877 3.940 -9.463 1.00 0.00 O ATOM 601 CB LYS A 390 13.368 1.713 -9.021 1.00 0.00 C ATOM 602 CG LYS A 390 14.079 0.986 -7.878 1.00 0.00 C ATOM 603 CD LYS A 390 15.579 0.925 -8.173 1.00 0.00 C ATOM 604 CE LYS A 390 16.279 0.092 -7.097 1.00 0.00 C ATOM 605 NZ LYS A 390 16.860 -1.130 -7.719 1.00 0.00 N ATOM 0 H LYS A 390 11.818 -0.200 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 390 11.829 2.423 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.443 1.130 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 390 13.851 2.671 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 390 13.903 1.505 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.677 -0.021 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 390 15.749 0.485 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 390 15.997 1.932 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 390 17.064 0.679 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 390 15.570 -0.185 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 17.336 -1.698 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 16.101 -1.692 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 17.549 -0.855 -8.448 1.00 0.00 H new ATOM 619 N GLU A 391 11.089 2.309 -10.917 1.00 0.00 N ATOM 620 CA GLU A 391 10.460 3.130 -11.987 1.00 0.00 C ATOM 621 C GLU A 391 9.142 3.697 -11.467 1.00 0.00 C ATOM 622 O GLU A 391 8.780 4.822 -11.747 1.00 0.00 O ATOM 623 CB GLU A 391 10.199 2.258 -13.215 1.00 0.00 C ATOM 624 CG GLU A 391 11.484 2.146 -14.042 1.00 0.00 C ATOM 625 CD GLU A 391 11.178 1.449 -15.368 1.00 0.00 C ATOM 626 OE1 GLU A 391 10.019 1.422 -15.746 1.00 0.00 O ATOM 627 OE2 GLU A 391 12.107 0.955 -15.984 1.00 0.00 O ATOM 0 H GLU A 391 11.372 1.370 -11.197 1.00 0.00 H new ATOM 0 HA GLU A 391 11.126 3.947 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 391 9.864 1.267 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.401 2.690 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 391 11.898 3.137 -14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 391 12.237 1.585 -13.489 1.00 0.00 H new ATOM 634 N LEU A 392 8.424 2.923 -10.706 1.00 0.00 N ATOM 635 CA LEU A 392 7.127 3.412 -10.161 1.00 0.00 C ATOM 636 C LEU A 392 7.386 4.267 -8.918 1.00 0.00 C ATOM 637 O LEU A 392 6.817 5.327 -8.751 1.00 0.00 O ATOM 638 CB LEU A 392 6.249 2.217 -9.790 1.00 0.00 C ATOM 639 CG LEU A 392 5.846 1.473 -11.066 1.00 0.00 C ATOM 640 CD1 LEU A 392 4.830 0.383 -10.723 1.00 0.00 C ATOM 641 CD2 LEU A 392 5.224 2.459 -12.056 1.00 0.00 C ATOM 0 H LEU A 392 8.678 1.972 -10.437 1.00 0.00 H new ATOM 0 HA LEU A 392 6.618 4.015 -10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.789 1.548 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.361 2.555 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 392 6.729 1.017 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 392 4.543 -0.146 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.274 -0.320 -10.018 1.00 0.00 H new ATOM 0 HD13 LEU A 392 3.947 0.837 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 392 4.937 1.930 -12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.342 2.916 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 392 5.950 3.234 -12.302 1.00 0.00 H new ATOM 653 N LEU A 393 8.241 3.813 -8.043 1.00 0.00 N ATOM 654 CA LEU A 393 8.537 4.600 -6.811 1.00 0.00 C ATOM 655 C LEU A 393 9.230 5.909 -7.190 1.00 0.00 C ATOM 656 O LEU A 393 9.088 6.914 -6.521 1.00 0.00 O ATOM 657 CB LEU A 393 9.453 3.787 -5.897 1.00 0.00 C ATOM 658 CG LEU A 393 9.688 4.555 -4.596 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.057 3.793 -3.431 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.192 4.701 -4.355 1.00 0.00 C ATOM 0 H