USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 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 Single : A 358 THR OG1 : rot 89:sc= 1.11 USER MOD Single : A 360 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 361 LYS NZ :NH3+ 157:sc= -0.0663 (180deg=-0.463) USER MOD Single : A 362 TYR OH : rot 180:sc= 0 USER MOD Single : A 371 THR OG1 : rot 78:sc= -4.01! USER MOD Single : A 379 SER OG : rot 180:sc= 0 USER MOD Single : A 380 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 TYR OH : rot 35:sc= -2.16 USER MOD Single : A 389 MET CE :methyl -138:sc= -8.15! (180deg=-12.1!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.2!) USER MOD Single : A 416 THR OG1 : rot 96:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -11.916 4.160 -17.619 1.00 0.00 N ATOM 44 CA ALA A 354 -11.912 2.700 -17.319 1.00 0.00 C ATOM 45 C ALA A 354 -10.513 2.274 -16.873 1.00 0.00 C ATOM 46 O ALA A 354 -10.346 1.300 -16.166 1.00 0.00 O ATOM 47 CB ALA A 354 -12.310 1.919 -18.573 1.00 0.00 C ATOM 0 HA ALA A 354 -12.625 2.492 -16.522 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -12.307 0.851 -18.353 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -13.309 2.222 -18.888 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.599 2.127 -19.372 1.00 0.00 H new ATOM 53 N ALA A 355 -9.504 2.996 -17.278 1.00 0.00 N ATOM 54 CA ALA A 355 -8.119 2.628 -16.872 1.00 0.00 C ATOM 55 C ALA A 355 -7.947 2.886 -15.376 1.00 0.00 C ATOM 56 O ALA A 355 -7.222 2.188 -14.694 1.00 0.00 O ATOM 57 CB ALA A 355 -7.114 3.469 -17.658 1.00 0.00 C ATOM 0 H ALA A 355 -9.579 3.823 -17.871 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.945 1.573 -17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -6.101 3.198 -17.360 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -7.240 3.284 -18.725 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.283 4.526 -17.451 1.00 0.00 H new ATOM 63 N ILE A 356 -8.617 3.876 -14.856 1.00 0.00 N ATOM 64 CA ILE A 356 -8.500 4.165 -13.402 1.00 0.00 C ATOM 65 C ILE A 356 -9.327 3.141 -12.632 1.00 0.00 C ATOM 66 O ILE A 356 -8.924 2.650 -11.596 1.00 0.00 O ATOM 67 CB ILE A 356 -9.021 5.572 -13.111 1.00 0.00 C ATOM 68 CG1 ILE A 356 -8.120 6.600 -13.799 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.012 5.812 -11.599 1.00 0.00 C ATOM 70 CD1 ILE A 356 -8.482 8.005 -13.315 1.00 0.00 C ATOM 0 H ILE A 356 -9.239 4.496 -15.375 1.00 0.00 H new ATOM 0 HA ILE A 356 -7.456 4.106 -13.095 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.038 5.672 -13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -7.074 6.387 -13.579 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -8.238 6.535 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -9.383 6.815 -11.388 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -9.652 5.078 -11.110 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -7.994 5.715 -11.221 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -7.839 8.736 -13.806 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -9.523 8.216 -13.558 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -8.342 8.065 -12.236 1.00 0.00 H new ATOM 82 N ASP A 357 -10.478 2.804 -13.141 1.00 0.00 N ATOM 83 CA ASP A 357 -11.329 1.798 -12.453 1.00 0.00 C ATOM 84 C ASP A 357 -10.612 0.450 -12.482 1.00 0.00 C ATOM 85 O ASP A 357 -10.586 -0.272 -11.505 1.00 0.00 O ATOM 86 CB ASP A 357 -12.673 1.682 -13.174 1.00 0.00 C ATOM 87 CG ASP A 357 -13.618 0.801 -12.353 1.00 0.00 C ATOM 88 OD1 ASP A 357 -14.190 1.306 -11.402 1.00 0.00 O ATOM 89 OD2 ASP A 357 -13.751 -0.364 -12.689 1.00 0.00 O ATOM 0 H ASP A 357 -10.866 3.183 -14.005 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.506 2.103 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.110 2.671 -13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -12.530 1.254 -14.166 1.00 0.00 H new ATOM 94 N THR A 358 -10.010 0.111 -13.590 1.00 0.00 N ATOM 95 CA THR A 358 -9.280 -1.183 -13.667 1.00 0.00 C ATOM 96 C THR A 358 -8.297 -1.249 -12.502 1.00 0.00 C ATOM 97 O THR A 358 -8.376 -2.115 -11.654 1.00 0.00 O ATOM 98 CB THR A 358 -8.519 -1.264 -14.993 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.416 -1.020 -16.068 1.00 0.00 O ATOM 100 CG2 THR A 358 -7.901 -2.654 -15.145 1.00 0.00 C ATOM 0 H THR A 358 -9.993 0.673 -14.441 1.00 0.00 H new ATOM 0 HA THR A 358 -9.981 -2.016 -13.612 1.00 0.00 H new ATOM 0 HB THR A 358 -7.727 -0.515 -15.004 1.00 0.00 H new ATOM 0 HG1 THR A 358 -9.445 -0.059 -16.258 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.360 -2.710 -16.089 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.212 -2.838 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 358 -8.690 -3.406 -15.134 1.00 0.00 H new ATOM 108 N PHE A 359 -7.384 -0.323 -12.445 1.00 0.00 N ATOM 109 CA PHE A 359 -6.407 -0.309 -11.324 1.00 0.00 C ATOM 110 C PHE A 359 -7.179 -0.389 -10.007 1.00 0.00 C ATOM 111 O PHE A 359 -6.853 -1.159 -9.125 1.00 0.00 O ATOM 112 CB PHE A 359 -5.605 0.995 -11.355 1.00 0.00 C ATOM 113 CG PHE A 359 -4.713 1.034 -12.576 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.577 -0.097 -13.390 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.019 2.210 -12.891 1.00 0.00 C ATOM 116 CE1 PHE A 359 -3.747 -0.051 -14.518 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.191 2.255 -14.016 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.054 1.126 -14.831 1.00 0.00 C ATOM 0 H PHE A 359 -7.272 0.426 -13.128 1.00 0.00 H new ATOM 0 HA PHE A 359 -5.724 -1.154 -11.418 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.284 1.847 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.001 1.080 -10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.111 -1.004 -13.149 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.124 3.083 -12.264 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.641 -0.923 -15.146 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -2.656 3.162 -14.256 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.415 1.162 -15.701 1.00 0.00 H new ATOM 128 N THR A 360 -8.208 0.402 -9.874 1.00 0.00 N ATOM 129 CA THR A 360 -9.015 0.383 -8.625 1.00 0.00 C ATOM 130 C THR A 360 -9.655 -0.994 -8.453 1.00 0.00 C ATOM 131 O THR A 360 -9.896 -1.446 -7.351 1.00 0.00 O ATOM 132 CB THR A 360 -10.114 1.444 -8.717 1.00 0.00 C ATOM 133 OG1 THR A 360 -9.537 2.690 -9.083 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.811 1.580 -7.363 1.00 0.00 C ATOM 0 H THR A 360 -8.525 1.064 -10.582 1.00 0.00 H new ATOM 0 HA THR A 360 -8.371 0.594 -7.771 1.00 0.00 H new ATOM 0 HB THR A 360 -10.844 1.146 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 360 -9.624 2.819 -10.051 1.00 0.00 H new ATOM 0 HG21 THR A 360 -11.593 2.336 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 360 -11.254 0.624 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 360 -10.084 1.877 -6.608 1.00 0.00 H new ATOM 142 N LYS A 361 -9.938 -1.663 -9.535 1.00 0.00 N ATOM 143 CA LYS A 361 -10.568 -3.007 -9.434 1.00 0.00 C ATOM 144 C LYS A 361 -9.493 -4.062 -9.158 1.00 0.00 C ATOM 145 O LYS A 361 -9.734 -5.045 -8.486 1.00 0.00 O ATOM 146 CB LYS A 361 -11.277 -3.338 -10.749 1.00 0.00 C ATOM 147 CG LYS A 361 -11.753 -4.792 -10.715 1.00 0.00 C ATOM 148 CD LYS A 361 -12.297 -5.184 -12.091 1.00 0.00 C ATOM 149 CE LYS A 361 -13.108 -6.476 -11.966 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.384 -6.196 -11.247 1.00 0.00 N ATOM 0 H LYS A 361 -9.760 -1.337 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.291 -3.005 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.125 -2.669 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.600 -3.185 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -10.929 -5.449 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.527 -4.915 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -12.923 -4.385 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.475 -5.324 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -13.318 -6.883 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -12.532 -7.228 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -15.086 -6.924 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -14.214 -6.207 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -14.743 -5.261 -11.528 1.00 0.00 H new ATOM 164 N TYR A 362 -8.315 -3.877 -9.685 1.00 0.00 N ATOM 165 CA TYR A 362 -7.236 -4.881 -9.468 1.00 0.00 C ATOM 166 C TYR A 362 -6.247 -4.388 -8.406 1.00 0.00 C ATOM 167 O TYR A 362 -5.979 -5.068 -7.436 1.00 0.00 O ATOM 168 CB TYR A 362 -6.500 -5.113 -10.786 1.00 0.00 C ATOM 169 CG TYR A 362 -7.409 -5.853 -11.737 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.335 -5.145 -12.514 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.330 -7.247 -11.840 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.181 -5.832 -13.393 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.177 -7.934 -12.720 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.102 -7.226 -13.496 1.00 0.00 C ATOM 175 OH TYR A 362 -9.937 -7.902 -14.363 1.00 0.00 O ATOM 0 H TYR A 362 -8.053 -3.074 -10.257 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.681 -5.813 -9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.197 -4.160 -11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.590 -5.687 -10.612 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.396 -4.070 -12.435 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.616 -7.793 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -9.895 -5.286 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -8.116 -9.009 -12.799 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.752 -8.863 -14.313 1.00 0.00 H new ATOM 185 N LEU A 363 -5.692 -3.220 -8.584 1.00 0.00 N ATOM 186 CA LEU A 363 -4.713 -2.708 -7.581 1.00 0.00 C ATOM 187 C LEU A 363 -5.404 -2.529 -6.227 1.00 0.00 C ATOM 188 O LEU A 363 -4.761 -2.347 -5.214 1.00 0.00 O ATOM 189 CB LEU A 363 -4.152 -1.356 -8.041 1.00 0.00 C ATOM 190 CG LEU A 363 -3.047 -1.561 -9.086 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.219 -2.800 -8.737 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.677 -1.737 -10.468 1.00 0.00 C ATOM 0 H LEU A 363 -5.872 -2.601 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 363 -3.899 -3.427 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -4.952 -0.748 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.755 -0.810 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.395 -0.688 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -1.437 -2.938 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -1.764 -2.669 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -2.866 -3.677 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -2.892 -1.883 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.334 -2.606 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -4.254 -0.848 -10.721 1.00 0.00 H new ATOM 204 N ASP A 364 -6.708 -2.570 -6.200 1.00 0.00 N ATOM 205 CA ASP A 364 -7.422 -2.390 -4.904 1.00 0.00 C ATOM 206 C ASP A 364 -7.076 -1.013 -4.342 1.00 0.00 C ATOM 207 O ASP A 364 -6.728 -0.866 -3.187 1.00 0.00 O ATOM 208 CB ASP A 364 -6.979 -3.472 -3.917 1.00 0.00 C ATOM 209 CG ASP A 364 -7.474 -4.837 -4.397 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.312 -4.863 -5.284 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.008 -5.833 -3.869 1.00 0.00 O ATOM 0 H ASP A 364 -7.306 -2.719 -7.013 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.498 -2.470 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -5.892 -3.477 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.376 -3.258 -2.925 1.00 0.00 H new ATOM 216 N ILE A 365 -7.165 -0.003 -5.160 1.00 0.00 N ATOM 217 CA ILE A 365 -6.838 1.372 -4.690 1.00 0.00 C ATOM 218 C ILE A 365 -7.991 2.317 -5.023 1.00 0.00 C ATOM 219 O ILE A 365 -8.967 1.931 -5.636 1.00 0.00 O ATOM 220 CB ILE A 365 -5.567 1.855 -5.390 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.580 1.386 -6.846 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.343 1.278 -4.679 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.054 2.504 -7.749 1.00 0.00 C ATOM 0 H ILE A 365 -7.451 -0.070 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.682 1.360 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.525 2.944 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -4.963 0.494 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.593 1.112 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.437 1.622 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.335 1.611 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.383 0.189 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.064 2.169 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.689 3.384 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.034 2.757 -7.459 1.00 0.00 H new ATOM 235 N ASP A 366 -7.883 3.556 -4.631 1.00 0.00 N ATOM 236 CA ASP A 366 -8.969 4.525 -4.935 1.00 0.00 C ATOM 237 C ASP A 366 -8.779 5.051 -6.356 1.00 0.00 C ATOM 238 O ASP A 366 -7.723 4.912 -6.941 1.00 0.00 O ATOM 239 CB ASP A 366 -8.913 5.691 -3.945 1.00 0.00 C ATOM 240 CG ASP A 366 -8.859 5.147 -2.515 1.00 0.00 C ATOM 241 OD1 ASP A 366 -9.311 4.033 -2.309 1.00 0.00 O ATOM 242 OD2 ASP A 366 -8.369 5.855 -1.652 1.00 0.00 O ATOM 0 H ASP A 366 -7.091 3.938 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 366 -9.937 4.031 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.037 6.308 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.788 6.329 -4.069 1.00 0.00 H new ATOM 247 N GLU A 367 -9.789 5.649 -6.919 1.00 0.00 N ATOM 248 CA GLU A 367 -9.656 6.176 -8.304 1.00 0.00 C ATOM 249 C GLU A 367 -8.621 7.301 -8.324 1.00 0.00 C ATOM 250 O GLU A 367 -7.806 7.396 -9.223 1.00 0.00 O ATOM 251 CB GLU A 367 -11.010 6.712 -8.776 1.00 0.00 C ATOM 252 CG GLU A 367 -12.025 5.569 -8.801 1.00 0.00 C ATOM 253 CD GLU A 367 -13.368 6.092 -9.314 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.498 7.297 -9.451 1.00 0.00 O ATOM 255 OE2 GLU A 367 -14.243 5.278 -9.563 1.00 0.00 O ATOM 0 H GLU A 367 -10.699 5.796 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.332 5.376 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.353 7.504 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -10.914 7.150 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -11.667 4.764 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -12.143 5.151 -7.801 1.00 0.00 H new ATOM 262 N ASP A 368 -8.648 8.157 -7.341 1.00 0.00 N ATOM 263 CA ASP A 368 -7.672 9.284 -7.297 1.00 0.00 C ATOM 264 C ASP A 368 -6.242 8.743 -7.385 1.00 0.00 C ATOM 265 O ASP A 368 -5.369 9.364 -7.959 1.00 0.00 O ATOM 266 CB ASP A 368 -7.843 10.046 -5.983 1.00 0.00 C ATOM 267 CG ASP A 368 -8.971 11.069 -6.128 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.501 11.186 -7.221 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.287 11.717 -5.143 1.00 0.00 O ATOM 0 H ASP A 368 -9.306 8.125 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 368 -7.855 9.950 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -8.070 9.351 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -6.913 10.550 -5.719 1.00 0.00 H new ATOM 274 N PHE A 369 -5.993 7.593 -6.821 1.00 0.00 N ATOM 275 CA PHE A 369 -4.617 7.020 -6.874 1.00 0.00 C