USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 232 HIS HD1 : A 232 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 270 HIS HD1 : A 270 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 275 THR OG1 : rot 26:sc= 1.01 USER MOD Set 1.2: A 276 LYS NZ :NH3+ 138:sc= -2.32! (180deg=-2.82!) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 26:sc= 0.551 USER MOD Single : A 227 LYS NZ :NH3+ -157:sc= -0.0933 (180deg=-0.549) USER MOD Single : A 230 MET CE :methyl 159:sc= -0.074 (180deg=-0.493) USER MOD Single : A 235 LYS NZ :NH3+ -150:sc= -0.501 (180deg=-2.43) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -0.0875 K(o=-0.087,f=-6.6!) USER MOD Single : A 239 TYR OH : rot 180:sc= -0.0475 USER MOD Single : A 240 LYS NZ :NH3+ -172:sc= -1.19 (180deg=-1.54) USER MOD Single : A 241 SER OG : rot 180:sc= -0.675 USER MOD Single : A 243 THR OG1 : rot 172:sc= 0.0022 USER MOD Single : A 247 HIS :FLIP no HE2:sc= -6.47! C(o=-7.4!,f=-6.5!) USER MOD Single : A 250 THR OG1 : rot -36:sc= 0.998 USER MOD Single : A 258 GLN : amide:sc= 0 K(o=0,f=-2.3) USER MOD Single : A 261 LYS NZ :NH3+ -110:sc= 0.288 (180deg=0) USER MOD Single : A 267 MET CE :methyl 175:sc= -0.729 (180deg=-0.862) USER MOD Single : A 268 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8.5!) USER MOD Single : A 271 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.87) USER MOD Single : A 274 GLN : amide:sc= -8.18! C(o=-8.2!,f=-11!) USER MOD Single : A 279 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.2!) USER MOD Single : A 284 ASN : amide:sc=-0.00691 K(o=-0.0069,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 7.886 -35.170 -1.587 1.00 0.00 N ATOM 2 CA GLY A 220 6.682 -35.092 -2.394 1.00 0.00 C ATOM 3 C GLY A 220 6.899 -34.329 -3.686 1.00 0.00 C ATOM 4 O GLY A 220 8.037 -34.062 -4.074 1.00 0.00 O ATOM 0 HA2 GLY A 220 6.337 -36.100 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 220 5.893 -34.609 -1.818 1.00 0.00 H new ATOM 8 N SER A 221 5.806 -33.979 -4.356 1.00 0.00 N ATOM 9 CA SER A 221 5.882 -33.248 -5.615 1.00 0.00 C ATOM 10 C SER A 221 4.844 -32.131 -5.658 1.00 0.00 C ATOM 11 O SER A 221 3.693 -32.322 -5.263 1.00 0.00 O ATOM 12 CB SER A 221 5.673 -34.199 -6.795 1.00 0.00 C ATOM 13 OG SER A 221 6.868 -34.893 -7.109 1.00 0.00 O ATOM 0 H SER A 221 4.857 -34.190 -4.048 1.00 0.00 H new ATOM 0 HA SER A 221 6.874 -32.802 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 221 4.886 -34.914 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 221 5.337 -33.635 -7.665 1.00 0.00 H new ATOM 0 HG SER A 221 6.707 -35.495 -7.865 1.00 0.00 H new ATOM 19 N SER A 222 5.259 -30.963 -6.139 1.00 0.00 N ATOM 20 CA SER A 222 4.368 -29.813 -6.230 1.00 0.00 C ATOM 21 C SER A 222 3.975 -29.544 -7.679 1.00 0.00 C ATOM 22 O SER A 222 4.814 -29.580 -8.579 1.00 0.00 O ATOM 23 CB SER A 222 5.037 -28.574 -5.632 1.00 0.00 C ATOM 24 OG SER A 222 5.597 -28.859 -4.362 1.00 0.00 O ATOM 0 H SER A 222 6.207 -30.789 -6.472 1.00 0.00 H new ATOM 0 HA SER A 222 3.465 -30.038 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 222 5.817 -28.218 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 222 4.305 -27.771 -5.538 1.00 0.00 H new ATOM 0 HG SER A 222 6.020 -28.051 -4.002 1.00 0.00 H new ATOM 30 N GLY A 223 2.692 -29.273 -7.898 1.00 0.00 N ATOM 31 CA GLY A 223 2.209 -29.001 -9.239 1.00 0.00 C ATOM 32 C GLY A 223 0.695 -28.975 -9.316 1.00 0.00 C ATOM 33 O GLY A 223 0.089 -29.778 -10.025 1.00 0.00 O ATOM 0 H GLY A 223 1.978 -29.237 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 223 2.603 -28.042 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 223 2.591 -29.761 -9.921 1.00 0.00 H new ATOM 37 N SER A 224 0.083 -28.051 -8.583 1.00 0.00 N ATOM 38 CA SER A 224 -1.370 -27.927 -8.567 1.00 0.00 C ATOM 39 C SER A 224 -1.789 -26.486 -8.288 1.00 0.00 C ATOM 40 O SER A 224 -1.300 -25.856 -7.350 1.00 0.00 O ATOM 41 CB SER A 224 -1.971 -28.858 -7.512 1.00 0.00 C ATOM 42 OG SER A 224 -3.313 -29.187 -7.827 1.00 0.00 O ATOM 0 H SER A 224 0.570 -27.377 -7.992 1.00 0.00 H new ATOM 0 HA SER A 224 -1.745 -28.213 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 224 -1.376 -29.769 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 224 -1.931 -28.378 -6.534 1.00 0.00 H new ATOM 0 HG SER A 224 -3.674 -29.784 -7.139 1.00 0.00 H new ATOM 48 N SER A 225 -2.698 -25.972 -9.110 1.00 0.00 N ATOM 49 CA SER A 225 -3.182 -24.605 -8.955 1.00 0.00 C ATOM 50 C SER A 225 -3.735 -24.379 -7.551 1.00 0.00 C ATOM 51 O SER A 225 -4.712 -25.009 -7.148 1.00 0.00 O ATOM 52 CB SER A 225 -4.261 -24.302 -9.996 1.00 0.00 C ATOM 53 OG SER A 225 -5.388 -25.144 -9.821 1.00 0.00 O ATOM 0 H SER A 225 -3.114 -26.481 -9.890 1.00 0.00 H new ATOM 0 HA SER A 225 -2.341 -23.929 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 225 -4.566 -23.259 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 225 -3.853 -24.438 -10.998 1.00 0.00 H new ATOM 0 HG SER A 225 -5.441 -25.429 -8.885 1.00 0.00 H new ATOM 59 N GLY A 226 -3.102 -23.475 -6.810 1.00 0.00 N ATOM 60 CA GLY A 226 -3.544 -23.181 -5.460 1.00 0.00 C ATOM 61 C GLY A 226 -4.169 -21.806 -5.340 1.00 0.00 C ATOM 62 O GLY A 226 -5.392 -21.667 -5.368 1.00 0.00 O ATOM 0 H GLY A 226 -2.291 -22.941 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -4.267 -23.934 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -2.695 -23.251 -4.780 1.00 0.00 H new ATOM 66 N LYS A 227 -3.329 -20.785 -5.205 1.00 0.00 N ATOM 67 CA LYS A 227 -3.805 -19.413 -5.079 1.00 0.00 C ATOM 68 C LYS A 227 -3.194 -18.525 -6.158 1.00 0.00 C ATOM 69 O LYS A 227 -2.009 -18.193 -6.105 1.00 0.00 O ATOM 70 CB LYS A 227 -3.466 -18.858 -3.694 1.00 0.00 C ATOM 71 CG LYS A 227 -3.797 -19.811 -2.559 1.00 0.00 C ATOM 72 CD LYS A 227 -5.294 -20.045 -2.445 1.00 0.00 C ATOM 73 CE LYS A 227 -5.984 -18.896 -1.727 1.00 0.00 C ATOM 74 NZ LYS A 227 -5.539 -18.781 -0.310 1.00 0.00 N ATOM 0 H LYS A 227 -2.314 -20.883 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.888 -19.417 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -2.403 -18.619 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -4.008 -17.925 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -3.291 -20.762 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -3.419 -19.406 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -5.722 -20.163 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -5.478 -20.975 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -5.775 -17.963 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -7.063 -19.044 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -6.266 -18.284 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.392 -19.731 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -4.647 -18.247 -0.268 1.00 0.00 H new ATOM 88 N ILE A 228 -4.010 -18.141 -7.135 1.00 0.00 N ATOM 89 CA ILE A 228 -3.549 -17.289 -8.224 1.00 0.00 C ATOM 90 C ILE A 228 -4.012 -15.849 -8.029 1.00 0.00 C ATOM 91 O ILE A 228 -5.210 -15.575 -7.966 1.00 0.00 O ATOM 92 CB ILE A 228 -4.052 -17.798 -9.588 1.00 0.00 C ATOM 93 CG1 ILE A 228 -3.956 -19.323 -9.655 1.00 0.00 C ATOM 94 CG2 ILE A 228 -3.256 -17.161 -10.717 1.00 0.00 C ATOM 95 CD1 ILE A 228 -4.211 -19.885 -11.036 1.00 0.00 C ATOM 0 H ILE A 228 -4.993 -18.407 -7.194 1.00 0.00 H new ATOM 0 HA ILE A 228 -2.460 -17.323 -8.212 1.00 0.00 H new ATOM 0 HB ILE A 228 -5.098 -17.514 -9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -2.964 -19.631 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -4.674 -19.755 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.623 -17.531 -11.675 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.372 -16.078 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.202 -17.418 -10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -4.126 -20.971 -11.008 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -5.213 -19.607 -11.362 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.477 -19.482 -11.734 1.00 0.00 H new ATOM 107 N ASP A 229 -3.054 -14.934 -7.936 1.00 0.00 N ATOM 108 CA ASP A 229 -3.362 -13.521 -7.751 1.00 0.00 C ATOM 109 C ASP A 229 -2.162 -12.651 -8.111 1.00 0.00 C ATOM 110 O ASP A 229 -1.025 -12.969 -7.763 1.00 0.00 O ATOM 111 CB ASP A 229 -3.785 -13.254 -6.305 1.00 0.00 C ATOM 112 CG ASP A 229 -5.265 -13.497 -6.081 1.00 0.00 C ATOM 113 OD1 ASP A 229 -6.072 -13.068 -6.931 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.614 -14.117 -5.055 1.00 0.00 O ATOM 0 H ASP A 229 -2.057 -15.145 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 229 -4.187 -13.265 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.209 -13.894 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -3.545 -12.223 -6.044 1.00 0.00 H new ATOM 119 N MET A 230 -2.423 -11.552 -8.812 1.00 0.00 N ATOM 120 CA MET A 230 -1.364 -10.636 -9.220 1.00 0.00 C ATOM 121 C MET A 230 -1.680 -9.210 -8.782 1.00 0.00 C ATOM 122 O MET A 230 -2.416 -8.480 -9.447 1.00 0.00 O ATOM 123 CB MET A 230 -1.173 -10.686 -10.737 1.00 0.00 C ATOM 124 CG MET A 230 -2.444 -11.024 -11.498 1.00 0.00 C ATOM 125 SD MET A 230 -2.134 -11.407 -13.233 1.00 0.00 S ATOM 126 CE MET A 230 -1.314 -12.993 -13.089 1.00 0.00 C ATOM 0 H MET A 230 -3.358 -11.274 -9.109 1.00 0.00 H new ATOM 0 HA MET A 230 -0.440 -10.950 -8.735 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.800 -9.721 -11.080 1.00 0.00 H new ATOM 0 HB3 MET A 230 -0.409 -11.426 -10.975 1.00 0.00 H new ATOM 0 HG2 MET A 230 -2.931 -11.876 -11.023 1.00 0.00 H new ATOM 0 HG3 MET A 230 -3.136 -10.184 -11.433 1.00 0.00 H new ATOM 0 HE1 MET A 230 -1.390 -13.529 -14.035 1.00 0.00 H new ATOM 0 HE2 MET A 230 -0.263 -12.838 -12.843 1.00 0.00 H new ATOM 0 HE3 MET A 230 -1.789 -13.578 -12.301 1.00 0.00 H new ATOM 136 N PRO A 231 -1.113 -8.801 -7.638 1.00 0.00 N ATOM 137 CA PRO A 231 -1.320 -7.459 -7.086 1.00 0.00 C ATOM 138 C PRO A 231 -0.643 -6.378 -7.922 1.00 0.00 C ATOM 139 O PRO A 231 0.225 -6.668 -8.746 1.00 0.00 O ATOM 140 CB PRO A 231 -0.679 -7.542 -5.699 1.00 0.00 C ATOM 141 CG PRO A 231 0.339 -8.623 -5.816 1.00 0.00 C ATOM 142 CD PRO A 231 -0.225 -9.618 -6.794 1.00 0.00 C ATOM 0 HA PRO A 231 -2.375 -7.185 -7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.220 -6.594 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.419 -7.777 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.291 -8.226 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.526 -9.089 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.561 -10.094 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.772 -10.414 -6.288 1.00 0.00 H new ATOM 150 N HIS A 232 -1.046 -5.129 -7.705 1.00 0.00 N ATOM 151 CA HIS A 232 -0.476 -4.004 -8.438 1.00 0.00 C ATOM 152 C HIS A 232 0.784 -3.489 -7.750 1.00 0.00 C ATOM 153 O HIS A 232 0.728 -2.988 -6.627 1.00 0.00 O ATOM 154 CB HIS A 232 -1.502 -2.877 -8.561 1.00 0.00 C ATOM 155 CG HIS A 232 -2.666 -3.220 -9.439 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.560 -3.372 -10.805 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.967 -3.442 -9.137 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.746 -3.671 -11.306 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.617 -3.720 -10.314 1.00 0.00 N ATOM 0 H HIS A 232 -1.764 -4.871 -7.028 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.207 -4.351 -9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.870 -2.622 -7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -1.009 -1.989 -8.956 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.411 -3.407 -8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.966 -3.846 -12.349 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.611 -3.930 -10.407 1.00 0.00 H new ATOM 167 N ARG A 233 1.918 -3.616 -8.430 1.00 0.00 N ATOM 168 CA ARG A 233 3.192 -3.165 -7.883 1.00 0.00 C ATOM 169 C ARG A 233 3.270 -1.641 -7.871 1.00 0.00 C ATOM 170 O ARG A 233 4.069 -1.044 -8.593 1.00 0.00 O ATOM 171 CB ARG A 233 4.353 -3.739 -8.697 1.00 0.00 C ATOM 172 CG ARG A 233 4.566 -5.229 -8.488 1.00 0.00 C ATOM 173 CD ARG A 233 5.856 -5.705 -9.138 1.00 0.00 C ATOM 174 NE ARG A 233 6.400 -6.887 -8.474 1.00 0.00 N ATOM 175 CZ ARG A 233 6.911 -6.871 -7.248 1.00 0.00 C ATOM 176 NH1 ARG A 233 6.948 -5.741 -6.556 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.387 -7.988 -6.713 1.00 0.00 N ATOM 0 H ARG A 233 1.981 -4.028 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 233 3.265 -3.524 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.171 -3.552 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.268 -3.209 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.593 -5.447 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.723 -5.780 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.671 -5.932 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.593 -4.903 -9.111 1.00 0.00 H new ATOM 0 HE ARG A 233 6.387 -7.773 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.583 -4.881 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.341 -5.732 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.361 -8.859 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 233 7.779 -7.976 -5.772 1.00 0.00 H new ATOM 191 N PHE A 234 2.433 -1.018 -7.048 1.00 0.00 N ATOM 192 CA PHE A 234 2.406 0.436 -6.943 1.00 0.00 C ATOM 193 C PHE A 234 3.743 0.971 -6.439 1.00 0.00 C ATOM 194 O PHE A 234 4.450 0.299 -5.687 1.00 0.00 O ATOM 195 CB PHE A 234 1.281 0.880 -6.005 1.00 0.00 C ATOM 196 CG PHE A 234 -0.085 0.792 -6.624 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.510 1.746 -7.534 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.944 -0.244 -6.295 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.766 1.668 -8.106 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.200 -0.328 -6.864 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.613 0.630 -7.769 1.00 0.00 C ATOM 0 H PHE A 234 1.765 -1.497 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 234 2.224 0.843 -7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.304 0.264 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.464 1.908 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.148 2.560 -7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.628 -0.995 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.085 2.417 -8.815 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.859 -1.143 -6.601 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.596 0.568 -8.212 1.00 0.00 H new ATOM 211 N LYS A 235 4.085 2.184 -6.860 1.00 0.00 N ATOM 212 CA LYS A 235 5.337 2.811 -6.452 1.00 0.00 C ATOM 213 C LYS A 235 5.263 4.326 -6.612 1.00 0.00 C ATOM 214 O LYS A 235 4.743 4.831 -7.607 1.00 0.00 O ATOM 215 CB LYS A 235 6.501 2.257 -7.276 1.00 0.00 C ATOM 216 CG LYS A 235 6.616 0.743 -7.225 1.00 0.00 C ATOM 217 CD LYS A 235 7.858 0.253 -7.951 1.00 0.00 C ATOM 218 CE LYS A 235 7.717 -1.200 -8.377 1.00 0.00 C ATOM 219 NZ LYS A 235 8.737 -1.582 -9.393 1.00 0.00 N ATOM 0 H LYS A 235 3.513 2.753 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 235 5.504 2.582 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.382 2.569 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.431 2.696 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.647 0.414 -6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 235 5.730 0.295 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.037 0.875 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 235 8.727 0.360 