USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 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 430 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 437 SER OG : rot 180:sc= -3.2! USER MOD Set 2.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 390 TYR OH : rot -142:sc= 0.485 USER MOD Set 3.2: A 402 HIS : no HE2:sc=-0.00934 K(o=0.48,f=-1.6) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 TYR OH : rot -125:sc= 0.148 USER MOD Single : A 396 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 0.489 K(o=0.49,f=-8.3!) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 401 ASN : amide:sc= 0.691 K(o=0.69,f=-6.6!) USER MOD Single : A 405 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.088) USER MOD Single : A 408 GLN : amide:sc= -3.41! C(o=-3.4!,f=-3!) USER MOD Single : A 410 LYS NZ :NH3+ -174:sc=-0.00462 (180deg=-0.067) USER MOD Single : A 411 SER OG : rot 180:sc= -0.229 USER MOD Single : A 417 HIS :FLIP no HD1:sc= -5.98! C(o=-7.4!,f=-6!) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 137:sc= -0.0615 (180deg=-0.386) USER MOD Single : A 426 GLN : amide:sc= 0.995 K(o=1,f=0) USER MOD Single : A 432 MET CE :methyl -158:sc= -0.218 (180deg=-0.94) USER MOD Single : A 434 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 159:sc= -0.0578 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.861 0.986 -3.842 1.00 0.00 N ATOM 21 CA ARG A 387 14.451 0.734 -4.044 1.00 0.00 C ATOM 22 C ARG A 387 13.636 1.187 -2.846 1.00 0.00 C ATOM 23 O ARG A 387 13.224 0.380 -2.017 1.00 0.00 O ATOM 24 CB ARG A 387 14.208 -0.748 -4.322 1.00 0.00 C ATOM 25 CG ARG A 387 14.658 -1.186 -5.705 1.00 0.00 C ATOM 26 CD ARG A 387 13.914 -0.418 -6.782 1.00 0.00 C ATOM 27 NE ARG A 387 14.369 -0.756 -8.129 1.00 0.00 N ATOM 28 CZ ARG A 387 14.785 0.147 -9.013 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.884 1.423 -8.657 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.110 -0.222 -10.249 1.00 0.00 N ATOM 0 HA ARG A 387 14.128 1.311 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.733 -1.341 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.145 -0.961 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.731 -1.024 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.483 -2.255 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 387 12.847 -0.626 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.044 0.651 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 387 14.368 -1.738 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.641 1.708 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 387 15.203 2.118 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.041 -1.202 -10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.428 0.475 -10.922 1.00 0.00 H new ATOM 44 N LYS A 388 13.427 2.486 -2.745 1.00 0.00 N ATOM 45 CA LYS A 388 12.501 3.012 -1.765 1.00 0.00 C ATOM 46 C LYS A 388 11.125 3.076 -2.396 1.00 0.00 C ATOM 47 O LYS A 388 10.938 3.669 -3.462 1.00 0.00 O ATOM 48 CB LYS A 388 12.908 4.391 -1.269 1.00 0.00 C ATOM 49 CG LYS A 388 14.338 4.470 -0.762 1.00 0.00 C ATOM 50 CD LYS A 388 14.620 5.816 -0.120 1.00 0.00 C ATOM 51 CE LYS A 388 16.061 5.915 0.357 1.00 0.00 C ATOM 52 NZ LYS A 388 16.341 7.215 1.022 1.00 0.00 N ATOM 0 H LYS A 388 13.883 3.190 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 388 12.502 2.351 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 388 12.781 5.109 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.233 4.691 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.514 3.675 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.029 4.307 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.417 6.612 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 388 13.945 5.967 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.270 5.101 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.733 5.790 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.334 7.240 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.167 7.992 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.718 7.324 1.848 1.00 0.00 H new ATOM 66 N CYS A 389 10.178 2.476 -1.728 1.00 0.00 N ATOM 67 CA CYS A 389 8.852 2.284 -2.277 1.00 0.00 C ATOM 68 C CYS A 389 7.964 3.493 -2.041 1.00 0.00 C ATOM 69 O CYS A 389 7.569 3.789 -0.912 1.00 0.00 O ATOM 70 CB CYS A 389 8.221 1.021 -1.691 1.00 0.00 C ATOM 71 SG CYS A 389 8.841 -0.522 -2.438 1.00 0.00 S ATOM 0 H CYS A 389 10.298 2.104 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 389 8.948 2.163 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.409 0.996 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.140 1.070 -1.824 1.00 0.00 H new ATOM 76 N TYR A 390 7.688 4.202 -3.125 1.00 0.00 N ATOM 77 CA TYR A 390 6.764 5.323 -3.117 1.00 0.00 C ATOM 78 C TYR A 390 5.346 4.834 -2.841 1.00 0.00 C ATOM 79 O TYR A 390 4.864 3.913 -3.500 1.00 0.00 O ATOM 80 CB TYR A 390 6.827 6.031 -4.479 1.00 0.00 C ATOM 81 CG TYR A 390 5.787 7.112 -4.688 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.018 8.417 -4.277 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.574 6.826 -5.306 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.073 9.407 -4.476 1.00 0.00 C ATOM 85 CE2 TYR A 390 3.625 7.807 -5.507 1.00 0.00 C ATOM 86 CZ TYR A 390 3.877 9.097 -5.090 1.00 0.00 C ATOM 87 OH TYR A 390 2.928 10.078 -5.282 1.00 0.00 O ATOM 0 H TYR A 390 8.101 4.014 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 390 7.044 6.022 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 390 7.817 6.473 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.716 5.284 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 390 6.952 8.664 -3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.371 5.817 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.270 10.418 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 390 2.689 7.566 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 390 2.035 9.703 -5.132 1.00 0.00 H new ATOM 97 N PHE A 391 4.695 5.427 -1.852 1.00 0.00 N ATOM 98 CA PHE A 391 3.309 5.102 -1.557 1.00 0.00 C ATOM 99 C PHE A 391 2.386 5.881 -2.495 1.00 0.00 C ATOM 100 O PHE A 391 2.354 7.119 -2.466 1.00 0.00 O ATOM 101 CB PHE A 391 2.988 5.417 -0.095 1.00 0.00 C ATOM 102 CG PHE A 391 1.702 4.803 0.388 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.682 3.506 0.875 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.516 5.521 0.353 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.505 2.937 1.320 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.665 4.956 0.796 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.671 3.663 1.281 1.00 0.00 C ATOM 0 H PHE A 391 5.104 6.134 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 391 3.150 4.035 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.807 5.064 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.934 6.498 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.597 2.934 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.515 6.533 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.503 1.925 1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.582 5.525 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.592 3.220 1.629 1.00 0.00 H new ATOM 117 N PRO A 392 1.635 5.158 -3.339 1.00 0.00 N ATOM 118 CA PRO A 392 0.779 5.746 -4.368 1.00 0.00 C ATOM 119 C PRO A 392 -0.557 6.238 -3.826 