USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 480 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 120:sc= -3.08! 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 400 GLN : amide:sc= -0.615 K(o=-4.3,f=-5) USER MOD Set 3.2: A 401 ASN : amide:sc= -3.65! C(o=-4.3!,f=-5!) USER MOD Single : A 388 LYS NZ :NH3+ 171:sc=-0.00301 (180deg=-0.0891) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot -112:sc= 0.34 USER MOD Single : A 396 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.56) USER MOD Single : A 398 TYR OH : rot 30:sc=-8.78e-05 USER MOD Single : A 399 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.24) USER MOD Single : A 402 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.66) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -1.71 F(o=-2.2!,f=-1.7) USER MOD Single : A 410 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-0.563) USER MOD Single : A 411 SER OG : rot 180:sc= -1.22 USER MOD Single : A 417 HIS :FLIP no HD1:sc= -5.52! C(o=-7.5!,f=-5.5!) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.041) USER MOD Single : A 432 MET CE :methyl -148:sc= -0.162 (180deg=-0.732) USER MOD Single : A 434 ASN : amide:sc= -0.563 K(o=-0.56,f=-5.5!) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.301 0.371 -1.035 1.00 0.00 N ATOM 2 CA LEU A 386 18.600 1.317 -2.088 1.00 0.00 C ATOM 3 C LEU A 386 17.404 1.467 -3.018 1.00 0.00 C ATOM 4 O LEU A 386 17.176 2.529 -3.599 1.00 0.00 O ATOM 5 CB LEU A 386 19.835 0.865 -2.864 1.00 0.00 C ATOM 6 CG LEU A 386 21.160 1.150 -2.165 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.315 0.305 -0.918 1.00 0.00 C ATOM 8 CD2 LEU A 386 22.329 0.943 -3.116 1.00 0.00 C ATOM 0 HA LEU A 386 18.809 2.289 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.760 -0.206 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.838 1.358 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 386 21.158 2.195 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.269 0.531 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 386 20.503 0.526 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.285 -0.751 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 386 23.263 1.152 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 386 22.333 -0.088 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 386 22.229 1.617 -3.967 1.00 0.00 H new ATOM 20 N ARG A 387 16.645 0.387 -3.151 1.00 0.00 N ATOM 21 CA ARG A 387 15.385 0.416 -3.871 1.00 0.00 C ATOM 22 C ARG A 387 14.321 1.079 -3.005 1.00 0.00 C ATOM 23 O ARG A 387 13.668 0.415 -2.203 1.00 0.00 O ATOM 24 CB ARG A 387 14.936 -1.003 -4.227 1.00 0.00 C ATOM 25 CG ARG A 387 15.875 -1.745 -5.162 1.00 0.00 C ATOM 26 CD ARG A 387 15.913 -1.111 -6.542 1.00 0.00 C ATOM 27 NE ARG A 387 16.720 -1.889 -7.479 1.00 0.00 N ATOM 28 CZ ARG A 387 16.750 -1.677 -8.795 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.026 -0.702 -9.333 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.505 -2.442 -9.572 1.00 0.00 N ATOM 0 H ARG A 387 16.886 -0.526 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 387 15.522 0.983 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.830 -1.578 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.949 -0.953 -4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.879 -1.753 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.557 -2.784 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.897 -1.020 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.317 -0.102 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 387 17.297 -2.642 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 387 15.444 -0.112 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 387 16.052 -0.544 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 387 18.062 -3.192 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.528 -2.280 -10.579 1.00 0.00 H new ATOM 44 N LYS A 388 14.174 2.389 -3.139 1.00 0.00 N ATOM 45 CA LYS A 388 13.132 3.100 -2.415 1.00 0.00 C ATOM 46 C LYS A 388 11.768 2.747 -2.981 1.00 0.00 C ATOM 47 O LYS A 388 11.632 2.410 -4.162 1.00 0.00 O ATOM 48 CB LYS A 388 13.357 4.609 -2.455 1.00 0.00 C ATOM 49 CG LYS A 388 14.526 5.069 -1.597 1.00 0.00 C ATOM 50 CD LYS A 388 14.239 4.892 -0.112 1.00 0.00 C ATOM 51 CE LYS A 388 15.387 5.398 0.750 1.00 0.00 C ATOM 52 NZ LYS A 388 15.552 6.875 0.660 1.00 0.00 N ATOM 0 H LYS A 388 14.757 2.976 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 388 13.172 2.789 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.530 4.916 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.450 5.113 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.419 4.504 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.739 6.118 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 388 13.326 5.427 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.062 3.838 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 388 15.210 5.117 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.312 4.912 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.239 7.192 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.896 7.129 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 14.637 7.338 0.832 1.00 0.00 H new ATOM 66 N CYS A 389 10.766 2.832 -2.133 1.00 0.00 N ATOM 67 CA CYS A 389 9.440 2.345 -2.453 1.00 0.00 C ATOM 68 C CYS A 389 8.406 3.442 -2.221 1.00 0.00 C ATOM 69 O CYS A 389 8.036 3.739 -1.086 1.00 0.00 O ATOM 70 CB CYS A 389 9.144 1.123 -1.584 1.00 0.00 C ATOM 71 SG CYS A 389 10.636 0.142 -1.207 1.00 0.00 S ATOM 0 H CYS A 389 10.847 3.241 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 389 9.391 2.059 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.685 1.450 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.417 0.489 -2.092 1.00 0.00 H new ATOM 76 N TYR A 390 7.973 4.058 -3.311 1.00 0.00 N ATOM 77 CA TYR A 390 7.007 5.146 -3.262 1.00 0.00 C ATOM 78 C TYR A 390 5.601 4.625 -2.971 1.00 0.00 C ATOM 79 O TYR A 390 5.176 3.608 -3.531 1.00 0.00 O ATOM 80 CB TYR A 390 7.039 5.910 -4.593 1.00 0.00 C ATOM 81 CG TYR A 390 5.901 6.887 -4.782 1.00 0.00 C ATOM 82 CD1 TYR A 390 5.859 8.085 -4.084 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.866 6.599 -5.661 1.00 0.00 C ATOM 84 CE1 TYR A 390 4.814 8.971 -4.257 1.00 0.00 C ATOM 85 CE2 TYR A 390 3.819 7.478 -5.839 1.00 0.00 C ATOM 86 CZ TYR A 390 3.796 8.662 -5.136 1.00 0.00 C ATOM 87 OH TYR A 390 2.747 9.535 -5.309 1.00 0.00 O ATOM 0 H TYR A 390 8.281 3.818 -4.253 1.00 0.00 H new ATOM 0 HA TYR A 390 7.277 5.821 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 390 7.982 6.452 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.023 5.190 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 390 6.655 8.328 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.881 5.672 -6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 390 4.794 9.901 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.021 7.239 -6.526 1.00 0.00 H new ATOM 0 HH TYR A 390 2.118 9.165 -5.963 1.00 0.00 H new ATOM 97 N PHE A 391 4.892 5.316 -2.087 1.00 0.00 N ATOM 98 CA PHE A 391 3.523 4.950 -1.753 1.00 0.00 C ATOM 99 C PHE A 391 2.554 5.654 -2.701 1.00 0.00 C ATOM 100 O PHE A 391 2.482 6.887 -2.728 1.00 0.00 O ATOM 101 CB PHE A 391 3.208 5.314 -0.299 1.00 0.00 C ATOM 102 CG PHE A 391 1.977 4.635 0.234 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.061 3.380 0.813 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.739 5.251 0.155 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.931 