USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 468 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 NoAdj-H: A 210 HIS HE2 : A 210 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 238 HIS HE2 : A 238 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 184 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.6!) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 10:sc= 0.389 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -21:sc= 0.629 USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.116 K(o=-0.12,f=-1!) USER MOD Single : A 223 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.9!) USER MOD Single : A 224 GLN : amide:sc=-0.00101 K(o=-0.001,f=-1.9!) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 SER OG : rot 150:sc= 0.282 USER MOD Single : A 244 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.1) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -25.850 -9.041 8.284 1.00 0.00 N ATOM 2 CA GLY A 183 -26.746 -9.941 7.581 1.00 0.00 C ATOM 3 C GLY A 183 -27.953 -9.226 7.008 1.00 0.00 C ATOM 4 O GLY A 183 -27.895 -8.681 5.905 1.00 0.00 O ATOM 0 HA2 GLY A 183 -26.202 -10.433 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -27.080 -10.722 8.263 1.00 0.00 H new ATOM 8 N SER A 184 -29.052 -9.229 7.756 1.00 0.00 N ATOM 9 CA SER A 184 -30.281 -8.581 7.313 1.00 0.00 C ATOM 10 C SER A 184 -30.029 -7.115 6.974 1.00 0.00 C ATOM 11 O SER A 184 -30.479 -6.620 5.940 1.00 0.00 O ATOM 12 CB SER A 184 -31.357 -8.688 8.395 1.00 0.00 C ATOM 13 OG SER A 184 -30.937 -8.067 9.597 1.00 0.00 O ATOM 0 H SER A 184 -29.116 -9.673 8.672 1.00 0.00 H new ATOM 0 HA SER A 184 -30.628 -9.090 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 184 -32.277 -8.222 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 184 -31.583 -9.737 8.584 1.00 0.00 H new ATOM 0 HG SER A 184 -31.643 -8.148 10.271 1.00 0.00 H new ATOM 19 N SER A 185 -29.307 -6.426 7.852 1.00 0.00 N ATOM 20 CA SER A 185 -28.999 -5.016 7.648 1.00 0.00 C ATOM 21 C SER A 185 -27.690 -4.851 6.882 1.00 0.00 C ATOM 22 O SER A 185 -27.608 -4.076 5.930 1.00 0.00 O ATOM 23 CB SER A 185 -28.909 -4.292 8.994 1.00 0.00 C ATOM 24 OG SER A 185 -28.439 -2.966 8.829 1.00 0.00 O ATOM 0 H SER A 185 -28.925 -6.821 8.711 1.00 0.00 H new ATOM 0 HA SER A 185 -29.803 -4.576 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 185 -29.890 -4.277 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 185 -28.241 -4.838 9.660 1.00 0.00 H new ATOM 0 HG SER A 185 -28.392 -2.525 9.703 1.00 0.00 H new ATOM 30 N GLY A 186 -26.667 -5.587 7.305 1.00 0.00 N ATOM 31 CA GLY A 186 -25.375 -5.509 6.648 1.00 0.00 C ATOM 32 C GLY A 186 -25.372 -6.186 5.291 1.00 0.00 C ATOM 33 O GLY A 186 -25.542 -5.531 4.263 1.00 0.00 O ATOM 0 H GLY A 186 -26.710 -6.236 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -25.094 -4.463 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -24.620 -5.972 7.283 1.00 0.00 H new ATOM 37 N SER A 187 -25.178 -7.501 5.288 1.00 0.00 N ATOM 38 CA SER A 187 -25.148 -8.266 4.047 1.00 0.00 C ATOM 39 C SER A 187 -25.400 -9.746 4.315 1.00 0.00 C ATOM 40 O SER A 187 -24.625 -10.403 5.010 1.00 0.00 O ATOM 41 CB SER A 187 -23.802 -8.085 3.344 1.00 0.00 C ATOM 42 OG SER A 187 -23.816 -8.674 2.055 1.00 0.00 O ATOM 0 H SER A 187 -25.039 -8.059 6.131 1.00 0.00 H new ATOM 0 HA SER A 187 -25.941 -7.892 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 187 -23.572 -7.023 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 187 -23.011 -8.535 3.944 1.00 0.00 H new ATOM 0 HG SER A 187 -22.945 -8.543 1.626 1.00 0.00 H new ATOM 48 N SER A 188 -26.490 -10.265 3.758 1.00 0.00 N ATOM 49 CA SER A 188 -26.847 -11.667 3.940 1.00 0.00 C ATOM 50 C SER A 188 -26.184 -12.539 2.877 1.00 0.00 C ATOM 51 O SER A 188 -26.722 -12.726 1.787 1.00 0.00 O ATOM 52 CB SER A 188 -28.366 -11.840 3.881 1.00 0.00 C ATOM 53 OG SER A 188 -28.784 -12.944 4.665 1.00 0.00 O ATOM 0 H SER A 188 -27.141 -9.736 3.177 1.00 0.00 H new ATOM 0 HA SER A 188 -26.489 -11.983 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 188 -28.853 -10.932 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 188 -28.679 -11.985 2.847 1.00 0.00 H new ATOM 0 HG SER A 188 -29.759 -13.032 4.612 1.00 0.00 H new ATOM 59 N GLY A 189 -25.010 -13.070 3.205 1.00 0.00 N ATOM 60 CA GLY A 189 -24.291 -13.916 2.270 1.00 0.00 C ATOM 61 C GLY A 189 -22.792 -13.886 2.495 1.00 0.00 C ATOM 62 O GLY A 189 -22.145 -14.931 2.559 1.00 0.00 O ATOM 0 H GLY A 189 -24.544 -12.929 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -24.649 -14.941 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -24.509 -13.594 1.252 1.00 0.00 H new ATOM 66 N LYS A 190 -22.238 -12.685 2.615 1.00 0.00 N ATOM 67 CA LYS A 190 -20.805 -12.521 2.834 1.00 0.00 C ATOM 68 C LYS A 190 -20.537 -11.561 3.988 1.00 0.00 C ATOM 69 O LYS A 190 -21.209 -10.539 4.127 1.00 0.00 O ATOM 70 CB LYS A 190 -20.129 -12.006 1.561 1.00 0.00 C ATOM 71 CG LYS A 190 -20.051 -13.041 0.452 1.00 0.00 C ATOM 72 CD LYS A 190 -19.186 -12.559 -0.701 1.00 0.00 C ATOM 73 CE LYS A 190 -18.948 -13.664 -1.718 1.00 0.00 C ATOM 74 NZ LYS A 190 -17.999 -13.241 -2.785 1.00 0.00 N ATOM 0 H LYS A 190 -22.759 -11.810 2.564 1.00 0.00 H new ATOM 0 HA LYS A 190 -20.389 -13.495 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -20.675 -11.136 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -19.121 -11.671 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -19.644 -13.971 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -21.054 -13.262 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -19.667 -11.711 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -18.230 -12.205 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -18.555 -14.545 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -19.897 -13.952 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -17.863 -14.022 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -18.385 -12.415 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -17.085 -12.990 -2.357 1.00 0.00 H new ATOM 88 N ARG A 191 -19.551 -11.896 4.814 1.00 0.00 N ATOM 89 CA ARG A 191 -19.195 -11.063 5.956 1.00 0.00 C ATOM 90 C ARG A 191 -17.861 -10.360 5.721 1.00 0.00 C ATOM 91 O ARG A 191 -17.073 -10.767 4.867 1.00 0.00 O ATOM 92 CB ARG A 191 -19.119 -11.910 7.228 1.00 0.00 C ATOM 93 CG ARG A 191 -18.863 -11.097 8.486 1.00 0.00 C ATOM 94 CD ARG A 191 -19.254 -11.869 9.737 1.00 0.00 C ATOM 95 NE ARG A 191 -19.513 -10.982 10.868 1.00 0.00 N ATOM 96 CZ ARG A 191 -19.413 -11.362 12.137 1.00 0.00 C ATOM 97 NH1 ARG A 191 -19.060 -12.605 12.435 1.00 0.00 N ATOM 98 NH2 ARG A 191 -19.665 -10.497 13.112 1.00 0.00 N ATOM 0 H ARG A 191 -18.985 -12.738 4.713 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.970 -10.306 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -20.053 -12.460 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -18.326 -12.649 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -17.808 -10.828 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -19.428 -10.166 8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -20.144 -12.465 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -18.457 -12.565 9.997 1.00 0.00 H new ATOM 0 HE ARG A 191 -19.785 -10.019 10.673 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -18.864 -13.272 11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -18.984 -12.894 