1.00 0.00 C ATOM 120 O PRO A 392 -0.817 6.202 -2.623 1.00 0.00 O ATOM 121 CB PRO A 392 0.557 4.597 -5.362 1.00 0.00 C ATOM 122 CG PRO A 392 1.121 3.357 -4.737 1.00 0.00 C ATOM 123 CD PRO A 392 1.550 3.696 -3.336 1.00 0.00 C ATOM 0 HA PRO A 392 1.244 6.628 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.505 4.472 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.050 4.808 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.374 2.563 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.968 2.990 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 392 0.830 3.339 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.509 3.240 -3.090 1.00 0.00 H new ATOM 131 N TYR A 393 -1.386 6.723 -4.733 1.00 0.00 N ATOM 132 CA TYR A 393 -2.696 7.234 -4.392 1.00 0.00 C ATOM 133 C TYR A 393 -3.771 6.238 -4.820 1.00 0.00 C ATOM 134 O TYR A 393 -4.048 6.072 -6.009 1.00 0.00 O ATOM 135 CB TYR A 393 -2.895 8.594 -5.064 1.00 0.00 C ATOM 136 CG TYR A 393 -4.238 9.231 -4.791 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.513 9.815 -3.561 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.232 9.249 -5.762 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.738 10.396 -3.304 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.459 9.830 -5.514 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.708 10.400 -4.282 1.00 0.00 C ATOM 142 OH TYR A 393 -7.934 10.973 -4.023 1.00 0.00 O ATOM 0 H TYR A 393 -1.167 6.772 -5.728 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.776 7.366 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.110 9.271 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.774 8.475 -6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.755 9.814 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -5.041 8.801 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.935 10.845 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.220 9.839 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.644 10.322 -4.202 1.00 0.00 H new ATOM 152 N LEU A 394 -4.369 5.574 -3.838 1.00 0.00 N ATOM 153 CA LEU A 394 -5.304 4.479 -4.088 1.00 0.00 C ATOM 154 C LEU A 394 -6.725 4.958 -4.390 1.00 0.00 C ATOM 155 O LEU A 394 -7.670 4.560 -3.705 1.00 0.00 O ATOM 156 CB LEU A 394 -5.334 3.524 -2.887 1.00 0.00 C ATOM 157 CG LEU A 394 -4.182 2.515 -2.803 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.834 3.203 -2.627 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.430 1.548 -1.666 1.00 0.00 C ATOM 0 H LEU A 394 -4.222 5.777 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.941 3.962 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.337 4.120 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.274 2.972 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.147 1.969 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.046 2.452 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.648 3.862 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.842 3.788 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.609 0.833 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.496 2.099 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.364 1.014 -1.840 1.00 0.00 H new ATOM 171 N GLU A 395 -6.864 5.803 -5.412 1.00 0.00 N ATOM 172 CA GLU A 395 -8.171 6.230 -5.927 1.00 0.00 C ATOM 173 C GLU A 395 -8.965 7.026 -4.880 1.00 0.00 C ATOM 174 O GLU A 395 -8.940 8.256 -4.876 1.00 0.00 O ATOM 175 CB GLU A 395 -8.961 5.002 -6.408 1.00 0.00 C ATOM 176 CG GLU A 395 -9.876 5.262 -7.594 1.00 0.00 C ATOM 177 CD GLU A 395 -11.237 5.787 -7.193 1.00 0.00 C ATOM 178 OE1 GLU A 395 -12.122 4.967 -6.859 1.00 0.00 O ATOM 179 OE2 GLU A 395 -11.431 7.015 -7.218 1.00 0.00 O ATOM 0 H GLU A 395 -6.073 6.213 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.006 6.900 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.256 4.215 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.560 4.625 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.399 5.979 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.002 4.337 -8.157 1.00 0.00 H new ATOM 186 N ASN A 396 -9.655 6.321 -3.991 1.00 0.00 N ATOM 187 CA ASN A 396 -10.421 6.961 -2.922 1.00 0.00 C ATOM 188 C ASN A 396 -9.968 6.440 -1.570 1.00 0.00 C ATOM 189 O ASN A 396 -10.671 6.582 -0.573 1.00 0.00 O ATOM 190 CB ASN A 396 -11.925 6.702 -3.073 1.00 0.00 C ATOM 191 CG ASN A 396 -12.543 7.420 -4.252 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.132 8.523 -4.611 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.544 6.797 -4.857 1.00 0.00 N ATOM 0 H ASN A 396 -9.701 5.302 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.242 8.034 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.092 5.630 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.433 7.013 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -14.007 7.231 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.851 5.883 -4.525 1.00 0.00 H new ATOM 200 N GLY A 397 -8.806 5.803 -1.549 1.00 0.00 N ATOM 201 CA GLY A 397 -8.282 5.255 -0.316 1.00 0.00 C ATOM 202 C GLY A 397 -7.779 6.339 0.618 1.00 0.00 C ATOM 203 O GLY A 397 -7.682 7.504 0.229 1.00 0.00 O ATOM 0 H GLY A 397 -8.215 5.656 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.060 4.678 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.469 4.565 -0.542 1.00 0.00 H new ATOM 207 N TYR A 398 -7.454 5.961 1.841 1.00 0.00 N ATOM 208 CA TYR A 398 -6.954 6.910 2.824 1.00 0.00 C ATOM 209 C TYR A 398 -5.435 6.929 2.798 1.00 0.00 C ATOM 210 O TYR A 398 -4.765 6.306 3.626 1.00 0.00 O ATOM 211 CB TYR A 398 -7.466 6.550 4.216 1.00 0.00 C ATOM 212 CG TYR A 398 -8.972 6.455 4.290 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.758 7.597 4.262 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.603 5.222 4.392 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.136 7.514 4.336 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.977 5.129 4.464 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.741 6.277 4.437 1.00 0.00 C ATOM 218 OH TYR A 398 -13.113 6.190 4.519 1.00 0.00 O ATOM 0 H TYR A 398 -7.527 5.002 2.180 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.319 7.906 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.033 5.597 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.120 7.299 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.287 8.565 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.008 4.321 4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.736 8.412 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.452 4.162 4.541 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.378 5.249 4.584 1.00 0.00 H new ATOM 228 N ASN A 399 -4.900 7.651 1.835 1.00 0.00 N ATOM 229 CA ASN A 399 -3.465 7.664 1.588 1.00 0.00 C ATOM 230 C ASN A 399 -2.793 8.785 2.362 1.00 0.00 C ATOM 231 O ASN A 399 -2.292 9.744 1.774 1.00 0.00 O ATOM 232 CB ASN A 399 -3.164 7.840 0.101 1.00 0.00 C ATOM 233 CG ASN A 399 -4.084 7.041 -0.793 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.815 5.889 -1.117 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.180 7.651 -1.202 1.00 0.00 N ATOM 0 H ASN A 399 -5.439 8.243 1.203 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.072 6.704 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.245 8.896 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.133 7.543 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.839 