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.815 -1.845 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 235 6.719 -1.364 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 8.350 -2.323 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 8.987 -0.750 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.587 -1.941 -8.913 1.00 0.00 H new ATOM 233 N VAL A 236 5.789 5.047 -5.626 1.00 0.00 N ATOM 234 CA VAL A 236 5.785 6.504 -5.659 1.00 0.00 C ATOM 235 C VAL A 236 6.633 7.031 -6.811 1.00 0.00 C ATOM 236 O VAL A 236 7.729 6.530 -7.069 1.00 0.00 O ATOM 237 CB VAL A 236 6.310 7.097 -4.338 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.379 8.614 -4.422 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.436 6.658 -3.173 1.00 0.00 C ATOM 0 H VAL A 236 6.223 4.645 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 236 4.750 6.814 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 236 7.319 6.721 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 236 6.752 9.014 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.051 8.903 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.384 9.013 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.821 7.086 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.415 7.002 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.445 5.570 -3.101 1.00 0.00 H new ATOM 249 N TYR A 237 6.120 8.043 -7.502 1.00 0.00 N ATOM 250 CA TYR A 237 6.830 8.636 -8.629 1.00 0.00 C ATOM 251 C TYR A 237 6.515 10.124 -8.748 1.00 0.00 C ATOM 252 O TYR A 237 5.406 10.562 -8.444 1.00 0.00 O ATOM 253 CB TYR A 237 6.457 7.919 -9.928 1.00 0.00 C ATOM 254 CG TYR A 237 7.434 8.163 -11.056 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.630 7.460 -11.129 1.00 0.00 C ATOM 256 CD2 TYR A 237 7.161 9.097 -12.048 1.00 0.00 C ATOM 257 CE1 TYR A 237 9.526 7.680 -12.158 1.00 0.00 C ATOM 258 CE2 TYR A 237 8.050 9.322 -13.081 1.00 0.00 C ATOM 259 CZ TYR A 237 9.231 8.611 -13.131 1.00 0.00 C ATOM 260 OH TYR A 237 10.120 8.834 -14.158 1.00 0.00 O ATOM 0 H TYR A 237 5.215 8.470 -7.302 1.00 0.00 H new ATOM 0 HA TYR A 237 7.900 8.522 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.396 6.848 -9.737 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.465 8.244 -10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 237 8.864 6.729 -10.369 1.00 0.00 H new ATOM 0 HD2 TYR A 237 6.238 9.657 -12.011 1.00 0.00 H new ATOM 0 HE1 TYR A 237 10.452 7.126 -12.200 1.00 0.00 H new ATOM 0 HE2 TYR A 237 7.822 10.050 -13.845 1.00 0.00 H new ATOM 0 HH TYR A 237 9.760 9.520 -14.759 1.00 0.00 H new ATOM 270 N ASN A 238 7.501 10.897 -9.194 1.00 0.00 N ATOM 271 CA ASN A 238 7.331 12.336 -9.354 1.00 0.00 C ATOM 272 C ASN A 238 7.010 12.688 -10.804 1.00 0.00 C ATOM 273 O ASN A 238 7.909 12.811 -11.637 1.00 0.00 O ATOM 274 CB ASN A 238 8.594 13.073 -8.906 1.00 0.00 C ATOM 275 CG ASN A 238 9.829 12.614 -9.657 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.937 11.450 -10.044 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.768 13.529 -9.868 1.00 0.00 N ATOM 0 H ASN A 238 8.425 10.550 -9.451 1.00 0.00 H new ATOM 0 HA ASN A 238 6.495 12.650 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.459 14.144 -9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.743 12.917 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 238 11.621 13.279 -10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.637 14.482 -9.529 1.00 0.00 H new ATOM 284 N TYR A 239 5.725 12.850 -11.097 1.00 0.00 N ATOM 285 CA TYR A 239 5.286 13.186 -12.446 1.00 0.00 C ATOM 286 C TYR A 239 4.486 14.485 -12.451 1.00 0.00 C ATOM 287 O TYR A 239 3.706 14.752 -11.536 1.00 0.00 O ATOM 288 CB TYR A 239 4.440 12.052 -13.028 1.00 0.00 C ATOM 289 CG TYR A 239 3.197 11.749 -12.222 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.287 11.207 -10.946 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.932 12.005 -12.737 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.154 10.928 -10.207 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.794 11.731 -12.005 1.00 0.00 C ATOM 294 CZ TYR A 239 0.909 11.193 -10.740 1.00 0.00 C ATOM 295 OH TYR A 239 -0.222 10.917 -10.008 1.00 0.00 O ATOM 0 H TYR A 239 4.969 12.754 -10.419 1.00 0.00 H new ATOM 0 HA TYR A 239 6.173 13.323 -13.065 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.149 12.313 -14.045 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.050 11.151 -13.092 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.260 11.000 -10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.837 12.426 -13.727 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.242 10.505 -9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.181 11.937 -12.421 1.00 0.00 H new ATOM 0 HH TYR A 239 -1.016 11.163 -10.527 1.00 0.00 H new ATOM 305 N LYS A 240 4.685 15.292 -13.488 1.00 0.00 N ATOM 306 CA LYS A 240 3.983 16.563 -13.616 1.00 0.00 C ATOM 307 C LYS A 240 2.976 16.515 -14.760 1.00 0.00 C ATOM 308 O LYS A 240 3.324 16.753 -15.916 1.00 0.00 O ATOM 309 CB LYS A 240 4.981 17.699 -13.848 1.00 0.00 C ATOM 310 CG LYS A 240 4.397 18.876 -14.610 1.00 0.00 C ATOM 311 CD LYS A 240 5.101 20.175 -14.257 1.00 0.00 C ATOM 312 CE LYS A 240 6.326 20.400 -15.131 1.00 0.00 C ATOM 313 NZ LYS A 240 7.109 19.148 -15.322 1.00 0.00 N ATOM 0 H LYS A 240 5.328 15.087 -14.253 1.00 0.00 H new ATOM 0 HA LYS A 240 3.443 16.747 -12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.351 18.049 -12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.839 17.311 -14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 240 4.482 18.695 -15.681 1.00 0.00 H new ATOM 0 HG3 LYS A 240 3.334 18.965 -14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 240 4.409 21.009 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 240 5.399 20.155 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 240 6.014 20.785 -16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 240 6.962 21.160 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 8.003 19.368 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.313 18.721 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 6.559 18.479 -15.898 1.00 0.00 H new ATOM 327 N SER A 241 1.725 16.208 -14.429 1.00 0.00 N ATOM 328 CA SER A 241 0.668 16.127 -15.430 1.00 0.00 C ATOM 329 C SER A 241 -0.682 15.854 -14.774 1.00 0.00 C ATOM 330 O SER A 241 -0.779 15.166 -13.757 1.00 0.00 O ATOM 331 CB SER A 241 0.983 15.030 -16.449 1.00 0.00 C ATOM 332 OG SER A 241 -0.167 14.686 -17.201 1.00 0.00 O ATOM 0 H SER A 241 1.419 16.012 -13.476 1.00 0.00 H new ATOM 0 HA SER A 241 0.616 17.087 -15.944 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.772 15.369 -17.120 1.00 0.00 H new ATOM 0 HB3 SER A 241 1.361 14.148 -15.933 1.00 0.00 H new ATOM 0 HG SER A 241 0.062 13.984 -17.846 1.00 0.00 H new ATOM 338 N PRO A 242 -1.750 16.407 -15.367 1.00 0.00 N ATOM 339 CA PRO A 242 -3.115 16.237 -14.859 1.00 0.00 C ATOM 340 C PRO A 242 -3.628 14.813 -15.039 1.00 0.00 C ATOM 341 O PRO A 242 -4.274 14.496 -16.039 1.00 0.00 O ATOM 342 CB PRO A 242 -3.933 17.213 -15.708 1.00 0.00 C ATOM 343 CG PRO A 242 -3.156 17.361 -16.970 1.00 0.00 C ATOM 344 CD PRO A 242 -1.709 17.238 -16.582 1.00 0.00 C ATOM 0 HA PRO A 242 -3.178 16.427 -13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.933 16.826 -15.902 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -4.054 18.171 -15.203 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.433 16.592 -17.691 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -3.354 18.325 -17.439 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -1.120 16.768 -17.370 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -1.261 18.212 -16.387 1.00 