ATOM 276 C PHE A 369 -4.394 6.366 -8.239 1.00 0.00 C ATOM 277 O PHE A 369 -3.371 6.550 -8.868 1.00 0.00 O ATOM 278 CB PHE A 369 -4.458 5.971 -5.771 1.00 0.00 C ATOM 279 CG PHE A 369 -3.046 5.433 -5.777 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.661 4.480 -6.728 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.122 5.884 -4.826 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.354 3.979 -6.729 1.00 0.00 C ATOM 283 CE2 PHE A 369 -0.814 5.384 -4.827 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.430 4.431 -5.778 1.00 0.00 C ATOM 0 H PHE A 369 -6.681 7.026 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 369 -3.884 7.813 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.685 6.413 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.168 5.158 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.373 4.131 -7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.419 6.618 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.058 3.244 -7.463 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.102 5.733 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.578 4.044 -5.778 1.00 0.00 H new ATOM 294 N ALA A 370 -5.347 5.605 -8.700 1.00 0.00 N ATOM 295 CA ALA A 370 -5.197 4.938 -10.022 1.00 0.00 C ATOM 296 C ALA A 370 -4.854 5.985 -11.086 1.00 0.00 C ATOM 297 O ALA A 370 -4.003 5.775 -11.927 1.00 0.00 O ATOM 298 CB ALA A 370 -6.510 4.245 -10.390 1.00 0.00 C ATOM 0 H ALA A 370 -6.225 5.416 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.397 4.199 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.404 3.755 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.754 3.501 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.309 4.984 -10.443 1.00 0.00 H new ATOM 304 N THR A 371 -5.518 7.108 -11.060 1.00 0.00 N ATOM 305 CA THR A 371 -5.239 8.164 -12.075 1.00 0.00 C ATOM 306 C THR A 371 -3.736 8.452 -12.130 1.00 0.00 C ATOM 307 O THR A 371 -3.163 8.577 -13.191 1.00 0.00 O ATOM 308 CB THR A 371 -5.985 9.448 -11.703 1.00 0.00 C ATOM 309 OG1 THR A 371 -7.270 9.120 -11.197 1.00 0.00 O ATOM 310 CG2 THR A 371 -6.132 10.327 -12.947 1.00 0.00 C ATOM 0 H THR A 371 -6.242 7.340 -10.380 1.00 0.00 H new ATOM 0 HA THR A 371 -5.576 7.814 -13.051 1.00 0.00 H new ATOM 0 HB THR A 371 -5.424 9.988 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 371 -7.187 8.804 -10.273 1.00 0.00 H new ATOM 0 HG21 THR A 371 -6.663 11.242 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 371 -5.144 10.578 -13.334 1.00 0.00 H new ATOM 0 HG23 THR A 371 -6.694 9.787 -13.710 1.00 0.00 H new ATOM 318 N VAL A 372 -3.091 8.571 -11.001 1.00 0.00 N ATOM 319 CA VAL A 372 -1.627 8.862 -11.012 1.00 0.00 C ATOM 320 C VAL A 372 -0.893 7.785 -11.814 1.00 0.00 C ATOM 321 O VAL A 372 0.136 8.036 -12.410 1.00 0.00 O ATOM 322 CB VAL A 372 -1.097 8.886 -9.576 1.00 0.00 C ATOM 323 CG1 VAL A 372 -2.080 9.651 -8.689 1.00 0.00 C ATOM 324 CG2 VAL A 372 -0.948 7.455 -9.054 1.00 0.00 C ATOM 0 H VAL A 372 -3.511 8.480 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.457 9.834 -11.476 1.00 0.00 H new ATOM 0 HB VAL A 372 -0.124 9.377 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 372 -1.707 9.671 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 372 -2.184 10.672 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 372 -3.051 9.157 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -0.570 7.478 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.918 6.958 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -0.249 6.908 -9.687 1.00 0.00 H new ATOM 334 N LEU A 373 -1.415 6.590 -11.844 1.00 0.00 N ATOM 335 CA LEU A 373 -0.749 5.508 -12.616 1.00 0.00 C ATOM 336 C LEU A 373 -1.100 5.666 -14.094 1.00 0.00 C ATOM 337 O LEU A 373 -0.256 5.553 -14.961 1.00 0.00 O ATOM 338 CB LEU A 373 -1.237 4.146 -12.114 1.00 0.00 C ATOM 339 CG LEU A 373 -0.813 3.937 -10.654 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.474 4.716 -10.366 1.00 0.00 C ATOM 341 CD2 LEU A 373 -1.925 4.428 -9.726 1.00 0.00 C ATOM 0 H LEU A 373 -2.274 6.318 -11.367 1.00 0.00 H new ATOM 0 HA LEU A 373 0.331 5.571 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.322 4.087 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.826 3.352 -12.737 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.634 2.876 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.768 4.562 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.268 4.363 -11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.303 5.778 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.625 4.280 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.106 5.488 -9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.838 3.866 -9.923 1.00 0.00 H new ATOM 353 N VAL A 374 -2.342 5.938 -14.385 1.00 0.00 N ATOM 354 CA VAL A 374 -2.753 6.116 -15.804 1.00 0.00 C ATOM 355 C VAL A 374 -2.363 7.521 -16.261 1.00 0.00 C ATOM 356 O VAL A 374 -2.195 7.785 -17.435 1.00 0.00 O ATOM 357 CB VAL A 374 -4.267 5.946 -15.915 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.732 6.419 -17.292 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.626 4.472 -15.732 1.00 0.00 C ATOM 0 H VAL A 374 -3.090 6.045 -13.700 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.258 5.374 -16.431 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.759 6.538 -15.144 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.812 6.298 -17.373 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.474 7.470 -17.422 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.242 5.827 -18.065 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.706 4.348 -15.811 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.135 3.879 -16.504 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.293 4.136 -14.750 1.00 0.00 H new ATOM 369 N GLU A 375 -2.221 8.423 -15.330 1.00 0.00 N ATOM 370 CA GLU A 375 -1.844 9.819 -15.682 1.00 0.00 C ATOM 371 C GLU A 375 -0.400 9.846 -16.188 1.00 0.00 C ATOM 372 O GLU A 375 -0.086 10.494 -17.167 1.00 0.00 O ATOM 373 CB GLU A 375 -1.964 10.696 -14.435 1.00 0.00 C ATOM 374 CG GLU A 375 -3.424 11.113 -14.244 1.00 0.00 C ATOM 375 CD GLU A 375 -3.875 11.951 -15.442 1.00 0.00 C ATOM 376 OE1 GLU A 375 -3.014 12.467 -16.138 1.00 0.00 O ATOM 377 OE2 GLU A 375 -5.072 12.063 -15.644 1.00 0.00 O ATOM 0 H GLU A 375 -2.351 8.251 -14.333 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.506 10.194 -16.462 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.613 10.151 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.333 11.579 -14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -4.056 10.230 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.532 11.687 -13.324 1.00 0.00 H new ATOM 384 N GLU A 376 0.479 9.147 -15.526 1.00 0.00 N ATOM 385 CA GLU A 376 1.903 9.133 -15.963 1.00 0.00 C ATOM 386 C GLU A 376 2.025 8.415 -17.309 1.00 0.00 C ATOM 387 O GLU A 376 2.929 8.673 -18.079 1.00 0.00 O ATOM 388 CB GLU A 376 2.749 8.406 -14.917 1.00 0.00 C ATOM 389 CG GLU A 376 4.226 8.488 -15.310 1.00 0.00 C ATOM 390 CD GLU A 376 4.747 9.901 -15.042 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.157 10.582 -14.219 1.00 0.00 O ATOM 392 OE2 GLU A 376 5.728 10.277 -15.661 1.00 0.00 O ATOM 0 H GLU A 376 0.273 8.584 -14.701 1.00 0.00 H new ATOM 0 HA GLU A 376 2.257 10.158 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.597 8.854 -13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.439 7.364 -14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.806 7.761 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.347 8.238 -16.364 1.00 0.00 H new ATOM 399 N GLY A 377 1.123 7.517 -17.604 