2.751 1.303 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.394 4.631 0.643 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.298 3.378 1.218 1.00 0.00 C ATOM 0 H PHE A 391 5.244 6.134 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 391 3.409 3.872 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.060 5.048 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.080 6.394 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.019 2.887 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.659 6.230 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.009 1.772 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.353 5.124 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.182 2.889 1.600 1.00 0.00 H new ATOM 117 N PRO A 392 1.791 4.869 -3.477 1.00 0.00 N ATOM 118 CA PRO A 392 0.932 5.381 -4.551 1.00 0.00 C ATOM 119 C PRO A 392 -0.395 5.945 -4.065 1.00 0.00 C ATOM 120 O PRO A 392 -0.670 6.030 -2.864 1.00 0.00 O ATOM 121 CB PRO A 392 0.700 4.138 -5.407 1.00 0.00 C ATOM 122 CG PRO A 392 0.723 3.008 -4.440 1.00 0.00 C ATOM 123 CD PRO A 392 1.698 3.400 -3.360 1.00 0.00 C ATOM 0 HA PRO A 392 1.396 6.219 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.253 4.191 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.476 4.028 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.269 2.831 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.033 2.084 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.343 3.100 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.668 2.926 -3.507 1.00 0.00 H new ATOM 131 N TYR A 393 -1.207 6.342 -5.030 1.00 0.00 N ATOM 132 CA TYR A 393 -2.495 6.950 -4.774 1.00 0.00 C ATOM 133 C TYR A 393 -3.606 5.986 -5.174 1.00 0.00 C ATOM 134 O TYR A 393 -3.721 5.601 -6.335 1.00 0.00 O ATOM 135 CB TYR A 393 -2.596 8.262 -5.553 1.00 0.00 C ATOM 136 CG TYR A 393 -3.866 9.036 -5.301 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.084 9.649 -4.077 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.840 9.163 -6.283 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.235 10.365 -3.834 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.996 9.878 -6.048 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.188 10.477 -4.821 1.00 0.00 C ATOM 142 OH TYR A 393 -7.339 11.184 -4.580 1.00 0.00 O ATOM 0 H TYR A 393 -0.986 6.249 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.602 7.168 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.744 8.891 -5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.522 8.045 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.338 9.564 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.690 8.695 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.389 10.836 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.746 9.968 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.102 10.569 -4.559 1.00 0.00 H new ATOM 152 N LEU A 394 -4.410 5.596 -4.200 1.00 0.00 N ATOM 153 CA LEU A 394 -5.421 4.564 -4.403 1.00 0.00 C ATOM 154 C LEU A 394 -6.815 5.155 -4.627 1.00 0.00 C ATOM 155 O LEU A 394 -7.758 4.805 -3.910 1.00 0.00 O ATOM 156 CB LEU A 394 -5.461 3.612 -3.198 1.00 0.00 C ATOM 157 CG LEU A 394 -4.269 2.656 -3.046 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.003 3.401 -2.651 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.595 1.586 -2.019 1.00 0.00 C ATOM 0 H LEU A 394 -4.384 5.979 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.139 4.016 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.537 4.212 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.371 3.016 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.086 2.185 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.180 2.693 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.759 4.136 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.161 3.908 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.746 0.911 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.805 2.056 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.469 1.022 -2.346 1.00 0.00 H new ATOM 171 N GLU A 395 -6.935 6.041 -5.618 1.00 0.00 N ATOM 172 CA GLU A 395 -8.222 6.623 -6.023 1.00 0.00 C ATOM 173 C GLU A 395 -8.898 7.382 -4.874 1.00 0.00 C ATOM 174 O GLU A 395 -8.724 8.591 -4.729 1.00 0.00 O ATOM 175 CB GLU A 395 -9.153 5.525 -6.559 1.00 0.00 C ATOM 176 CG GLU A 395 -10.454 6.040 -7.160 1.00 0.00 C ATOM 177 CD GLU A 395 -10.238 6.869 -8.409 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.050 6.281 -9.494 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.273 8.114 -8.317 1.00 0.00 O ATOM 0 H GLU A 395 -6.143 6.377 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.022 7.345 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.619 4.951 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.389 4.838 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -11.098 5.194 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.979 6.641 -6.417 1.00 0.00 H new ATOM 186 N ASN A 396 -9.657 6.662 -4.058 1.00 0.00 N ATOM 187 CA ASN A 396 -10.384 7.265 -2.948 1.00 0.00 C ATOM 188 C ASN A 396 -9.942 6.650 -1.627 1.00 0.00 C ATOM 189 O ASN A 396 -10.646 6.737 -0.624 1.00 0.00 O ATOM 190 CB ASN A 396 -11.896 7.070 -3.107 1.00 0.00 C ATOM 191 CG ASN A 396 -12.462 7.668 -4.378 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.976 8.681 -4.881 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.509 7.043 -4.901 1.00 0.00 N ATOM 0 H ASN A 396 -9.786 5.654 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.161 8.332 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.119 6.003 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.402 7.516 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.943 7.400 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.880 6.206 -4.452 1.00 0.00 H new ATOM 200 N GLY A 397 -8.793 5.985 -1.643 1.00 0.00 N ATOM 201 CA GLY A 397 -8.250 5.419 -0.422 1.00 0.00 C ATOM 202 C GLY A 397 -7.882 6.507 0.566 1.00 0.00 C ATOM 203 O GLY A 397 -7.838 7.679 0.203 1.00 0.00 O ATOM 0 H GLY A 397 -8.228 5.828 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.981 4.747 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.369 4.821 -0.655 1.00 0.00 H new ATOM 207 N TYR A 398 -7.612 6.139 1.807 1.00 0.00 N ATOM 208 CA TYR A 398 -7.285 7.135 2.823 1.00 0.00 C ATOM 209 C TYR A 398 -5.818 7.546 2.749 1.00 0.00 C ATOM 210 O TYR A 398 -5.465 8.655 3.142 1.00 0.00 O ATOM 211 CB TYR A 398 -7.633 6.612 4.217 1.00 0.00 C ATOM 212 CG TYR A 398 -9.120 6.403 4.423 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.950 7.465 4.759 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.695 5.146 4.273 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.310 7.282 4.944 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.054 4.955 4.454 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.857 6.025 4.791 1.00 0.00 C ATOM 218 OH TYR A 398 -13.210 5.837 4.972 1.00 0.00 O ATOM 0 H TYR A 398 -7.611 5.174 2.136 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.885 8.023 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.114 5.668 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.265 7.315 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.527 8.451 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.071 4.304 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.939 8.119 5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.484 3.972 4.332 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.689 