LEU A 393 8.747 2.932 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 393 7.605 4.822 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.003 2.817 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.403 3.595 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 393 9.234 5.543 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.225 4.341 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 393 7.986 3.689 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.510 2.804 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.360 5.248 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 393 11.646 3.713 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.642 5.246 -5.185 1.00 0.00 H new ATOM 672 N GLU A 394 9.980 5.909 -8.257 1.00 0.00 N ATOM 673 CA GLU A 394 10.681 7.156 -8.676 1.00 0.00 C ATOM 674 C GLU A 394 9.687 8.096 -9.352 1.00 0.00 C ATOM 675 O GLU A 394 9.908 9.287 -9.441 1.00 0.00 O ATOM 676 CB GLU A 394 11.801 6.810 -9.658 1.00 0.00 C ATOM 677 CG GLU A 394 12.864 5.975 -8.945 1.00 0.00 C ATOM 678 CD GLU A 394 14.048 5.748 -9.887 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.915 6.059 -11.059 1.00 0.00 O ATOM 680 OE2 GLU A 394 15.067 5.264 -9.422 1.00 0.00 O ATOM 0 H GLU A 394 10.138 5.100 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 394 11.106 7.644 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.397 6.257 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 394 12.246 7.722 -10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 394 13.197 6.485 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.443 5.019 -8.635 1.00 0.00 H new ATOM 687 N ILE A 395 8.601 7.563 -9.839 1.00 0.00 N ATOM 688 CA ILE A 395 7.581 8.411 -10.522 1.00 0.00 C ATOM 689 C ILE A 395 7.540 9.803 -9.893 1.00 0.00 C ATOM 690 O ILE A 395 7.340 10.792 -10.569 1.00 0.00 O ATOM 691 CB ILE A 395 6.210 7.752 -10.388 1.00 0.00 C ATOM 692 CG1 ILE A 395 6.193 6.454 -11.194 1.00 0.00 C ATOM 693 CG2 ILE A 395 5.133 8.699 -10.920 1.00 0.00 C ATOM 694 CD1 ILE A 395 4.824 5.785 -11.064 1.00 0.00 C ATOM 0 H ILE A 395 8.374 6.570 -9.793 1.00 0.00 H new ATOM 0 HA ILE A 395 7.846 8.509 -11.575 1.00 0.00 H new ATOM 0 HB ILE A 395 6.011 7.533 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 395 6.409 6.662 -12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.973 5.782 -10.836 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.155 8.228 -10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 395 5.147 9.626 -10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 395 5.328 8.919 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 395 4.815 4.860 -11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.626 5.562 -10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 395 4.054 6.456 -11.444 1.00 0.00 H new ATOM 706 N GLU A 396 7.728 9.892 -8.608 1.00 0.00 N ATOM 707 CA GLU A 396 7.698 11.228 -7.948 1.00 0.00 C ATOM 708 C GLU A 396 8.029 11.077 -6.463 1.00 0.00 C ATOM 709 O GLU A 396 9.155 11.259 -6.047 1.00 0.00 O ATOM 710 CB GLU A 396 6.307 11.848 -8.103 1.00 0.00 C ATOM 711 CG GLU A 396 6.294 13.229 -7.445 1.00 0.00 C ATOM 712 CD GLU A 396 4.880 13.812 -7.505 1.00 0.00 C ATOM 713 OE1 GLU A 396 3.990 13.111 -7.958 1.00 0.00 O ATOM 714 OE2 GLU A 396 4.713 14.950 -7.099 1.00 0.00 O ATOM 0 H GLU A 396 7.901 9.102 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 396 8.437 11.877 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 396 6.049 11.933 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 396 5.556 11.206 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 396 6.623 13.153 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.994 13.892 -7.954 1.00 0.00 H new ATOM 721 N GLY A 397 7.056 