0.00 H new ATOM 352 N THR A 243 -3.338 13.956 -14.065 1.00 0.00 N ATOM 353 CA THR A 243 -3.770 12.565 -14.117 1.00 0.00 C ATOM 354 C THR A 243 -4.908 12.306 -13.138 1.00 0.00 C ATOM 355 O THR A 243 -4.889 12.789 -12.005 1.00 0.00 O ATOM 356 CB THR A 243 -2.608 11.604 -13.802 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.453 11.962 -14.569 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.998 10.165 -14.105 1.00 0.00 C ATOM 0 H THR A 243 -2.805 14.201 -13.230 1.00 0.00 H new ATOM 0 HA THR A 243 -4.119 12.380 -15.133 1.00 0.00 H new ATOM 0 HB THR A 243 -2.377 11.685 -12.740 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.685 11.432 -14.270 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.162 9.505 -13.875 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.859 9.886 -13.497 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.254 10.072 -15.160 1.00 0.00 H new ATOM 366 N PHE A 244 -5.900 11.540 -13.580 1.00 0.00 N ATOM 367 CA PHE A 244 -7.049 11.216 -12.741 1.00 0.00 C ATOM 368 C PHE A 244 -6.984 9.768 -12.264 1.00 0.00 C ATOM 369 O PHE A 244 -6.603 8.871 -13.017 1.00 0.00 O ATOM 370 CB PHE A 244 -8.351 11.454 -13.509 1.00 0.00 C ATOM 371 CG PHE A 244 -8.438 12.818 -14.132 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.609 13.168 -15.185 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.350 13.750 -13.664 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.688 14.422 -15.760 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.434 15.007 -14.234 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.602 15.343 -15.284 1.00 0.00 C ATOM 0 H PHE A 244 -5.932 11.132 -14.514 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.025 11.868 -11.868 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.446 10.700 -14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.194 11.318 -12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.893 12.453 -15.561 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -10.003 13.492 -12.844 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.036 14.682 -16.581 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.149 15.725 -13.859 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.666 16.324 -15.732 1.00 0.00 H new ATOM 386 N CYS A 245 -7.357 9.548 -11.009 1.00 0.00 N ATOM 387 CA CYS A 245 -7.341 8.210 -10.429 1.00 0.00 C ATOM 388 C CYS A 245 -8.191 7.249 -11.256 1.00 0.00 C ATOM 389 O CYS A 245 -9.344 7.539 -11.571 1.00 0.00 O ATOM 390 CB CYS A 245 -7.853 8.250 -8.988 1.00 0.00 C ATOM 391 SG CYS A 245 -7.165 6.946 -7.918 1.00 0.00 S ATOM 0 H CYS A 245 -7.675 10.279 -10.373 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.312 7.852 -10.432 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.616 9.222 -8.556 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.939 8.162 -8.997 1.00 0.00 H new ATOM 396 N GLU A 246 -7.611 6.104 -11.603 1.00 0.00 N ATOM 397 CA GLU A 246 -8.314 5.101 -12.393 1.00 0.00 C ATOM 398 C GLU A 246 -9.118 4.166 -11.494 1.00 0.00 C ATOM 399 O GLU A 246 -9.697 3.184 -11.960 1.00 0.00 O ATOM 400 CB GLU A 246 -7.322 4.292 -13.231 1.00 0.00 C ATOM 401 CG GLU A 246 -6.665 5.096 -14.340 1.00 0.00 C ATOM 402 CD GLU A 246 -7.581 5.308 -15.530 1.00 0.00 C ATOM 403 OE1 GLU A 246 -8.684 4.722 -15.541 1.00 0.00 O ATOM 404 OE2 GLU A 246 -7.195 6.059 -16.449 1.00 0.00 O ATOM 0 H GLU A 246 -6.657 5.849 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.004 5.619 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.548 3.892 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.840 3.440 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -6.356 6.065 -13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -5.761 4.583 -14.669 1.00 0.00 H new ATOM 411 N HIS A 247 -9.148 4.477 -10.202 1.00 0.00 N ATOM 412 CA HIS A 247 -9.881 3.666 -9.237 1.00 0.00 C ATOM 413 C HIS A 247 -11.102 4.416 -8.712 1.00 0.00 C ATOM 414 O HIS A 247 -12.240 4.070 -9.030 1.00 0.00 O ATOM 415 CB HIS A 247 -8.970 3.273 -8.074 1.00 0.00 C ATOM 416 CG HIS A 247 -9.703 2.662 -6.919 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.332 3.236 -5.867 1.00 0.00 N flip ATOM 418 CD2 HIS A 247 -9.847 1.301 -6.754 1.00 0.00 C flip ATOM 419 CE1 HIS A 247 -10.842 2.221 -5.094 1.00 0.00 C flip ATOM 420 NE2 HIS A 247 -10.536 1.063 -5.652 1.00 0.00 N flip ATOM 0 H HIS A 247 -8.673 5.285 -9.799 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.222 2.763 -9.743 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.221 2.567 -8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.435 4.157 -7.727 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.412 4.236 -5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -9.457 0.547 -7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.402 2.349 -4.179 1.00 0.00 H new ATOM 428 N CYS A 248 -10.857 5.443 -7.905 1.00 0.00 N ATOM 429 CA CYS A 248 -11.935 6.241 -7.334 1.00 0.00 C ATOM 430 C CYS A 248 -12.527 7.182 -8.379 1.00 0.00 C ATOM 431 O CYS A 248 -13.722 7.474 -8.361 1.00 0.00 O ATOM 432 CB CYS A 248 -11.423 7.047 -6.139 1.00 0.00 C ATOM 433 SG CYS A 248 -10.251 8.370 -6.581 1.00 0.00 S ATOM 0 H CYS A 248 -9.921 5.742 -7.632 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.718 5.561 -6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.274 7.489 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.940 6.368 -5.437 1.00 0.00 H new ATOM 438 N GLY A 249 -11.682 7.653 -9.291 1.00 0.00 N ATOM 439 CA GLY A 249 -12.140 8.555 -10.332 1.00 0.00 C ATOM 440 C GLY A 249 -12.085 10.008 -9.904 1.00 0.00 C ATOM 441 O GLY A 249 -12.982 10.791 -10.221 1.00 0.00 O ATOM 0 H GLY A 249 -10.688 7.426 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.527 8.418 -11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.163 8.299 -10.607 1.00 0.00 H new ATOM 445 N THR A 250 -11.031 10.372 -9.180 1.00 0.00 N ATOM 446 CA THR A 250 -10.865 11.739 -8.706 1.00 0.00 C ATOM 447 C THR A 250 -9.420 12.202 -8.858 1.00 0.00 C ATOM 448 O THR A 250 -8.489 11.398 -8.793 1.00 0.00 O ATOM 449 CB THR A 250 -11.283 11.877 -7.230 1.00 0.00 C ATOM 450 OG1 THR A 250 -10.328 11.223 -6.387 1.00 0.00 O ATOM 451 CG2 THR A 250 -12.663 11.279 -7.001 1.00 0.00 C ATOM 0 H THR A 250 -10.279 9.738 -8.909 1.00 0.00 H new ATOM 0 HA THR A 250 -11.512 12.366 -9.319 1.00 0.00 H new ATOM 0 HB THR A 250 -11.318 12.938 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.991 10.420 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.937 11.388 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 250 -13.392 11.799 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.650 10.221 -7.265 1.00 0.00 H new ATOM 459 N LEU A 251 -9.239 13.503 -9.060 1.00 0.00 N ATOM 460 CA LEU A 251 -7.906 14.073 -9.220 1.00 0.00 C ATOM 461 C LEU A 251 -7.087 13.912 -7.943 1.00 0.00 C ATOM 462 O LEU A 251 -7.591 13.434 -6.926 1.00 0.00 O ATOM 463 CB LEU A 251 -8.005 15.553 -9.593 1.00 0.00 C ATOM 464 CG LEU A 251 -8.170 15.861 -11.082 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.507 17.329 -11.290 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.908 15.488 -11.847 1.00 0.00 C ATOM 0 H LEU A 251 -9.998 14.182 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.402 13.535 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.850 15.986 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.108 16.058 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.995 15.262 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.621 17.529 -12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.438 17.565 -10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.704 17.947 -10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.044 15.714 