1.00 0.00 N ATOM 400 CA GLY A 377 1.199 6.792 -18.906 1.00 0.00 C ATOM 401 C GLY A 377 1.068 5.285 -18.670 1.00 0.00 C ATOM 402 O GLY A 377 1.534 4.483 -19.455 1.00 0.00 O ATOM 0 H GLY A 377 0.341 7.255 -17.004 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.406 7.135 -19.571 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.146 7.011 -19.400 1.00 0.00 H new ATOM 406 N PHE A 378 0.435 4.892 -17.600 1.00 0.00 N ATOM 407 CA PHE A 378 0.273 3.437 -17.321 1.00 0.00 C ATOM 408 C PHE A 378 -1.216 3.122 -17.166 1.00 0.00 C ATOM 409 O PHE A 378 -1.735 3.064 -16.071 1.00 0.00 O ATOM 410 CB PHE A 378 1.006 3.078 -16.027 1.00 0.00 C ATOM 411 CG PHE A 378 2.475 3.401 -16.166 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.885 4.722 -16.388 1.00 0.00 C ATOM 413 CD2 PHE A 378 3.427 2.379 -16.073 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.248 5.020 -16.515 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.789 2.677 -16.200 1.00 0.00 C ATOM 416 CZ PHE A 378 5.199 3.997 -16.422 1.00 0.00 C ATOM 0 H PHE A 378 0.022 5.515 -16.906 1.00 0.00 H new ATOM 0 HA PHE A 378 0.690 2.857 -18.144 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.580 3.632 -15.191 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.876 2.018 -15.806 1.00 0.00 H new ATOM 0 HD1 PHE A 378 2.151 5.510 -16.461 1.00 0.00 H new ATOM 0 HD2 PHE A 378 3.111 1.360 -15.903 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.565 6.038 -16.685 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.523 1.889 -16.127 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.250 4.226 -16.522 1.00 0.00 H new ATOM 426 N SER A 379 -1.909 2.935 -18.255 1.00 0.00 N ATOM 427 CA SER A 379 -3.368 2.644 -18.165 1.00 0.00 C ATOM 428 C SER A 379 -3.616 1.139 -18.280 1.00 0.00 C ATOM 429 O SER A 379 -4.743 0.689 -18.301 1.00 0.00 O ATOM 430 CB SER A 379 -4.097 3.369 -19.295 1.00 0.00 C ATOM 431 OG SER A 379 -3.765 2.762 -20.535 1.00 0.00 O ATOM 0 H SER A 379 -1.530 2.971 -19.201 1.00 0.00 H new ATOM 0 HA SER A 379 -3.742 2.990 -17.201 1.00 0.00 H new ATOM 0 HB2 SER A 379 -5.174 3.327 -19.134 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.817 4.422 -19.306 1.00 0.00 H new ATOM 0 HG SER A 379 -4.233 3.224 -21.261 1.00 0.00 H new ATOM 437 N THR A 380 -2.578 0.355 -18.352 1.00 0.00 N ATOM 438 CA THR A 380 -2.774 -1.117 -18.463 1.00 0.00 C ATOM 439 C THR A 380 -2.049 -1.815 -17.312 1.00 0.00 C ATOM 440 O THR A 380 -0.980 -1.409 -16.900 1.00 0.00 O ATOM 441 CB THR A 380 -2.215 -1.608 -19.799 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.722 -2.907 -20.072 1.00 0.00 O ATOM 443 CG2 THR A 380 -0.690 -1.658 -19.729 1.00 0.00 C ATOM 0 H THR A 380 -1.607 0.667 -18.339 1.00 0.00 H new ATOM 0 HA THR A 380 -3.838 -1.348 -18.412 1.00 0.00 H new ATOM 0 HB THR A 380 -2.516 -0.925 -20.593 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.367 -3.223 -20.929 1.00 0.00 H new ATOM 0 HG21 THR A 380 -0.293 -2.008 -20.682 1.00 0.00 H new ATOM 0 HG22 THR A 380 -0.303 -0.661 -19.519 1.00 0.00 H new ATOM 0 HG23 THR A 380 -0.384 -2.341 -18.936 1.00 0.00 H new ATOM 451 N LEU A 381 -2.620 -2.865 -16.790 1.00 0.00 N ATOM 452 CA LEU A 381 -1.962 -3.589 -15.669 1.00 0.00 C ATOM 453 C LEU A 381 -0.573 -4.049 -16.112 1.00 0.00 C ATOM 454 O LEU A 381 0.329 -4.194 -15.311 1.00 0.00 O ATOM 455 CB LEU A 381 -2.808 -4.805 -15.283 1.00 0.00 C ATOM 456 CG LEU A 381 -4.079 -4.333 -14.572 1.00 0.00 C ATOM 457 CD1 LEU A 381 -5.107 -3.883 -15.612 1.00 0.00 C ATOM 458 CD2 LEU A 381 -4.660 -5.482 -13.745 1.00 0.00 C ATOM 0 H LEU A 381 -3.514 -3.252 -17.092 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.868 -2.927 -14.808 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -3.067 -5.379 -16.173 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.238 -5.467 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 381 -3.838 -3.499 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -6.012 -3.547 -15.107 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.694 -3.064 -16.201 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -5.348 -4.718 -16.271 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -5.565 -5.145 -13.239 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -4.901 -6.317 -14.402 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -3.928 -5.803 -13.004 1.00 0.00 H new ATOM 470 N GLU A 382 -0.394 -4.278 -17.385 1.00 0.00 N ATOM 471 CA GLU A 382 0.936 -4.729 -17.883 1.00 0.00 C ATOM 472 C GLU A 382 2.014 -3.740 -17.434 1.00 0.00 C ATOM 473 O GLU A 382 2.955 -4.104 -16.758 1.00 0.00 O ATOM 474 CB GLU A 382 0.912 -4.802 -19.410 1.00 0.00 C ATOM 475 CG GLU A 382 -0.035 -5.921 -19.850 1.00 0.00 C ATOM 476 CD GLU A 382 -0.007 -6.042 -21.375 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.604 -5.196 -22.007 1.00 0.00 O ATOM 478 OE2 GLU A 382 -0.599 -6.979 -21.885 1.00 0.00 O ATOM 0 H GLU A 382 -1.112 -4.172 -18.102 1.00 0.00 H new ATOM 0 HA GLU A 382 1.159 -5.716 -17.477 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.585 -3.849 -19.826 1.00 0.00 H new ATOM 0 HB3 GLU A 382 1.916 -4.989 -19.792 1.00 0.00 H new ATOM 0 HG2 GLU A 382 0.263 -6.865 -19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.049 -5.709 -19.510 1.00 0.00 H new ATOM 485 N GLU A 383 1.885 -2.492 -17.796 1.00 0.00 N ATOM 486 CA GLU A 383 2.907 -1.495 -17.378 1.00 0.00 C ATOM 487 C GLU A 383 2.981 -1.480 -15.854 1.00 0.00 C ATOM 488 O GLU A 383 4.046 -1.484 -15.271 1.00 0.00 O ATOM 489 CB GLU A 383 2.509 -0.107 -17.885 1.00 0.00 C ATOM 490 CG GLU A 383 2.352 -0.146 -19.408 1.00 0.00 C ATOM 491 CD GLU A 383 3.712 -0.412 -20.056 1.00 0.00 C ATOM 492 OE1 GLU A 383 4.711 -0.286 -19.367 1.00 0.00 O ATOM 493 OE2 GLU A 383 3.732 -0.737 -21.232 1.00 0.00 O ATOM 0 H GLU A 383 1.120 -2.123 -18.360 1.00 0.00 H new ATOM 0 HA GLU A 383 3.878 -1.762 -17.796 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.575 0.208 -17.420 1.00 0.00 H new ATOM 0 HB3 GLU A 383 3.266 0.625 -17.605 1.00 0.00 H new ATOM 0 HG2 GLU A 383 1.644 -0.925 -19.691 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.946 0.800 -19.766 1.00 0.00 H new ATOM 500 N LEU A 384 1.849 -1.465 -15.207 1.00 0.00 N ATOM 501 CA LEU A 384 1.833 -1.453 -13.719 1.00 0.00 C ATOM 502 C LEU A 384 2.453 -2.748 -13.187 1.00 0.00 C ATOM 503 O LEU A 384 2.874 -2.825 -12.050 1.00 0.00 O ATOM 504 CB LEU A 384 0.386 -1.353 -13.236 1.00 0.00 C ATOM 505 CG LEU A 384 0.112 0.057 -12.713 1.00 0.00 C ATOM 506 CD1 LEU A 384 0.276 1.065 -13.850 1.00 0.00 C ATOM 507 CD2 LEU A 384 -1.317 0.123 -12.176 1.00 0.00 C ATOM 0 H LEU A 384 0.929 -1.461 -15.648 1.00 0.00 H new ATOM 0 HA LEU A 384 2.407 -0.601 -13.355 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -0.297 -1.587 -14.053 1.00 0.00 H new ATOM 0 HB3 LEU A 384 0.204 -2.085 -12.449 1.00 0.00 H new ATOM 0 HG LEU A 384 0.816 0.295 -11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.080 2.070 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 384 1.293 1.014 -14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.429 0.831 -14.648 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -1.519 1.126 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -2.018 -0.113 -12.977 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -1.435 -0.597 -11.366 1.00 0.00 H new ATOM 519 N ALA A 385 2.499 -3.772 -13.995 1.00 0.00 N ATOM 520 CA ALA A 385 3.081 -5.066 -13.530 1.00 0.00 C ATOM 521 C ALA A 385 4.541 -5.178 -13.971 1.00 0.00 C ATOM 522 O ALA A 385 5.407 -5.532 -13.196 1.00 0.00 O ATOM 523 CB ALA A 385 2.288 -6.226 -14.139 1.00 0.00 C ATOM 0 H ALA A 385 2.159 -3.770 -14.957 