7.163 -1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.369 8.610 -0.911 1.00 0.00 H new ATOM 242 N GLN A 400 -2.775 8.662 3.677 1.00 0.00 N ATOM 243 CA GLN A 400 -2.097 9.636 4.520 1.00 0.00 C ATOM 244 C GLN A 400 -0.584 9.505 4.389 1.00 0.00 C ATOM 245 O GLN A 400 0.171 10.327 4.899 1.00 0.00 O ATOM 246 CB GLN A 400 -2.528 9.473 5.977 1.00 0.00 C ATOM 247 CG GLN A 400 -3.918 10.018 6.256 1.00 0.00 C ATOM 248 CD GLN A 400 -4.350 9.836 7.699 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.997 8.855 8.348 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.106 10.794 8.215 1.00 0.00 N ATOM 0 H GLN A 400 -3.221 7.899 4.186 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.381 10.634 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.500 8.416 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.810 9.981 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -3.943 11.079 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.635 9.520 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.378 11.593 7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.416 10.732 9.185 1.00 0.00 H new ATOM 259 N ASN A 401 -0.150 8.464 3.695 1.00 0.00 N ATOM 260 CA ASN A 401 1.264 8.255 3.436 1.00 0.00 C ATOM 261 C ASN A 401 1.581 8.458 1.960 1.00 0.00 C ATOM 262 O ASN A 401 2.670 8.121 1.499 1.00 0.00 O ATOM 263 CB ASN A 401 1.692 6.851 3.875 1.00 0.00 C ATOM 264 CG ASN A 401 1.831 6.724 5.379 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.229 7.669 6.057 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.501 5.558 5.911 1.00 0.00 N ATOM 0 H ASN A 401 -0.761 7.749 3.300 1.00 0.00 H new ATOM 0 HA ASN A 401 1.823 8.990 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.961 6.125 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.643 6.602 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 401 1.573 5.419 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.175 4.799 5.313 1.00 0.00 H new ATOM 273 N HIS A 402 0.625 9.010 1.217 1.00 0.00 N ATOM 274 CA HIS A 402 0.815 9.252 -0.208 1.00 0.00 C ATOM 275 C HIS A 402 1.963 10.225 -0.443 1.00 0.00 C ATOM 276 O HIS A 402 1.986 11.327 0.105 1.00 0.00 O ATOM 277 CB HIS A 402 -0.473 9.788 -0.846 1.00 0.00 C ATOM 278 CG HIS A 402 -0.311 10.214 -2.275 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.708 11.444 -2.738 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.223 9.569 -3.338 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.420 11.542 -4.022 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.148 10.417 -4.413 1.00 0.00 N ATOM 0 H HIS A 402 -0.285 9.297 1.578 1.00 0.00 H new ATOM 0 HA HIS A 402 1.065 8.301 -0.679 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.242 9.017 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.830 10.636 -0.262 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -1.156 12.169 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.633 8.570 -3.339 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.616 12.400 -4.648 1.00 0.00 H new ATOM 291 N GLY A 403 2.910 9.811 -1.267 1.00 0.00 N ATOM 292 CA GLY A 403 4.039 10.658 -1.572 1.00 0.00 C ATOM 293 C GLY A 403 5.236 10.341 -0.703 1.00 0.00 C ATOM 294 O GLY A 403 6.279 10.984 -0.807 1.00 0.00 O ATOM 0 H GLY A 403 2.916 8.902 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.310 10.537 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.757 11.702 -1.434 1.00 0.00 H new ATOM 298 N ARG A 404 5.086 9.352 0.164 1.00 0.00 N ATOM 299 CA ARG A 404 6.157 8.965 1.063 1.00 0.00 C ATOM 300 C ARG A 404 6.848 7.708 0.563 1.00 0.00 C ATOM 301 O ARG A 404 6.203 6.785 0.067 1.00 0.00 O ATOM 302 CB ARG A 404 5.611 8.776 2.479 1.00 0.00 C ATOM 303 CG ARG A 404 5.115 10.079 3.082 1.00 0.00 C ATOM 304 CD ARG A 404 4.432 9.880 4.422 1.00 0.00 C ATOM 305 NE ARG A 404 4.000 11.161 4.980 1.00 0.00 N ATOM 306 CZ ARG A 404 3.291 11.299 6.100 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.859 10.238 6.765 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.999 12.511 6.540 1.00 0.00 N ATOM 0 H ARG A 404 4.232 8.804 0.263 1.00 0.00 H new ATOM 0 HA ARG A 404 6.901 9.761 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.795 8.054 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.391 8.357 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.956 10.761 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.419 10.553 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.572 9.222 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.116 9.389 5.114 1.00 0.00 H new ATOM 0 HE ARG A 404 4.260 12.009 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.068 9.301 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.317 10.358 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.316 13.331 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.457 12.626 7.396 1.00 0.00 H new ATOM 322 N LYS A 405 8.165 7.702 0.669 1.00 0.00 N ATOM 323 CA LYS A 405 8.974 6.589 0.204 1.00 0.00 C ATOM 324 C LYS A 405 9.465 5.746 1.372 1.00 0.00 C ATOM 325 O LYS A 405 10.278 6.199 2.183 1.00 0.00 O ATOM 326 CB LYS A 405 10.171 7.108 -0.588 1.00 0.00 C ATOM 327 CG LYS A 405 9.840 7.536 -2.007 1.00 0.00 C ATOM 328 CD LYS A 405 11.003 8.286 -2.644 1.00 0.00 C ATOM 329 CE LYS A 405 10.854 8.388 -4.152 1.00 0.00 C ATOM 330 NZ LYS A 405 11.106 7.086 -4.822 1.00 0.00 N ATOM 0 H LYS A 405 8.703 8.466 1.079 1.00 0.00 H new ATOM 0 HA LYS A 405 8.353 5.965 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.604 7.955 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.934 6.330 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.598 6.659 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.955 8.172 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.067 9.287 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.937 7.778 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.849 8.733 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.549 9.135 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.179 7.233 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.994 6.679 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.321 6.434 -4.620 1.00 0.00 H new ATOM 344 N PHE A 406 8.967 4.526 1.449 1.00 0.00 N ATOM 345 CA PHE A 406 9.399 3.586 2.468 1.00 0.00 C ATOM 346 C PHE A 406 10.460 2.666 1.888 1.00 0.00 C ATOM 347 O PHE A 406 10.221 1.976 0.899 1.00 0.00 O ATOM 348 CB PHE A 406 8.226 2.757 2.985 1.00 0.00 C ATOM 349 CG PHE A 406 7.139 3.567 3.641 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.160 4.192 2.883 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.098 3.701 5.020 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.164 4.934 3.487 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.103 4.442 5.630 1.00 0.00 C ATOM 354 CZ PHE A 406 5.135 5.060 4.863 1.00 0.00 C ATOM 0 H PHE A 406 8.258 4.160 0.813 1.00 0.00 H new ATOM 0 HA PHE A 406 9.812 4.149 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 406 7.796 2.199 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.600 2.025 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.177 4.097 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.853 3.221 5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.408 5.416 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.083 4.538 6.706 