10.750 -5.658 1.00 0.00 N ATOM 722 CA GLY A 397 7.318 10.595 -4.200 1.00 0.00 C ATOM 723 C GLY A 397 6.479 9.445 -3.644 1.00 0.00 C ATOM 724 O GLY A 397 5.919 9.534 -2.568 1.00 0.00 O ATOM 0 H GLY A 397 6.092 10.584 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 397 8.377 10.400 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 397 7.076 11.520 -3.677 1.00 0.00 H new ATOM 728 N LEU A 398 6.391 8.364 -4.364 1.00 0.00 N ATOM 729 CA LEU A 398 5.589 7.206 -3.874 1.00 0.00 C ATOM 730 C LEU A 398 6.402 6.437 -2.829 1.00 0.00 C ATOM 731 O LEU A 398 7.616 6.498 -2.807 1.00 0.00 O ATOM 732 CB LEU A 398 5.250 6.287 -5.048 1.00 0.00 C ATOM 733 CG LEU A 398 4.455 7.074 -6.093 1.00 0.00 C ATOM 734 CD1 LEU A 398 4.101 6.156 -7.265 1.00 0.00 C ATOM 735 CD2 LEU A 398 3.171 7.610 -5.458 1.00 0.00 C ATOM 0 H LEU A 398 6.839 8.230 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 398 4.664 7.563 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 398 6.164 5.892 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.669 5.433 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 398 5.057 7.907 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.535 6.717 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 398 5.016 5.774 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.499 5.322 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.604 8.171 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.569 6.777 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 398 3.423 8.265 -4.624 1.00 0.00 H new ATOM 747 N ASP A 399 5.745 5.721 -1.957 1.00 0.00 N ATOM 748 CA ASP A 399 6.486 4.960 -0.909 1.00 0.00 C ATOM 749 C ASP A 399 6.918 3.597 -1.454 1.00 0.00 C ATOM 750 O ASP A 399 6.374 3.096 -2.418 1.00 0.00 O ATOM 751 CB ASP A 399 5.585 4.757 0.310 1.00 0.00 C ATOM 752 CG ASP A 399 4.870 6.068 0.640 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.370 7.108 0.244 1.00 0.00 O ATOM 754 OD2 ASP A 399 3.836 6.010 1.285 1.00 0.00 O ATOM 0 H ASP A 399 4.730 5.630 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 399 7.372 5.526 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 399 4.855 3.973 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.178 4.429 1.164 1.00 0.00 H new ATOM 759 N GLU A 400 7.903 3.001 -0.841 1.00 0.00 N ATOM 760 CA GLU A 400 8.397 1.674 -1.309 1.00 0.00 C ATOM 761 C GLU A 400 7.292 0.618 -1.187 1.00 0.00 C ATOM 762 O GLU A 400 7.039 -0.127 -2.112 1.00 0.00 O ATOM 763 CB GLU A 400 9.594 1.252 -0.457 1.00 0.00 C ATOM 764 CG GLU A 400 10.519 0.358 -1.284 1.00 0.00 C ATOM 765 CD GLU A 400 11.907 0.996 -1.365 1.00 0.00 C ATOM 766 OE1 GLU A 400 11.985 2.149 -1.755 1.00 0.00 O ATOM 767 OE2 GLU A 400 12.868 0.320 -1.036 1.00 0.00 O ATOM 0 H GLU A 400 8.391 3.379 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 400 8.693 1.756 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.136 2.132 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.252 0.718 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 400 10.588 -0.631 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.111 0.222 -2.285 1.00 0.00 H new ATOM 774 N PRO A 401 6.631 0.540 -0.020 1.00 0.00 N ATOM 775 CA PRO A 401 5.566 -0.444 0.215 1.00 0.00 C ATOM 776 C PRO A 401 4.319 -0.158 -0.627 1.00 0.00 C ATOM 777 O PRO A 401 3.698 -1.059 -1.156 1.00 0.00 O ATOM 778 CB PRO A 401 5.250 -0.281 1.702 1.00 0.00 C ATOM 779 CG PRO A 401 5.670 1.112 2.025 1.00 0.00 C ATOM 780 CD PRO A 401 6.863 1.399 1.156 1.00 0.00 C ATOM 0 HA PRO A 401 5.876 -1.452 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.189 -0.431 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.793 -1.009 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 