1.00 0.00 H new ATOM 0 HA ALA A 385 3.030 -5.105 -12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.710 -7.172 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.247 -6.160 -13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.342 -6.172 -15.226 1.00 0.00 H new ATOM 529 N TYR A 386 4.819 -4.900 -15.212 1.00 0.00 N ATOM 530 CA TYR A 386 6.220 -5.014 -15.706 1.00 0.00 C ATOM 531 C TYR A 386 7.038 -3.809 -15.246 1.00 0.00 C ATOM 532 O TYR A 386 8.250 -3.862 -15.179 1.00 0.00 O ATOM 533 CB TYR A 386 6.205 -5.098 -17.231 1.00 0.00 C ATOM 534 CG TYR A 386 5.264 -6.205 -17.636 1.00 0.00 C ATOM 535 CD1 TYR A 386 5.599 -7.537 -17.369 1.00 0.00 C ATOM 536 CD2 TYR A 386 4.049 -5.900 -18.259 1.00 0.00 C ATOM 537 CE1 TYR A 386 4.719 -8.566 -17.726 1.00 0.00 C ATOM 538 CE2 TYR A 386 3.170 -6.929 -18.618 1.00 0.00 C ATOM 539 CZ TYR A 386 3.504 -8.262 -18.351 1.00 0.00 C ATOM 540 OH TYR A 386 2.637 -9.276 -18.704 1.00 0.00 O ATOM 0 H TYR A 386 4.137 -4.598 -15.908 1.00 0.00 H new ATOM 0 HA TYR A 386 6.681 -5.914 -15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.882 -4.149 -17.660 1.00 0.00 H new ATOM 0 HB3 TYR A 386 7.208 -5.295 -17.610 1.00 0.00 H new ATOM 0 HD1 TYR A 386 6.537 -7.772 -16.887 1.00 0.00 H new ATOM 0 HD2 TYR A 386 3.789 -4.872 -18.463 1.00 0.00 H new ATOM 0 HE1 TYR A 386 4.978 -9.594 -17.519 1.00 0.00 H new ATOM 0 HE2 TYR A 386 2.233 -6.694 -19.101 1.00 0.00 H new ATOM 0 HH TYR A 386 2.682 -9.992 -18.036 1.00 0.00 H new ATOM 550 N VAL A 387 6.392 -2.727 -14.910 1.00 0.00 N ATOM 551 CA VAL A 387 7.150 -1.538 -14.437 1.00 0.00 C ATOM 552 C VAL A 387 7.924 -1.930 -13.176 1.00 0.00 C ATOM 553 O VAL A 387 7.365 -2.471 -12.243 1.00 0.00 O ATOM 554 CB VAL A 387 6.175 -0.404 -14.115 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.170 -0.879 -13.063 1.00 0.00 C ATOM 556 CG2 VAL A 387 6.947 0.801 -13.576 1.00 0.00 C ATOM 0 H VAL A 387 5.379 -2.616 -14.942 1.00 0.00 H new ATOM 0 HA VAL A 387 7.841 -1.199 -15.209 1.00 0.00 H new ATOM 0 HB VAL A 387 5.644 -0.116 -15.022 1.00 0.00 H new ATOM 0 HG11 VAL A 387 4.475 -0.071 -12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 387 4.617 -1.735 -13.449 1.00 0.00 H new ATOM 0 HG13 VAL A 387 5.702 -1.169 -12.157 1.00 0.00 H new ATOM 0 HG21 VAL A 387 6.250 1.607 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 387 7.481 0.515 -12.670 1.00 0.00 H new ATOM 0 HG23 VAL A 387 7.661 1.141 -14.326 1.00 0.00 H new ATOM 566 N PRO A 388 9.240 -1.670 -13.155 1.00 0.00 N ATOM 567 CA PRO A 388 10.089 -2.018 -12.013 1.00 0.00 C ATOM 568 C PRO A 388 9.783 -1.170 -10.779 1.00 0.00 C ATOM 569 O PRO A 388 9.083 -0.179 -10.841 1.00 0.00 O ATOM 570 CB PRO A 388 11.502 -1.730 -12.510 1.00 0.00 C ATOM 571 CG PRO A 388 11.320 -0.711 -13.579 1.00 0.00 C ATOM 572 CD PRO A 388 10.001 -1.018 -14.234 1.00 0.00 C ATOM 0 HA PRO A 388 9.935 -3.050 -11.700 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.136 -1.354 -11.707 1.00 0.00 H new ATOM 0 HB3 PRO A 388 11.978 -2.631 -12.897 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.322 0.296 -13.161 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.134 -0.757 -14.303 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.506 -0.114 -14.588 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.121 -1.674 -15.096 1.00 0.00 H new ATOM 580 N MET A 389 10.299 -1.573 -9.655 1.00 0.00 N ATOM 581 CA MET A 389 10.046 -0.826 -8.390 1.00 0.00 C ATOM 582 C MET A 389 10.460 0.640 -8.544 1.00 0.00 C ATOM 583 O MET A 389 9.644 1.536 -8.469 1.00 0.00 O ATOM 584 CB MET A 389 10.854 -1.466 -7.259 1.00 0.00 C ATOM 585 CG MET A 389 9.982 -1.576 -6.006 1.00 0.00 C ATOM 586 SD MET A 389 9.299 0.050 -5.602 1.00 0.00 S ATOM 587 CE MET A 389 10.872 0.887 -5.286 1.00 0.00 C ATOM 0 H MET A 389 10.892 -2.397 -9.555 1.00 0.00 H new ATOM 0 HA MET A 389 8.982 -0.868 -8.159 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.202 -2.454 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.740 -0.867 -7.047 1.00 0.00 H new ATOM 0 HG2 MET A 389 9.175 -2.290 -6.173 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.573 -1.952 -5.171 1.00 0.00 H new ATOM 0 HE1 MET A 389 10.776 1.522 -4.405 1.00 0.00 H new ATOM 0 HE2 MET A 389 11.651 0.144 -5.115 1.00 0.00 H new ATOM 0 HE3 MET A 389 11.138 1.500 -6.147 1.00 0.00 H new ATOM 597 N LYS A 390 11.725 0.892 -8.736 1.00 0.00 N ATOM 598 CA LYS A 390 12.200 2.301 -8.867 1.00 0.00 C ATOM 599 C LYS A 390 11.384 3.057 -9.923 1.00 0.00 C ATOM 600 O LYS A 390 10.893 4.138 -9.675 1.00 0.00 O ATOM 601 CB LYS A 390 13.676 2.300 -9.266 1.00 0.00 C ATOM 602 CG LYS A 390 14.506 1.683 -8.139 1.00 0.00 C ATOM 603 CD LYS A 390 15.992 1.754 -8.498 1.00 0.00 C ATOM 604 CE LYS A 390 16.810 0.998 -7.448 1.00 0.00 C ATOM 605 NZ LYS A 390 17.739 1.944 -6.768 1.00 0.00 N ATOM 0 H LYS A 390 12.454 0.182 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 390 12.072 2.804 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.815 1.734 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 390 14.011 3.318 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 390 14.321 2.214 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 390 14.209 0.646 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 390 16.159 1.322 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 390 16.316 2.794 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 390 16.146 0.535 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 390 17.374 0.194 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 18.295 1.431 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 18.380 2.365 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 17.191 2.696 -6.305 1.00 0.00 H new ATOM 619 N GLU A 391 11.235 2.509 -11.099 1.00 0.00 N ATOM 620 CA GLU A 391 10.455 3.224 -12.147 1.00 0.00 C ATOM 621 C GLU A 391 9.128 3.676 -11.547 1.00 0.00 C ATOM 622 O GLU A 391 8.659 4.771 -11.791 1.00 0.00 O ATOM 623 CB GLU A 391 10.195 2.286 -13.327 1.00 0.00 C ATOM 624 CG GLU A 391 9.423 3.033 -14.416 1.00 0.00 C ATOM 625 CD GLU A 391 10.311 4.131 -15.005 1.00 0.00 C ATOM 626 OE1 GLU A 391 11.520 3.984 -14.944 1.00 0.00 O ATOM 627 OE2 GLU A 391 9.766 5.100 -15.509 1.00 0.00 O ATOM 0 H GLU A 391 11.616 1.605 -11.377 1.00 0.00 H new ATOM 0 HA GLU A 391 11.016 4.089 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 391 11.140 1.916 -13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.627 1.417 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 391 9.115 2.340 -15.199 1.00 0.00 H new ATOM 0 HG3 GLU A 391 8.515 3.469 -14.000 1.00 0.00 H new ATOM 634 N LEU A 392 8.523 2.836 -10.761 1.00 0.00 N ATOM 635 CA LEU A 392 7.223 3.204 -10.134 1.00 0.00 C ATOM 636 C LEU A 392 7.482 4.030 -8.871 1.00 0.00 C ATOM 637 O LEU A 392 6.943 5.105 -8.700 1.00 0.00 O ATOM 638 CB LEU A 392 6.457 1.931 -9.766 1.00 0.00 C ATOM 639 CG LEU A 392 4.997 2.281 -9.468 1.00 0.00 C ATOM 640 CD1 LEU A 392 4.412 3.069 -10.642 1.00 0.00 C ATOM 641 CD2 LEU A 392 4.193 0.994 -9.267 1.00 0.00 C ATOM 0 H LEU A 392 8.872 1.907 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 392 6.633 3.792 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.510 1.213 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 392 6.913 1.458 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 392 4.947 2.886 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 392 3.372 3.319 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 392 4.983 3.986 -10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.463 2.464 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 392 3.153 1.244 