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.357 5.640 5.337 1.00 0.00 H new ATOM 364 N VAL A 407 11.626 2.671 2.506 1.00 0.00 N ATOM 365 CA VAL A 407 12.772 1.911 2.016 1.00 0.00 C ATOM 366 C VAL A 407 12.480 0.408 2.015 1.00 0.00 C ATOM 367 O VAL A 407 11.690 -0.082 2.828 1.00 0.00 O ATOM 368 CB VAL A 407 14.034 2.209 2.860 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.870 1.717 4.288 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.280 1.610 2.225 1.00 0.00 C ATOM 0 H VAL A 407 11.810 3.198 3.359 1.00 0.00 H new ATOM 0 HA VAL A 407 12.959 2.224 0.989 1.00 0.00 H new ATOM 0 HB VAL A 407 14.158 3.292 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.773 1.941 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.018 2.216 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.701 0.640 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.149 1.838 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.164 0.529 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.421 2.034 1.231 1.00 0.00 H new ATOM 380 N GLN A 408 13.105 -0.298 1.077 1.00 0.00 N ATOM 381 CA GLN A 408 12.950 -1.736 0.927 1.00 0.00 C ATOM 382 C GLN A 408 13.110 -2.454 2.266 1.00 0.00 C ATOM 383 O GLN A 408 14.086 -2.233 2.990 1.00 0.00 O ATOM 384 CB GLN A 408 13.999 -2.232 -0.058 1.00 0.00 C ATOM 385 CG GLN A 408 13.736 -3.611 -0.616 1.00 0.00 C ATOM 386 CD GLN A 408 14.877 -4.077 -1.492 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.801 -4.740 -1.029 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.828 -3.720 -2.762 1.00 0.00 N ATOM 0 H GLN A 408 13.739 0.119 0.395 1.00 0.00 H new ATOM 0 HA GLN A 408 11.948 -1.951 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.064 -1.526 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.970 -2.234 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.593 -4.316 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.812 -3.601 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.042 -3.169 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.576 -3.995 -3.398 1.00 0.00 H new ATOM 397 N GLY A 409 12.147 -3.305 2.589 1.00 0.00 N ATOM 398 CA GLY A 409 12.182 -4.032 3.841 1.00 0.00 C ATOM 399 C GLY A 409 11.106 -3.579 4.810 1.00 0.00 C ATOM 400 O GLY A 409 10.712 -4.328 5.706 1.00 0.00 O ATOM 0 H GLY A 409 11.337 -3.506 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.061 -5.097 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.160 -3.903 4.304 1.00 0.00 H new ATOM 404 N LYS A 410 10.624 -2.353 4.637 1.00 0.00 N ATOM 405 CA LYS A 410 9.613 -1.803 5.523 1.00 0.00 C ATOM 406 C LYS A 410 8.216 -2.237 5.109 1.00 0.00 C ATOM 407 O LYS A 410 8.010 -2.741 4.003 1.00 0.00 O ATOM 408 CB LYS A 410 9.690 -0.279 5.544 1.00 0.00 C ATOM 409 CG LYS A 410 10.863 0.273 6.337 1.00 0.00 C ATOM 410 CD LYS A 410 10.723 1.773 6.545 1.00 0.00 C ATOM 411 CE LYS A 410 11.929 2.370 7.263 1.00 0.00 C ATOM 412 NZ LYS A 410 12.136 1.786 8.616 1.00 0.00 N ATOM 0 H LYS A 410 10.919 -1.724 3.890 1.00 0.00 H new ATOM 0 HA LYS A 410 9.811 -2.188 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.755 0.085 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.764 0.115 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.921 -0.228 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.794 0.061 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.599 2.262 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.821 1.975 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.823 2.208 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.797 3.448 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.903 2.295 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.260 1.873 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.390 0.782 8.525 1.00 0.00 H new ATOM 426 N SER A 411 7.265 -2.023 6.006 1.00 0.00 N ATOM 427 CA SER A 411 5.877 -2.388 5.777 1.00 0.00 C ATOM 428 C SER A 411 4.964 -1.316 6.352 1.00 0.00 C ATOM 429 O SER A 411 5.408 -0.459 7.121 1.00 0.00 O ATOM 430 CB SER A 411 5.575 -3.745 6.421 1.00 0.00 C ATOM 431 OG SER A 411 4.222 -4.133 6.240 1.00 0.00 O ATOM 0 H SER A 411 7.435 -1.591 6.914 1.00 0.00 H new ATOM 0 HA SER A 411 5.700 -2.467 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.230 -4.503 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.799 -3.698 7.487 1.00 0.00 H new ATOM 0 HG SER A 411 4.072 -5.004 6.664 1.00 0.00 H new ATOM 437 N ILE A 412 3.699 -1.375 5.985 1.00 0.00 N ATOM 438 CA ILE A 412 2.723 -0.392 6.427 1.00 0.00 C ATOM 439 C ILE A 412 1.314 -0.840 6.057 1.00 0.00 C ATOM 440 O ILE A 412 1.087 -1.406 4.987 1.00 0.00 O ATOM 441 CB ILE A 412 3.011 1.006 5.821 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.034 2.052 6.369 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.953 0.968 4.299 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.159 2.275 7.862 1.00 0.00 C ATOM 0 H ILE A 412 3.318 -2.099 5.376 1.00 0.00 H new ATOM 0 HA ILE A 412 2.801 -0.313 7.511 1.00 0.00 H new ATOM 0 HB ILE A 412 4.021 1.292 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.201 2.998 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.015 1.740 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.159 1.962 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.698 0.266 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.961 0.649 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.437 3.028 8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.963 1.340 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.167 2.618 8.096 1.00 0.00 H new ATOM 456 N ASP A 413 0.382 -0.631 6.972 1.00 0.00 N ATOM 457 CA ASP A 413 -1.017 -0.952 6.733 1.00 0.00 C ATOM 458 C ASP A 413 -1.664 0.104 5.855 1.00 0.00 C ATOM 459 O ASP A 413 -1.359 1.293 5.961 1.00 0.00 O ATOM 460 CB ASP A 413 -1.788 -1.073 8.051 1.00 0.00 C ATOM 461 CG ASP A 413 -1.635 0.152 8.933 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.578 0.286 9.591 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.561 0.991 8.968 1.00 0.00 O ATOM 0 H ASP A 413 0.570 -0.238 7.894 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.054 -1.913 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.845 -1.231 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.438 -1.952 8.593 1.00 0.00 H new ATOM 468 N VAL A 414 -2.544 -0.338 4.981 1.00 0.00 N ATOM 469 CA VAL A 414 -3.264 0.568 4.100 1.00 0.00 C ATOM 470 C VAL A 414 -4.714 0.684 4.519 1.00 0.00 C ATOM 471 O VAL A 414 -5.388 -0.317 4.761 1.00 0.00 O ATOM 472 CB VAL A 414 -3.199 0.117 2.627 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.947 1.092 1.730 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.757 -0.020 2.178 1.00 0.00 C ATOM 0 H VAL A 414 -2.781 -1.323 4.859 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.777 1.539 4.184 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.681 -0.857 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.888 0.754 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.992 1.140 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.498 2.082 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.729 -0.339 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.252 0.941 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.252 -0.761 2.798 1.00 0.00 H new ATOM 484 N ALA A 415 -5.183 1.914 4.613 1.00 0.00 N ATOM 485 CA ALA A 415 -6.567 2.164 4.926 