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -6.065 16.060 -11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.711 14.423 -11.726 1.00 0.00 H new ATOM 478 N LEU A 252 -5.823 14.317 -8.002 1.00 0.00 N ATOM 479 CA LEU A 252 -4.934 14.220 -6.850 1.00 0.00 C ATOM 480 C LEU A 252 -3.807 15.243 -6.944 1.00 0.00 C ATOM 481 O LEU A 252 -3.407 15.642 -8.038 1.00 0.00 O ATOM 482 CB LEU A 252 -4.351 12.810 -6.748 1.00 0.00 C ATOM 483 CG LEU A 252 -3.161 12.508 -7.659 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.638 11.102 -7.407 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.551 12.680 -9.120 1.00 0.00 C ATOM 0 H LEU A 252 -5.391 14.716 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 252 -5.517 14.431 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -4.045 12.639 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -5.143 12.094 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 252 -2.364 13.216 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -1.791 10.905 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.319 11.013 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -3.428 10.379 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -2.692 12.461 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.365 11.996 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.876 13.706 -9.291 1.00 0.00 H new ATOM 497 N TRP A 253 -3.298 15.662 -5.791 1.00 0.00 N ATOM 498 CA TRP A 253 -2.214 16.638 -5.744 1.00 0.00 C ATOM 499 C TRP A 253 -1.413 16.499 -4.455 1.00 0.00 C ATOM 500 O TRP A 253 -1.901 15.957 -3.464 1.00 0.00 O ATOM 501 CB TRP A 253 -2.772 18.057 -5.863 1.00 0.00 C ATOM 502 CG TRP A 253 -4.010 18.140 -6.704 1.00 0.00 C ATOM 503 CD1 TRP A 253 -4.126 18.721 -7.935 1.00 0.00 C ATOM 504 CD2 TRP A 253 -5.306 17.628 -6.376 1.00 0.00 C ATOM 505 NE1 TRP A 253 -5.417 18.600 -8.391 1.00 0.00 N ATOM 506 CE2 TRP A 253 -6.160 17.933 -7.454 1.00 0.00 C ATOM 507 CE3 TRP A 253 -5.827 16.940 -5.277 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -7.505 17.574 -7.462 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -7.163 16.584 -5.287 1.00 0.00 C ATOM 510 CH2 TRP A 253 -7.989 16.901 -6.373 1.00 0.00 C ATOM 0 H TRP A 253 -3.618 15.342 -4.877 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.548 16.446 -6.586 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -2.993 18.438 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -2.007 18.706 -6.290 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -3.322 19.204 -8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -5.765 18.950 -9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -5.198 16.691 -4.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -8.144 17.818 -8.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -7.577 16.052 -4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -9.028 16.609 -6.351 1.00 0.00 H new ATOM 521 N GLY A 254 -0.179 16.993 -4.474 1.00 0.00 N ATOM 522 CA GLY A 254 0.670 16.915 -3.299 1.00 0.00 C ATOM 523 C GLY A 254 2.145 16.969 -3.645 1.00 0.00 C ATOM 524 O GLY A 254 2.512 17.215 -4.795 1.00 0.00 O ATOM 0 H GLY A 254 0.248 17.446 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.428 17.736 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.459 15.990 -2.763 1.00 0.00 H new ATOM 528 N LEU A 255 2.993 16.740 -2.649 1.00 0.00 N ATOM 529 CA LEU A 255 4.438 16.766 -2.852 1.00 0.00 C ATOM 530 C LEU A 255 4.851 15.785 -3.945 1.00 0.00 C ATOM 531 O LEU A 255 4.012 15.098 -4.526 1.00 0.00 O ATOM 532 CB LEU A 255 5.163 16.430 -1.548 1.00 0.00 C ATOM 533 CG LEU A 255 6.322 17.351 -1.168 1.00 0.00 C ATOM 534 CD1 LEU A 255 5.814 18.555 -0.389 1.00 0.00 C ATOM 535 CD2 LEU A 255 7.364 16.592 -0.359 1.00 0.00 C ATOM 0 H LEU A 255 2.706 16.534 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 255 4.718 17.771 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.435 16.442 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.543 15.411 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 255 6.792 17.708 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 255 6.653 19.199 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 255 5.106 19.113 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 255 5.318 18.217 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 255 8.182 17.264 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 255 6.907 16.205 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 255 7.751 15.763 -0.951 1.00 0.00 H new ATOM 547 N ALA A 256 6.150 15.724 -4.217 1.00 0.00 N ATOM 548 CA ALA A 256 6.676 14.824 -5.236 1.00 0.00 C ATOM 549 C ALA A 256 6.023 13.448 -5.143 1.00 0.00 C ATOM 550 O ALA A 256 5.807 12.784 -6.157 1.00 0.00 O ATOM 551 CB ALA A 256 8.187 14.703 -5.106 1.00 0.00 C ATOM 0 H ALA A 256 6.858 16.287 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 256 6.440 15.245 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.565 14.028 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.643 15.685 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.437 14.309 -4.121 1.00 0.00 H new ATOM 557 N ARG A 257 5.713 13.027 -3.922 1.00 0.00 N ATOM 558 CA ARG A 257 5.087 11.730 -3.697 1.00 0.00 C ATOM 559 C ARG A 257 3.645 11.728 -4.197 1.00 0.00 C ATOM 560 O ARG A 257 2.704 11.676 -3.405 1.00 0.00 O ATOM 561 CB ARG A 257 5.123 11.373 -2.210 1.00 0.00 C ATOM 562 CG ARG A 257 6.433 11.734 -1.528 1.00 0.00 C ATOM 563 CD ARG A 257 7.628 11.206 -2.305 1.00 0.00 C ATOM 564 NE ARG A 257 8.865 11.891 -1.939 1.00 0.00 N ATOM 565 CZ ARG A 257 10.056 11.572 -2.433 1.00 0.00 C ATOM 566 NH1 ARG A 257 10.171 10.583 -3.309 1.00 0.00 N ATOM 567 NH2 ARG A 257 11.135 12.243 -2.052 1.00 0.00 N ATOM 0 H ARG A 257 5.885 13.565 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 257 5.649 10.982 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 257 4.306 11.885 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.947 10.303 -2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 257 6.509 12.817 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 257 6.444 11.324 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 257 7.737 10.137 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 257 7.448 11.328 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 257 8.811 12.656 -1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 257 9.344 10.065 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 257 11.087 10.340 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 257 11.051 13.005 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 257 12.049 11.997 -2.432 1.00 0.00 H new ATOM 581 N GLN A 258 3.481 11.786 -5.514 1.00 0.00 N ATOM 582 CA GLN A 258 2.154 11.793 -6.119 1.00 0.00 C ATOM 583 C GLN A 258 1.631 10.371 -6.300 1.00 0.00 C ATOM 584 O GLN A 258 2.189 9.587 -7.067 1.00 0.00 O ATOM 585 CB GLN A 258 2.188 12.512 -7.468 1.00 0.00 C ATOM 586 CG GLN A 258 2.107 14.025 -7.353 1.00 0.00 C ATOM 587 CD GLN A 258 0.678 14.532 -7.323 1.00 0.00 C ATOM 588 OE1 GLN A 258 -0.019 14.398 -6.317 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.234 15.118 -8.429 1.00 0.00 N ATOM 0 H GLN A 258 4.250 11.829 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 258 1.480 12.326 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.107 12.244 -7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.359 12.158 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 258 2.621 14.345 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.632 14.478 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 258 0.846 15.208 -9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.719 15.478 -8.468 1.00 0.00 H new ATOM 598 N GLY A 259 0.557 