13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -19.936 -9.540 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -19.588 -10.790 14.086 1.00 0.00 H new ATOM 112 N THR A 192 -17.614 -9.299 6.484 1.00 0.00 N ATOM 113 CA THR A 192 -16.378 -8.538 6.358 1.00 0.00 C ATOM 114 C THR A 192 -15.485 -8.734 7.578 1.00 0.00 C ATOM 115 O THR A 192 -15.964 -8.759 8.711 1.00 0.00 O ATOM 116 CB THR A 192 -16.660 -7.034 6.180 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.677 -6.614 7.097 1.00 0.00 O ATOM 118 CG2 THR A 192 -17.099 -6.732 4.755 1.00 0.00 C ATOM 0 H THR A 192 -18.255 -8.948 7.196 1.00 0.00 H new ATOM 0 HA THR A 192 -15.866 -8.912 5.472 1.00 0.00 H new ATOM 0 HB THR A 192 -15.740 -6.487 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.849 -5.657 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.293 -5.664 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.311 -7.026 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 192 -18.008 -7.289 4.529 1.00 0.00 H new ATOM 126 N GLN A 193 -14.185 -8.873 7.337 1.00 0.00 N ATOM 127 CA GLN A 193 -13.225 -9.067 8.417 1.00 0.00 C ATOM 128 C GLN A 193 -12.303 -7.860 8.550 1.00 0.00 C ATOM 129 O GLN A 193 -11.375 -7.667 7.765 1.00 0.00 O ATOM 130 CB GLN A 193 -12.398 -10.331 8.172 1.00 0.00 C ATOM 131 CG GLN A 193 -13.139 -11.616 8.503 1.00 0.00 C ATOM 132 CD GLN A 193 -13.424 -11.761 9.984 1.00 0.00 C ATOM 133 OE1 GLN A 193 -13.303 -10.803 10.748 1.00 0.00 O ATOM 134 NE2 GLN A 193 -13.805 -12.964 10.399 1.00 0.00 N ATOM 0 H GLN A 193 -13.773 -8.855 6.404 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.782 -9.180 9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -12.091 -10.357 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.488 -10.282 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -14.079 -11.641 7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.549 -12.468 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -13.892 -13.730 9.731 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -14.010 -13.122 11.386 1.00 0.00 H new ATOM 143 N PRO A 194 -12.564 -7.025 9.567 1.00 0.00 N ATOM 144 CA PRO A 194 -11.768 -5.821 9.827 1.00 0.00 C ATOM 145 C PRO A 194 -10.366 -6.150 10.327 1.00 0.00 C ATOM 146 O PRO A 194 -10.183 -6.549 11.478 1.00 0.00 O ATOM 147 CB PRO A 194 -12.567 -5.096 10.913 1.00 0.00 C ATOM 148 CG PRO A 194 -13.336 -6.171 11.600 1.00 0.00 C ATOM 149 CD PRO A 194 -13.654 -7.192 10.543 1.00 0.00 C ATOM 0 HA PRO A 194 -11.616 -5.230 8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.908 -4.575 11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.232 -4.347 10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.752 -6.614 12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.248 -5.774 12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.675 -8.202 10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.629 -7.012 10.091 1.00 0.00 H new ATOM 157 N CYS A 195 -9.377 -5.979 9.456 1.00 0.00 N ATOM 158 CA CYS A 195 -7.990 -6.258 9.809 1.00 0.00 C ATOM 159 C CYS A 195 -7.569 -5.453 11.035 1.00 0.00 C ATOM 160 O CYS A 195 -7.874 -4.265 11.148 1.00 0.00 O ATOM 161 CB CYS A 195 -7.068 -5.934 8.631 1.00 0.00 C ATOM 162 SG CYS A 195 -5.345 -6.477 8.866 1.00 0.00 S ATOM 0 H CYS A 195 -9.510 -5.648 8.500 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.907 -7.319 10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.466 -6.403 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.079 -4.858 8.460 1.00 0.00 H new ATOM 167 N THR A 196 -6.864 -6.109 11.953 1.00 0.00 N ATOM 168 CA THR A 196 -6.402 -5.456 13.171 1.00 0.00 C ATOM 169 C THR A 196 -5.092 -4.713 12.933 1.00 0.00 C ATOM 170 O THR A 196 -4.703 -3.852 13.723 1.00 0.00 O ATOM 171 CB THR A 196 -6.202 -6.472 14.311 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.472 -6.942 14.777 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.432 -5.847 15.465 1.00 0.00 C ATOM 0 H THR A 196 -6.601 -7.091 11.875 1.00 0.00 H new ATOM 0 HA THR A 196 -7.174 -4.743 13.460 1.00 0.00 H new ATOM 0 HB THR A 196 -5.625 -7.311 13.923 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.336 -7.589 15.501 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.303 -6.584 16.258 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.454 -5.517 15.114 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.986 -4.992 15.851 1.00 0.00 H new ATOM 181 N TYR A 197 -4.417 -5.049 11.839 1.00 0.00 N ATOM 182 CA TYR A 197 -3.149 -4.414 11.498 1.00 0.00 C ATOM 183 C TYR A 197 -3.379 -3.043 10.871 1.00 0.00 C ATOM 184 O TYR A 197 -3.076 -2.012 11.473 1.00 0.00 O ATOM 185 CB TYR A 197 -2.353 -5.300 10.539 1.00 0.00 C ATOM 186 CG TYR A 197 -1.518 -6.350 11.236 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.111 -7.314 12.042 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.137 -6.378 11.089 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.352 -8.275 12.681 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.630 -7.336 11.723 1.00 0.00 C ATOM 191 CZ TYR A 197 0.017 -8.283 12.518 1.00 0.00 C ATOM 192 OH TYR A 197 0.778 -9.238 13.153 1.00 0.00 O ATOM 0 H TYR A 197 -4.727 -5.757 11.173 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.578 -4.282 12.417 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -3.044 -5.793 9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.700 -4.671 9.934 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.183 -7.312 12.171 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.346 -5.638 10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.829 -9.016 13.305 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.703 -7.344 11.597 1.00 0.00 H new ATOM 0 HH TYR A 197 1.723 -9.103 12.932 1.00 0.00 H new ATOM 202 N CYS A 198 -3.916 -3.038 9.656 1.00 0.00 N ATOM 203 CA CYS A 198 -4.188 -1.795 8.944 1.00 0.00 C ATOM 204 C CYS A 198 -5.472 -1.146 9.452 1.00 0.00 C ATOM 205 O CYS A 198 -5.850 -0.060 9.011 1.00 0.00 O ATOM 206 CB CYS A 198 -4.297 -2.057 7.441 1.00 0.00 C ATOM 207 SG CYS A 198 -5.511 -3.340 6.995 1.00 0.00 S ATOM 0 H CYS A 198 -4.172 -3.882 9.143 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.359 -1.112 9.128 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.566 -1.127 6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.318 -2.351 7.063 1.00 0.00 H new ATOM 212 N THR A 199 -6.140 -1.819 10.385 1.00 0.00 N ATOM 213 CA THR A 199 -7.381 -1.309 10.953 1.00 0.00 C ATOM 214 C THR A 199 -8.359 -0.898 9.859 1.00 0.00 C ATOM 215 O THR A 199 -9.009 0.143 9.951 1.00 0.00 O ATOM 216 CB THR A 199 -7.123 -0.103 11.876 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.540 0.970 11.128 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.203 -0.487 13.024 1.00 0.00 C ATOM 0 H THR A 199 -5.842 -2.718 10.763 1.00 0.00 H new ATOM 0 HA THR A 199 -7.816 -2.119 11.539 1.00 0.00 H new ATOM 0 HB THR A 199 -8.078 0.220 12.290 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.586 0.764 10.171 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.036 0.381 13.662 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.663 -1.284 13.608 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.250 -0.834 12.626 1.00 0.00 H new ATOM 226 N LYS A 200 -8.460 -1.723 8.822 1.00 0.00 N ATOM 227 CA LYS A 200 -9.360 -1.446 7.709 1.00 0.00 C ATOM 228 C LYS A 200 -10.433 -2.525 7.596 1.00 0.00 C ATOM 229 O LYS A 200 -10.433 -3.494 8.355 1.00 0.00 O ATOM 