401 4.864 1.818 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 401 5.924 1.208 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 401 6.918 2.452 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 401 7.798 1.151 1.659 1.00 0.00 H new ATOM 788 N THR A 402 3.948 1.084 -0.758 1.00 0.00 N ATOM 789 CA THR A 402 2.743 1.415 -1.568 1.00 0.00 C ATOM 790 C THR A 402 2.972 0.985 -3.018 1.00 0.00 C ATOM 791 O THR A 402 2.107 0.418 -3.654 1.00 0.00 O ATOM 792 CB THR A 402 2.493 2.925 -1.518 1.00 0.00 C ATOM 793 OG1 THR A 402 2.406 3.344 -0.164 1.00 0.00 O ATOM 794 CG2 THR A 402 1.187 3.252 -2.242 1.00 0.00 C ATOM 0 H THR A 402 4.425 1.883 -0.341 1.00 0.00 H new ATOM 0 HA THR A 402 1.877 0.890 -1.164 1.00 0.00 H new ATOM 0 HB THR A 402 3.316 3.447 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.248 4.311 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.010 4.327 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.257 2.931 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.362 2.732 -1.756 1.00 0.00 H new ATOM 802 N VAL A 403 4.135 1.255 -3.546 1.00 0.00 N ATOM 803 CA VAL A 403 4.426 0.867 -4.956 1.00 0.00 C ATOM 804 C VAL A 403 4.670 -0.638 -5.030 1.00 0.00 C ATOM 805 O VAL A 403 4.372 -1.279 -6.018 1.00 0.00 O ATOM 806 CB VAL A 403 5.677 1.604 -5.439 1.00 0.00 C ATOM 807 CG1 VAL A 403 5.729 1.572 -6.968 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.635 3.054 -4.959 1.00 0.00 C ATOM 0 H VAL A 403 4.897 1.728 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 403 3.577 1.132 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 403 6.564 1.116 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 403 6.620 2.097 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 403 5.762 0.537 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 403 4.842 2.059 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.527 3.577 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 403 4.748 3.545 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.600 3.076 -3.870 1.00 0.00 H new ATOM 818 N GLU A 404 5.213 -1.206 -3.992 1.00 0.00 N ATOM 819 CA GLU A 404 5.481 -2.672 -3.999 1.00 0.00 C ATOM 820 C GLU A 404 4.159 -3.439 -4.074 1.00 0.00 C ATOM 821 O GLU A 404 4.025 -4.392 -4.816 1.00 0.00 O ATOM 822 CB GLU A 404 6.224 -3.059 -2.719 1.00 0.00 C ATOM 823 CG GLU A 404 6.574 -4.548 -2.764 1.00 0.00 C ATOM 824 CD GLU A 404 7.641 -4.790 -3.833 1.00 0.00 C ATOM 825 OE1 GLU A 404 8.369 -3.859 -4.136 1.00 0.00 O ATOM 826 OE2 GLU A 404 7.713 -5.901 -4.330 1.00 0.00 O ATOM 0 H GLU A 404 5.484 -0.719 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 404 6.092 -2.923 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.132 -2.464 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 404 5.605 -2.846 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 404 6.938 -4.876 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 404 5.683 -5.135 -2.985 1.00 0.00 H new ATOM 833 N ALA A 405 3.182 -3.038 -3.307 1.00 0.00 N ATOM 834 CA ALA A 405 1.872 -3.751 -3.333 1.00 0.00 C ATOM 835 C ALA A 405 1.114 -3.387 -4.609 1.00 0.00 C ATOM 836 O ALA A 405 0.355 -4.175 -5.139 1.00 0.00 O ATOM 837 CB ALA A 405 1.044 -3.340 -2.114 1.00 0.00 C ATOM 0 H ALA A 405 3.234 -2.248 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 405 2.046 -4.827 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.087 -3.861 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 405 1.582 -3.602 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 405 0.872 -2.264 -2.137 1.00 0.00 H new ATOM 843 N LEU A 406 1.308 -2.197 -5.107 1.00 0.00 N ATOM 844 CA LEU A 406 0.595 -1.783 -6.348 1.00 0.00 C ATOM 845 C LEU A 406 1.054 -2.655 -7.519 1.00 0.00 C ATOM 