6.657 4.731 1.00 0.00 H new ATOM 228 N ASN A 399 -4.987 6.637 2.224 1.00 0.00 N ATOM 229 CA ASN A 399 -3.539 6.858 2.050 1.00 0.00 C ATOM 230 C ASN A 399 -2.916 7.706 3.147 1.00 0.00 C ATOM 231 O ASN A 399 -2.518 8.843 2.915 1.00 0.00 O ATOM 232 CB ASN A 399 -3.177 7.469 0.686 1.00 0.00 C ATOM 233 CG ASN A 399 -4.138 8.540 0.189 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.974 9.723 0.479 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.128 8.139 -0.590 1.00 0.00 N ATOM 0 H ASN A 399 -5.299 5.720 1.905 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.119 5.854 2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.178 7.900 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.132 6.670 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.785 8.820 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.235 7.149 -0.810 1.00 0.00 H new ATOM 242 N GLN A 400 -2.803 7.132 4.329 1.00 0.00 N ATOM 243 CA GLN A 400 -2.112 7.774 5.441 1.00 0.00 C ATOM 244 C GLN A 400 -0.653 8.123 5.092 1.00 0.00 C ATOM 245 O GLN A 400 -0.002 8.868 5.823 1.00 0.00 O ATOM 246 CB GLN A 400 -2.146 6.856 6.659 1.00 0.00 C ATOM 247 CG GLN A 400 -1.586 5.480 6.371 1.00 0.00 C ATOM 248 CD GLN A 400 -1.391 4.644 7.618 1.00 0.00 C ATOM 249 OE1 GLN A 400 -0.334 4.689 8.245 1.00 0.00 O ATOM 250 NE2 GLN A 400 -2.400 3.868 7.977 1.00 0.00 N ATOM 0 H GLN A 400 -3.184 6.212 4.550 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.629 8.708 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.577 7.313 7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.174 6.759 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.258 4.956 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -0.630 5.584 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.259 3.862 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -2.319 3.276 8.803 1.00 0.00 H new ATOM 259 N ASN A 401 -0.140 7.577 3.988 1.00 0.00 N ATOM 260 CA ASN A 401 1.248 7.819 3.597 1.00 0.00 C ATOM 261 C ASN A 401 1.421 8.100 2.097 1.00 0.00 C ATOM 262 O ASN A 401 2.512 7.907 1.563 1.00 0.00 O ATOM 263 CB ASN A 401 2.128 6.628 3.997 1.00 0.00 C ATOM 264 CG ASN A 401 2.549 6.664 5.453 1.00 0.00 C ATOM 265 OD1 ASN A 401 3.585 7.230 5.798 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.763 6.049 6.315 1.00 0.00 N ATOM 0 H ASN A 401 -0.660 6.970 3.355 1.00 0.00 H new ATOM 0 HA ASN A 401 1.560 8.718 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.586 5.702 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.018 6.613 3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 401 2.007 6.032 7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.911 5.590 5.991 1.00 0.00 H new ATOM 273 N HIS A 402 0.365 8.549 1.410 1.00 0.00 N ATOM 274 CA HIS A 402 0.500 8.952 0.000 1.00 0.00 C ATOM 275 C HIS A 402 1.587 10.011 -0.179 1.00 0.00 C ATOM 276 O HIS A 402 1.649 10.990 0.569 1.00 0.00 O ATOM 277 CB HIS A 402 -0.830 9.492 -0.554 1.00 0.00 C ATOM 278 CG HIS A 402 -0.715 10.169 -1.890 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.998 11.503 -2.086 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.350 9.682 -3.099 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.810 11.809 -3.357 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.418 10.723 -3.992 1.00 0.00 N ATOM 0 H HIS A 402 -0.575 8.643 1.794 1.00 0.00 H new ATOM 0 HA HIS A 402 0.784 8.059 -0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.537 8.666 -0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.249 10.198 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.060 8.665 -3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.953 12.783 -3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 402 -0.200 10.665 -4.987 1.00 0.00 H new ATOM 291 N GLY A 403 2.446 9.796 -1.168 1.00 0.00 N ATOM 292 CA GLY A 403 3.419 10.806 -1.534 1.00 0.00 C ATOM 293 C GLY A 403 4.740 10.622 -0.826 1.00 0.00 C ATOM 294 O GLY A 403 5.668 11.409 -1.009 1.00 0.00 O ATOM 0 H GLY A 403 2.486 8.941 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.581 10.776 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.019 11.793 -1.299 1.00 0.00 H new ATOM 298 N ARG A 404 4.828 9.579 -0.020 1.00 0.00 N ATOM 299 CA ARG A 404 6.025 9.310 0.753 1.00 0.00 C ATOM 300 C ARG A 404 6.855 8.202 0.119 1.00 0.00 C ATOM 301 O ARG A 404 6.343 7.382 -0.651 1.00 0.00 O ATOM 302 CB ARG A 404 5.639 8.948 2.183 1.00 0.00 C ATOM 303 CG ARG A 404 5.148 10.142 2.983 1.00 0.00 C ATOM 304 CD ARG A 404 4.472 9.712 4.270 1.00 0.00 C ATOM 305 NE ARG A 404 4.190 10.849 5.150 1.00 0.00 N ATOM 306 CZ ARG A 404 3.025 11.502 5.190 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.052 11.186 4.348 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.854 12.493 6.058 1.00 0.00 N ATOM 0 H ARG A 404 4.078 8.901 0.116 1.00 0.00 H new ATOM 0 HA ARG A 404 6.641 10.209 0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.860 8.186 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.500 8.509 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.989 10.796 3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.449 10.722 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.541 9.196 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.109 8.998 4.793 1.00 0.00 H new ATOM 0 HE ARG A 404 4.933 11.163 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.190 10.441 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.165 11.688 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.611 12.753 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.966 12.994 6.092 1.00 0.00 H new ATOM 322 N LYS A 405 8.137 8.187 0.448 1.00 0.00 N ATOM 323 CA LYS A 405 9.068 7.226 -0.112 1.00 0.00 C ATOM 324 C LYS A 405 9.669 6.379 0.992 1.00 0.00 C ATOM 325 O LYS A 405 10.397 6.880 1.852 1.00 0.00 O ATOM 326 CB LYS A 405 10.177 7.943 -0.881 1.00 0.00 C ATOM 327 CG LYS A 405 9.678 8.708 -2.092 1.00 0.00 C ATOM 328 CD LYS A 405 10.789 9.520 -2.734 1.00 0.00 C ATOM 329 CE LYS A 405 10.285 10.295 -3.938 1.00 0.00 C ATOM 330 NZ LYS A 405 11.313 11.227 -4.466 1.00 0.00 N ATOM 0 H LYS A 405 8.558 8.840 1.109 1.00 0.00 H new ATOM 0 HA LYS A 405 8.526 6.579 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.686 8.634 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.917 7.210 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.268 8.009 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.866 9.372 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.205 10.212 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.597 8.856 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.991 9.597 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.393 10.857 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.930 11.737 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.576 11.909 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.154 10.688 -4.755 1.00 0.00 H new ATOM 344 N PHE A 406 9.354 5.103 0.970 1.00 0.00 N ATOM 345 CA PHE A 406 9.827 4.181 1.985 1.00 0.00 C ATOM 346 C PHE A 406 11.062 3.448 1.490 1.00 0.00 C ATOM 347 O PHE A 406 11.441 3.570 0.330 1.00 0.00 O ATOM 348 CB PHE A 406 8.726 3.184 2.348 1.00 0.00 C ATOM 349 CG PHE A 406 7.516 3.831 2.964 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.541 4.409 2.167 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.361 3.863 4.339 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.433 5.008 2.731 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.255 