230 CB LYS A 200 -8.573 -1.356 6.399 1.00 0.00 C ATOM 231 CG LYS A 200 -7.980 0.017 6.140 1.00 0.00 C ATOM 232 CD LYS A 200 -8.946 0.906 5.374 1.00 0.00 C ATOM 233 CE LYS A 200 -8.323 2.255 5.048 1.00 0.00 C ATOM 234 NZ LYS A 200 -8.536 3.244 6.140 1.00 0.00 N ATOM 0 H LYS A 200 -7.929 -2.589 8.729 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.848 -0.490 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.769 -2.092 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.230 -1.621 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -7.724 0.489 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.053 -0.086 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -9.245 0.410 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -9.851 1.055 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.254 2.129 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -8.752 2.639 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -8.096 4.150 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -9.556 3.384 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -8.105 2.890 7.018 1.00 0.00 H new ATOM 248 N GLU A 201 -11.344 -2.351 6.644 1.00 0.00 N ATOM 249 CA GLU A 201 -12.421 -3.310 6.433 1.00 0.00 C ATOM 250 C GLU A 201 -12.238 -4.052 5.112 1.00 0.00 C ATOM 251 O GLU A 201 -12.294 -3.452 4.038 1.00 0.00 O ATOM 252 CB GLU A 201 -13.777 -2.601 6.449 1.00 0.00 C ATOM 253 CG GLU A 201 -14.030 -1.800 7.715 1.00 0.00 C ATOM 254 CD GLU A 201 -15.505 -1.554 7.965 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.318 -2.446 7.646 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.846 -0.468 8.479 1.00 0.00 O ATOM 0 H GLU A 201 -11.357 -1.555 6.007 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.390 -4.036 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.839 -1.934 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.567 -3.343 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.604 -2.330 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.513 -0.843 7.644 1.00 0.00 H new ATOM 263 N PHE A 202 -12.020 -5.360 5.199 1.00 0.00 N ATOM 264 CA PHE A 202 -11.827 -6.184 4.012 1.00 0.00 C ATOM 265 C PHE A 202 -12.577 -7.506 4.140 1.00 0.00 C ATOM 266 O PHE A 202 -12.670 -8.078 5.226 1.00 0.00 O ATOM 267 CB PHE A 202 -10.337 -6.449 3.786 1.00 0.00 C ATOM 268 CG PHE A 202 -9.540 -5.205 3.516 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.800 -4.429 2.398 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.533 -4.811 4.382 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.067 -3.284 2.148 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.797 -3.666 4.137 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.066 -2.902 3.018 1.00 0.00 C ATOM 0 H PHE A 202 -11.973 -5.872 6.080 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.226 -5.642 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.928 -6.949 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.222 -7.134 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.584 -4.722 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.320 -5.405 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.278 -2.688 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.014 -3.370 4.819 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.494 -2.007 2.824 1.00 0.00 H new ATOM 283 N VAL A 203 -13.113 -7.987 3.022 1.00 0.00 N ATOM 284 CA VAL A 203 -13.855 -9.242 3.007 1.00 0.00 C ATOM 285 C VAL A 203 -12.929 -10.430 3.240 1.00 0.00 C ATOM 286 O VAL A 203 -11.727 -10.354 2.984 1.00 0.00 O ATOM 287 CB VAL A 203 -14.599 -9.438 1.673 1.00 0.00 C ATOM 288 CG1 VAL A 203 -13.621 -9.790 0.563 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.668 -10.511 1.813 1.00 0.00 C ATOM 0 H VAL A 203 -13.047 -7.526 2.115 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.584 -9.189 3.816 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.089 -8.501 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.165 -9.925 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -12.896 -8.984 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -13.100 -10.714 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -16.184 -10.637 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.202 -11.454 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -16.385 -10.213 2.578 1.00 0.00 H new ATOM 299 N PHE A 204 -13.496 -11.529 3.727 1.00 0.00 N ATOM 300 CA PHE A 204 -12.722 -12.735 3.995 1.00 0.00 C ATOM 301 C PHE A 204 -12.138 -13.304 2.706 1.00 0.00 C ATOM 302 O PHE A 204 -11.126 -14.006 2.726 1.00 0.00 O ATOM 303 CB PHE A 204 -13.597 -13.787 4.680 1.00 0.00 C ATOM 304 CG PHE A 204 -14.289 -14.709 3.718 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.370 -14.268 2.971 1.00 0.00 C ATOM 306 CD2 PHE A 204 -13.860 -16.017 3.561 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.009 -15.114 2.085 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.496 -16.867 2.676 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.572 -16.416 1.938 1.00 0.00 C ATOM 0 H PHE A 204 -14.489 -11.609 3.944 1.00 0.00 H new ATOM 0 HA PHE A 204 -11.900 -12.468 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -12.979 -14.378 5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.346 -13.283 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -15.717 -13.251 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.020 -16.376 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.849 -14.758 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.151 -17.884 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.071 -17.080 1.247 1.00 0.00 H new ATOM 319 N ASP A 205 -12.782 -12.997 1.586 1.00 0.00 N ATOM 320 CA ASP A 205 -12.328 -13.477 0.286 1.00 0.00 C ATOM 321 C ASP A 205 -10.986 -12.853 -0.085 1.00 0.00 C ATOM 322 O ASP A 205 -10.196 -13.444 -0.823 1.00 0.00 O ATOM 323 CB ASP A 205 -13.367 -13.159 -0.791 1.00 0.00 C ATOM 324 CG ASP A 205 -13.317 -14.135 -1.950 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.948 -15.307 -1.724 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.646 -13.727 -3.083 1.00 0.00 O ATOM 0 H ASP A 205 -13.621 -12.418 1.552 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.201 -14.558 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.363 -13.177 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.202 -12.148 -1.164 1.00 0.00 H new ATOM 331 N THR A 206 -10.734 -11.654 0.430 1.00 0.00 N ATOM 332 CA THR A 206 -9.490 -10.948 0.152 1.00 0.00 C ATOM 333 C THR A 206 -8.495 -11.116 1.295 1.00 0.00 C ATOM 334 O THR A 206 -7.291 -11.245 1.068 1.00 0.00 O ATOM 335 CB THR A 206 -9.736 -9.446 -0.083 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.351 -8.864 1.071 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.620 -9.226 -1.301 1.00 0.00 C ATOM 0 H THR A 206 -11.376 -11.151 1.043 1.00 0.00 H new ATOM 0 HA THR A 206 -9.074 -11.386 -0.755 1.00 0.00 H new ATOM 0 HB THR A 206 -8.774 -8.967 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.778 -9.567 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.780 -8.158 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.135 -9.644 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.580 -9.719 -1.147 1.00 0.00 H new ATOM 345 N ILE A 207 -9.005 -11.115 2.521 1.00 0.00 N ATOM 346 CA ILE A 207 -8.160 -11.270 3.699 1.00 0.00 C ATOM 347 C ILE A 207 -7.048 -12.282 3.449 1.00 0.00 C ATOM 348 O