846 O LEU A 406 0.265 -3.063 -8.346 1.00 0.00 O ATOM 847 CB LEU A 406 0.909 -0.317 -6.648 1.00 0.00 C ATOM 848 CG LEU A 406 0.111 0.134 -7.873 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.288 0.573 -7.437 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.829 1.306 -8.545 1.00 0.00 C ATOM 0 H LEU A 406 1.929 -1.493 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.479 -1.904 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.657 0.303 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 406 1.976 -0.192 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 406 0.028 -0.693 -8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.857 0.894 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.799 -0.262 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.207 1.400 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.261 1.628 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.912 2.134 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.826 0.992 -8.856 1.00 0.00 H new ATOM 862 N ARG A 407 2.324 -2.943 -7.595 1.00 0.00 N ATOM 863 CA ARG A 407 2.831 -3.789 -8.712 1.00 0.00 C ATOM 864 C ARG A 407 2.353 -5.229 -8.519 1.00 0.00 C ATOM 865 O ARG A 407 1.746 -5.814 -9.393 1.00 0.00 O ATOM 866 CB ARG A 407 4.358 -3.759 -8.718 1.00 0.00 C ATOM 867 CG ARG A 407 4.840 -2.339 -9.013 1.00 0.00 C ATOM 868 CD ARG A 407 6.362 -2.340 -9.170 1.00 0.00 C ATOM 869 NE ARG A 407 6.993 -2.787 -7.896 1.00 0.00 N ATOM 870 CZ ARG A 407 7.591 -3.946 -7.837 1.00 0.00 C ATOM 871 NH1 ARG A 407 8.357 -4.337 -8.819 1.00 0.00 N ATOM 872 NH2 ARG A 407 7.423 -4.713 -6.795 1.00 0.00 N ATOM 0 H ARG A 407 3.033 -2.629 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 407 2.454 -3.404 -9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.742 -4.092 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 407 4.743 -4.448 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.370 -1.965 -9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.547 -1.669 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 407 6.654 -3.003 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.712 -1.341 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 407 6.958 -2.188 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 407 8.489 -3.737 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 407 8.824 -5.243 -8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 407 6.825 -4.407 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 407 7.890 -5.619 -6.748 1.00 0.00 H new ATOM 886 N GLU A 408 2.625 -5.802 -7.379 1.00 0.00 N ATOM 887 CA GLU A 408 2.189 -7.204 -7.127 1.00 0.00 C ATOM 888 C GLU A 408 0.758 -7.390 -7.633 1.00 0.00 C ATOM 889 O GLU A 408 0.447 -8.354 -8.304 1.00 0.00 O ATOM 890 CB GLU A 408 2.239 -7.492 -5.626 1.00 0.00 C ATOM 891 CG GLU A 408 1.963 -8.978 -5.384 1.00 0.00 C ATOM 892 CD GLU A 408 1.994 -9.265 -3.882 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.208 -8.332 -3.124 1.00 0.00 O ATOM 894 OE2 GLU A 408 1.803 -10.412 -3.514 1.00 0.00 O ATOM 0 H GLU A 408 3.130 -5.360 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 408 2.853 -7.891 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.216 -7.222 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.501 -6.884 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 408 0.992 -9.250 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 408 2.709 -9.585 -5.897 1.00 0.00 H new ATOM 901 N ARG A 409 -0.114 -6.474 -7.317 1.00 0.00 N ATOM 902 CA ARG A 409 -1.525 -6.596 -7.782 1.00 0.00 C ATOM 903 C ARG A 409 -1.576 -6.451 -9.303 1.00 0.00 C ATOM 904 O ARG A 409 -2.300 -7.154 -9.979 1.00 0.00 O ATOM 905 CB ARG A 409 -2.370 -5.496 -7.138 1.00 0.00 C ATOM 906 CG