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.243 0.389 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 392 4.609 0.432 -8.431 1.00 0.00 H new ATOM 653 N LEU A 393 8.306 3.537 -7.986 1.00 0.00 N ATOM 654 CA LEU A 393 8.603 4.294 -6.735 1.00 0.00 C ATOM 655 C LEU A 393 9.174 5.666 -7.089 1.00 0.00 C ATOM 656 O LEU A 393 9.018 6.623 -6.358 1.00 0.00 O ATOM 657 CB LEU A 393 9.630 3.527 -5.902 1.00 0.00 C ATOM 658 CG LEU A 393 9.780 4.199 -4.536 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.132 3.322 -3.464 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.265 4.380 -4.215 1.00 0.00 C ATOM 0 H LEU A 393 8.787 2.642 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 393 7.682 4.415 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.313 2.492 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.590 3.507 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 393 9.291 5.173 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.238 3.800 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.074 3.192 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.621 2.348 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.371 4.859 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 393 11.754 3.406 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.729 5.004 -4.979 1.00 0.00 H new ATOM 672 N GLU A 394 9.836 5.768 -8.206 1.00 0.00 N ATOM 673 CA GLU A 394 10.420 7.077 -8.605 1.00 0.00 C ATOM 674 C GLU A 394 9.395 7.857 -9.427 1.00 0.00 C ATOM 675 O GLU A 394 9.427 9.070 -9.491 1.00 0.00 O ATOM 676 CB GLU A 394 11.677 6.839 -9.443 1.00 0.00 C ATOM 677 CG GLU A 394 12.671 5.992 -8.644 1.00 0.00 C ATOM 678 CD GLU A 394 13.964 5.837 -9.445 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.949 6.153 -10.624 1.00 0.00 O ATOM 680 OE2 GLU A 394 14.948 5.405 -8.867 1.00 0.00 O ATOM 0 H GLU A 394 9.998 5.002 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 394 10.683 7.648 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.417 6.333 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 394 12.131 7.792 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 394 12.879 6.465 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.242 5.013 -8.431 1.00 0.00 H new ATOM 687 N ILE A 395 8.485 7.171 -10.062 1.00 0.00 N ATOM 688 CA ILE A 395 7.460 7.869 -10.884 1.00 0.00 C ATOM 689 C ILE A 395 6.934 9.102 -10.143 1.00 0.00 C ATOM 690 O ILE A 395 6.456 10.038 -10.753 1.00 0.00 O ATOM 691 CB ILE A 395 6.301 6.910 -11.172 1.00 0.00 C ATOM 692 CG1 ILE A 395 5.469 7.451 -12.337 1.00 0.00 C ATOM 693 CG2 ILE A 395 5.416 6.785 -9.930 1.00 0.00 C ATOM 694 CD1 ILE A 395 4.519 6.360 -12.832 1.00 0.00 C ATOM 0 H ILE A 395 8.408 6.154 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 395 7.914 8.190 -11.821 1.00 0.00 H new ATOM 0 HB ILE A 395 6.700 5.930 -11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 395 4.902 8.325 -12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.123 7.774 -13.147 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.592 6.102 -10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 395 6.007 6.399 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 395 5.018 7.765 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 395 3.925 6.743 -13.662 1.00 0.00 H new ATOM 0 HD12 ILE A 395 5.097 5.499 -13.167 1.00 0.00 H new ATOM 0 HD13 ILE A 395 3.856 6.059 -12.021 1.00 0.00 H new ATOM 706 N GLU A 396 7.013 9.122 -8.839 1.00 0.00 N ATOM 707 CA GLU A 396 6.507 10.308 -8.091 1.00 0.00 C ATOM 708 C GLU A 396 6.996 10.252 -6.637 1.00 0.00 C ATOM 709 O GLU A 396 8.170 10.406 -6.365 1.00 0.00 O ATOM 710 CB GLU A 396 4.978 10.316 -8.126 1.00 0.00 C ATOM 711 CG GLU A 396 4.460 11.599 -7.471 1.00 0.00 C ATOM 712 CD GLU A 396 2.935 11.542 -7.369 1.00 0.00 C ATOM 713 OE1 GLU A 396 2.371 10.536 -7.768 1.00 0.00 O ATOM 714 OE2 GLU A 396 2.356 12.505 -6.894 1.00 0.00 O ATOM 0 H GLU A 396 7.403 8.375 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 396 6.883 11.219 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 396 4.627 10.253 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.587 9.444 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 396 4.897 11.715 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 396 4.763 12.467 -8.057 1.00 0.00 H new ATOM 721 N GLY A 397 6.109 10.039 -5.700 1.00 0.00 N ATOM 722 CA GLY A 397 6.535 9.982 -4.273 1.00 0.00 C ATOM 723 C GLY A 397 5.875 8.785 -3.589 1.00 0.00 C ATOM 724 O GLY A 397 5.364 8.886 -2.492 1.00 0.00 O ATOM 0 H GLY A 397 5.111 9.903 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 397 7.620 9.897 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.257 10.904 -3.763 1.00 0.00 H new ATOM 728 N LEU A 398 5.888 7.653 -4.229 1.00 0.00 N ATOM 729 CA LEU A 398 5.265 6.443 -3.618 1.00 0.00 C ATOM 730 C LEU A 398 6.272 5.776 -2.678 1.00 0.00 C ATOM 731 O LEU A 398 7.468 5.835 -2.891 1.00 0.00 O ATOM 732 CB LEU A 398 4.858 5.463 -4.720 1.00 0.00 C ATOM 733 CG LEU A 398 3.866 6.145 -5.664 1.00 0.00 C ATOM 734 CD1 LEU A 398 3.597 5.239 -6.868 1.00 0.00 C ATOM 735 CD2 LEU A 398 2.553 6.409 -4.924 1.00 0.00 C ATOM 0 H LEU A 398 6.303 7.510 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 398 4.379 6.733 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 398 5.738 5.135 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.407 4.573 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 398 4.287 7.090 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 398 2.890 5.726 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 398 4.531 5.052 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.178 4.293 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 398 1.847 6.895 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.134 5.464 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 398 2.742 7.056 -4.068 1.00 0.00 H new ATOM 747 N ASP A 399 5.801 5.147 -1.635 1.00 0.00 N ATOM 748 CA ASP A 399 6.736 4.483 -0.681 1.00 0.00 C ATOM 749 C ASP A 399 7.165 3.124 -1.236 1.00 0.00 C ATOM 750 O ASP A 399 6.551 2.584 -2.134 1.00 0.00 O ATOM 751 CB ASP A 399 6.039 4.284 0.666 1.00 0.00 C ATOM 752 CG ASP A 399 5.418 5.607 1.120 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.891 6.642 0.681 1.00 0.00 O ATOM 754 OD2 ASP A 399 4.481 5.561 1.900 1.00 0.00 O ATOM 0 H ASP A 399 4.811 5.064 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 399 7.616 5.112 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 399 5.268 3.519 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.754 3.932 1.409 1.00 0.00 H new ATOM 759 N GLU A 400 8.220 2.571 -0.704 1.00 0.00 N ATOM 760 CA GLU A 400 8.704 1.248 -1.192 1.00 0.00 C ATOM 761 C GLU A 400 7.586 0.205 -1.088 1.00 0.00 C ATOM 762 O GLU A 400 7.352 -0.549 -2.011 1.00 0.00 O ATOM 763 CB GLU A 400 9.895 0.800 -0.343 1.00 0.00 C ATOM 764 CG GLU A 400 11.065 0.433 -1.260 1.00 0.00 C ATOM 765 CD GLU A 400 10.828 -0.957 -1.856 1.00 0.00 C ATOM 766 OE1 GLU A 400 9.691 -1.252 -2.186 1.00 0.00 O ATOM 767 OE2 GLU A 400 11.787 -1.700 -1.973 1.00 0.00 O ATOM 0 H GLU A 400 8.770 2.980 0.051 1.00 0.00 H new ATOM 0 HA GLU A 400 9.006 1.342 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.190 1.597 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.617 -0.057 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 400 11.162 1.171 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 400 11.999 0.445 -0.699 1.00 0.00 H new ATOM 774 N PRO A 401 6.888 0.155 0.058 1.00 0.00 N ATOM 775 CA PRO A 401 5.801 -0.809 0.273 1.00 0.00 C ATOM 776 C PRO A 401 4.590 -0.509 -0.613 1.00 0.00 C ATOM 777 O