4.462 4.909 1.00 0.00 C ATOM 354 CZ PHE A 406 5.290 5.035 4.103 1.00 0.00 C ATOM 0 H PHE A 406 8.767 4.675 0.254 1.00 0.00 H new ATOM 0 HA PHE A 406 10.091 4.747 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.424 2.645 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.128 2.446 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.649 4.391 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.112 3.415 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.679 5.455 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.144 4.483 5.983 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.424 5.504 4.547 1.00 0.00 H new ATOM 364 N VAL A 407 11.690 2.709 2.376 1.00 0.00 N ATOM 365 CA VAL A 407 12.880 1.946 2.041 1.00 0.00 C ATOM 366 C VAL A 407 12.548 0.452 2.060 1.00 0.00 C ATOM 367 O VAL A 407 11.696 0.018 2.840 1.00 0.00 O ATOM 368 CB VAL A 407 14.026 2.274 3.032 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.576 2.092 4.473 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.261 1.433 2.758 1.00 0.00 C ATOM 0 H VAL A 407 11.395 2.617 3.348 1.00 0.00 H new ATOM 0 HA VAL A 407 13.217 2.217 1.040 1.00 0.00 H new ATOM 0 HB VAL A 407 14.289 3.321 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.401 2.329 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.737 2.757 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.266 1.059 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.043 1.691 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.012 0.377 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.616 1.627 1.746 1.00 0.00 H new ATOM 380 N GLN A 408 13.185 -0.313 1.170 1.00 0.00 N ATOM 381 CA GLN A 408 12.977 -1.754 1.075 1.00 0.00 C ATOM 382 C GLN A 408 12.997 -2.408 2.454 1.00 0.00 C ATOM 383 O GLN A 408 13.950 -2.243 3.217 1.00 0.00 O ATOM 384 CB GLN A 408 14.072 -2.353 0.202 1.00 0.00 C ATOM 385 CG GLN A 408 13.866 -3.809 -0.166 1.00 0.00 C ATOM 386 CD GLN A 408 15.044 -4.336 -0.956 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.018 -4.128 -2.260 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 15.980 -4.902 -0.395 1.00 0.00 N flip ATOM 0 H GLN A 408 13.859 0.052 0.497 1.00 0.00 H new ATOM 0 HA GLN A 408 11.998 -1.940 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.147 -1.768 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.025 -2.255 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.735 -4.402 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.953 -3.915 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 408 15.960 -5.042 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 408 16.777 -5.231 -0.940 1.00 0.00 H new ATOM 397 N GLY A 409 11.933 -3.133 2.769 1.00 0.00 N ATOM 398 CA GLY A 409 11.818 -3.755 4.071 1.00 0.00 C ATOM 399 C GLY A 409 10.718 -3.132 4.908 1.00 0.00 C ATOM 400 O GLY A 409 10.222 -3.748 5.850 1.00 0.00 O ATOM 0 H GLY A 409 11.145 -3.301 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.619 -4.820 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.768 -3.667 4.599 1.00 0.00 H new ATOM 404 N LYS A 410 10.334 -1.905 4.566 1.00 0.00 N ATOM 405 CA LYS A 410 9.301 -1.197 5.304 1.00 0.00 C ATOM 406 C LYS A 410 7.923 -1.774 5.049 1.00 0.00 C ATOM 407 O LYS A 410 7.598 -2.198 3.935 1.00 0.00 O ATOM 408 CB LYS A 410 9.303 0.286 4.936 1.00 0.00 C ATOM 409 CG LYS A 410 10.396 1.111 5.599 1.00 0.00 C ATOM 410 CD LYS A 410 10.161 1.281 7.094 1.00 0.00 C ATOM 411 CE LYS A 410 10.739 0.128 7.899 1.00 0.00 C ATOM 412 NZ LYS A 410 12.222 0.058 7.785 1.00 0.00 N ATOM 0 H LYS A 410 10.725 -1.383 3.782 1.00 0.00 H new ATOM 0 HA LYS A 410 9.529 -1.316 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.406 0.377 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.335 0.712 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.361 0.630 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.445 2.092 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.611 2.216 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.091 1.356 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.461 0.242 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.304 -0.810 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.611 -0.434 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.480 -0.461 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.613 1.021 7.739 1.00 0.00 H new ATOM 426 N SER A 411 7.127 -1.781 6.104 1.00 0.00 N ATOM 427 CA SER A 411 5.749 -2.208 6.043 1.00 0.00 C ATOM 428 C SER A 411 4.840 -1.058 6.452 1.00 0.00 C ATOM 429 O SER A 411 5.300 -0.069 7.028 1.00 0.00 O ATOM 430 CB SER A 411 5.545 -3.399 6.974 1.00 0.00 C ATOM 431 OG SER A 411 4.196 -3.841 6.988 1.00 0.00 O ATOM 0 H SER A 411 7.426 -1.487 7.034 1.00 0.00 H new ATOM 0 HA SER A 411 5.502 -2.507 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.191 -4.219 6.660 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.847 -3.124 7.985 1.00 0.00 H new ATOM 0 HG SER A 411 4.109 -4.606 7.595 1.00 0.00 H new ATOM 437 N ILE A 412 3.559 -1.207 6.176 1.00 0.00 N ATOM 438 CA ILE A 412 2.571 -0.178 6.485 1.00 0.00 C ATOM 439 C ILE A 412 1.174 -0.682 6.126 1.00 0.00 C ATOM 440 O ILE A 412 0.984 -1.351 5.111 1.00 0.00 O ATOM 441 CB ILE A 412 2.911 1.152 5.753 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.083 2.322 6.284 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.745 1.014 4.250 1.00 0.00 C ATOM 444 CD1 ILE A 412 0.759 2.487 5.601 1.00 0.00 C ATOM 0 H ILE A 412 3.170 -2.039 5.733 1.00 0.00 H new ATOM 0 HA ILE A 412 2.593 0.032 7.554 1.00 0.00 H new ATOM 0 HB ILE A 412 3.959 1.369 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.915 2.181 7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 412 2.657 3.242 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.990 1.961 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.412 0.235 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.713 0.747 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.230 3.337 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 412 0.918 2.661 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 412 0.165 1.583 5.736 1.00 0.00 H new ATOM 456 N ASP A 413 0.207 -0.400 6.987 1.00 0.00 N ATOM 457 CA ASP A 413 -1.157 -0.896 6.802 1.00 0.00 C ATOM 458 C ASP A 413 -1.947 -0.022 5.838 1.00 0.00 C ATOM 459 O ASP A 413 -1.995 1.201 5.973 1.00 0.00 O ATOM 460 CB ASP A 413 -1.904 -1.026 8.141 1.00 0.00 C ATOM 461 CG ASP A 413 -1.836 0.222 9.001 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.814 0.419 9.695 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.815 0.994 9.024 1.00 0.00 O ATOM 0 H ASP A 413 0.338 0.170 7.823 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.070 -1.891 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.949 -1.263 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.488 -1.864 8.699 1.00 0.00 H new ATOM 468 N VAL A 414 -2.566 -0.665 4.860 1.00 0.00 N ATOM 469 CA VAL A 414 -3.319 0.042 3.835 1.00 0.00 C ATOM 470 C VAL A 414 -4.746 0.299 4.279 1.00 0.00 C ATOM 471 O VAL A 414 -5.525 -0.632 4.490 1.00 0.00 O ATOM 472 CB VAL A 414 -3.349 -0.733 2.503 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.959 0.119 1.401 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.958 -1.191 2.117 1.00 0.00 C ATOM 0 H VAL A 414 -2.562 -1.679 4.754 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.806 0.991 3.681 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.973 -1.617 