ARG A 409 -2.371 -5.676 -5.618 1.00 0.00 C ATOM 907 CD ARG A 409 -3.299 -4.638 -4.984 1.00 0.00 C ATOM 908 NE ARG A 409 -3.126 -4.658 -3.505 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.416 -5.735 -2.829 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.300 -6.577 -3.292 1.00 0.00 N ATOM 911 NH2 ARG A 409 -2.823 -5.972 -1.691 1.00 0.00 N ATOM 0 H ARG A 409 0.089 -5.646 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.918 -7.572 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.970 -4.516 -7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.390 -5.536 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.702 -6.682 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.360 -5.563 -5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -3.073 -3.646 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.335 -4.854 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.781 -3.829 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -4.763 -6.392 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -4.527 -7.420 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -2.132 -5.315 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -3.051 -6.815 -1.163 1.00 0.00 H new ATOM 925 N ALA A 410 -0.815 -5.542 -9.845 1.00 0.00 N ATOM 926 CA ALA A 410 -0.821 -5.350 -11.323 1.00 0.00 C ATOM 927 C ALA A 410 -0.477 -6.672 -12.013 1.00 0.00 C ATOM 928 O ALA A 410 -1.163 -7.109 -12.915 1.00 0.00 O ATOM 929 CB ALA A 410 0.214 -4.290 -11.702 1.00 0.00 C ATOM 0 H ALA A 410 -0.189 -4.924 -9.329 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.810 -5.023 -11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.211 -4.148 -12.783 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -0.033 -3.348 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.203 -4.617 -11.382 1.00 0.00 H new ATOM 935 N LYS A 411 0.582 -7.312 -11.598 1.00 0.00 N ATOM 936 CA LYS A 411 0.967 -8.603 -12.233 1.00 0.00 C ATOM 937 C LYS A 411 -0.050 -9.681 -11.856 1.00 0.00 C ATOM 938 O LYS A 411 -0.775 -10.186 -12.692 1.00 0.00 O ATOM 939 CB LYS A 411 2.354 -9.020 -11.742 1.00 0.00 C ATOM 940 CG LYS A 411 3.310 -9.109 -12.932 1.00 0.00 C ATOM 941 CD LYS A 411 4.042 -10.451 -12.899 1.00 0.00 C ATOM 942 CE LYS A 411 5.174 -10.438 -13.928 1.00 0.00 C ATOM 943 NZ LYS A 411 4.753 -11.198 -15.140 1.00 0.00 N ATOM 0 H LYS A 411 1.196 -6.997 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 411 0.985 -8.482 -13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.727 -8.298 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.298 -9.983 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 411 2.756 -9.008 -13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.028 -8.290 -12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 411 4.444 -10.634 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 411 3.347 -11.262 -13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 411 5.423 -9.412 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 411 6.073 -10.882 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 5.522 -11.189 -15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 4.536 -12.180 -14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 3.906 -10.755 -15.551 1.00 0.00 H new ATOM 957 N ASN A 412 -0.106 -10.042 -10.603 1.00 0.00 N ATOM 958 CA ASN A 412 -1.074 -11.090 -10.168 1.00 0.00 C ATOM 959 C ASN A 412 -2.416 -10.868 -10.866 1.00 0.00 C ATOM 960 O ASN A 412 -3.086 -11.805 -11.254 1.00 0.00 O ATOM 961 CB ASN A 412 -1.265 -11.007 -8.652 1.00 0.00 C ATOM 962 CG ASN A 412 0.042 -11.383 -7.951 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.936 -11.936 -8.561 1.00 0.00 O ATOM 964 ND2 ASN A 412 0.194 -11.104 -6.685 1.00 0.00 N