1.00 0.00 C ATOM 486 C ALA A 415 -7.358 2.298 3.635 1.00 0.00 C ATOM 487 O ALA A 415 -7.439 3.379 3.046 1.00 0.00 O ATOM 488 CB ALA A 415 -6.709 3.411 5.788 1.00 0.00 C ATOM 0 H ALA A 415 -4.620 2.754 4.476 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.964 1.325 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.762 3.580 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.157 3.275 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.309 4.272 5.252 1.00 0.00 H new ATOM 494 N CYS A 416 -7.907 1.187 3.174 1.00 0.00 N ATOM 495 CA CYS A 416 -8.628 1.174 1.912 1.00 0.00 C ATOM 496 C CYS A 416 -10.020 1.745 2.083 1.00 0.00 C ATOM 497 O CYS A 416 -10.616 1.663 3.155 1.00 0.00 O ATOM 498 CB CYS A 416 -8.734 -0.245 1.354 1.00 0.00 C ATOM 499 SG CYS A 416 -7.192 -1.207 1.455 1.00 0.00 S ATOM 0 H CYS A 416 -7.868 0.287 3.652 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.067 1.792 1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.517 -0.778 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.047 -0.190 0.311 1.00 0.00 H new ATOM 504 N HIS A 417 -10.518 2.339 1.012 1.00 0.00 N ATOM 505 CA HIS A 417 -11.873 2.834 0.975 1.00 0.00 C ATOM 506 C HIS A 417 -12.878 1.693 1.048 1.00 0.00 C ATOM 507 O HIS A 417 -12.597 0.581 0.603 1.00 0.00 O ATOM 508 CB HIS A 417 -12.129 3.701 -0.271 1.00 0.00 C ATOM 509 CG HIS A 417 -11.461 3.292 -1.567 1.00 0.00 C ATOM 510 ND1 HIS A 417 -10.259 2.715 -1.835 1.00 0.00 N flip ATOM 511 CD2 HIS A 417 -12.031 3.540 -2.797 1.00 0.00 C flip ATOM 512 CE1 HIS A 417 -10.136 2.633 -3.200 1.00 0.00 C flip ATOM 513 NE2 HIS A 417 -11.217 3.137 -3.756 1.00 0.00 N flip ATOM 0 H HIS A 417 -9.993 2.489 0.150 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.007 3.466 1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.205 3.729 -0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -11.816 4.719 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.998 3.995 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -9.290 2.222 -3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.396 3.205 -4.758 1.00 0.00 H new ATOM 522 N PRO A 418 -14.060 1.980 1.625 1.00 0.00 N ATOM 523 CA PRO A 418 -15.123 0.993 1.860 1.00 0.00 C ATOM 524 C PRO A 418 -15.418 0.123 0.641 1.00 0.00 C ATOM 525 O PRO A 418 -15.651 0.633 -0.456 1.00 0.00 O ATOM 526 CB PRO A 418 -16.331 1.869 2.196 1.00 0.00 C ATOM 527 CG PRO A 418 -15.748 3.081 2.818 1.00 0.00 C ATOM 528 CD PRO A 418 -14.451 3.320 2.101 1.00 0.00 C ATOM 0 HA PRO A 418 -14.849 0.282 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -16.902 2.117 1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.012 1.361 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.417 3.935 2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.584 2.933 3.885 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -14.574 4.018 1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.698 3.744 2.766 1.00 0.00 H new ATOM 536 N GLY A 419 -15.394 -1.188 0.844 1.00 0.00 N ATOM 537 CA GLY A 419 -15.677 -2.120 -0.232 1.00 0.00 C ATOM 538 C GLY A 419 -14.421 -2.564 -0.956 1.00 0.00 C ATOM 539 O GLY A 419 -14.454 -3.481 -1.785 1.00 0.00 O ATOM 0 H GLY A 419 -15.182 -1.625 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.188 -2.994 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.358 -1.653 -0.944 1.00 0.00 H new ATOM 543 N TYR A 420 -13.309 -1.912 -0.647 1.00 0.00 N ATOM 544 CA TYR A 420 -12.042 -2.204 -1.296 1.00 0.00 C ATOM 545 C TYR A 420 -11.054 -2.803 -0.307 1.00 0.00 C ATOM 546 O TYR A 420 -10.930 -2.332 0.820 1.00 0.00 O ATOM 547 CB TYR A 420 -11.465 -0.925 -1.899 1.00 0.00 C ATOM 548 CG TYR A 420 -12.363 -0.300 -2.949 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.301 -0.714 -4.273 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.271 0.699 -2.618 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.116 -0.153 -5.237 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.088 1.267 -3.578 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.008 0.836 -4.885 1.00 0.00 C ATOM 554 OH TYR A 420 -14.817 1.403 -5.843 1.00 0.00 O ATOM 0 H TYR A 420 -13.261 -1.173 0.054 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.218 -2.932 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.291 -0.202 -1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.496 -1.147 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.603 -1.489 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.339 1.037 -1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.054 -0.488 -6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.786 2.045 -3.305 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.388 2.083 -5.428 1.00 0.00 H new ATOM 564 N ALA A 421 -10.350 -3.836 -0.737 1.00 0.00 N ATOM 565 CA ALA A 421 -9.379 -4.512 0.113 1.00 0.00 C ATOM 566 C ALA A 421 -8.202 -4.998 -0.721 1.00 0.00 C ATOM 567 O ALA A 421 -8.356 -5.295 -1.903 1.00 0.00 O ATOM 568 CB ALA A 421 -10.037 -5.678 0.837 1.00 0.00 C ATOM 0 H ALA A 421 -10.432 -4.228 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.009 -3.807 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.301 -6.175 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.855 -5.308 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.426 -6.387 0.106 1.00 0.00 H new ATOM 574 N LEU A 422 -7.028 -5.052 -0.114 1.00 0.00 N ATOM 575 CA LEU A 422 -5.834 -5.519 -0.805 1.00 0.00 C ATOM 576 C LEU A 422 -5.939 -7.000 -1.127 1.00 0.00 C ATOM 577 O LEU A 422 -6.569 -7.766 -0.393 1.00 0.00 O ATOM 578 CB LEU A 422 -4.586 -5.255 0.032 1.00 0.00 C ATOM 579 CG LEU A 422 -4.122 -3.800 0.062 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.094 -3.585 1.161 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.533 -3.414 -1.281 1.00 0.00 C ATOM 0 H LEU A 422 -6.875 -4.778 0.857 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.752 -4.964 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.778 -5.580 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.773 -5.872 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.986 -3.168 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.777 -2.542 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.536 -3.833 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.231 -4.226 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.205 -2.375 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.681 -4.057 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.289 -3.533 -2.057 1.00 0.00 H new ATOM 593 N PRO A 423 -5.318 -7.396 -2.241 1.00 0.00 N ATOM 594 CA PRO A 423 -5.310 -8.775 -2.732 1.00 0.00 C ATOM 595 C PRO A 423 -4.981 -9.785 -1.642 1.00 0.00 C ATOM 596 O PRO A 423 -4.082 -9.559 -0.827 1.00 0.00 O ATOM 597 CB PRO A 423 -4.215 -8.753 -3.791 1.00 0.00 C ATOM 598 CG PRO A 423 -4.255 -7.361 -4.310 1.00 0.00 C ATOM 599 CD PRO A 423 -4.565 -6.497 -3.125 1.00 0.00 C ATOM 0 HA PRO A 423 -6.286 -9.083 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.241 -8.994 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.406 -9.480 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.302 -7.083 -4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.015 -7.253 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.657 -6.129 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.153 -5.624 -3.407 1.00 0.00 H new ATOM 607 N LYS