10.045 -5.587 1.00 0.00 N ATOM 599 CA GLY A 259 -0.022 8.718 -5.683 1.00 0.00 C ATOM 600 C GLY A 259 1.025 7.642 -5.884 1.00 0.00 C ATOM 601 O GLY A 259 2.141 7.747 -5.373 1.00 0.00 O ATOM 0 H GLY A 259 0.078 10.676 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.588 8.505 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.729 8.692 -6.513 1.00 0.00 H new ATOM 605 N LEU A 260 0.667 6.602 -6.629 1.00 0.00 N ATOM 606 CA LEU A 260 1.584 5.499 -6.896 1.00 0.00 C ATOM 607 C LEU A 260 1.335 4.906 -8.279 1.00 0.00 C ATOM 608 O LEU A 260 0.198 4.604 -8.641 1.00 0.00 O ATOM 609 CB LEU A 260 1.433 4.414 -5.828 1.00 0.00 C ATOM 610 CG LEU A 260 1.324 4.904 -4.384 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.516 3.924 -3.547 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.707 5.107 -3.784 1.00 0.00 C ATOM 0 H LEU A 260 -0.252 6.499 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 260 2.601 5.890 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.545 3.826 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.288 3.741 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 260 0.806 5.863 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.449 4.290 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.486 3.829 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.005 2.950 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.610 5.456 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.251 4.163 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.252 5.848 -4.369 1.00 0.00 H new ATOM 624 N LYS A 261 2.407 4.739 -9.047 1.00 0.00 N ATOM 625 CA LYS A 261 2.307 4.179 -10.389 1.00 0.00 C ATOM 626 C LYS A 261 2.739 2.716 -10.401 1.00 0.00 C ATOM 627 O LYS A 261 3.886 2.394 -10.090 1.00 0.00 O ATOM 628 CB LYS A 261 3.167 4.984 -11.366 1.00 0.00 C ATOM 629 CG LYS A 261 3.229 4.383 -12.759 1.00 0.00 C ATOM 630 CD LYS A 261 4.545 4.705 -13.447 1.00 0.00 C ATOM 631 CE LYS A 261 4.568 6.135 -13.964 1.00 0.00 C ATOM 632 NZ LYS A 261 5.957 6.619 -14.197 1.00 0.00 N ATOM 0 H LYS A 261 3.355 4.984 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 261 1.264 4.235 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.772 5.998 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.179 5.062 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.105 3.302 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.402 4.764 -13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.368 4.556 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.702 4.015 -14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 261 4.002 6.194 -14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 261 4.071 6.788 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 6.197 7.340 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.620 5.822 -14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 6.025 7.034 -15.148 1.00 0.00 H new ATOM 646 N CYS A 262 1.814 1.833 -10.764 1.00 0.00 N ATOM 647 CA CYS A 262 2.099 0.405 -10.818 1.00 0.00 C ATOM 648 C CYS A 262 3.147 0.099 -11.884 1.00 0.00 C ATOM 649 O CYS A 262 2.853 0.112 -13.080 1.00 0.00 O ATOM 650 CB CYS A 262 0.818 -0.381 -11.106 1.00 0.00 C ATOM 651 SG CYS A 262 0.929 -2.155 -10.706 1.00 0.00 S ATOM 0 H CYS A 262 0.860 2.082 -11.025 1.00 0.00 H new ATOM 0 HA CYS A 262 2.494 0.102 -9.848 1.00 0.00 H new ATOM 0 HB2 CYS A 262 -0.001 0.058 -10.537 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.567 -0.272 -12.161 1.00 0.00 H new ATOM 656 N ASP A 263 4.369 -0.175 -11.443 1.00 0.00 N ATOM 657 CA ASP A 263 5.461 -0.486 -12.358 1.00 0.00 C ATOM 658 C ASP A 263 5.115 -1.689 -13.229 1.00 0.00 C ATOM 659 O ASP A 263 5.726 -1.908 -14.274 1.00 0.00 O ATOM 660 CB ASP A 263 6.748 -0.759 -11.577 1.00 0.00 C ATOM 661 CG ASP A 263 7.991 -0.402 -12.368 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.060 0.732 -12.886 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.896 -1.258 -12.469 1.00 0.00 O ATOM 0 H ASP A 263 4.629 -0.188 -10.457 1.00 0.00 H new ATOM 0 HA ASP A 263 5.615 0.377 -13.006 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.735 -0.187 -10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.786 -1.813 -11.302 1.00 0.00 H new ATOM 668 N ALA A 264 4.131 -2.467 -12.790 1.00 0.00 N ATOM 669 CA ALA A 264 3.703 -3.648 -13.529 1.00 0.00 C ATOM 670 C ALA A 264 2.858 -3.262 -14.738 1.00 0.00 C ATOM 671 O ALA A 264 3.313 -3.346 -15.879 1.00 0.00 O ATOM 672 CB ALA A 264 2.927 -4.589 -12.619 1.00 0.00 C ATOM 0 H ALA A 264 3.615 -2.300 -11.926 1.00 0.00 H new ATOM 0 HA ALA A 264 4.594 -4.163 -13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.614 -5.466 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.563 -4.900 -11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.048 -4.076 -12.230 1.00 0.00 H new ATOM 678 N CYS A 265 1.625 -2.839 -14.481 1.00 0.00 N ATOM 679 CA CYS A 265 0.714 -2.441 -15.548 1.00 0.00 C ATOM 680 C CYS A 265 0.919 -0.975 -15.919 1.00 0.00 C ATOM 681 O CYS A 265 0.921 -0.616 -17.096 1.00 0.00 O ATOM 682 CB CYS A 265 -0.737 -2.673 -15.122 1.00 0.00 C ATOM 683 SG CYS A 265 -1.232 -1.747 -13.635 1.00 0.00 S ATOM 0 H CYS A 265 1.233 -2.763 -13.542 1.00 0.00 H new ATOM 0 HA CYS A 265 0.930 -3.053 -16.424 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.395 -2.396 -15.946 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.885 -3.737 -14.940 1.00 0.00 H new ATOM 688 N GLY A 266 1.091 -0.132 -14.905 1.00 0.00 N ATOM 689 CA GLY A 266 1.294 1.284 -15.144 1.00 0.00 C ATOM 690 C GLY A 266 0.042 2.100 -14.893 1.00 0.00 C ATOM 691 O GLY A 266 -0.473 2.755 -15.800 1.00 0.00 O ATOM 0 H GLY A 266 1.093 -0.405 -13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.095 1.647 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.620 1.432 -16.173 1.00 0.00 H new ATOM 695 N MET A 267 -0.451 2.060 -13.660 1.00 0.00 N ATOM 696 CA MET A 267 -1.652 2.801 -13.293 1.00 0.00 C ATOM 697 C MET A 267 -1.387 3.707 -12.094 1.00 0.00 C ATOM 698 O MET A 267 -1.024 3.236 -11.017 1.00 0.00 O ATOM 699 CB MET A 267 -2.796 1.836 -12.975 1.00 0.00 C ATOM 700 CG MET A 267 -4.162 2.502 -12.942 1.00 0.00 C ATOM 701 SD MET A 267 -5.515 1.311 -12.900 1.00 0.00 S ATOM 702 CE MET A 267 -4.850 0.083 -11.779 1.00 0.00 C ATOM 0 H MET A 267 -0.038 1.522 -12.898 1.00 0.00 H new ATOM 0 HA MET A 267 -1.937 3.424 -14.141 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.807 1.040 -13.720 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.606 1.366 -12.010 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.225 3.149 -12.067 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.272 3.140 -13.819 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.606 -0.676 -11.581 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.975 -0.385 -12.230 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.563 0.562 -10.843 1.00 0.00 H new ATOM 712 N ASN A 268 -1.571 5.008 -12.289 1.00 0.00 N ATOM 713 CA ASN A 268 -1.350 5.980 -11.223 1.00 0.00 C ATOM 714 C ASN A 268 -2.630 6.211 -10.425 1.00 0.00 C ATOM 715 O ASN A 268 -3.647 6.636 -10.972 1.00 0.00 O ATOM 716 CB ASN A 268 -0.853 7.304 -11.807 1.00 0.00 C ATOM 717 CG ASN A 268 0.209 7.105 -12.870 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.567 5.974 -13.202 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.719 8.205 -13.410 1.00 0.00 N ATOM 0 H ASN A 268 -1.872 5.414 -13.175 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.591 5.580 -10.551 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -1.695 7.847 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -0.449 7.923 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 268 1.437 8.134 -14.131 