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.971 -0.446 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.979 0.391 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.365 1.023 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.003 -1.736 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.308 -0.324 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.561 -1.844 2.894 1.00 0.00 H new ATOM 484 N ALA A 415 -5.078 1.570 4.420 1.00 0.00 N ATOM 485 CA ALA A 415 -6.432 1.962 4.740 1.00 0.00 C ATOM 486 C ALA A 415 -7.240 2.151 3.462 1.00 0.00 C ATOM 487 O ALA A 415 -7.300 3.253 2.897 1.00 0.00 O ATOM 488 CB ALA A 415 -6.442 3.227 5.579 1.00 0.00 C ATOM 0 H ALA A 415 -4.425 2.347 4.317 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.894 1.168 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.471 3.504 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.898 3.052 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.964 4.035 5.025 1.00 0.00 H new ATOM 494 N CYS A 416 -7.824 1.065 2.986 1.00 0.00 N ATOM 495 CA CYS A 416 -8.636 1.108 1.785 1.00 0.00 C ATOM 496 C CYS A 416 -10.000 1.695 2.091 1.00 0.00 C ATOM 497 O CYS A 416 -10.569 1.457 3.158 1.00 0.00 O ATOM 498 CB CYS A 416 -8.815 -0.293 1.201 1.00 0.00 C ATOM 499 SG CYS A 416 -7.286 -1.274 1.105 1.00 0.00 S ATOM 0 H CYS A 416 -7.750 0.142 3.414 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.123 1.736 1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.541 -0.835 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.238 -0.204 0.200 1.00 0.00 H new ATOM 504 N HIS A 417 -10.504 2.478 1.153 1.00 0.00 N ATOM 505 CA HIS A 417 -11.834 3.039 1.249 1.00 0.00 C ATOM 506 C HIS A 417 -12.889 1.950 1.365 1.00 0.00 C ATOM 507 O HIS A 417 -12.718 0.856 0.835 1.00 0.00 O ATOM 508 CB HIS A 417 -12.156 3.956 0.058 1.00 0.00 C ATOM 509 CG HIS A 417 -11.589 3.589 -1.294 1.00 0.00 C ATOM 510 ND1 HIS A 417 -10.461 2.928 -1.660 1.00 0.00 N flip ATOM 511 CD2 HIS A 417 -12.191 3.973 -2.473 1.00 0.00 C flip ATOM 512 CE1 HIS A 417 -10.408 2.934 -3.032 1.00 0.00 C flip ATOM 513 NE2 HIS A 417 -11.463 3.568 -3.498 1.00 0.00 N flip ATOM 0 H HIS A 417 -10.001 2.741 0.306 1.00 0.00 H new ATOM 0 HA HIS A 417 -11.853 3.641 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.240 4.010 -0.038 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -11.808 4.959 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -13.118 4.522 -2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -9.627 2.490 -3.632 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.681 3.721 -4.483 1.00 0.00 H new ATOM 522 N PRO A 418 -13.988 2.265 2.071 1.00 0.00 N ATOM 523 CA PRO A 418 -15.094 1.335 2.329 1.00 0.00 C ATOM 524 C PRO A 418 -15.576 0.622 1.073 1.00 0.00 C ATOM 525 O PRO A 418 -15.993 1.258 0.100 1.00 0.00 O ATOM 526 CB PRO A 418 -16.188 2.248 2.878 1.00 0.00 C ATOM 527 CG PRO A 418 -15.451 3.358 3.529 1.00 0.00 C ATOM 528 CD PRO A 418 -14.240 3.586 2.678 1.00 0.00 C ATOM 0 HA PRO A 418 -14.800 0.531 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -16.836 2.615 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.824 1.722 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.065 4.257 3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.170 3.098 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -14.421 4.348 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.390 3.923 3.272 1.00 0.00 H new ATOM 536 N GLY A 419 -15.500 -0.700 1.101 1.00 0.00 N ATOM 537 CA GLY A 419 -15.914 -1.500 -0.031 1.00 0.00 C ATOM 538 C GLY A 419 -14.727 -2.017 -0.808 1.00 0.00 C ATOM 539 O GLY A 419 -14.873 -2.826 -1.725 1.00 0.00 O ATOM 0 H GLY A 419 -15.155 -1.237 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.516 -2.340 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.548 -0.903 -0.687 1.00 0.00 H new ATOM 543 N TYR A 420 -13.543 -1.548 -0.436 1.00 0.00 N ATOM 544 CA TYR A 420 -12.316 -1.920 -1.120 1.00 0.00 C ATOM 545 C TYR A 420 -11.345 -2.610 -0.166 1.00 0.00 C ATOM 546 O TYR A 420 -11.234 -2.232 0.999 1.00 0.00 O ATOM 547 CB TYR A 420 -11.669 -0.671 -1.728 1.00 0.00 C ATOM 548 CG TYR A 420 -12.544 0.013 -2.758 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.501 -0.370 -4.091 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.411 1.039 -2.399 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.296 0.247 -5.037 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.210 1.662 -3.341 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.147 1.262 -4.657 1.00 0.00 C ATOM 554 OH TYR A 420 -14.934 1.880 -5.598 1.00 0.00 O ATOM 0 H TYR A 420 -13.409 -0.904 0.343 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.560 -2.624 -1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.438 0.035 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.723 -0.949 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.835 -1.164 -4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.462 1.355 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.251 -0.065 -6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.879 2.457 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.477 2.573 -5.167 1.00 0.00 H new ATOM 564 N ALA A 421 -10.651 -3.621 -0.672 1.00 0.00 N ATOM 565 CA ALA A 421 -9.675 -4.369 0.115 1.00 0.00 C ATOM 566 C ALA A 421 -8.581 -4.900 -0.801 1.00 0.00 C ATOM 567 O ALA A 421 -8.774 -4.983 -2.009 1.00 0.00 O ATOM 568 CB ALA A 421 -10.356 -5.514 0.851 1.00 0.00 C ATOM 0 H ALA A 421 -10.747 -3.946 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.227 -3.706 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.616 -6.063 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.120 -5.115 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.820 -6.186 0.129 1.00 0.00 H new ATOM 574 N LEU A 422 -7.432 -5.244 -0.237 1.00 0.00 N ATOM 575 CA LEU A 422 -6.324 -5.744 -1.042 1.00 0.00 C ATOM 576 C LEU A 422 -6.605 -7.139 -1.580 1.00 0.00 C ATOM 577 O LEU A 422 -7.165 -7.993 -0.893 1.00 0.00 O ATOM 578 CB LEU A 422 -5.016 -5.740 -0.254 1.00 0.00 C ATOM 579 CG LEU A 422 -4.339 -4.375 -0.137 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.247 -4.405 0.919 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.757 -3.958 -1.476 1.00 0.00 C ATOM 0 H LEU A 422 -7.242 -5.188 0.764 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.220 -5.066 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.212 -6.119 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.322 -6.434 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.092 -3.646 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.778 -3.423 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.681 -4.666 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.497 -5.147 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.278 -2.984 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.020 -4.694 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.555 -3.897 -2.216 1.00 0.00 H new ATOM 593 N PRO A 423 -6.177 -7.364 -2.829 1.00 0.00 N ATOM 594 CA PRO A 423 -6.414 -8.597 -3.596 1.00 0.00 C ATOM 595 C PRO A 423 -5.912 -9.872 -2.935 1.00 0.00 C ATOM 596 O PRO A 423 -6.236 -10.978 -3.370 1.00 0.00 O ATOM 597 CB PRO A 423 -5.653 -8.356 -4.891 1.00 0.00 C ATOM 598 CG PRO A 423 -5.573 -6.888 -5.016 1.00 0.00 C ATOM 599 CD PRO A 423 -5.438 -6.378 -3.620 1.00 0.00 C ATOM 0 HA PRO A 423 -7.485 -8.768 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.660 -8.804 