ILE A 207 -5.980 -12.208 4.057 1.00 0.00 O ATOM 349 CB ILE A 207 -8.980 -11.716 4.925 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.274 -11.299 6.217 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.198 -13.221 4.896 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.430 -9.830 6.543 1.00 0.00 C ATOM 0 H ILE A 207 -9.999 -11.009 2.725 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.720 -10.294 3.902 1.00 0.00 H new ATOM 0 HB ILE A 207 -9.953 -11.227 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.668 -11.890 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.213 -11.534 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.779 -13.521 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.738 -13.493 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.234 -13.729 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.904 -9.605 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.010 -9.231 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.488 -9.593 6.659 1.00 0.00 H new ATOM 364 N GLN A 208 -7.306 -13.227 2.550 1.00 0.00 N ATOM 365 CA GLN A 208 -6.325 -14.254 2.219 1.00 0.00 C ATOM 366 C GLN A 208 -5.081 -13.636 1.589 1.00 0.00 C ATOM 367 O GLN A 208 -3.967 -13.825 2.076 1.00 0.00 O ATOM 368 CB GLN A 208 -6.936 -15.284 1.267 1.00 0.00 C ATOM 369 CG GLN A 208 -8.129 -16.020 1.853 1.00 0.00 C ATOM 370 CD GLN A 208 -7.724 -17.101 2.835 1.00 0.00 C ATOM 371 OE1 GLN A 208 -7.528 -16.837 4.021 1.00 0.00 O ATOM 372 NE2 GLN A 208 -7.595 -18.329 2.345 1.00 0.00 N ATOM 0 H GLN A 208 -8.185 -13.303 2.038 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.032 -14.753 3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.244 -14.781 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.171 -16.010 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.781 -15.305 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.708 -16.467 1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -7.767 -18.504 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -7.324 -19.097 2.959 1.00 0.00 H new ATOM 381 N SER A 209 -5.280 -12.896 0.502 1.00 0.00 N ATOM 382 CA SER A 209 -4.174 -12.253 -0.198 1.00 0.00 C ATOM 383 C SER A 209 -3.756 -10.968 0.510 1.00 0.00 C ATOM 384 O SER A 209 -2.567 -10.687 0.661 1.00 0.00 O ATOM 385 CB SER A 209 -4.567 -11.948 -1.644 1.00 0.00 C ATOM 386 OG SER A 209 -3.437 -11.985 -2.499 1.00 0.00 O ATOM 0 H SER A 209 -6.197 -12.727 0.088 1.00 0.00 H new ATOM 0 HA SER A 209 -3.327 -12.939 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.307 -12.672 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.035 -10.965 -1.697 1.00 0.00 H new ATOM 0 HG SER A 209 -3.715 -11.788 -3.418 1.00 0.00 H new ATOM 392 N HIS A 210 -4.744 -10.191 0.943 1.00 0.00 N ATOM 393 CA HIS A 210 -4.481 -8.935 1.636 1.00 0.00 C ATOM 394 C HIS A 210 -3.324 -9.089 2.619 1.00 0.00 C ATOM 395 O HIS A 210 -2.400 -8.276 2.637 1.00 0.00 O ATOM 396 CB HIS A 210 -5.734 -8.463 2.375 1.00 0.00 C ATOM 397 CG HIS A 210 -5.449 -7.482 3.471 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.172 -6.152 3.237 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.402 -7.645 4.814 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.965 -5.539 4.389 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.099 -6.422 5.361 1.00 0.00 N ATOM 0 H HIS A 210 -5.734 -10.409 0.826 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.205 -8.189 0.891 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.418 -8.007 1.659 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.245 -9.329 2.797 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.133 -5.710 2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.571 -8.565 5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.727 -4.493 4.514 1.00 0.00 H new ATOM 409 N GLN A 211 -3.383 -10.136 3.436 1.00 0.00 N ATOM 410 CA GLN A 211 -2.341 -10.395 4.422 1.00 0.00 C ATOM 411 C GLN A 211 -0.971 -9.995 3.884 1.00 0.00 C ATOM 412 O GLN A 211 -0.138 -9.460 4.616 1.00 0.00 O ATOM 413 CB GLN A 211 -2.337 -11.873 4.815 1.00 0.00 C ATOM 414 CG GLN A 211 -3.328 -12.213 5.917 1.00 0.00 C ATOM 415 CD GLN A 211 -3.405 -13.701 6.194 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.534 -14.266 6.857 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.450 -14.345 5.687 1.00 0.00 N ATOM 0 H GLN A 211 -4.141 -10.818 3.434 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.554 -9.793 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.564 -12.475 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.335 -12.151 5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.042 -11.692 6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.316 -11.848 5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -5.148 -13.837 5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.555 -15.348 5.841 1.00 0.00 H new ATOM 426 N TYR A 212 -0.745 -10.260 2.602 1.00 0.00 N ATOM 427 CA TYR A 212 0.526 -9.930 1.967 1.00 0.00 C ATOM 428 C TYR A 212 0.638 -8.429 1.720 1.00 0.00 C ATOM 429 O TYR A 212 1.678 -7.824 1.978 1.00 0.00 O ATOM 430 CB TYR A 212 0.671 -10.688 0.646 1.00 0.00 C ATOM 431 CG TYR A 212 1.138 -12.116 0.816 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.243 -13.125 1.150 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.474 -12.456 0.641 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.666 -14.431 1.306 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.905 -13.760 0.794 1.00 0.00 C ATOM 436 CZ TYR A 212 1.997 -14.744 1.127 1.00 0.00 C ATOM 437 OH TYR A 212 2.422 -16.043 1.280 1.00 0.00 O ATOM 0 H TYR A 212 -1.424 -10.702 1.983 1.00 0.00 H new ATOM 0 HA TYR A 212 1.329 -10.230 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.289 -10.687 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.377 -10.157 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.801 -12.884 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 212 3.188 -11.688 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.043 -15.203 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.947 -14.008 0.654 1.00 0.00 H new ATOM 0 HH TYR A 212 3.387 -16.093 1.118 1.00 0.00 H new ATOM 447 N GLN A 213 -0.440 -7.836 1.220 1.00 0.00 N ATOM 448 CA GLN A 213 -0.463 -6.405 0.937 1.00 0.00 C ATOM 449 C GLN A 213 -0.293 -5.595 2.218 1.00 0.00 C ATOM 450 O GLN A 213 0.513 -4.666 2.275 1.00 0.00 O ATOM 451 CB GLN A 213 -1.773 -6.021 0.247 1.00 0.00 C ATOM 452 CG GLN A 213 -1.998 -6.739 -1.074 1.00 0.00 C ATOM 453 CD GLN A 213 -2.883 -5.953 -2.021 1.00 0.00 C ATOM 454 OE1 GLN A 213 -2.813 -4.725 -2.081 1.00 0.00 O ATOM 455 NE2 GLN A 213 -3.723 -6.659 -2.769 1.00 0.00 N ATOM 0 H GLN A 213 -1.309 -8.323 1.002 1.00 0.00 H new ATOM 0 HA GLN A 213 0.370 -6.178 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.605 -6.241 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.780 -4.945 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.036 -6.924 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.451 -7.712 -0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -3.748 -7.675 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -4.343 -6.185 -3.425 1.00 0.00 H new ATOM 464 N CYS A 214 -1.058 -5.953 3.245 1.00 0.00 N ATOM 465 CA CYS A 214 -0.993 -5.259 4.525 1.00 0.00 C ATOM 466 C CYS A 214 0.431 -4.797 4.822 1.00 0.00 C ATOM 467 O CYS A 214 1.315 -5.593 5.140 1.00 0.00 O ATOM 468 CB CYS A 214 -1.490 -6.171 5.649 1.00 0.00 C ATOM 469 SG CYS A 214 -2.196 -5.279 7.072 1.00 0.00 S ATOM 0 H CYS A 214 -1.730 -6.720 3.215 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.636 -4.381 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.244 -6.847 5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.661 -6.788 5.995 1.00 0.00 H new ATOM 474 N PRO A 215 0.660 -3.480 4.717 1.00 0.00 N ATOM 475 CA PRO A 215 1.974 -2.882 4.971 1.00 0.00 C ATOM 476 C PRO A 215 2.358 -2.930 6.446 1.00 0.00 C ATOM 477 O PRO A 215 3.464 -3.340 6.796 1.00 0.00 O ATOM 478 CB PRO A 215 1.799 -1.433 4.511 1.00 0.00 C ATOM 479 CG PRO A 215 0.339 -1.168 4.640 1.00 0.00 C ATOM 480 CD PRO A 215 -0.347 -2.472 4.343 1.00 0.00 C ATOM 0 HA PRO A 215 2.771 -3.415 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.381 -0.749 5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.136 -1.301 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.093 -0.817 5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.020 -0.392 3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.263 -2.585 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.623 -2.551 3.291 1.00 0.00 H new ATOM 488 N ARG A 216 1.436 -2.509 7.306 1.00 0.00 N ATOM 489 CA ARG A 216 1.679 -2.504 8.744 1.00 0.00 C ATOM 490 C ARG A 216 2.398 -3.778 9.179 1.00 0.00 C ATOM 491 O ARG A 216 3.169 -3.771 10.139 1.00 0.00 O ATOM 492 CB ARG A 216 0.359 -2.366 9.505 1.00 0.00 C ATOM 493 CG ARG A 216 -0.276 -0.990 9.378 1.00 0.00 C ATOM 494 CD ARG A 216 0.333 -0.003 10.361 1.00 0.00 C ATOM 495 NE ARG A 216 -0.614 1.040 10.747 1.00 0.00 N ATOM 496 CZ ARG A 216 -1.004 2.015 9.933 1.00 0.00 C ATOM 497 NH1 ARG A 216 -0.532 2.080 8.696 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.869 2.928 10.357 1.00 0.00 N ATOM 0 H ARG A 216 0.515 -2.167 7.032 1.00 0.00 H new ATOM 0 HA ARG A 216 2.316 -1.651 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.342 -3.116 9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.533 -2.581 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.145 -0.620 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.349 -1.066 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.667 -0.537 11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.215 0.456 9.915 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.996 1.019 11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 216 0.133 1.380 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -0.834 2.830 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -2.235 2.881 11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -2.168 3.676 9.732 1.00 0.00 H new ATOM 512 N LEU A 217 2.139 -4.869 8.467 1.00 0.00 N ATOM 513 CA LEU A 217 2.761 -6.152 8.779 1.00 0.00 C ATOM 514 C LEU A 217 4.278 -6.016 8.861 1.00 0.00 C ATOM 515 O LEU A 217 4.915 -5.381 8.020 1.00 0.00 O ATOM 516 CB LEU A 217 2.387 -7.192 7.722 1.00 0.00 C ATOM 517 CG LEU A 217 2.984 -8.587 7.913 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.059 -9.453 8.754 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.251 -9.242 6.566 1.00 0.00 C ATOM 0 H LEU A 217 1.503 -4.891 7.670 1.00 0.00 H new ATOM 0 HA LEU A 217 2.391 -6.481 9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.301 -7.283 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.696 -6.817 6.746 1.00 0.00 H new ATOM 0 HG LEU A 217 3.933 -8.486 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.500 -10.442 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.918 -8.992 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.095 -9.547 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.676 -10.234 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.316 -9.330 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.953 -8.632 5.997 1.00 0.00 H new ATOM 531 N PRO A 218 4.872 -6.627 9.896 1.00 0.00 N ATOM 532 CA PRO A 218 6.321 -6.591 10.111 1.00 0.00 C ATOM 533 C PRO A 218 7.082 -7.403 9.069 1.00 0.00 C ATOM 534 O PRO A 218 6.635 -8.472 8.652 1.00 0.00 O ATOM 535 CB PRO A 218 6.490 -7.211 11.500 1.00 0.00 C ATOM 536 CG PRO A 218 5.294 -8.083 11.673 1.00 0.00 C ATOM 537 CD PRO A 218 4.174 -7.400 10.937 1.00 0.00 C ATOM 0 HA PRO A 218 6.720 -5.580 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.413 -7.787 11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.536 -6.444 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.476 -9.079 11.270 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.050 -8.206 12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.479 -8.120 10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.595 -6.754 11.597 1.00 0.00 H new ATOM 545 N VAL A 219 8.235 -6.890 8.651 1.00 0.00 N ATOM 546 CA VAL A 219 9.059 -7.569 7.659 1.00 0.00 C ATOM 547 C VAL A 219 10.537 -7.496 8.028 1.00 0.00 C ATOM 548 O VAL A 219 11.033 -6.448 8.441 1.00 0.00 O ATOM 549 CB VAL A 219 8.862 -6.963 6.256 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.392 -6.987 5.866 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.412 -5.546 6.206 1.00 0.00 C ATOM 0 H VAL A 219 8.619 -6.006 8.984 1.00 0.00 H new ATOM 0 HA VAL A 219 8.742 -8.612 7.645 1.00 0.00 H new ATOM 0 HB VAL A 219 9.414 -7.568 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.272 -6.555 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.034 -8.017 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.815 -6.407 6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.264 -5.133 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.890 -4.927 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.477 -5.561 6.439 1.00 0.00 H new ATOM 561 N ALA A 220 11.235 -8.617 7.877 1.00 0.00 N ATOM 562 CA ALA A 220 12.656 -8.680 8.192 1.00 0.00 C ATOM 563 C ALA A 220 13.470 -7.813 7.237 1.00 0.00 C ATOM 564 O ALA A 220 13.254 -7.837 6.025 1.00 0.00 O ATOM 565 CB ALA A 220 13.144 -10.121 8.145 1.00 0.00 C ATOM 0 H ALA A 220 10.839 -9.494 7.538 1.00 0.00 H new ATOM 0 HA ALA A 220 12.796 -8.293 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.207 -10.153 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.592 -10.716 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.983 -10.527 7.147 1.00 0.00 H new ATOM 571 N CYS A 221 14.404 -7.047 7.790 1.00 0.00 N ATOM 572 CA CYS A 221 15.249 -6.171 6.988 1.00 0.00 C ATOM 573 C CYS A 221 16.173 -6.984 6.085 1.00 0.00 C ATOM 574 O CYS A 221 16.786 -7.966 6.505 1.00 0.00 O ATOM 575 CB CYS A 221 16.078 -5.258 7.894 1.00 0.00 C ATOM 576 SG CYS A 221 17.124 -4.068 6.994 1.00 0.00 S ATOM 0 H CYS A 221 14.595 -7.015 8.791 1.00 0.00 H new ATOM 0 HA CYS A 221 14.602 -5.559 6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.405 -4.709 8.552 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.713 -5.875 8.530 1.00 0.00 H new ATOM 581 N PRO A 222 16.276 -6.566 4.815 1.00 0.00 N ATOM 582 CA PRO A 222 17.123 -7.240 3.826 1.00 0.00 C ATOM 583 C PRO A 222 18.609 -7.052 4.112 1.00 0.00 C ATOM 584 O PRO A 222 19.436 -7.869 3.709 1.00 0.00 O ATOM 585 CB PRO A 222 16.742 -6.559 2.509 1.00 0.00 C ATOM 586 CG PRO A 222 16.238 -5.215 2.910 1.00 0.00 C ATOM 587 CD PRO A 222 15.575 -5.403 4.246 1.00 0.00 C ATOM 0 HA PRO A 222 16.968 -8.319 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.601 -6.477 1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.978 -7.126 1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.055 -4.496 