USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 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 -7:sc= 0.632 USER MOD Set 1.2: A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 239 TYR OH : rot -140:sc= -0.333 USER MOD Set 2.2: A 268 ASN :FLIP amide:sc= -2.38! C(o=-4.9!,f=-2.7!) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 6:sc= 0.0762 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0165) USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= 0.0994 K(o=0.099,f=-6.3!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 HIS :FLIP no HE2:sc= -5.73! C(o=-6.8!,f=-5.7!) USER MOD Single : A 250 THR OG1 : rot 93:sc= 1.38 USER MOD Single : A 258 GLN : amide:sc= -1.28 K(o=-1.3,f=-10!) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 163:sc= -1.26 (180deg=-2.24) USER MOD Single : A 271 HIS : no HD1:sc= 0.468 K(o=0.47,f=-4.2!) USER MOD Single : A 274 GLN : amide:sc= -6.1! C(o=-6.1!,f=-7.4!) USER MOD Single : A 279 ASN : amide:sc= -1.24! C(o=-1.2!,f=-5.2!) USER MOD Single : A 284 ASN : amide:sc= -0.956 K(o=-0.96,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -3.106 -40.254 -7.823 1.00 0.00 N ATOM 2 CA GLY A 220 -1.818 -39.593 -7.720 1.00 0.00 C ATOM 3 C GLY A 220 -1.678 -38.793 -6.440 1.00 0.00 C ATOM 4 O GLY A 220 -1.789 -39.339 -5.343 1.00 0.00 O ATOM 0 HA2 GLY A 220 -1.025 -40.340 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -1.683 -38.931 -8.575 1.00 0.00 H new ATOM 8 N SER A 221 -1.432 -37.494 -6.580 1.00 0.00 N ATOM 9 CA SER A 221 -1.270 -36.618 -5.426 1.00 0.00 C ATOM 10 C SER A 221 -2.450 -35.658 -5.303 1.00 0.00 C ATOM 11 O SER A 221 -3.101 -35.328 -6.294 1.00 0.00 O ATOM 12 CB SER A 221 0.035 -35.828 -5.537 1.00 0.00 C ATOM 13 OG SER A 221 0.227 -34.998 -4.404 1.00 0.00 O ATOM 0 H SER A 221 -1.341 -37.025 -7.481 1.00 0.00 H new ATOM 0 HA SER A 221 -1.234 -37.240 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.874 -36.517 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 221 0.019 -35.218 -6.440 1.00 0.00 H new ATOM 0 HG SER A 221 1.069 -34.505 -4.498 1.00 0.00 H new ATOM 19 N SER A 222 -2.719 -35.214 -4.079 1.00 0.00 N ATOM 20 CA SER A 222 -3.822 -34.295 -3.825 1.00 0.00 C ATOM 21 C SER A 222 -3.462 -33.307 -2.720 1.00 0.00 C ATOM 22 O SER A 222 -3.109 -33.702 -1.609 1.00 0.00 O ATOM 23 CB SER A 222 -5.082 -35.073 -3.439 1.00 0.00 C ATOM 24 OG SER A 222 -5.653 -35.712 -4.567 1.00 0.00 O ATOM 0 H SER A 222 -2.188 -35.476 -3.248 1.00 0.00 H new ATOM 0 HA SER A 222 -4.015 -33.735 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 222 -4.836 -35.817 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 222 -5.810 -34.395 -2.994 1.00 0.00 H new ATOM 0 HG SER A 222 -5.065 -35.595 -5.342 1.00 0.00 H new ATOM 30 N GLY A 223 -3.554 -32.018 -3.034 1.00 0.00 N ATOM 31 CA GLY A 223 -3.235 -30.992 -2.058 1.00 0.00 C ATOM 32 C GLY A 223 -4.107 -29.761 -2.206 1.00 0.00 C ATOM 33 O GLY A 223 -4.921 -29.675 -3.124 1.00 0.00 O ATOM 0 H GLY A 223 -3.844 -31.666 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -3.355 -31.400 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.188 -30.707 -2.164 1.00 0.00 H new ATOM 37 N SER A 224 -3.936 -28.805 -1.297 1.00 0.00 N ATOM 38 CA SER A 224 -4.718 -27.575 -1.327 1.00 0.00 C ATOM 39 C SER A 224 -4.171 -26.609 -2.374 1.00 0.00 C ATOM 40 O SER A 224 -2.959 -26.478 -2.541 1.00 0.00 O ATOM 41 CB SER A 224 -4.712 -26.908 0.050 1.00 0.00 C ATOM 42 OG SER A 224 -5.502 -27.638 0.973 1.00 0.00 O ATOM 0 H SER A 224 -3.264 -28.859 -0.532 1.00 0.00 H new ATOM 0 HA SER A 224 -5.743 -27.832 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 224 -3.689 -26.837 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 224 -5.092 -25.890 -0.034 1.00 0.00 H new ATOM 0 HG SER A 224 -5.481 -27.193 1.846 1.00 0.00 H new ATOM 48 N SER A 225 -5.075 -25.935 -3.078 1.00 0.00 N ATOM 49 CA SER A 225 -4.685 -24.984 -4.112 1.00 0.00 C ATOM 50 C SER A 225 -3.904 -23.819 -3.512 1.00 0.00 C ATOM 51 O SER A 225 -3.811 -23.681 -2.293 1.00 0.00 O ATOM 52 CB SER A 225 -5.922 -24.459 -4.845 1.00 0.00 C ATOM 53 OG SER A 225 -6.622 -25.514 -5.481 1.00 0.00 O ATOM 0 H SER A 225 -6.083 -26.030 -2.951 1.00 0.00 H new ATOM 0 HA SER A 225 -4.042 -25.502 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 225 -6.581 -23.955 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 225 -5.623 -23.718 -5.586 1.00 0.00 H new ATOM 0 HG SER A 225 -7.409 -25.154 -5.941 1.00 0.00 H new ATOM 59 N GLY A 226 -3.343 -22.981 -4.379 1.00 0.00 N ATOM 60 CA GLY A 226 -2.577 -21.839 -3.917 1.00 0.00 C ATOM 61 C GLY A 226 -3.074 -20.532 -4.503 1.00 0.00 C ATOM 62 O GLY A 226 -3.692 -20.515 -5.567 1.00 0.00 O ATOM 0 H GLY A 226 -3.406 -23.073 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -2.627 -21.788 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -1.529 -21.977 -4.182 1.00 0.00 H new ATOM 66 N LYS A 227 -2.805 -19.433 -3.806 1.00 0.00 N ATOM 67 CA LYS A 227 -3.229 -18.114 -4.262 1.00 0.00 C ATOM 68 C LYS A 227 -2.433 -17.681 -5.489 1.00 0.00 C ATOM 69 O LYS A 227 -1.204 -17.617 -5.452 1.00 0.00 O ATOM 70 CB LYS A 227 -3.059 -17.086 -3.142 1.00 0.00 C ATOM 71 CG LYS A 227 -3.906 -17.377 -1.915 1.00 0.00 C ATOM 72 CD LYS A 227 -3.346 -16.698 -0.677 1.00 0.00 C ATOM 73 CE LYS A 227 -3.497 -15.187 -0.753 1.00 0.00 C ATOM 74 NZ LYS A 227 -4.903 -14.757 -0.518 1.00 0.00 N ATOM 0 H LYS A 227 -2.295 -19.430 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.282 -18.173 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -2.010 -17.051 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.316 -16.098 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -4.927 -17.036 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -3.953 -18.454 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -3.860 -17.072 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -2.292 -16.954 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -2.846 -14.720 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -3.170 -14.838 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -4.946 -13.719 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.505 -15.098 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -5.241 -15.153 0.382 1.00 0.00 H new ATOM 88 N ILE A 228 -3.141 -17.383 -6.573 1.00 0.00 N ATOM 89 CA ILE A 228 -2.500 -16.954 -7.810 1.00 0.00 C ATOM 90 C ILE A 228 -3.013 -15.586 -8.249 1.00 0.00 C ATOM 91 O ILE A 228 -3.761 -15.475 -9.220 1.00 0.00 O ATOM 92 CB ILE A 228 -2.733 -17.966 -8.946 1.00 0.00 C ATOM 93 CG1 ILE A 228 -4.200 -18.402 -8.978 1.00 0.00 C ATOM 94 CG2 ILE A 228 -1.821 -19.172 -8.778 1.00 0.00 C ATOM 95 CD1 ILE A 228 -4.661 -18.873 -10.339 1.00 0.00 C ATOM 0 H ILE A 228 -4.159 -17.431 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.431 -16.891 -7.606 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.495 -17.485 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -4.348 -19.205 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -4.825 -17.568 -8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -1.998 -19.878 -9.589 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -0.781 -18.847 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.030 -19.656 -7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -5.710 -19.166 -10.287 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.546 -18.065 -11.062 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -4.061 -19.728 -10.651 1.00 0.00 H new ATOM 107 N ASP A 229 -2.604 -14.548 -7.528 1.00 0.00 N ATOM 108 CA ASP A 229 -3.020 -13.186 -7.845 1.00 0.00 C ATOM 109 C ASP A 229 -1.809 -12.275 -8.016 1.00 0.00 C ATOM 110 O ASP A 229 -0.827 -12.386 -7.283 1.00 0.00 O ATOM 111 CB ASP A 229 -3.933 -12.641 -6.746 1.00 0.00 C ATOM 112 CG ASP A 229 -5.186 -13.476 -6.567 1.00 0.00 C ATOM 113 OD1 ASP A 229 -5.059 -14.707 -6.400 1.00 0.00 O ATOM 114 OD2 ASP A 229 -6.293 -12.898 -6.593 1.00 0.00 O ATOM 0 H ASP A 229 -1.985 -14.623 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 