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.393 9.122 -13.104 1.00 0.00 H new ATOM 726 N VAL A 269 -2.570 5.929 -9.127 1.00 0.00 N ATOM 727 CA VAL A 269 -3.723 6.108 -8.253 1.00 0.00 C ATOM 728 C VAL A 269 -3.313 6.736 -6.925 1.00 0.00 C ATOM 729 O VAL A 269 -2.136 7.018 -6.697 1.00 0.00 O ATOM 730 CB VAL A 269 -4.431 4.768 -7.977 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.904 4.136 -9.277 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.509 3.824 -7.220 1.00 0.00 C ATOM 0 H VAL A 269 -1.736 5.576 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.412 6.775 -8.770 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.306 4.961 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.402 3.190 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.602 4.808 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.048 3.956 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -4.026 2.882 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.614 3.636 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.226 4.277 -6.270 1.00 0.00 H new ATOM 742 N HIS A 270 -4.292 6.953 -6.052 1.00 0.00 N ATOM 743 CA HIS A 270 -4.033 7.547 -4.746 1.00 0.00 C ATOM 744 C HIS A 270 -3.278 6.574 -3.846 1.00 0.00 C ATOM 745 O HIS A 270 -3.201 5.379 -4.133 1.00 0.00 O ATOM 746 CB HIS A 270 -5.346 7.961 -4.081 1.00 0.00 C ATOM 747 CG HIS A 270 -5.889 9.263 -4.585 1.00 0.00 C ATOM 748 ND1 HIS A 270 -7.035 9.356 -5.347 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.437 10.529 -4.431 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.263 10.624 -5.641 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.308 11.356 -5.097 1.00 0.00 N ATOM 0 H HIS A 270 -5.271 6.726 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.414 8.432 -4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -6.088 7.180 -4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -5.191 8.034 -3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.555 10.833 -3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -8.090 10.998 -6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -6.230 12.371 -5.161 1.00 0.00 H new ATOM 759 N HIS A 271 -2.721 7.093 -2.756 1.00 0.00 N ATOM 760 CA HIS A 271 -1.971 6.270 -1.814 1.00 0.00 C ATOM 761 C HIS A 271 -2.869 5.208 -1.187 1.00 0.00 C ATOM 762 O HIS A 271 -2.415 4.112 -0.858 1.00 0.00 O ATOM 763 CB HIS A 271 -1.353 7.142 -0.721 1.00 0.00 C ATOM 764 CG HIS A 271 -0.056 7.775 -1.122 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.077 8.581 -2.233 1.00 0.00 N ATOM 766 CD2 HIS A 271 1.170 7.718 -0.552 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.329 8.991 -2.330 1.00 0.00 C ATOM 768 NE2 HIS A 271 2.013 8.482 -1.321 1.00 0.00 N ATOM 0 H HIS A 271 -2.775 8.080 -2.503 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.173 5.769 -2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.061 7.925 -0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.191 6.534 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 271 1.436 7.173 0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 271 1.726 9.633 -3.103 1.00 0.00 H new ATOM 0 HE2 HIS A 271 3.006 8.632 -1.142 1.00 0.00 H new ATOM 776 N ARG A 272 -4.146 5.540 -1.024 1.00 0.00 N ATOM 777 CA ARG A 272 -5.107 4.616 -0.434 1.00 0.00 C ATOM 778 C ARG A 272 -5.797 3.787 -1.514 1.00 0.00 C ATOM 779 O ARG A 272 -5.902 2.565 -1.401 1.00 0.00 O ATOM 780 CB ARG A 272 -6.151 5.383 0.380 1.00 0.00 C ATOM 781 CG ARG A 272 -6.910 4.514 1.370 1.00 0.00 C ATOM 782 CD ARG A 272 -7.676 5.357 2.377 1.00 0.00 C ATOM 783 NE ARG A 272 -6.802 6.280 3.096 1.00 0.00 N ATOM 784 CZ ARG A 272 -7.248 7.266 3.866 1.00 0.00 C ATOM 785 NH1 ARG A 272 -8.552 7.455 4.017 1.00 0.00 N ATOM 786 NH2 ARG A 272 -6.390 8.065 4.487 1.00 0.00 N ATOM 0 H ARG A 272 -4.539 6.442 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.565 3.941 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.656 6.189 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.862 5.847 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.604 3.868 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.211 3.863 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -8.453 5.921 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -8.178 4.703 3.090 1.00 0.00 H new ATOM 0 HE ARG A 272 -5.793 6.161 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -9.215 6.842 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -8.892 8.213 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -5.386 7.922 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -6.734 8.822 5.078 1.00 0.00 H new ATOM 800 N CYS A 273 -6.266 4.460 -2.560 1.00 0.00 N ATOM 801 CA CYS A 273 -6.946 3.787 -3.659 1.00 0.00 C ATOM 802 C CYS A 273 -6.120 2.611 -4.172 1.00 0.00 C ATOM 803 O CYS A 273 -6.668 1.606 -4.625 1.00 0.00 O ATOM 804 CB CYS A 273 -7.215 4.771 -4.799 1.00 0.00 C ATOM 805 SG CYS A 273 -8.431 6.066 -4.392 1.00 0.00 S ATOM 0 H CYS A 273 -6.187 5.471 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.896 3.405 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.276 5.246 -5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.568 4.216 -5.668 1.00 0.00 H new ATOM 810 N GLN A 274 -4.800 2.746 -4.098 1.00 0.00 N ATOM 811 CA GLN A 274 -3.898 1.695 -4.556 1.00 0.00 C ATOM 812 C GLN A 274 -4.245 0.359 -3.906 1.00 0.00 C ATOM 813 O GLN A 274 -4.161 -0.693 -4.541 1.00 0.00 O ATOM 814 CB GLN A 274 -2.448 2.066 -4.243 1.00 0.00 C ATOM 815 CG GLN A 274 -2.100 1.967 -2.766 1.00 0.00 C ATOM 816 CD GLN A 274 -1.626 0.582 -2.370 1.00 0.00 C ATOM 817 OE1 GLN A 274 -1.935 -0.406 -3.036 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.871 0.504 -1.280 1.00 0.00 N ATOM 0 H GLN A 274 -4.331 3.572 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.015 1.595 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -1.784 1.412 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.260 3.084 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -1.323 2.694 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.975 2.231 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.639 1.349 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 274 -0.523 -0.401 -0.965 1.00 0.00 H new ATOM 827 N THR A 275 -4.636 0.408 -2.636 1.00 0.00 N ATOM 828 CA THR A 275 -4.994 -0.798 -1.900 1.00 0.00 C ATOM 829 C THR A 275 -6.456 -1.167 -2.128 1.00 0.00 C ATOM 830 O THR A 275 -6.893 -2.262 -1.773 1.00 0.00 O ATOM 831 CB THR A 275 -4.749 -0.627 -0.389 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.105 0.698 0.018 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.292 -0.895 -0.044 1.00 0.00 C ATOM 0 H THR A 275 -4.713 1.270 -2.096 1.00 0.00 H new ATOM 0 HA THR A 275 -4.357 -1.599 -2.275 1.00 0.00 H new ATOM 0 HB THR A 275 -5.370 -1.348 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.782 1.057 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 275 -3.143 -0.768 1.028 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.032 -1.915 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 275 -2.655 -0.194 -0.584 1.00 0.00 H new ATOM 841 N LYS A 276 -7.208 -0.248 -2.722 1.00 0.00 N ATOM 842 CA LYS A 276 -8.621 -0.476 -3.000 1.00 0.00 C ATOM 843 C LYS A 276 -8.805 -1.173 -4.344 1.00 0.00 C ATOM 844 O LYS A 276 -9.820 -1.828 -4.581 1.00 0.00 O ATOM 845 CB LYS A 276 -9.385 0.850 -2.992 1.00 0.00 C ATOM 846 CG LYS A 276 -9.160 1.673 -1.735 1.00 0.00 C ATOM 847 CD LYS A 276 -10.176 1.334 -0.658 1.00 0.00 C ATOM 848 CE LYS A 276 -9.838 0.023 0.035 1.00 0.00 C ATOM 849 NZ LYS A 276 -8.379 -0.097 0.312 1.00 0.00 N ATOM 0 H LYS A 276 -6.862 0.664 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.020 -1.122 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.085 