2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.532 -4.828 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.684 -4.520 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.506 -5.590 4.141 1.00 0.00 H new ATOM 595 N ASN A 223 18.941 -5.971 4.810 1.00 0.00 N ATOM 596 CA ASN A 223 20.328 -5.676 5.149 1.00 0.00 C ATOM 597 C ASN A 223 20.736 -6.387 6.436 1.00 0.00 C ATOM 598 O ASN A 223 21.883 -6.291 6.872 1.00 0.00 O ATOM 599 CB ASN A 223 20.529 -4.167 5.302 1.00 0.00 C ATOM 600 CG ASN A 223 20.706 -3.470 3.967 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.798 -3.465 3.397 1.00 0.00 O ATOM 602 ND2 ASN A 223 19.631 -2.876 3.461 1.00 0.00 N ATOM 0 H ASN A 223 18.268 -5.285 5.152 1.00 0.00 H new ATOM 0 HA ASN A 223 20.959 -6.039 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.671 -3.740 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.404 -3.981 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 223 19.690 -2.391 2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 223 18.746 -2.905 3.968 1.00 0.00 H new ATOM 609 N GLN A 224 19.789 -7.099 7.038 1.00 0.00 N ATOM 610 CA GLN A 224 20.050 -7.826 8.275 1.00 0.00 C ATOM 611 C GLN A 224 20.915 -6.998 9.220 1.00 0.00 C ATOM 612 O GLN A 224 21.961 -7.455 9.683 1.00 0.00 O ATOM 613 CB GLN A 224 20.736 -9.159 7.973 1.00 0.00 C ATOM 614 CG GLN A 224 19.815 -10.187 7.336 1.00 0.00 C ATOM 615 CD GLN A 224 19.049 -10.999 8.362 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.525 -10.456 9.335 1.00 0.00 O ATOM 617 NE2 GLN A 224 18.979 -12.308 8.149 1.00 0.00 N ATOM 0 H GLN A 224 18.834 -7.188 6.690 1.00 0.00 H new ATOM 0 HA GLN A 224 19.094 -8.020 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.582 -8.981 7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.139 -9.569 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.109 -9.679 6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.404 -10.859 6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.428 -12.716 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.476 -12.905 8.805 1.00 0.00 H new ATOM 626 N CYS A 225 20.472 -5.778 9.504 1.00 0.00 N ATOM 627 CA CYS A 225 21.205 -4.885 10.393 1.00 0.00 C ATOM 628 C CYS A 225 21.111 -5.361 11.840 1.00 0.00 C ATOM 629 O CYS A 225 22.123 -5.512 12.522 1.00 0.00 O ATOM 630 CB CYS A 225 20.665 -3.459 10.277 1.00 0.00 C ATOM 631 SG CYS A 225 18.848 -3.345 10.343 1.00 0.00 S ATOM 0 H CYS A 225 19.608 -5.385 9.131 1.00 0.00 H new ATOM 0 HA CYS A 225 22.253 -4.894 10.093 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.086 -2.856 11.082 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.012 -3.026 9.339 1.00 0.00 H new ATOM 636 N GLY A 226 19.886 -5.595 12.301 1.00 0.00 N ATOM 637 CA GLY A 226 19.681 -6.052 13.664 1.00 0.00 C ATOM 638 C GLY A 226 18.312 -5.682 14.199 1.00 0.00 C ATOM 639 O GLY A 226 17.766 -6.374 15.058 1.00 0.00 O ATOM 0 H GLY A 226 19.032 -5.476 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.803 -7.134 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.448 -5.621 14.308 1.00 0.00 H new ATOM 643 N VAL A 227 17.756 -4.586 13.692 1.00 0.00 N ATOM 644 CA VAL A 227 16.443 -4.125 14.125 1.00 0.00 C ATOM 645 C VAL A 227 15.458 -5.284 14.225 1.00 0.00 C ATOM 646 O VAL A 227 14.479 -5.220 14.967 1.00 0.00 O ATOM 647 CB VAL A 227 15.875 -3.064 13.163 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.841 -3.599 11.739 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.488 -2.628 13.611 1.00 0.00 C ATOM 0 H VAL A 227 18.195 -4.001 12.981 1.00 0.00 H new ATOM 0 HA VAL A 227 16.574 -3.678 15.111 1.00 0.00 H new ATOM 0 HB VAL A 227 16.529 -2.192 13.183 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.437 -2.836 11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.852 -3.858 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.210 -4.487 11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.102 -1.878 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.821 -3.490 13.621 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.546 -2.203 14.613 1.00 0.00 H new ATOM 659 N GLY A 228 15.725 -6.347 13.471 1.00 0.00 N ATOM 660 CA GLY A 228 14.854 -7.507 13.489 1.00 0.00 C ATOM 661 C GLY A 228 13.662 -7.351 12.564 1.00 0.00 C ATOM 662 O GLY A 228 13.759 -7.612 11.365 1.00 0.00 O ATOM 0 H GLY A 228 16.529 -6.425 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.423 -8.390 13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.501 -7.677 14.506 1.00 0.00 H new ATOM 666 N THR A 229 12.533 -6.927 13.123 1.00 0.00 N ATOM 667 CA THR A 229 11.317 -6.740 12.342 1.00 0.00 C ATOM 668 C THR A 229 10.889 -5.277 12.333 1.00 0.00 C ATOM 669 O THR A 229 11.061 -4.563 13.321 1.00 0.00 O ATOM 670 CB THR A 229 10.161 -7.598 12.889 1.00 0.00 C ATOM 671 OG1 THR A 229 10.069 -7.448 14.310 1.00 0.00 O ATOM 672 CG2 THR A 229 10.364 -9.065 12.540 1.00 0.00 C ATOM 0 H THR A 229 12.436 -6.707 14.114 1.00 0.00 H new ATOM 0 HA THR A 229 11.544 -7.056 11.324 1.00 0.00 H new ATOM 0 HB THR A 229 9.234 -7.256 12.428 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.330 -7.995 14.650 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.535 -9.651 12.937 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.404 -9.179 11.457 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.299 -9.417 12.976 1.00 0.00 H new ATOM 680 N VAL A 230 10.329 -4.836 11.210 1.00 0.00 N ATOM 681 CA VAL A 230 9.874 -3.458 11.073 1.00 0.00 C ATOM 682 C VAL A 230 8.781 -3.342 10.018 1.00 0.00 C ATOM 683 O VAL A 230 8.943 -3.804 8.888 1.00 0.00 O ATOM 684 CB VAL A 230 11.036 -2.518 10.699 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.626 -2.909 9.353 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.566 -1.071 10.684 1.00 0.00 C ATOM 0 H VAL A 230 10.180 -5.414 10.383 1.00 0.00 H new ATOM 0 HA VAL A 230 9.472 -3.160 12.041 1.00 0.00 H new ATOM 0 HB VAL A 230 11.817 -2.615 11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.445 -2.234 9.105 1.00 0.00 H new ATOM 0 HG12 VAL A 230 12.000 -3.931 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.856 -2.842 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.399 -0.421 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.767 -0.955 9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.194 -0.799 11.672 1.00 0.00 H new ATOM 696 N ALA A 231 7.666 -2.723 10.393 1.00 0.00 N ATOM 697 CA ALA A 231 6.546 -2.544 9.478 1.00 0.00 C ATOM 698 C ALA A 231 7.034 -2.302 8.053 1.00 0.00 C ATOM 699 O ALA A 231 8.070 -1.672 7.841 1.00 0.00 O ATOM 700 CB ALA A 231 5.666 -1.392 9.939 1.00 0.00 C ATOM 0 H ALA A 231 7.515 -2.337 11.325 1.00 0.00 H new ATOM 0 HA ALA A 231 5.957 -3.461 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.834 -1.270 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.280 -1.605 10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.253 -0.474 9.966 1.00 0.00 H new ATOM 706 N ARG A 232 6.282 -2.808 7.081 1.00 0.00 N ATOM 707 CA ARG A 232 6.640 -2.648 5.677 1.00 0.00 C ATOM 708 C ARG A 232 6.711 -1.171 5.299 1.00 0.00 C ATOM 709 O ARG A 232 7.604 -0.752 4.564 1.00 0.00 O ATOM 710 CB ARG A 232 5.625 -3.365 4.785 1.00 0.00 C ATOM 711 CG ARG A 232 5.911 -3.221 3.299 1.00 0.00 C ATOM 712 CD ARG A 232 4.707 -3.618 2.459 1.00 0.00 C ATOM 713 NE ARG A 232 5.095 -4.071 1.126 1.00 0.00 N ATOM 714 CZ ARG A 232 4.245 -4.179 0.111 1.00 0.00 C ATOM 715 NH1 ARG A 232 2.967 -3.867 0.275 1.00 0.00 N ATOM 