229 -3.570 -13.209 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.384 -12.608 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.214 -11.616 -6.987 1.00 0.00 H new ATOM 119 N MET A 230 -1.886 -11.374 -8.990 1.00 0.00 N ATOM 120 CA MET A 230 -0.796 -10.443 -9.258 1.00 0.00 C ATOM 121 C MET A 230 -1.201 -9.016 -8.902 1.00 0.00 C ATOM 122 O MET A 230 -1.845 -8.315 -9.683 1.00 0.00 O ATOM 123 CB MET A 230 -0.383 -10.517 -10.729 1.00 0.00 C ATOM 124 CG MET A 230 0.217 -11.856 -11.125 1.00 0.00 C ATOM 125 SD MET A 230 -1.005 -13.181 -11.166 1.00 0.00 S ATOM 126 CE MET A 230 0.038 -14.612 -10.901 1.00 0.00 C ATOM 0 H MET A 230 -2.692 -11.269 -9.607 1.00 0.00 H new ATOM 0 HA MET A 230 0.053 -10.727 -8.636 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.255 -10.320 -11.353 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.341 -9.729 -10.935 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.682 -11.765 -12.107 1.00 0.00 H new ATOM 0 HG3 MET A 230 1.007 -12.118 -10.421 1.00 0.00 H new ATOM 0 HE1 MET A 230 -0.575 -15.514 -10.900 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.777 -14.676 -11.699 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.547 -14.519 -9.942 1.00 0.00 H new ATOM 136 N PRO A 231 -0.815 -8.573 -7.696 1.00 0.00 N ATOM 137 CA PRO A 231 -1.127 -7.226 -7.210 1.00 0.00 C ATOM 138 C PRO A 231 -0.356 -6.146 -7.961 1.00 0.00 C ATOM 139 O PRO A 231 0.729 -6.396 -8.488 1.00 0.00 O ATOM 140 CB PRO A 231 -0.695 -7.269 -5.743 1.00 0.00 C ATOM 141 CG PRO A 231 0.349 -8.330 -5.686 1.00 0.00 C ATOM 142 CD PRO A 231 -0.045 -9.355 -6.714 1.00 0.00 C ATOM 0 HA PRO A 231 -2.178 -6.975 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.299 -6.307 -5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.535 -7.505 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.335 -7.919 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.400 -8.774 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.827 -9.824 -7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.645 -10.153 -6.277 1.00 0.00 H new ATOM 150 N HIS A 232 -0.921 -4.944 -8.006 1.00 0.00 N ATOM 151 CA HIS A 232 -0.285 -3.825 -8.692 1.00 0.00 C ATOM 152 C HIS A 232 0.954 -3.357 -7.935 1.00 0.00 C ATOM 153 O HIS A 232 0.860 -2.897 -6.797 1.00 0.00 O ATOM 154 CB HIS A 232 -1.271 -2.667 -8.847 1.00 0.00 C ATOM 155 CG HIS A 232 -2.476 -3.011 -9.667 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.416 -3.269 -11.020 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.777 -3.140 -9.318 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.629 -3.541 -11.468 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.473 -3.470 -10.455 1.00 0.00 N ATOM 0 H HIS A 232 -1.818 -4.720 -7.576 1.00 0.00 H new ATOM 0 HA HIS A 232 0.022 -4.165 -9.681 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.595 -2.342 -7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.758 -1.823 -9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.191 -3.008 -8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.886 -3.781 -12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.478 -3.634 -10.508 1.00 0.00 H new ATOM 167 N ARG A 233 2.113 -3.477 -8.574 1.00 0.00 N ATOM 168 CA ARG A 233 3.370 -3.069 -7.959 1.00 0.00 C ATOM 169 C ARG A 233 3.456 -1.549 -7.856 1.00 0.00 C ATOM 170 O ARG A 233 4.237 -0.911 -8.561 1.00 0.00 O ATOM 171 CB ARG A 233 4.555 -3.603 -8.766 1.00 0.00 C ATOM 172 CG ARG A 233 4.855 -5.070 -8.508 1.00 0.00 C ATOM 173 CD ARG A 233 6.298 -5.412 -8.848 1.00 0.00 C ATOM 174 NE ARG A 233 6.456 -6.816 -9.215 1.00 0.00 N ATOM 175 CZ ARG A 233 7.599 -7.340 -9.642 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.679 -6.579 -9.755 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.664 -8.628 -9.956 1.00 0.00 N ATOM 0 H ARG A 233 2.207 -3.853 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 233 3.406 -3.488 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.353 -3.463 