1.438 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.451 0.647 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -8.154 1.493 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.225 2.734 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.209 2.137 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.169 1.267 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -10.392 -0.047 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.159 -0.811 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -8.238 -0.492 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -7.943 -0.726 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -7.937 0.843 0.258 1.00 0.00 H new ATOM 863 N VAL A 277 -7.817 -1.029 -5.221 1.00 0.00 N ATOM 864 CA VAL A 277 -7.869 -1.646 -6.541 1.00 0.00 C ATOM 865 C VAL A 277 -7.720 -3.161 -6.445 1.00 0.00 C ATOM 866 O VAL A 277 -6.967 -3.669 -5.615 1.00 0.00 O ATOM 867 CB VAL A 277 -6.769 -1.091 -7.465 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.222 -1.126 -8.916 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.389 0.323 -7.050 1.00 0.00 C ATOM 0 H VAL A 277 -6.970 -0.490 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.844 -1.405 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.886 -1.723 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.432 -0.730 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.440 -2.154 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.120 -0.519 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.611 0.700 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.265 0.969 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.019 0.314 -6.025 1.00 0.00 H new ATOM 879 N ALA A 278 -8.443 -3.876 -7.301 1.00 0.00 N ATOM 880 CA ALA A 278 -8.390 -5.333 -7.315 1.00 0.00 C ATOM 881 C ALA A 278 -6.949 -5.829 -7.357 1.00 0.00 C ATOM 882 O ALA A 278 -6.067 -5.159 -7.894 1.00 0.00 O ATOM 883 CB ALA A 278 -9.173 -5.878 -8.500 1.00 0.00 C ATOM 0 H ALA A 278 -9.072 -3.470 -7.994 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.845 -5.698 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.125 -6.967 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.213 -5.561 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.743 -5.498 -9.426 1.00 0.00 H new ATOM 889 N ASN A 279 -6.716 -7.006 -6.786 1.00 0.00 N ATOM 890 CA ASN A 279 -5.381 -7.592 -6.758 1.00 0.00 C ATOM 891 C ASN A 279 -5.080 -8.326 -8.061 1.00 0.00 C ATOM 892 O ASN A 279 -4.501 -9.413 -8.055 1.00 0.00 O ATOM 893 CB ASN A 279 -5.248 -8.554 -5.575 1.00 0.00 C ATOM 894 CG ASN A 279 -6.193 -9.734 -5.682 1.00 0.00 C ATOM 895 OD1 ASN A 279 -6.305 -10.362 -6.735 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.881 -10.042 -4.588 1.00 0.00 N ATOM 0 H ASN A 279 -7.435 -7.573 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.660 -6.783 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.222 -8.917 -5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.446 -8.016 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.533 -10.826 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.757 -9.494 -3.736 1.00 0.00 H new ATOM 903 N LEU A 280 -5.477 -7.724 -9.177 1.00 0.00 N ATOM 904 CA LEU A 280 -5.250 -8.320 -10.489 1.00 0.00 C ATOM 905 C LEU A 280 -4.566 -7.329 -11.426 1.00 0.00 C ATOM 906 O LEU A 280 -5.196 -6.400 -11.932 1.00 0.00 O ATOM 907 CB LEU A 280 -6.576 -8.782 -11.098 1.00 0.00 C ATOM 908 CG LEU A 280 -7.469 -9.632 -10.194 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.341 -8.745 -9.318 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.328 -10.573 -11.025 1.00 0.00 C ATOM 0 H LEU A 280 -5.957 -6.824 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.596 -9.182 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.138 -7.900 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.359 -9.353 -12.001 1.00 0.00 H new ATOM 0 HG LEU A 280 -6.830 -10.232 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -8.970 -9.368 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -7.708 -8.113 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.971 -8.118 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.957 -11.170 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -8.958 -9.992 -11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -7.685 -11.233 -11.608 1.00 0.00 H new ATOM 922 N CYS A 281 -3.273 -7.535 -11.654 1.00 0.00 N ATOM 923 CA CYS A 281 -2.502 -6.662 -12.531 1.00 0.00 C ATOM 924 C CYS A 281 -2.468 -7.213 -13.953 1.00 0.00 C ATOM 925 O CYS A 281 -2.355 -8.420 -14.160 1.00 0.00 O ATOM 926 CB CYS A 281 -1.076 -6.501 -12.000 1.00 0.00 C ATOM 927 SG CYS A 281 -0.137 -5.153 -12.787 1.00 0.00 S ATOM 0 H CYS A 281 -2.737 -8.299 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.988 -5.686 -12.550 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.118 -6.321 -10.926 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.538 -7.438 -12.146 1.00 0.00 H new ATOM 932 N GLY A 282 -2.566 -6.318 -14.931 1.00 0.00 N ATOM 933 CA GLY A 282 -2.544 -6.733 -16.322 1.00 0.00 C ATOM 934 C GLY A 282 -3.924 -7.082 -16.844 1.00 0.00 C ATOM 935 O GLY A 282 -4.227 -6.855 -18.016 1.00 0.00 O ATOM 0 H GLY A 282 -2.660 -5.313 -14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.120 -5.934 -16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.889 -7.597 -16.430 1.00 0.00 H new ATOM 939 N ILE A 283 -4.761 -7.637 -15.975 1.00 0.00 N ATOM 940 CA ILE A 283 -6.115 -8.019 -16.356 1.00 0.00 C ATOM 941 C ILE A 283 -6.940 -6.798 -16.749 1.00 0.00 C ATOM 942 O ILE A 283 -7.978 -6.921 -17.398 1.00 0.00 O ATOM 943 CB ILE A 283 -6.832 -8.763 -15.214 1.00 0.00 C ATOM 944 CG1 ILE A 283 -6.172 -10.121 -14.967 1.00 0.00 C ATOM 945 CG2 ILE A 283 -8.308 -8.938 -15.540 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.910 -10.037 -14.138 1.00 0.00 C ATOM 0 H ILE A 283 -4.526 -7.832 -15.002 1.00 0.00 H new ATOM 0 HA ILE A 283 -6.026 -8.686 -17.214 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.748 -8.168 -14.304 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -6.884 -10.776 -14.465 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.937 -10.582 -15.927 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.801 -9.465 -14.723 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.770 -7.960 -15.671 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -8.412 -9.514 -16.459 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -4.496 -11.036 -14.003 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.181 -9.408 -14.648 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -5.142 -9.606 -13.164 1.00 0.00 H new ATOM 958 N ASN A 284 -6.470 -5.620 -16.352 1.00 0.00 N ATOM 959 CA ASN A 284 -7.164 -4.376 -16.664 1.00 0.00 C ATOM 960 C ASN A 284 -6.230 -3.393 -17.363 1.00 0.00 C ATOM 961 O ASN A 284 -5.200 -3.002 -16.814 1.00 0.00 O ATOM 962 CB ASN A 284 -7.724 -3.746 -15.388 1.00 0.00 C ATOM 963 CG ASN A 284 -9.061 -4.338 -14.989 1.00 0.00 C ATOM 964 OD1 ASN A 284 -9.244 -5.555 -15.007 1.00 0.00 O ATOM 965 ND2 ASN A 284 -10.005 -3.477 -14.626 1.00 0.00 N ATOM 0 H ASN A 284 -5.612 -5.501 -15.814 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.989 -4.608 -17.338 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.011 -3.884 -14.575 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.835 -2.672 -15.535 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.925 -3.817 -14.347 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.809 -2.476 -14.626 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.783 -3.130 -11.795 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -8.096 7.700 -5.927 1.00 0.00 ZN