716 NH2 ARG A 232 4.675 -4.598 -1.073 1.00 0.00 N ATOM 0 H ARG A 232 5.421 -3.332 7.240 1.00 0.00 H new ATOM 0 HA ARG A 232 7.624 -3.092 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.612 -4.424 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.630 -2.973 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.186 -2.189 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.765 -3.843 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.157 -4.411 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.031 -2.768 2.370 1.00 0.00 H new ATOM 0 HE ARG A 232 6.072 -4.318 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 232 2.634 -3.543 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 232 2.317 -3.951 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.658 -4.837 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.022 -4.681 -1.852 1.00 0.00 H new ATOM 730 N GLU A 233 5.764 -0.389 5.807 1.00 0.00 N ATOM 731 CA GLU A 233 5.720 1.040 5.521 1.00 0.00 C ATOM 732 C GLU A 233 6.702 1.803 6.405 1.00 0.00 C ATOM 733 O GLU A 233 6.736 3.034 6.396 1.00 0.00 O ATOM 734 CB GLU A 233 4.304 1.581 5.729 1.00 0.00 C ATOM 735 CG GLU A 233 3.900 1.683 7.190 1.00 0.00 C ATOM 736 CD GLU A 233 2.401 1.573 7.390 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.696 2.578 7.162 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.933 0.481 7.775 1.00 0.00 O ATOM 0 H GLU A 233 5.018 -0.721 6.418 1.00 0.00 H new ATOM 0 HA GLU A 233 6.008 1.184 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.230 2.567 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.597 0.934 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 233 4.397 0.895 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.248 2.634 7.594 1.00 0.00 H new ATOM 745 N ASP A 234 7.499 1.063 7.168 1.00 0.00 N ATOM 746 CA ASP A 234 8.483 1.668 8.059 1.00 0.00 C ATOM 747 C ASP A 234 9.901 1.312 7.624 1.00 0.00 C ATOM 748 O ASP A 234 10.877 1.843 8.156 1.00 0.00 O ATOM 749 CB ASP A 234 8.248 1.211 9.499 1.00 0.00 C ATOM 750 CG ASP A 234 7.191 2.039 10.204 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.990 1.789 9.971 1.00 0.00 O ATOM 752 OD2 ASP A 234 7.565 2.937 10.987 1.00 0.00 O ATOM 0 H ASP A 234 7.483 0.043 7.188 1.00 0.00 H new ATOM 0 HA ASP A 234 8.367 2.751 8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.946 0.164 9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 234 9.184 1.273 10.054 1.00 0.00 H new ATOM 757 N LEU A 235 10.008 0.409 6.655 1.00 0.00 N ATOM 758 CA LEU A 235 11.307 -0.019 6.149 1.00 0.00 C ATOM 759 C LEU A 235 11.981 1.100 5.361 1.00 0.00 C ATOM 760 O LEU A 235 13.180 1.348 5.489 1.00 0.00 O ATOM 761 CB LEU A 235 11.149 -1.257 5.264 1.00 0.00 C ATOM 762 CG LEU A 235 12.392 -2.132 5.105 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.724 -2.831 6.415 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.190 -3.150 3.992 1.00 0.00 C ATOM 0 H LEU A 235 9.211 -0.041 6.204 1.00 0.00 H new ATOM 0 HA LEU A 235 11.937 -0.268 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.347 -1.871 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.829 -0.933 4.274 1.00 0.00 H new ATOM 0 HG LEU A 235 13.231 -1.491 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.612 -3.449 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.913 -2.086 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.885 -3.459 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.085 -3.764 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.338 -3.786 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 235 12.002 -2.630 3.053 1.00 0.00 H new ATOM 776 N PRO A 236 11.193 1.794 4.527 1.00 0.00 N ATOM 777 CA PRO A 236 11.691 2.900 3.704 1.00 0.00 C ATOM 778 C PRO A 236 12.531 3.888 4.507 1.00 0.00 C ATOM 779 O PRO A 236 13.726 4.045 4.261 1.00 0.00 O ATOM 780 CB PRO A 236 10.411 3.572 3.200 1.00 0.00 C ATOM 781 CG PRO A 236 9.385 2.492 3.216 1.00 0.00 C ATOM 782 CD PRO A 236 9.754 1.553 4.323 1.00 0.00 C ATOM 0 HA PRO A 236 12.348 2.551 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.121 4.403 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.545 3.976 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.390 2.907 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.360 1.970 2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.182 1.758 5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.557 0.516 4.050 1.00 0.00 H new ATOM 790 N GLY A 237 11.897 4.551 5.469 1.00 0.00 N ATOM 791 CA GLY A 237 12.601 5.515 6.294 1.00 0.00 C ATOM 792 C GLY A 237 13.761 4.895 7.047 1.00 0.00 C ATOM 793 O GLY A 237 14.782 5.546 7.275 1.00 0.00 O ATOM 0 H GLY A 237 10.908 4.438 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.971 6.325 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.904 5.957 7.006 1.00 0.00 H new ATOM 797 N HIS A 238 13.606 3.634 7.437 1.00 0.00 N ATOM 798 CA HIS A 238 14.649 2.926 8.170 1.00 0.00 C ATOM 799 C HIS A 238 15.900 2.762 7.313 1.00 0.00 C ATOM 800 O HIS A 238 17.012 3.050 7.758 1.00 0.00 O ATOM 801 CB HIS A 238 14.143 1.556 8.623 1.00 0.00 C ATOM 802 CG HIS A 238 15.239 0.568 8.879 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.824 0.397 10.116 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.856 -0.305 8.049 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.754 -0.538 10.036 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.793 -0.981 8.792 1.00 0.00 N ATOM 0 H HIS A 238 12.768 3.081 7.258 1.00 0.00 H new ATOM 0 HA HIS A 238 14.907 3.518 9.048 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.555 1.678 9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.474 1.155 7.862 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.577 0.912 10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.650 -0.444 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.376 -0.882 10.849 1.00 0.00 H new ATOM 814 N LEU A 239 15.712 2.297 6.083 1.00 0.00 N ATOM 815 CA LEU A 239 16.825 2.094 5.163 1.00 0.00 C ATOM 816 C LEU A 239 17.566 3.403 4.906 1.00 0.00 C ATOM 817 O LEU A 239 18.716 3.403 4.468 1.00 0.00 O ATOM 818 CB LEU A 239 16.321 1.513 3.841 1.00 0.00 C ATOM 819 CG LEU A 239 15.865 0.054 3.880 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.266 -0.354 2.543 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.026 -0.858 4.247 1.00 0.00 C ATOM 0 H LEU A 239 14.799 2.053 5.700 1.00 0.00 H new ATOM 0 HA LEU A 239 17.518 1.389 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.488 2.124 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.115 1.605 3.100 1.00 0.00 H new ATOM 0 HG LEU A 239 15.095 -0.046 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.947 -1.395 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.407 0.279 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 239 16.014 -0.238 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.683 -1.892 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.818 -0.755 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.410 -0.581 5.229 1.00 0.00 H new ATOM 833 N LYS A 240 16.899 4.518 5.184 1.00 0.00 N ATOM 834 CA LYS A 240 17.493 5.835 4.987 1.00 0.00 C ATOM 835 C LYS A 240 18.721 6.015 5.874 1.00 0.00 C ATOM 836 O LYS A 240 19.844 6.127 5.381 1.00 0.00 O ATOM 837 CB LYS A 240 16.468 6.930 5.289 1.00 0.00 C ATOM 838 CG LYS A 240 16.948 8.327 4.934 1.00 0.00 C ATOM 839 CD LYS A 240 15.934 9.384 