A 424 -5.731 -10.888 -1.638 1.00 0.00 N ATOM 608 CA LYS A 424 -5.594 -11.947 -0.636 1.00 0.00 C ATOM 609 C LYS A 424 -6.120 -11.484 0.718 1.00 0.00 C ATOM 610 O LYS A 424 -5.761 -12.038 1.759 1.00 0.00 O ATOM 611 CB LYS A 424 -4.148 -12.427 -0.520 1.00 0.00 C ATOM 612 CG LYS A 424 -3.605 -12.998 -1.815 1.00 0.00 C ATOM 613 CD LYS A 424 -2.196 -13.521 -1.635 1.00 0.00 C ATOM 614 CE LYS A 424 -1.624 -14.038 -2.944 1.00 0.00 C ATOM 615 NZ LYS A 424 -1.605 -12.988 -3.996 1.00 0.00 N ATOM 0 H LYS A 424 -6.454 -11.073 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.196 -12.793 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.519 -11.594 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.085 -13.186 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.253 -13.803 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.614 -12.228 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.559 -12.727 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.195 -14.321 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.611 -14.403 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -2.216 -14.886 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.701 -13.026 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.387 -13.150 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -1.714 -12.053 -3.555 1.00 0.00 H new ATOM 629 N ALA A 425 -6.975 -10.462 0.681 1.00 0.00 N ATOM 630 CA ALA A 425 -7.624 -9.923 1.875 1.00 0.00 C ATOM 631 C ALA A 425 -6.605 -9.373 2.869 1.00 0.00 C ATOM 632 O ALA A 425 -6.785 -9.476 4.083 1.00 0.00 O ATOM 633 CB ALA A 425 -8.506 -10.977 2.534 1.00 0.00 C ATOM 0 H ALA A 425 -7.237 -9.984 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.256 -9.093 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.979 -10.554 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.275 -11.299 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.896 -11.833 2.822 1.00 0.00 H new ATOM 639 N GLN A 426 -5.543 -8.778 2.347 1.00 0.00 N ATOM 640 CA GLN A 426 -4.496 -8.215 3.181 1.00 0.00 C ATOM 641 C GLN A 426 -4.837 -6.781 3.573 1.00 0.00 C ATOM 642 O GLN A 426 -5.669 -6.134 2.935 1.00 0.00 O ATOM 643 CB GLN A 426 -3.160 -8.265 2.439 1.00 0.00 C ATOM 644 CG GLN A 426 -2.682 -9.681 2.153 1.00 0.00 C ATOM 645 CD GLN A 426 -1.351 -9.718 1.433 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.294 -9.753 2.062 1.00 0.00 O ATOM 647 NE2 GLN A 426 -1.394 -9.706 0.109 1.00 0.00 N ATOM 0 H GLN A 426 -5.385 -8.673 1.345 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.415 -8.806 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.255 -7.724 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.405 -7.747 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.597 -10.227 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.430 -10.197 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -2.293 -9.677 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.528 -9.726 -0.430 1.00 0.00 H new ATOM 656 N THR A 427 -4.199 -6.297 4.627 1.00 0.00 N ATOM 657 CA THR A 427 -4.435 -4.949 5.118 1.00 0.00 C ATOM 658 C THR A 427 -3.143 -4.163 5.128 1.00 0.00 C ATOM 659 O THR A 427 -3.125 -2.956 5.347 1.00 0.00 O ATOM 660 CB THR A 427 -5.003 -4.979 6.544 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.388 -6.048 7.280 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.512 -5.157 6.528 1.00 0.00 C ATOM 0 H THR A 427 -3.508 -6.823 5.162 1.00 0.00 H new ATOM 0 HA THR A 427 -5.155 -4.473 4.452 1.00 0.00 H new ATOM 0 HB THR A 427 -4.783 -4.027 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.748 -6.067 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.887 -5.175 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.970 -4.329 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.762 -6.096 6.033 1.00 0.00 H new ATOM 670 N THR A 428 -2.065 -4.866 4.870 1.00 0.00 N ATOM 671 CA THR A 428 -0.746 -4.302 4.981 1.00 0.00 C ATOM 672 C THR A 428 0.017 -4.495 3.678 1.00 0.00 C ATOM 673 O THR A 428 -0.261 -5.426 2.923 1.00 0.00 O ATOM 674 CB THR A 428 0.017 -4.987 6.120 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.861 -5.881 6.821 1.00 0.00 O ATOM 676 CG2 THR A 428 0.594 -3.981 7.099 1.00 0.00 C ATOM 0 H THR A 428 -2.081 -5.843 4.578 1.00 0.00 H new ATOM 0 HA THR A 428 -0.837 -3.236 5.191 1.00 0.00 H new ATOM 0 HB THR A 428 0.845 -5.540 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.370 -6.319 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.127 -4.508 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.284 -3.319 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.214 -3.393 7.535 1.00 0.00 H new ATOM 684 N VAL A 429 0.963 -3.615 3.416 1.00 0.00 N ATOM 685 CA VAL A 429 1.776 -3.701 2.218 1.00 0.00 C ATOM 686 C VAL A 429 3.224 -3.408 2.547 1.00 0.00 C ATOM 687 O VAL A 429 3.522 -2.541 3.366 1.00 0.00 O ATOM 688 CB VAL A 429 1.268 -2.743 1.122 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.258 -1.300 1.599 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.084 -2.875 -0.128 1.00 0.00 C ATOM 0 H VAL A 429 1.189 -2.826 4.022 1.00 0.00 H new ATOM 0 HA VAL A 429 1.699 -4.717 1.832 1.00 0.00 H new ATOM 0 HB VAL A 429 0.240 -3.027 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.894 -0.655 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.604 -1.208 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.269 -1.001 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.704 -2.188 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.125 -2.635 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.017 -3.897 -0.500 1.00 0.00 H new ATOM 700 N THR A 430 4.128 -4.152 1.932 1.00 0.00 N ATOM 701 CA THR A 430 5.528 -3.996 2.245 1.00 0.00 C ATOM 702 C THR A 430 6.390 -3.897 1.005 1.00 0.00 C ATOM 703 O THR A 430 6.039 -4.402 -0.054 1.00 0.00 O ATOM 704 CB THR A 430 6.058 -5.126 3.160 1.00 0.00 C ATOM 705 OG1 THR A 430 7.063 -5.905 2.490 1.00 0.00 O ATOM 706 CG2 THR A 430 4.938 -6.052 3.623 1.00 0.00 C ATOM 0 H THR A 430 3.918 -4.857 1.226 1.00 0.00 H new ATOM 0 HA THR A 430 5.599 -3.053 2.788 1.00 0.00 H new ATOM 0 HB THR A 430 6.495 -4.641 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.383 -6.611 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.352 -6.831 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.199 -5.478 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.462 -6.509 2.756 1.00 0.00 H new ATOM 714 N CYS A 431 7.516 -3.224 1.159 1.00 0.00 N ATOM 715 CA CYS A 431 8.466 -3.047 0.078 1.00 0.00 C ATOM 716 C CYS A 431 9.393 -4.257 0.018 1.00 0.00 C ATOM 717 O CYS A 431 10.433 -4.281 0.674 1.00 0.00 O ATOM 718 CB CYS A 431 9.271 -1.762 0.303 1.00 0.00 C ATOM 719 SG CYS A 431 10.240 -1.211 -1.138 1.00 0.00 S ATOM 0 H CYS A 431 7.797 -2.786 2.036 1.00 0.00 H new ATOM 0 HA CYS A 431 7.935 -2.961 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.585 -0.965 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.949 -1.916 1.143 1.00 0.00 H new ATOM 724 N MET A 432 9.002 -5.268 -0.754 1.00 0.00 N ATOM 725 CA MET A 432 9.734 -6.532 -0.782 1.00 0.00 C ATOM 726 C MET A 432 11.088 -6.373 -1.466 1.00 0.00 C ATOM 727 O MET A 432 12.089 -6.935 -1.015 1.00 0.00 O ATOM 728 CB MET A 432 8.910 -7.628 -1.475 1.00 0.00 C ATOM 729 CG MET A 432 8.789 -7.446 -2.978 1.00 0.00 C ATOM 730 SD MET A 432 7.943 -8.815 -3.790 1.00 0.00 S ATOM 731 CE MET A 432 9.033 -10.181 -3.394 1.00 0.00 C ATOM 0 H MET A 432 8.186 -5.237 -1.366 1.00 0.00 H new ATOM 0 HA MET A 432 9.910 -6.832 0.251 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.367 -8.596 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 432 7.911 -7.649 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.251 -6.521 -3.184 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.785 -7.337 -3.406 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.885 -10.985 -4.114 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.069 -9.844 -3.435 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.810 -10.546 -2.391 1.00 0.00 H new ATOM 741 N GLU A 433 11.113 -5.588 -2.535 1.00 0.00 N ATOM 742 CA GLU A 433 12.326 -5.378 -3.313 1.00 0.00 C ATOM 743 C GLU A 433 12.077 -4.381 -4.428 1.00 0.00 C ATOM 744 O GLU A 433 12.484 -3.230 -4.345 1.00 0.00 O ATOM 745 CB GLU A 433 12.838 -6.689 -3.911 1.00 0.00 C ATOM 746 CG GLU A 433 14.044 -6.509 -4.820 1.00 0.00 C ATOM 747 CD GLU A 433 14.370 -7.761 -5.598 1.00 0.00 C ATOM 748 OE1 GLU A 433 13.784 -7.960 -6.682 1.00 0.00 O ATOM 749 OE2 GLU A 433 15.204 -8.557 -5.129 1.00 0.00 O ATOM 0 H GLU A 433 10.299 -5.082 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 433 13.084 -4.984 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.101 -7.370 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.034 -7.160 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.853 -5.692 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.908 -6.222 -4.221 1.00 0.00 H new ATOM 756 N ASN A 434 11.389 -4.831 -5.463 1.00 0.00 N ATOM 757 CA ASN A 434 11.131 -3.990 -6.623 1.00 0.00 C ATOM 758 C ASN A 434 9.958 -3.067 -6.348 1.00 0.00 C ATOM 759 O ASN A 434 9.706 -2.119 -7.092 1.00 0.00 O ATOM 760 CB ASN A 434 10.863 -4.844 -7.864 1.00 0.00 C ATOM 761 CG ASN A 434 9.653 -5.749 -7.713 1.00 0.00 C ATOM 762 OD1 ASN A 434 8.521 -5.340 -7.967 1.00 0.00 O ATOM 763 ND2 ASN A 434 9.887 -6.996 -7.328 1.00 0.00 N ATOM 0 H ASN A 434 10.999 -5.771 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 434 12.016 -3.384 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.715 -4.190 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.742 -5.454 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.114 -7.654 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.840 -7.297 -7.126 1.00 0.00 H new ATOM 770 N GLY A 435 9.254 -3.350 -5.266 1.00 0.00 N ATOM 771 CA GLY A 435 8.148 -2.523 -4.862 1.00 0.00 C ATOM 772 C GLY A 435 7.316 -3.183 -3.791 1.00 0.00 C ATOM 773 O GLY A 435 7.686 -4.242 -3.268 1.00 0.00 O ATOM 0 H GLY A 435 9.434 -4.148 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.524 -1.568 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.521 -2.306 -5.727 1.00 0.00 H new ATOM 777 N TRP A 436 6.217 -2.534 -3.449 1.00 0.00 N ATOM 778 CA TRP A 436 5.223 -3.086 -2.545 1.00 0.00 C ATOM 779 C TRP A 436 4.759 -4.458 -3.053 1.00 0.00 C ATOM 780 O TRP A 436 4.265 -4.575 -4.174 1.00 0.00 O ATOM 781 CB TRP A 436 4.033 -2.138 -2.494 1.00 0.00 C ATOM 782 CG TRP A 436 4.349 -0.745 -2.036 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.297 0.393 -2.789 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.752 -0.337 -0.725 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.627 1.482 -2.026 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.913 1.061 -0.755 1.00 0.00 C ATOM 787 CE3 TRP A 436 4.983 -1.016 0.470 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.297 1.790 0.365 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.368 -0.292 1.582 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.520 1.097 1.522 1.00 0.00 C ATOM 0 H TRP A 436 5.987 -1.602 -3.793 1.00 0.00 H new ATOM 0 HA TRP A 436 5.655 -3.204 -1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.588 -2.085 -3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.280 -2.560 -1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.034 0.429 -3.836 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.655 2.448 -2.352 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.863 -2.088 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.415 2.863 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.555 -0.807 2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.820 1.634 2.410 1.00 0.00 H new ATOM 801 N SER A 437 4.910 -5.482 -2.222 1.00 0.00 N ATOM 802 CA SER A 437 4.680 -6.861 -2.643 1.00 0.00 C ATOM 803 C SER A 437 3.188 -7.214 -2.759 1.00 0.00 C ATOM 804 O SER A 437 2.784 -7.822 -3.751 1.00 0.00 O ATOM 805 CB SER A 437 5.425 -7.826 -1.709 1.00 0.00 C ATOM 806 OG SER A 437 5.399 -7.379 -0.364 1.00 0.00 O ATOM 0 H SER A 437 5.192 -5.384 -1.247 1.00 0.00 H new ATOM 0 HA SER A 437 5.082 -6.967 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 437 4.973 -8.816 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.459 -7.926 -2.039 1.00 0.00 H new ATOM 0 HG SER A 437 5.881 -8.017 0.202 1.00 0.00 H new ATOM 812 N PRO A 438 2.335 -6.859 -1.769 1.00 0.00 N ATOM 813 CA PRO A 438 0.881 -7.017 -1.898 1.00 0.00 C ATOM 814 C PRO A 438 0.321 -6.159 -3.027 1.00 0.00 C ATOM 815 O PRO A 438 -0.768 -6.419 -3.536 1.00 0.00 O ATOM 816 CB PRO A 438 0.349 -6.514 -0.552 1.00 0.00 C ATOM 817 CG PRO A 438 1.488 -6.648 0.380 1.00 0.00 C ATOM 818 CD PRO A 438 2.691 -6.328 -0.443 1.00 0.00 C ATOM 0 HA PRO A 438 0.598 -8.044 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.015 -5.479 -0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.505 -7.104 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.392 -5.964 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.546 -7.656 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.884 -5.256 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.589 -6.801 -0.046 1.00 0.00 H new ATOM 826 N THR A 439 1.101 -5.151 -3.418 1.00 0.00 N ATOM 827 CA THR A 439 0.684 -4.166 -4.407 1.00 0.00 C ATOM 828 C THR A 439 -0.485 -3.338 -3.867 1.00 0.00 C ATOM 829 O THR A 439 -1.621 -3.802 -3.818 1.00 0.00 O ATOM 830 CB THR A 439 0.294 -4.824 -5.748 1.00 0.00 C ATOM 831 OG1 THR A 439 1.320 -5.740 -6.155 1.00 0.00 O ATOM 832 CG2 THR A 439 0.101 -3.772 -6.832 1.00 0.00 C ATOM 0 H THR A 439 2.042 -4.997 -3.055 1.00 0.00 H new ATOM 0 HA THR A 439 1.535 -3.512 -4.597 1.00 0.00 H new ATOM 0 HB THR A 439 -0.645 -5.358 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.068 -6.157 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.173 -4.260 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.691 -3.085 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.029 -3.218 -6.970 1.00 0.00 H new ATOM 840 N PRO A 440 -0.204 -2.100 -3.436 1.00 0.00 N ATOM 841 CA PRO A 440 -1.202 -1.225 -2.825 1.00 0.00 C ATOM 842 C PRO A 440 -2.240 -0.743 -3.826 1.00 0.00 C ATOM 843 O PRO A 440 -2.165 0.368 -4.350 1.00 0.00 O ATOM 844 CB PRO A 440 -0.390 -0.055 -2.273 1.00 0.00 C ATOM 845 CG PRO A 440 0.898 -0.068 -3.020 1.00 0.00 C ATOM 846 CD PRO A 440 1.111 -1.469 -3.522 1.00 0.00 C ATOM 0 HA PRO A 440 -1.774 -1.745 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.916 0.889 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.222 -0.166 -1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.867 0.637 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.720 0.237 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.484 -1.470 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.845 -1.999 -2.915 1.00 0.00 H new ATOM 854 N ARG A 441 -3.192 -1.614 -4.093 1.00 0.00 N ATOM 855 CA ARG A 441 -4.312 -1.315 -4.959 1.00 0.00 C ATOM 856 C ARG A 441 -5.520 -2.080 -4.452 1.00 0.00 C ATOM 857 O ARG A 441 -5.880 -3.127 -4.985 1.00 0.00 O ATOM 858 CB ARG A 441 -4.006 -1.682 -6.419 1.00 0.00 C ATOM 859 CG ARG A 441 -3.462 -3.092 -6.602 1.00 0.00 C ATOM 860 CD ARG A 441 -3.354 -3.474 -8.067 1.00 0.00 C ATOM 861 NE ARG A 441 -4.663 -3.561 -8.717 1.00 0.00 N ATOM 862 CZ ARG A 441 -5.070 -4.621 -9.419 1.00 0.00 C ATOM 863 NH1 ARG A 441 -4.320 -5.717 -9.463 1.00 0.00 N ATOM 864 NH2 ARG A 441 -6.242 -4.598 -10.043 1.00 0.00 N ATOM 0 H ARG A 441 -3.209 -2.559 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.512 -0.244 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.917 -1.576 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.283 -0.970 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.480 -3.165 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.112 -3.801 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.741 -2.739 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.844 -4.433 -8.153 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.299 -2.768 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.433 -5.749 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.631 -6.527 -9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.834 -3.769 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.551 -5.409 -10.579 1.00 0.00 H new ATOM 878 N CYS A 442 -6.104 -1.570 -3.378 1.00 0.00 N ATOM 879 CA CYS A 442 -7.231 -2.221 -2.729 1.00 0.00 C ATOM 880 C CYS A 442 -8.372 -2.446 -3.712 1.00 0.00 C ATOM 881 O CYS A 442 -9.146 -1.532 -4.008 1.00 0.00 O ATOM 882 CB CYS A 442 -7.702 -1.385 -1.541 1.00 0.00 C ATOM 883 SG CYS A 442 -6.364 -0.955 -0.380 1.00 0.00 S ATOM 0 H CYS A 442 -5.812 -0.699 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 442 -6.905 -3.196 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.160 -0.468 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.476 -1.934 -1.004 1.00 0.00 H new ATOM 888 N ILE A 443 -8.458 -3.664 -4.221 1.00 0.00 N ATOM 889 CA ILE A 443 -9.451 -4.021 -5.205 1.00 0.00 C ATOM 890 C ILE A 443 -10.811 -4.199 -4.558 1.00 0.00 C ATOM 891 O ILE A 443 -10.915 -4.581 -3.392 1.00 0.00 O ATOM 892 CB ILE A 443 -9.060 -5.314 -5.945 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.502 -6.359 -4.973 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.053 -5.005 -7.040 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.316 -7.729 -5.592 1.00 0.00 C ATOM 0 H ILE A 443 -7.837 -4.430 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.503 -3.206 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.957 -5.733 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.543 -6.010 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.175 -6.444 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.783 -5.926 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.492 -4.305 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.160 -4.562 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.918 -8.415 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.276 -8.100 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.620 -7.659 -6.428 1.00 0.00 H new ATOM 907 N ARG A 444 -11.848 -3.897 -5.317 1.00 0.00 N ATOM 908 CA ARG A 444 -13.198 -4.035 -4.857 1.00 0.00 C ATOM 909 C ARG A 444 -13.529 -5.487 -4.624 1.00 0.00 C ATOM 910 O ARG A 444 -13.479 -6.310 -5.539 1.00 0.00 O ATOM 911 CB ARG A 444 -14.136 -3.412 -5.882 1.00 0.00 C ATOM 912 CG ARG A 444 -15.586 -3.679 -5.607 1.00 0.00 C ATOM 913 CD ARG A 444 -16.483 -2.962 -6.600 1.00 0.00 C ATOM 914 NE ARG A 444 -17.872 -3.400 -6.501 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.881 -2.824 -7.151 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.658 -1.770 -7.929 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.113 -3.303 -7.024 1.00 0.00 N ATOM 0 H ARG A 444 -11.767 -3.549 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.319 -3.516 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.971 -2.335 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -13.886 -3.795 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.775 -4.752 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.831 -3.356 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.429 -1.887 -6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.118 -3.140 -7.612 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.082 -4.195 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.712 -1.401 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.432 -1.330 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.287 -4.113 -6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.886 -2.861 -7.522 1.00 0.00 H new ATOM 931 N VAL A 445 -13.845 -5.786 -3.384 1.00 0.00 N ATOM 932 CA VAL A 445 -14.154 -7.134 -2.980 1.00 0.00 C ATOM 933 C VAL A 445 -15.662 -7.299 -2.856 1.00 0.00 C ATOM 934 O VAL A 445 -16.180 -8.406 -2.682 1.00 0.00 O ATOM 935 CB VAL A 445 -13.450 -7.462 -1.647 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.127 -6.761 -0.478 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.366 -8.963 -1.420 1.00 0.00 C ATOM 0 H VAL A 445 -13.894 -5.101 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.791 -7.831 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.430 -7.083 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.608 -7.012 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.093 -5.682 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.165 -7.086 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.865 -9.160 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.371 -9.384 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.802 -9.423 -2.231 1.00 0.00 H new ATOM 947 N LYS A 446 -16.354 -6.175 -2.966 1.00 0.00 N ATOM 948 CA LYS A 446 -17.802 -6.143 -2.898 1.00 0.00 C ATOM 949 C LYS A 446 -18.401 -6.473 -4.260 1.00 0.00 C ATOM 950 O LYS A 446 -18.319 -5.626 -5.169 1.00 0.00 O ATOM 951 CB LYS A 446 -18.274 -4.762 -2.429 1.00 0.00 C ATOM 952 CG LYS A 446 -19.785 -4.626 -2.343 1.00 0.00 C ATOM 953 CD LYS A 446 -20.373 -5.583 -1.323 1.00 0.00 C ATOM 954 CE LYS A 446 -21.892 -5.598 -1.385 1.00 0.00 C ATOM 955 NZ LYS A 446 -22.387 -6.078 -2.704 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.962 -7.575 -4.417 1.00 0.00 O ATOM 0 H LYS A 446 -15.925 -5.260 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.139 -6.892 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.844 -4.555 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.889 -4.005 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -20.044 -3.602 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.225 -4.820 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.990 -6.588 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.051 -5.293 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -22.282 -6.240 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -22.273 -4.594 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -23.367 -6.411 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.353 -5.299 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.787 -6.860 -3.036 1.00 0.00 H new