PRO A 401 4.033 -1.389 -1.238 1.00 0.00 O ATOM 778 CB PRO A 401 5.442 -0.625 1.748 1.00 0.00 C ATOM 779 CG PRO A 401 5.873 0.765 2.068 1.00 0.00 C ATOM 780 CD PRO A 401 7.093 1.027 1.230 1.00 0.00 C ATOM 0 HA PRO A 401 6.100 -1.827 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.373 -0.757 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.956 -1.354 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 401 5.083 1.480 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.100 0.868 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.168 2.076 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 401 8.010 0.776 1.763 1.00 0.00 H new ATOM 788 N THR A 402 4.181 0.729 -0.679 1.00 0.00 N ATOM 789 CA THR A 402 3.011 1.077 -1.534 1.00 0.00 C ATOM 790 C THR A 402 3.265 0.564 -2.952 1.00 0.00 C ATOM 791 O THR A 402 2.405 -0.027 -3.575 1.00 0.00 O ATOM 792 CB THR A 402 2.836 2.597 -1.566 1.00 0.00 C ATOM 793 OG1 THR A 402 2.700 3.083 -0.237 1.00 0.00 O ATOM 794 CG2 THR A 402 1.586 2.953 -2.374 1.00 0.00 C ATOM 0 H THR A 402 4.605 1.511 -0.180 1.00 0.00 H new ATOM 0 HA THR A 402 2.108 0.619 -1.130 1.00 0.00 H new ATOM 0 HB THR A 402 3.708 3.054 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.589 4.057 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.463 4.036 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.692 2.579 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.711 2.498 -1.910 1.00 0.00 H new ATOM 802 N VAL A 403 4.443 0.788 -3.463 1.00 0.00 N ATOM 803 CA VAL A 403 4.764 0.318 -4.839 1.00 0.00 C ATOM 804 C VAL A 403 4.835 -1.208 -4.850 1.00 0.00 C ATOM 805 O VAL A 403 4.470 -1.850 -5.814 1.00 0.00 O ATOM 806 CB VAL A 403 6.115 0.891 -5.266 1.00 0.00 C ATOM 807 CG1 VAL A 403 6.224 0.859 -6.790 1.00 0.00 C ATOM 808 CG2 VAL A 403 6.235 2.332 -4.774 1.00 0.00 C ATOM 0 H VAL A 403 5.200 1.278 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 403 3.990 0.652 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 403 6.917 0.293 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 403 7.188 1.268 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 403 6.140 -0.170 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 403 5.423 1.457 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 403 7.198 2.741 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 403 5.433 2.932 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 403 6.159 2.353 -3.687 1.00 0.00 H new ATOM 818 N GLU A 404 5.304 -1.792 -3.784 1.00 0.00 N ATOM 819 CA GLU A 404 5.400 -3.277 -3.729 1.00 0.00 C ATOM 820 C GLU A 404 3.994 -3.880 -3.777 1.00 0.00 C ATOM 821 O GLU A 404 3.755 -4.868 -4.443 1.00 0.00 O ATOM 822 CB GLU A 404 6.089 -3.697 -2.431 1.00 0.00 C ATOM 823 CG GLU A 404 6.356 -5.203 -2.460 1.00 0.00 C ATOM 824 CD GLU A 404 6.907 -5.649 -1.104 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.071 -4.799 -0.244 1.00 0.00 O ATOM 826 OE2 GLU A 404 7.156 -6.833 -0.948 1.00 0.00 O ATOM 0 H GLU A 404 5.625 -1.305 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 404 5.980 -3.635 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.026 -3.153 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 404 5.462 -3.444 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 404 5.436 -5.742 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.068 -5.442 -3.250 1.00 0.00 H new ATOM 833 N ALA A 405 3.063 -3.293 -3.077 1.00 0.00 N ATOM 834 CA ALA A 405 1.674 -3.833 -3.084 1.00 0.00 C ATOM 835 C ALA A 405 0.997 -3.477 -4.407 1.00 0.00 C ATOM 836 O ALA A 405 0.244 -4.253 -4.961 1.00 0.00 O ATOM 837 CB ALA A 405 0.885 -3.223 -1.925 1.00 0.00 C ATOM 0 H ALA A 405 3.204 -2.463 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 405 1.703 -4.917 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 405 -0.131 -3.617 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 405 1.369 -3.477 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 405 0.854 -2.139 -2.037 1.00 0.00 H new ATOM 843 N LEU A 406 1.259 -2.307 -4.916 1.00 0.00 N ATOM 844 CA LEU A 406 0.632 -1.896 -6.203 1.00 0.00 C ATOM 845 C LEU A 406 1.121 -2.818 -7.322 1.00 0.00 C ATOM 846 O LEU A 406 0.349 -3.281 -8.138 1.00 0.00 O ATOM 847 CB LEU A 406 1.022 -0.453 -6.522 1.00 0.00 C ATOM 848 CG LEU A 406 0.244 0.026 -7.747 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.194 0.355 -7.341 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.912 1.277 -8.319 1.00 0.00 C ATOM 0 H LEU A 406 1.881 -1.616 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.453 -1.967 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.809 0.190 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 406 2.094 -0.388 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 406 0.237 -0.759 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.750 0.697 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.670 -0.537 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.188 1.140 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.357 1.619 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.920 2.063 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.936 1.042 -8.609 1.00 0.00 H new ATOM 862 N ARG A 407 2.396 -3.089 -7.367 1.00 0.00 N ATOM 863 CA ARG A 407 2.929 -3.983 -8.432 1.00 0.00 C ATOM 864 C ARG A 407 2.419 -5.406 -8.202 1.00 0.00 C ATOM 865 O ARG A 407 1.863 -6.027 -9.087 1.00 0.00 O ATOM 866 CB ARG A 407 4.457 -3.978 -8.384 1.00 0.00 C ATOM 867 CG ARG A 407 4.973 -2.570 -8.681 1.00 0.00 C ATOM 868 CD ARG A 407 6.501 -2.568 -8.631 1.00 0.00 C ATOM 869 NE ARG A 407 6.955 -3.033 -7.289 1.00 0.00 N ATOM 870 CZ ARG A 407 7.462 -4.228 -7.147 1.00 0.00 C ATOM 871 NH1 ARG A 407 7.210 -5.154 -8.031 1.00 0.00 N ATOM 872 NH2 ARG A 407 8.218 -4.499 -6.118 1.00 0.00 N ATOM 0 H ARG A 407 3.091 -2.730 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 407 2.594 -3.628 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.801 -4.303 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 407 4.856 -4.684 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.630 -2.245 -9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.573 -1.863 -7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 407 6.902 -3.219 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.881 -1.565 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 407 6.869 -2.417 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 407 6.617 -4.945 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 407 7.606 -6.087 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 407 8.413 -3.777 -5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 407 8.614 -5.433 -6.008 1.00 0.00 H new ATOM 886 N GLU A 408 2.603 -5.926 -7.019 1.00 0.00 N ATOM 887 CA GLU A 408 2.127 -7.308 -6.731 1.00 0.00 C ATOM 888 C GLU A 408 0.727 -7.491 -7.319 1.00 0.00 C ATOM 889 O GLU A 408 0.440 -8.473 -7.973 1.00 0.00 O ATOM 890 CB GLU A 408 2.076 -7.527 -5.218 1.00 0.00 C ATOM 891 CG GLU A 408 1.735 -8.990 -4.928 1.00 0.00 C ATOM 892 CD GLU A 408 1.621 -9.197 -3.416 1.00 0.00 C ATOM 893 OE1 GLU A 408 1.783 -8.228 -2.691 1.00 0.00 O ATOM 894 OE2 GLU A 408 1.373 -10.320 -3.008 1.00 0.00 O ATOM 0 H GLU A 408 3.062 -5.454 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 408 2.810 -8.030 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.036 -7.270 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.329 -6.872 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 408 0.797 -9.259 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 408 2.506 -9.642 -5.338 1.00 0.00 H new ATOM 901 N ARG A 409 -0.146 -6.548 -7.093 1.00 