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.172 -8.797 -5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.720 -6.592 -5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.465 -6.485 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.394 -6.317 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.860 -5.379 -3.514 1.00 0.00 H new ATOM 607 N LYS A 424 -5.124 -9.722 -1.895 1.00 0.00 N ATOM 608 CA LYS A 424 -4.574 -10.867 -1.189 1.00 0.00 C ATOM 609 C LYS A 424 -5.074 -10.907 0.251 1.00 0.00 C ATOM 610 O LYS A 424 -4.446 -11.512 1.121 1.00 0.00 O ATOM 611 CB LYS A 424 -3.040 -10.854 -1.224 1.00 0.00 C ATOM 612 CG LYS A 424 -2.463 -10.868 -2.633 1.00 0.00 C ATOM 613 CD LYS A 424 -1.032 -11.381 -2.659 1.00 0.00 C ATOM 614 CE LYS A 424 -0.076 -10.489 -1.887 1.00 0.00 C ATOM 615 NZ LYS A 424 1.318 -11.013 -1.933 1.00 0.00 N ATOM 0 H LYS A 424 -4.846 -8.817 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.917 -11.767 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.680 -9.967 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.665 -11.720 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.084 -11.495 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.494 -9.860 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -1.003 -12.387 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.696 -11.457 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.101 -9.482 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.404 -10.414 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.945 -10.380 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.345 -11.964 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.639 -11.061 -2.921 1.00 0.00 H new ATOM 629 N ALA A 425 -6.209 -10.247 0.484 1.00 0.00 N ATOM 630 CA ALA A 425 -6.829 -10.182 1.809 1.00 0.00 C ATOM 631 C ALA A 425 -5.853 -9.625 2.843 1.00 0.00 C ATOM 632 O ALA A 425 -5.784 -10.098 3.977 1.00 0.00 O ATOM 633 CB ALA A 425 -7.342 -11.552 2.231 1.00 0.00 C ATOM 0 H ALA A 425 -6.724 -9.743 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.680 -9.503 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.799 -11.481 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.084 -11.900 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.511 -12.257 2.265 1.00 0.00 H new ATOM 639 N GLN A 426 -5.096 -8.624 2.429 1.00 0.00 N ATOM 640 CA GLN A 426 -4.097 -8.013 3.278 1.00 0.00 C ATOM 641 C GLN A 426 -4.608 -6.694 3.833 1.00 0.00 C ATOM 642 O GLN A 426 -5.438 -6.030 3.214 1.00 0.00 O ATOM 643 CB GLN A 426 -2.821 -7.773 2.470 1.00 0.00 C ATOM 644 CG GLN A 426 -2.142 -9.048 1.999 1.00 0.00 C ATOM 645 CD GLN A 426 -1.587 -9.868 3.145 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.433 -9.706 3.534 1.00 0.00 O ATOM 647 NE2 GLN A 426 -2.406 -10.750 3.697 1.00 0.00 N ATOM 0 H GLN A 426 -5.159 -8.215 1.497 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.883 -8.682 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.062 -7.159 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.119 -7.203 3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.857 -9.650 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.333 -8.793 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -3.357 -10.853 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -2.086 -11.326 4.475 1.00 0.00 H new ATOM 656 N THR A 427 -4.108 -6.324 4.998 1.00 0.00 N ATOM 657 CA THR A 427 -4.409 -5.032 5.586 1.00 0.00 C ATOM 658 C THR A 427 -3.140 -4.218 5.624 1.00 0.00 C ATOM 659 O THR A 427 -3.109 -3.096 6.120 1.00 0.00 O ATOM 660 CB THR A 427 -4.958 -5.175 7.015 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.220 -6.184 7.714 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.438 -5.525 7.002 1.00 0.00 C ATOM 0 H THR A 427 -3.486 -6.906 5.560 1.00 0.00 H new ATOM 0 HA THR A 427 -5.172 -4.543 4.980 1.00 0.00 H new ATOM 0 HB THR A 427 -4.844 -4.219 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.570 -6.273 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.798 -5.620 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.994 -4.737 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.584 -6.469 6.477 1.00 0.00 H new ATOM 670 N THR A 428 -2.094 -4.812 5.082 1.00 0.00 N ATOM 671 CA THR A 428 -0.765 -4.261 5.164 1.00 0.00 C ATOM 672 C THR A 428 -0.051 -4.397 3.823 1.00 0.00 C ATOM 673 O THR A 428 -0.408 -5.242 3.003 1.00 0.00 O ATOM 674 CB THR A 428 0.050 -5.008 6.233 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.786 -5.950 6.923 1.00 0.00 O ATOM 676 CG2 THR A 428 0.669 -4.044 7.232 1.00 0.00 C ATOM 0 H THR A 428 -2.148 -5.693 4.572 1.00 0.00 H new ATOM 0 HA THR A 428 -0.848 -3.207 5.429 1.00 0.00 H new ATOM 0 HB THR A 428 0.856 -5.539 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.258 -6.422 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.238 -4.604 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.333 -3.355 6.710 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.120 -3.480 7.730 1.00 0.00 H new ATOM 684 N VAL A 429 0.939 -3.556 3.600 1.00 0.00 N ATOM 685 CA VAL A 429 1.770 -3.652 2.419 1.00 0.00 C ATOM 686 C VAL A 429 3.214 -3.390 2.779 1.00 0.00 C ATOM 687 O VAL A 429 3.519 -2.503 3.576 1.00 0.00 O ATOM 688 CB VAL A 429 1.311 -2.683 1.310 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.332 -1.237 1.779 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.148 -2.846 0.078 1.00 0.00 C ATOM 0 H VAL A 429 1.188 -2.792 4.228 1.00 0.00 H new ATOM 0 HA VAL A 429 1.672 -4.665 2.028 1.00 0.00 H new ATOM 0 HB VAL A 429 0.279 -2.937 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.002 -0.587 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.663 -1.121 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.346 -0.965 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.805 -2.152 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.191 -2.637 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.058 -3.868 -0.290 1.00 0.00 H new ATOM 700 N THR A 430 4.105 -4.193 2.223 1.00 0.00 N ATOM 701 CA THR A 430 5.508 -4.043 2.515 1.00 0.00 C ATOM 702 C THR A 430 6.335 -4.075 1.249 1.00 0.00 C ATOM 703 O THR A 430 5.924 -4.654 0.251 1.00 0.00 O ATOM 704 CB THR A 430 6.024 -5.131 3.482 1.00 0.00 C ATOM 705 OG1 THR A 430 6.473 -6.286 2.754 1.00 0.00 O ATOM 706 CG2 THR A 430 4.947 -5.566 4.465 1.00 0.00 C ATOM 0 H THR A 430 3.879 -4.947 1.574 1.00 0.00 H new ATOM 0 HA THR A 430 5.617 -3.072 2.999 1.00 0.00 H new ATOM 0 HB THR A 430 6.854 -4.693 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.797 -6.964 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.348 -6.332 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.625 -4.708 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.096 -5.970 3.917 1.00 0.00 H new ATOM 714 N CYS A 431 7.495 -3.443 1.293 1.00 0.00 N ATOM 715 CA CYS A 431 8.379 -3.409 0.147 1.00 0.00 C ATOM 716 C CYS A 431 9.312 -4.612 0.179 1.00 0.00 C ATOM 717 O CYS A 431 10.153 -4.730 1.074 1.00 0.00 O ATOM 718 CB CYS A 431 9.181 -2.112 0.142 1.00 0.00 C ATOM 719 SG CYS A 431 10.054 -1.785 -1.418 1.00 0.00 S ATOM 0 H CYS A 431 7.845 -2.947 2.113 1.00 0.00 H new ATOM 0 HA CYS A 431 7.784 -3.451 -0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.508 -1.280 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.908 -2.144 0.953 1.00 0.00 H new ATOM 724 N MET A 432 9.151 -5.507 -0.788 1.00 0.00 N ATOM 725 CA MET A 432 9.902 -6.758 -0.808 1.00 0.00 C ATOM 726 C MET A 432 11.257 -6.587 -1.487 1.00 0.00 C ATOM 727 O MET A 432 12.263 -7.119 -1.020 1.00 0.00 O ATOM 728 CB MET A 432 9.086 -7.861 -1.498 1.00 0.00 C ATOM 729 CG MET A 432 8.966 -7.693 -3.001 1.00 0.00 C ATOM 730 SD MET A 432 7.933 -8.955 -3.778 1.00 0.00 S ATOM 731 CE MET A 432 8.749 -10.459 -3.240 1.00 0.00 C ATOM 0 H MET A 432 8.506 -5.390 -1.570 1.00 0.00 H new ATOM 0 HA MET A 432 10.087 -7.053 0.225 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.547 -8.826 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.086 -7.884 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.551 -6.709 -3.218 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.961 -7.724 -3.444 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.644 -11.225 -4.008 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.807 -10.258 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.293 -10.809 -2.314 1.00 0.00 H new ATOM 741 N GLU A 433 11.286 -5.826 -2.572 1.00 0.00 N ATOM 742 CA GLU A 433 12.510 -5.644 -3.338 1.00 0.00 C ATOM 743 C GLU A 433 12.340 -4.520 -4.346 1.00 0.00 C ATOM 744 O GLU A 433 12.923 -3.450 -4.195 1.00 0.00 O ATOM 745 CB GLU A 433 12.896 -6.938 -4.060 1.00 0.00 C ATOM 746 CG GLU A 433 14.185 -6.831 -4.860 1.00 0.00 C ATOM 747 CD GLU A 433 14.439 -8.053 -5.715 1.00 0.00 C ATOM 748 OE1 GLU A 433 14.941 -9.066 -5.185 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.138 -8.005 -6.926 1.00 0.00 O ATOM 0 H GLU A 433 10.477 -5.326 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 433 13.309 -5.382 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.000 -7.736 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.086 -7.225 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.141 -5.948 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.022 -6.689 -4.177 1.00 0.00 H new ATOM 756 N ASN A 434 11.527 -4.768 -5.363 1.00 0.00 N ATOM 757 CA ASN A 434 11.277 -3.772 -6.397 1.00 0.00 C ATOM 758 C ASN A 434 10.188 -2.815 -5.948 1.00 0.00 C ATOM 759 O ASN A 434 9.995 -1.748 -6.529 1.00 0.00 O ATOM 760 CB ASN A 434 10.895 -4.439 -7.728 1.00 0.00 C ATOM 761 CG ASN A 434 9.717 -5.398 -7.623 1.00 0.00 C ATOM 762 OD1 ASN A 434 8.814 -5.227 -6.802 1.00 0.00 O ATOM 763 ND2 ASN A 434 9.722 -6.426 -8.453 1.00 0.00 N ATOM 0 H ASN A 434 11.030 -5.649 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 434 12.196 -3.209 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.656 -3.664 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.759 -4.981 -8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.963 -7.107 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.485 -6.539 -9.121 1.00 0.00 H new ATOM 770 N GLY A 435 9.484 -3.208 -4.901 1.00 0.00 N ATOM 771 CA GLY A 435 8.433 -2.386 -4.359 1.00 0.00 C ATOM 772 C GLY A 435 7.531 -3.167 -3.430 1.00 0.00 C ATOM 773 O GLY A 435 7.930 -4.201 -2.887 1.00 0.00 O ATOM 0 H GLY A 435 9.626 -4.093 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.870 -1.546 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.841 -1.968 -5.174 1.00 0.00 H new ATOM 777 N TRP A 436 6.323 -2.666 -3.260 1.00 0.00 N ATOM 778 CA TRP A 436 5.321 -3.270 -2.392 1.00 0.00 C ATOM 779 C TRP A 436 4.926 -4.662 -2.903 1.00 0.00 C ATOM 780 O TRP A 436 4.586 -4.823 -4.074 1.00 0.00 O ATOM 781 CB TRP A 436 4.104 -2.356 -2.362 1.00 0.00 C ATOM 782 CG TRP A 436 4.420 -0.940 -1.970 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.353 0.164 -2.769 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.857 -0.478 -0.686 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.708 1.285 -2.059 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.022 0.917 -0.779 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.119 -1.109 0.530 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.432 1.690 0.302 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.530 -0.341 1.604 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.683 1.045 1.483 1.00 0.00 C ATOM 0 H TRP A 436 6.002 -1.817 -3.725 1.00 0.00 H new ATOM 0 HA TRP A 436 5.729 -3.389 -1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.637 -2.355 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.373 -2.762 -1.663 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.063 0.157 -3.809 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.733 2.236 -2.426 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.003 -2.178 0.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.548 2.760 0.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.736 -0.818 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.006 1.618 2.340 1.00 0.00 H new ATOM 801 N SER A 437 4.965 -5.650 -2.019 1.00 0.00 N ATOM 802 CA SER A 437 4.726 -7.038 -2.393 1.00 0.00 C ATOM 803 C SER A 437 3.232 -7.404 -2.429 1.00 0.00 C ATOM 804 O SER A 437 2.807 -8.135 -3.323 1.00 0.00 O ATOM 805 CB SER A 437 5.510 -7.969 -1.459 1.00 0.00 C ATOM 806 OG SER A 437 5.434 -7.538 -0.105 1.00 0.00 O ATOM 0 H SER A 437 5.162 -5.514 -1.028 1.00 0.00 H new ATOM 0 HA SER A 437 5.085 -7.169 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.118 -8.983 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.553 -8.005 -1.772 1.00 0.00 H new ATOM 0 HG SER A 437 5.023 -8.242 0.440 1.00 0.00 H new ATOM 812 N PRO A 438 2.402 -6.940 -1.461 1.00 0.00 N ATOM 813 CA PRO A 438 0.945 -7.107 -1.540 1.00 0.00 C ATOM 814 C PRO A 438 0.354 -6.339 -2.715 1.00 0.00 C ATOM 815 O PRO A 438 -0.768 -6.609 -3.140 1.00 0.00 O ATOM 816 CB PRO A 438 0.446 -6.507 -0.224 1.00 0.00 C ATOM 817 CG PRO A 438 1.615 -6.560 0.683 1.00 0.00 C ATOM 818 CD PRO A 438 2.785 -6.283 -0.200 1.00 0.00 C ATOM 0 HA PRO A 438 0.659 -8.148 -1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.099 -5.483 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.392 -7.076 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.534 -5.819 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.702 -7.535 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.947 -5.213 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.707 -6.697 0.208 1.00 0.00 H new ATOM 826 N THR A 439 1.137 -5.392 -3.229 1.00 0.00 N ATOM 827 CA THR A 439 0.716 -4.516 -4.313 1.00 0.00 C ATOM 828 C THR A 439 -0.479 -3.663 -3.878 1.00 0.00 C ATOM 829 O THR A 439 -1.628 -4.103 -3.931 1.00 0.00 O ATOM 830 CB THR A 439 0.366 -5.310 -5.589 1.00 0.00 C ATOM 831 OG1 THR A 439 1.411 -6.251 -5.883 1.00 0.00 O ATOM 832 CG2 THR A 439 0.178 -4.377 -6.778 1.00 0.00 C ATOM 0 H THR A 439 2.086 -5.213 -2.901 1.00 0.00 H new ATOM 0 HA THR A 439 1.556 -3.862 -4.549 1.00 0.00 H new ATOM 0 HB THR A 439 -0.569 -5.841 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.181 -6.752 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.068 -4.962 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.632 -3.679 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.099 -3.822 -6.954 1.00 0.00 H new ATOM 840 N PRO A 440 -0.209 -2.427 -3.441 1.00 0.00 N ATOM 841 CA PRO A 440 -1.228 -1.540 -2.885 1.00 0.00 C ATOM 842 C PRO A 440 -2.215 -1.049 -3.940 1.00 0.00 C ATOM 843 O PRO A 440 -2.043 0.016 -4.538 1.00 0.00 O ATOM 844 CB PRO A 440 -0.429 -0.378 -2.294 1.00 0.00 C ATOM 845 CG PRO A 440 0.898 -0.408 -2.975 1.00 0.00 C ATOM 846 CD PRO A 440 1.117 -1.806 -3.478 1.00 0.00 C ATOM 0 HA PRO A 440 -1.846 -2.051 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.935 0.572 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.317 -0.489 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.922 0.304 