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.440 -3.013 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.662 -5.303 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.183 -5.690 -9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.635 -4.782 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.935 -5.187 -7.993 1.00 0.00 H new ATOM 0 HE ARG A 233 5.644 -7.428 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.633 -5.589 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.556 -6.984 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.835 -9.216 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.543 -9.029 -10.284 1.00 0.00 H new ATOM 191 N PHE A 234 2.646 -0.974 -6.972 1.00 0.00 N ATOM 192 CA PHE A 234 2.629 0.471 -6.777 1.00 0.00 C ATOM 193 C PHE A 234 3.983 0.969 -6.282 1.00 0.00 C ATOM 194 O PHE A 234 4.621 0.337 -5.440 1.00 0.00 O ATOM 195 CB PHE A 234 1.534 0.859 -5.781 1.00 0.00 C ATOM 196 CG PHE A 234 0.155 0.455 -6.217 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.386 0.949 -7.394 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.601 -0.417 -5.451 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.654 0.579 -7.799 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.870 -0.791 -5.851 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.398 -0.292 -7.026 1.00 0.00 C ATOM 0 H PHE A 234 1.993 -1.487 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 234 2.419 0.940 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.751 0.398 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.557 1.938 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.190 1.631 -8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.194 -0.809 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.063 0.970 -8.719 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.448 -1.473 -5.245 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.390 -0.582 -7.340 1.00 0.00 H new ATOM 211 N LYS A 235 4.418 2.107 -6.812 1.00 0.00 N ATOM 212 CA LYS A 235 5.696 2.693 -6.425 1.00 0.00 C ATOM 213 C LYS A 235 5.627 4.217 -6.453 1.00 0.00 C ATOM 214 O LYS A 235 5.101 4.807 -7.397 1.00 0.00 O ATOM 215 CB LYS A 235 6.807 2.205 -7.358 1.00 0.00 C ATOM 216 CG LYS A 235 7.460 0.912 -6.901 1.00 0.00 C ATOM 217 CD LYS A 235 8.635 1.179 -5.974 1.00 0.00 C ATOM 218 CE LYS A 235 8.282 2.204 -4.908 1.00 0.00 C ATOM 219 NZ LYS A 235 9.467 2.584 -4.090 1.00 0.00 N ATOM 0 H LYS A 235 3.904 2.642 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 235 5.919 2.376 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.394 2.061 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.570 2.979 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.724 0.293 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.801 0.349 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.943 0.248 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.485 1.535 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.868 3.094 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 235 7.506 1.799 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.185 3.284 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.847 1.740 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 10.197 2.994 -4.707 1.00 0.00 H new ATOM 233 N VAL A 236 6.162 4.848 -5.414 1.00 0.00 N ATOM 234 CA VAL A 236 6.164 6.303 -5.321 1.00 0.00 C ATOM 235 C VAL A 236 6.754 6.934 -6.577 1.00 0.00 C ATOM 236 O VAL A 236 7.862 6.594 -6.993 1.00 0.00 O ATOM 237 CB VAL A 236 6.961 6.786 -4.094 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.520 8.180 -4.336 1.00 0.00 C ATOM 239 CG2 VAL A 236 6.088 6.762 -2.849 1.00 0.00 C ATOM 0 H VAL A 236 6.600 4.374 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 236 5.125 6.614 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 236 7.799 6.107 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 236 8.080 8.505 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 236 8.181 8.161 