5.336 1.00 0.00 C ATOM 840 CE LYS A 240 16.609 10.704 5.678 1.00 0.00 C ATOM 841 NZ LYS A 240 15.708 11.604 6.449 1.00 0.00 N ATOM 0 H LYS A 240 15.946 4.536 5.547 1.00 0.00 H new ATOM 0 HA LYS A 240 17.803 5.914 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.551 6.719 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.218 6.899 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.897 8.524 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.132 8.388 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 240 15.225 9.537 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.363 9.033 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 240 17.512 10.511 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 240 16.920 11.202 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 16.205 12.492 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 14.858 11.809 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 15.431 11.140 7.338 1.00 0.00 H new ATOM 855 N ASP A 241 18.500 6.042 7.184 1.00 0.00 N ATOM 856 CA ASP A 241 19.589 6.206 8.140 1.00 0.00 C ATOM 857 C ASP A 241 19.585 5.080 9.168 1.00 0.00 C ATOM 858 O ASP A 241 20.628 4.505 9.479 1.00 0.00 O ATOM 859 CB ASP A 241 19.477 7.558 8.846 1.00 0.00 C ATOM 860 CG ASP A 241 20.827 8.104 9.270 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.840 7.730 8.644 1.00 0.00 O ATOM 862 OD2 ASP A 241 20.869 8.904 10.228 1.00 0.00 O ATOM 0 H ASP A 241 17.577 5.952 7.608 1.00 0.00 H new ATOM 0 HA ASP A 241 20.530 6.168 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.992 8.273 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.838 7.455 9.723 1.00 0.00 H new ATOM 867 N SER A 242 18.404 4.769 9.693 1.00 0.00 N ATOM 868 CA SER A 242 18.264 3.715 10.690 1.00 0.00 C ATOM 869 C SER A 242 19.230 2.568 10.408 1.00 0.00 C ATOM 870 O SER A 242 20.142 2.302 11.191 1.00 0.00 O ATOM 871 CB SER A 242 16.826 3.192 10.712 1.00 0.00 C ATOM 872 OG SER A 242 16.554 2.496 11.916 1.00 0.00 O ATOM 0 H SER A 242 17.530 5.232 9.444 1.00 0.00 H new ATOM 0 HA SER A 242 18.504 4.138 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.131 4.025 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.663 2.530 9.861 1.00 0.00 H new ATOM 0 HG SER A 242 15.605 2.589 12.140 1.00 0.00 H new ATOM 878 N CYS A 243 19.024 1.893 9.282 1.00 0.00 N ATOM 879 CA CYS A 243 19.874 0.774 8.894 1.00 0.00 C ATOM 880 C CYS A 243 21.342 1.191 8.869 1.00 0.00 C ATOM 881 O CYS A 243 21.792 1.859 7.940 1.00 0.00 O ATOM 882 CB CYS A 243 19.460 0.244 7.520 1.00 0.00 C ATOM 883 SG CYS A 243 19.879 -1.507 7.242 1.00 0.00 S ATOM 0 H CYS A 243 18.275 2.102 8.622 1.00 0.00 H new ATOM 0 HA CYS A 243 19.751 -0.018 9.633 1.00 0.00 H new ATOM 0 HB2 CYS A 243 18.384 0.372 7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.939 0.848 6.750 1.00 0.00 H new ATOM 888 N ASN A 244 22.083 0.789 9.897 1.00 0.00 N ATOM 889 CA ASN A 244 23.500 1.121 9.994 1.00 0.00 C ATOM 890 C ASN A 244 24.364 -0.032 9.492 1.00 0.00 C ATOM 891 O ASN A 244 25.328 -0.432 10.146 1.00 0.00 O ATOM 892 CB ASN A 244 23.869 1.457 11.440 1.00 0.00 C ATOM 893 CG ASN A 244 23.447 2.860 11.833 1.00 0.00 C ATOM 894 OD1 ASN A 244 22.570 3.455 11.206 1.00 0.00 O ATOM 895 ND2 ASN A 244 24.071 3.395 12.876 1.00 0.00 N ATOM 0 H ASN A 244 21.726 0.233 10.674 1.00 0.00 H new ATOM 0 HA ASN A 244 23.687 1.992 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 244 23.397 0.738 12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 244 24.946 1.354 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 244 23.829 4.336 13.187 1.00 0.00 H new ATOM 0 HD22 ASN A 244 24.792 2.865 13.366 1.00 0.00 H new ATOM 902 N THR A 245 24.012 -0.564 8.325 1.00 0.00 N ATOM 903 CA THR A 245 24.753 -1.671 7.735 1.00 0.00 C ATOM 904 C THR A 245 25.913 -1.165 6.885 1.00 0.00 C ATOM 905 O THR A 245 25.740 -0.284 6.044 1.00 0.00 O ATOM 906 CB THR A 245 23.842 -2.558 6.865 1.00 0.00 C ATOM 907 OG1 THR A 245 24.573 -3.694 6.390 1.00 0.00 O ATOM 908 CG2 THR A 245 23.291 -1.773 5.684 1.00 0.00 C ATOM 0 H THR A 245 23.218 -0.245 7.770 1.00 0.00 H new ATOM 0 HA THR A 245 25.143 -2.265 8.561 1.00 0.00 H new ATOM 0 HB THR A 245 23.007 -2.895 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 245 23.986 -4.254 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 245 22.651 -2.420 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 245 22.711 -0.926 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 245 24.116 -1.410 5.071 1.00 0.00 H new ATOM 916 N ALA A 246 27.095 -1.729 7.109 1.00 0.00 N ATOM 917 CA ALA A 246 28.283 -1.337 6.361 1.00 0.00 C ATOM 918 C ALA A 246 28.431 -2.166 5.090 1.00 0.00 C ATOM 919 O ALA A 246 28.727 -1.634 4.020 1.00 0.00 O ATOM 920 CB ALA A 246 29.524 -1.475 7.230 1.00 0.00 C ATOM 0 H ALA A 246 27.255 -2.459 7.803 1.00 0.00 H new ATOM 0 HA ALA A 246 28.170 -0.292 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 246 30.403 -1.179 6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 246 29.428 -0.834 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 246 29.631 -2.512 7.549 1.00 0.00 H new ATOM 926 N LEU A 247 28.223 -3.473 5.214 1.00 0.00 N ATOM 927 CA LEU A 247 28.333 -4.377 4.075 1.00 0.00 C ATOM 928 C LEU A 247 29.458 -3.942 3.141 1.00 0.00 C ATOM 929 O LEU A 247 29.250 -3.764 1.941 1.00 0.00 O ATOM 930 CB LEU A 247 27.010 -4.427 3.309 1.00 0.00 C ATOM 931 CG LEU A 247 26.688 -5.749 2.611 1.00 0.00 C ATOM 932 CD1 LEU A 247 25.185 -5.924 2.465 1.00 0.00 C ATOM 933 CD2 LEU A 247 27.369 -5.814 1.251 1.00 0.00 C ATOM 0 H LEU A 247 27.977 -3.930 6.092 1.00 0.00 H new ATOM 0 HA LEU A 247 28.565 -5.372 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 247 26.202 -4.200 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 247 27.017 -3.636 2.559 1.00 0.00 H new ATOM 0 HG LEU A 247 27.070 -6.564 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 247 24.976 -6.870 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 247 24.721 -5.923 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 247 24.779 -5.104 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 247 27.129 -6.762 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 247 27.018 -4.991 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 247 28.448 -5.736 1.381 1.00 0.00 H new ATOM 945 N VAL A 248 30.653 -3.774 3.701 1.00 0.00 N ATOM 946 CA VAL A 248 31.812 -3.363 2.918 1.00 0.00 C ATOM 947 C VAL A 248 32.515 -4.568 2.304 1.00 0.00 C ATOM 948 O VAL A 248 32.437 -5.679 2.827 1.00 0.00 O ATOM 949 CB VAL A 248 32.820 -2.578 3.778 1.00 0.00 C ATOM 950 CG1 VAL A 248 34.059 -2.231 2.967 1.00 0.00 C ATOM 951 CG2 VAL A 248 32.174 -1.322 4.343 1.00 0.00 C ATOM 0 H VAL A 248 30.843 -3.916 4.693 1.00 0.00 H new ATOM 0 HA VAL A 248 31.443 -2.716 2.122 1.00 0.00 H new ATOM 0 HB VAL A 248 33.127 -3.209 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 248 34.759 -1.677 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 248 34.533 -3.148 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 248 33.774 -1.620 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 248 32.901 -0.780 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 248 31.837 -0.686 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 248 31.321 -1.599 4.962 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.478 -5.392 6.983 1.00 0.00 ZN HETATM 963 ZN ZN A 400 18.060 -2.527 8.335 1.00 0.00 ZN