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.690 -0.121 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.525 -1.804 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.825 -2.346 -2.850 1.00 0.00 H new ATOM 854 N ARG A 441 -3.238 -1.856 -4.167 1.00 0.00 N ATOM 855 CA ARG A 441 -4.326 -1.511 -5.065 1.00 0.00 C ATOM 856 C ARG A 441 -5.596 -2.212 -4.594 1.00 0.00 C ATOM 857 O ARG A 441 -5.908 -3.328 -5.011 1.00 0.00 O ATOM 858 CB ARG A 441 -3.991 -1.880 -6.518 1.00 0.00 C ATOM 859 CG ARG A 441 -3.517 -3.315 -6.714 1.00 0.00 C ATOM 860 CD ARG A 441 -3.412 -3.665 -8.189 1.00 0.00 C ATOM 861 NE ARG A 441 -4.694 -3.499 -8.875 1.00 0.00 N ATOM 862 CZ ARG A 441 -5.497 -4.505 -9.208 1.00 0.00 C ATOM 863 NH1 ARG A 441 -5.133 -5.757 -8.967 1.00 0.00 N ATOM 864 NH2 ARG A 441 -6.655 -4.258 -9.806 1.00 0.00 N ATOM 0 H ARG A 441 -3.337 -2.773 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.481 -0.432 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.875 -1.716 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.218 -1.203 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.546 -3.448 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.210 -3.999 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.661 -3.031 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.072 -4.695 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.990 -2.552 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.234 -5.951 -8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.752 -6.526 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.929 -3.297 -10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -7.272 -5.029 -10.062 1.00 0.00 H new ATOM 878 N CYS A 442 -6.305 -1.559 -3.690 1.00 0.00 N ATOM 879 CA CYS A 442 -7.473 -2.148 -3.052 1.00 0.00 C ATOM 880 C CYS A 442 -8.619 -2.317 -4.041 1.00 0.00 C ATOM 881 O CYS A 442 -9.221 -1.338 -4.488 1.00 0.00 O ATOM 882 CB CYS A 442 -7.914 -1.281 -1.879 1.00 0.00 C ATOM 883 SG CYS A 442 -6.557 -0.853 -0.740 1.00 0.00 S ATOM 0 H CYS A 442 -6.091 -0.612 -3.378 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.198 -3.138 -2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.358 -0.363 -2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.693 -1.804 -1.324 1.00 0.00 H new ATOM 888 N ILE A 443 -8.901 -3.563 -4.379 1.00 0.00 N ATOM 889 CA ILE A 443 -9.981 -3.896 -5.279 1.00 0.00 C ATOM 890 C ILE A 443 -11.308 -3.922 -4.535 1.00 0.00 C ATOM 891 O ILE A 443 -11.349 -4.092 -3.315 1.00 0.00 O ATOM 892 CB ILE A 443 -9.739 -5.261 -5.954 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.250 -6.299 -4.936 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.742 -5.119 -7.096 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.179 -7.710 -5.488 1.00 0.00 C ATOM 0 H ILE A 443 -8.384 -4.371 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.018 -3.127 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.687 -5.611 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.262 -6.008 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.915 -6.289 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.582 -6.091 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.134 -4.422 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.796 -4.742 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.825 -8.387 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.170 -8.022 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.491 -7.736 -6.333 1.00 0.00 H new ATOM 907 N ARG A 444 -12.388 -3.734 -5.271 1.00 0.00 N ATOM 908 CA ARG A 444 -13.701 -3.667 -4.700 1.00 0.00 C ATOM 909 C ARG A 444 -14.207 -5.044 -4.326 1.00 0.00 C ATOM 910 O ARG A 444 -14.266 -5.953 -5.156 1.00 0.00 O ATOM 911 CB ARG A 444 -14.623 -2.997 -5.703 1.00 0.00 C ATOM 912 CG ARG A 444 -16.041 -2.898 -5.231 1.00 0.00 C ATOM 913 CD ARG A 444 -16.903 -2.130 -6.216 1.00 0.00 C ATOM 914 NE ARG A 444 -18.289 -2.046 -5.778 1.00 0.00 N ATOM 915 CZ ARG A 444 -19.227 -1.344 -6.397 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.930 -0.621 -7.471 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.467 -1.356 -5.930 1.00 0.00 N ATOM 0 H ARG A 444 -12.368 -3.624 -6.285 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.672 -3.083 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.248 -1.996 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.597 -3.555 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.450 -3.899 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.069 -2.404 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.501 -1.125 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.860 -2.615 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.556 -2.562 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.974 -0.603 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.658 -0.084 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.694 -1.903 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.195 -0.818 -6.401 1.00 0.00 H new ATOM 931 N VAL A 445 -14.577 -5.178 -3.067 1.00 0.00 N ATOM 932 CA VAL A 445 -15.005 -6.447 -2.527 1.00 0.00 C ATOM 933 C VAL A 445 -16.533 -6.538 -2.506 1.00 0.00 C ATOM 934 O VAL A 445 -17.104 -7.627 -2.434 1.00 0.00 O ATOM 935 CB VAL A 445 -14.427 -6.657 -1.110 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.114 -5.763 -0.085 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.502 -8.121 -0.697 1.00 0.00 C ATOM 0 H VAL A 445 -14.588 -4.411 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.625 -7.239 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.376 -6.370 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.681 -5.939 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.974 -4.718 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.179 -5.992 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -14.088 -8.238 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.542 -8.447 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.930 -8.727 -1.399 1.00 0.00 H new ATOM 947 N LYS A 446 -17.191 -5.391 -2.572 1.00 0.00 N ATOM 948 CA LYS A 446 -18.643 -5.352 -2.635 1.00 0.00 C ATOM 949 C LYS A 446 -19.083 -4.379 -3.715 1.00 0.00 C ATOM 950 O LYS A 446 -19.427 -4.838 -4.820 1.00 0.00 O ATOM 951 CB LYS A 446 -19.251 -4.950 -1.287 1.00 0.00 C ATOM 952 CG LYS A 446 -20.773 -4.945 -1.301 1.00 0.00 C ATOM 953 CD LYS A 446 -21.367 -4.548 0.042 1.00 0.00 C ATOM 954 CE LYS A 446 -21.053 -5.565 1.127 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.887 -5.353 2.339 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.048 -3.158 -3.469 1.00 0.00 O ATOM 0 H LYS A 446 -16.742 -4.475 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 446 -19.000 -6.353 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.902 -5.638 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.892 -3.958 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -21.124 -4.255 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -21.134 -5.936 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.979 -3.573 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -22.448 -4.445 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.220 -6.571 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -19.999 -5.497 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -21.644 -6.066 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -21.709 -4.402 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -22.892 -5.443 2.089 1.00 0.00 H new TER 970 LYS A 446