ATOM 0 H ASN A 412 0.477 -9.656 -9.861 1.00 0.00 H new ATOM 0 HA ASN A 412 -0.688 -12.074 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -1.566 -9.999 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.064 -11.678 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 412 1.062 -11.350 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -0.555 -10.640 -6.172 1.00 0.00 H new ATOM 971 N ALA A 413 -2.812 -9.637 -11.034 1.00 0.00 N ATOM 972 CA ALA A 413 -4.109 -9.361 -11.712 1.00 0.00 C ATOM 973 C ALA A 413 -3.993 -9.730 -13.192 1.00 0.00 C ATOM 974 O ALA A 413 -4.931 -10.213 -13.797 1.00 0.00 O ATOM 975 CB ALA A 413 -4.446 -7.874 -11.581 1.00 0.00 C ATOM 0 H ALA A 413 -2.295 -8.812 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 413 -4.898 -9.953 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.395 -7.671 -12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.524 -7.610 -10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.659 -7.280 -12.046 1.00 0.00 H new ATOM 981 N LEU A 414 -2.850 -9.507 -13.780 1.00 0.00 N ATOM 982 CA LEU A 414 -2.672 -9.843 -15.221 1.00 0.00 C ATOM 983 C LEU A 414 -2.798 -11.357 -15.416 1.00 0.00 C ATOM 984 O LEU A 414 -3.398 -11.822 -16.365 1.00 0.00 O ATOM 985 CB LEU A 414 -1.288 -9.386 -15.683 1.00 0.00 C ATOM 986 CG LEU A 414 -1.143 -9.634 -17.186 1.00 0.00 C ATOM 987 CD1 LEU A 414 -1.979 -8.610 -17.956 1.00 0.00 C ATOM 988 CD2 LEU A 414 0.328 -9.496 -17.587 1.00 0.00 C ATOM 0 H LEU A 414 -2.030 -9.106 -13.324 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.439 -9.337 -15.807 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -1.151 -8.327 -15.464 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.514 -9.927 -15.138 1.00 0.00 H new ATOM 0 HG LEU A 414 -1.492 -10.639 -17.423 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.875 -8.787 -19.027 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -3.027 -8.708 -17.672 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -1.631 -7.604 -17.719 1.00 0.00 H new ATOM 0 HD21 LEU A 414 0.431 -9.673 -18.658 1.00 0.00 H new ATOM 0 HD22 LEU A 414 0.677 -8.491 -17.350 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.924 -10.226 -17.040 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.236 -12.131 -14.527 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.325 -13.613 -14.669 1.00 0.00 C ATOM 1002 C ALA A 415 -3.791 -14.045 -14.611 1.00 0.00 C ATOM 1003 O ALA A 415 -4.198 -14.981 -15.269 1.00 0.00 O ATOM 1004 CB ALA A 415 -1.551 -14.284 -13.532 1.00 0.00 C ATOM 0 H ALA A 415 -1.720 -11.802 -13.711 1.00 0.00 H new ATOM 0 HA ALA A 415 -1.896 -13.911 -15.626 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -1.617 -15.367 -13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.506 -13.978 -13.573 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.979 -13.985 -12.575 1.00 0.00 H new ATOM 1010 N THR A 416 -4.587 -13.369 -13.830 1.00 0.00 N ATOM 1011 CA THR A 416 -6.026 -13.742 -13.730 1.00 0.00 C ATOM 1012 C THR A 416 -6.689 -13.595 -15.101 1.00 0.00 C ATOM 1013 O THR A 416 -7.525 -14.388 -15.483 1.00 0.00 O ATOM 1014 CB THR A 416 -6.723 -12.821 -12.729 1.00 0.00 C ATOM 1015 OG1 THR A 416 -6.094 -12.939 -11.461 1.00 0.00 O ATOM 1016 CG2 THR A 416 -8.195 -13.216 -12.610 1.00 0.00 C ATOM 0 H THR A 416 -4.303 -12.574 -13.257 1.00 0.00 H new ATOM 0 HA THR A 416 -6.109 -14.776 -13.394 1.00 0.00 H new ATOM 0 HB THR A 416 -6.653 -11.789 -13.074 1.00 0.00 H new ATOM 0 HG1 THR A 416 -5.220 -12.497 -11.487 1.00 0.00 H new ATOM 0 HG21 THR A 416 -8.691 -12.559 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 416 -8.676 -13.124 -13.584 1.00 0.00 H new ATOM 0 HG23 THR A 416 -8.268 -14.247 -12.265 1.00 0.00 H new