0.00 N ATOM 902 CA ARG A 409 -1.526 -6.663 -7.641 1.00 0.00 C ATOM 903 C ARG A 409 -1.475 -6.555 -9.165 1.00 0.00 C ATOM 904 O ARG A 409 -2.165 -7.264 -9.872 1.00 0.00 O ATOM 905 CB ARG A 409 -2.393 -5.534 -7.082 1.00 0.00 C ATOM 906 CG ARG A 409 -2.572 -5.720 -5.575 1.00 0.00 C ATOM 907 CD ARG A 409 -3.473 -4.610 -5.030 1.00 0.00 C ATOM 908 NE ARG A 409 -3.402 -4.597 -3.542 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.520 -5.713 -2.875 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.604 -6.430 -2.989 1.00 0.00 N ATOM 911 NH2 ARG A 409 -2.552 -6.111 -2.094 1.00 0.00 N ATOM 0 H ARG A 409 0.037 -5.703 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.953 -7.624 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.928 -4.570 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.365 -5.530 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -3.012 -6.695 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.603 -5.695 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -3.160 -3.645 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.501 -4.770 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 409 -3.261 -3.717 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -5.360 -6.119 -3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -4.696 -7.302 -2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -1.705 -5.550 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -2.643 -6.983 -1.572 1.00 0.00 H new ATOM 925 N ALA A 410 -0.661 -5.673 -9.677 1.00 0.00 N ATOM 926 CA ALA A 410 -0.564 -5.520 -11.156 1.00 0.00 C ATOM 927 C ALA A 410 -0.259 -6.879 -11.786 1.00 0.00 C ATOM 928 O ALA A 410 -0.945 -7.327 -12.683 1.00 0.00 O ATOM 929 CB ALA A 410 0.558 -4.536 -11.493 1.00 0.00 C ATOM 0 H ALA A 410 -0.059 -5.052 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.508 -5.141 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.630 -4.423 -12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.341 -3.568 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.503 -4.915 -11.104 1.00 0.00 H new ATOM 935 N LYS A 411 0.763 -7.542 -11.321 1.00 0.00 N ATOM 936 CA LYS A 411 1.107 -8.874 -11.891 1.00 0.00 C ATOM 937 C LYS A 411 -0.010 -9.865 -11.567 1.00 0.00 C ATOM 938 O LYS A 411 -0.649 -10.407 -12.447 1.00 0.00 O ATOM 939 CB LYS A 411 2.418 -9.367 -11.280 1.00 0.00 C ATOM 940 CG LYS A 411 3.500 -9.399 -12.360 1.00 0.00 C ATOM 941 CD LYS A 411 4.205 -10.755 -12.333 1.00 0.00 C ATOM 942 CE LYS A 411 5.488 -10.675 -13.161 1.00 0.00 C ATOM 943 NZ LYS A 411 6.641 -11.124 -12.332 1.00 0.00 N ATOM 0 H LYS A 411 1.375 -7.219 -10.571 1.00 0.00 H new ATOM 0 HA LYS A 411 1.220 -8.791 -12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.722 -8.711 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.283 -10.362 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.056 -9.227 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.221 -8.599 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 411 4.438 -11.036 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 411 3.548 -11.527 -12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 411 5.400 -11.300 -14.050 1.00 0.00 H new ATOM 0 HE3 LYS A 411 5.649 -9.653 -13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 7.514 -11.070 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 6.728 -10.510 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 6.487 -12.106 -12.025 1.00 0.00 H new ATOM 957 N ASN A 412 -0.255 -10.103 -10.307 1.00 0.00 N ATOM 958 CA ASN A 412 -1.332 -11.058 -9.925 1.00 0.00 C ATOM 959 C ASN A 412 -2.598 -10.733 -10.719 1.00 0.00 C ATOM 960 O ASN A 412 -3.307 -11.614 -11.164 1.00 0.00 O ATOM 961 CB ASN A 412 -1.621 -10.929 -8.429 1.00 0.00 C ATOM 962 CG ASN A 412 -0.392 -11.372 -7.632 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.502 -11.996 -8.169 1.00 0.00 O ATOM 964 ND2 ASN A 412 -0.310 -11.076 -6.364 1.00 0.00 N ATOM 0 H ASN A 412 0.245 -9.677 -9.526 1.00 0.00 H new ATOM 0 HA ASN A 412 -1.013 -12.077 -10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -1.874 -9.897 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.482 -11.541 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 412 0.504 -11.368 -5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -1.060 -10.552 -5.913 1.00 0.00 H new ATOM 971 N ALA A 413 -2.887 -9.475 -10.904 1.00 0.00 N ATOM 972 CA ALA A 413 -4.104 -9.097 -11.673 1.00 0.00 C ATOM 973 C ALA A 413 -3.920 -9.496 -13.138 1.00 0.00 C ATOM 974 O ALA A 413 -4.830 -9.982 -13.778 1.00 0.00 O ATOM 975 CB ALA A 413 -4.321 -7.585 -11.580 1.00 0.00 C ATOM 0 H ALA A 413 -2.333 -8.693 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 413 -4.971 -9.612 -11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.213 -7.310 -12.144 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.449 -7.299 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.456 -7.067 -11.994 1.00 0.00 H new ATOM 981 N LEU A 414 -2.745 -9.300 -13.673 1.00 0.00 N ATOM 982 CA LEU A 414 -2.504 -9.673 -15.095 1.00 0.00 C ATOM 983 C LEU A 414 -2.591 -11.191 -15.242 1.00 0.00 C ATOM 984 O LEU A 414 -3.178 -11.701 -16.176 1.00 0.00 O ATOM 985 CB LEU A 414 -1.114 -9.195 -15.522 1.00 0.00 C ATOM 986 CG LEU A 414 -0.923 -9.442 -17.021 1.00 0.00 C ATOM 987 CD1 LEU A 414 -2.188 -9.026 -17.777 1.00 0.00 C ATOM 988 CD2 LEU A 414 0.264 -8.619 -17.525 1.00 0.00 C ATOM 0 H LEU A 414 -1.943 -8.898 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.257 -9.202 -15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -1.000 -8.134 -15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.347 -9.723 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.732 -10.502 -17.191 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.049 -9.203 -18.844 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -3.035 -9.612 -17.419 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.382 -7.967 -17.607 1.00 0.00 H new ATOM 0 HD21 LEU A 414 0.401 -8.794 -18.592 1.00 0.00 H new ATOM 0 HD22 LEU A 414 0.072 -7.560 -17.353 1.00 0.00 H new ATOM 0 HD23 LEU A 414 1.166 -8.916 -16.990 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.017 -11.923 -14.325 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.077 -13.409 -14.419 1.00 0.00 C ATOM 1002 C ALA A 415 -3.520 -13.865 -14.206 1.00 0.00 C ATOM 1003 O ALA A 415 -3.968 -14.833 -14.789 1.00 0.00 O ATOM 1004 CB ALA A 415 -1.182 -14.027 -13.343 1.00 0.00 C ATOM 0 H ALA A 415 -1.511 -11.557 -13.518 1.00 0.00 H new ATOM 0 HA ALA A 415 -1.731 -13.729 -15.402 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -1.227 -15.114 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.154 -13.696 -13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.527 -13.712 -12.358 1.00 0.00 H new ATOM 1010 N THR A 416 -4.254 -13.170 -13.380 1.00 0.00 N ATOM 1011 CA THR A 416 -5.671 -13.560 -13.134 1.00 0.00 C ATOM 1012 C THR A 416 -6.430 -13.555 -14.461 1.00 0.00 C ATOM 1013 O THR A 416 -7.215 -14.440 -14.741 1.00 0.00 O ATOM 1014 CB THR A 416 -6.314 -12.558 -12.172 1.00 0.00 C ATOM 1015 OG1 THR A 416 -5.567 -12.516 -10.964 1.00 0.00 O ATOM 1016 CG2 THR A 416 -7.751 -12.985 -11.872 1.00 0.00 C ATOM 0 H THR A 416 -3.934 -12.350 -12.865 1.00 0.00 H new ATOM 0 HA THR A 416 -5.708 -14.557 -12.695 1.00 0.00 H new ATOM 0 HB THR A 416 -6.320 -11.569 -12.629 1.00 0.00 H new ATOM 0 HG1 THR A 416 -4.935 -11.767 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 416 -8.207 -12.271 -11.187 1.00 0.00 H new ATOM 0 HG22 THR A 416 -8.323 -13.015 -12.799 1.00 0.00 H new ATOM 0 HG23 THR A 416 -7.749 -13.975 -11.415 1.00 0.00 H new