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.700 8.874 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.667 7.106 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 236 5.229 7.418 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.741 5.745 -2.668 1.00 0.00 H new ATOM 249 N TYR A 237 6.007 7.853 -7.177 1.00 0.00 N ATOM 250 CA TYR A 237 6.454 8.531 -8.388 1.00 0.00 C ATOM 251 C TYR A 237 5.921 9.959 -8.442 1.00 0.00 C ATOM 252 O TYR A 237 4.808 10.235 -7.996 1.00 0.00 O ATOM 253 CB TYR A 237 6.001 7.758 -9.628 1.00 0.00 C ATOM 254 CG TYR A 237 6.459 8.376 -10.929 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.759 8.198 -11.386 1.00 0.00 C ATOM 256 CD2 TYR A 237 5.591 9.139 -11.702 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.182 8.763 -12.574 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.005 9.706 -12.891 1.00 0.00 C ATOM 259 CZ TYR A 237 7.301 9.515 -13.323 1.00 0.00 C ATOM 260 OH TYR A 237 7.719 10.078 -14.507 1.00 0.00 O ATOM 0 H TYR A 237 5.088 8.146 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 237 7.543 8.570 -8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.379 6.738 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 237 4.913 7.695 -9.629 1.00 0.00 H new ATOM 0 HD1 TYR A 237 8.451 7.608 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 237 4.576 9.291 -11.367 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.197 8.617 -12.914 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.318 10.296 -13.480 1.00 0.00 H new ATOM 0 HH TYR A 237 6.978 10.575 -14.912 1.00 0.00 H new ATOM 270 N ASN A 238 6.725 10.863 -8.993 1.00 0.00 N ATOM 271 CA ASN A 238 6.335 12.264 -9.107 1.00 0.00 C ATOM 272 C ASN A 238 5.510 12.498 -10.369 1.00 0.00 C ATOM 273 O ASN A 238 6.035 12.464 -11.482 1.00 0.00 O ATOM 274 CB ASN A 238 7.574 13.160 -9.121 1.00 0.00 C ATOM 275 CG ASN A 238 8.543 12.790 -10.227 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.708 11.615 -10.556 1.00 0.00 O ATOM 277 ND2 ASN A 238 9.191 13.793 -10.807 1.00 0.00 N ATOM 0 H ASN A 238 7.650 10.651 -9.367 1.00 0.00 H new ATOM 0 HA ASN A 238 5.722 12.516 -8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 238 7.267 14.199 -9.244 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.081 13.089 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 238 9.856 13.605 -11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.024 14.752 -10.503 1.00 0.00 H new ATOM 284 N TYR A 239 4.216 12.737 -10.187 1.00 0.00 N ATOM 285 CA TYR A 239 3.317 12.975 -11.310 1.00 0.00 C ATOM 286 C TYR A 239 3.443 14.410 -11.813 1.00 0.00 C ATOM 287 O TYR A 239 2.644 15.278 -11.460 1.00 0.00 O ATOM 288 CB TYR A 239 1.870 12.691 -10.902 1.00 0.00 C ATOM 289 CG TYR A 239 1.564 11.219 -10.744 1.00 0.00 C ATOM 290 CD1 TYR A 239 1.335 10.414 -11.853 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.504 10.633 -9.486 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.053 9.069 -11.714 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.225 9.288 -9.337 1.00 0.00 C ATOM 294 CZ TYR A 239 1.000 8.511 -10.454 1.00 0.00 C ATOM 295 OH TYR A 239 0.721 7.171 -10.311 1.00 0.00 O ATOM 0 H TYR A 239 3.766 12.771 -9.272 1.00 0.00 H new ATOM 0 HA TYR A 239 3.599 12.299 -12.118 1.00 0.00 H new ATOM 0 HB2 TYR A 239 1.660 13.200 -9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 239 1.200 13.115 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 239 1.378 10.848 -12.841 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.678 11.239 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 239 0.875 8.458 -12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 239 1.183 8.848 -8.352 1.00 0.00 H new ATOM 0 HH TYR A 239 0.126 7.041 -9.543 1.00 0.00 H new ATOM 305 N LYS A 240 4.452 14.653 -12.642 1.00 0.00 N ATOM 306 CA LYS A 240 4.685 15.981 -13.198 1.00 0.00 C ATOM 307 C LYS A 240 3.411 16.539 -13.824 1.00 0.00 C ATOM 308 O LYS A 240 3.171 17.746 -13.796 1.00 0.00 O ATOM 309 CB LYS A 240 5.801 15.930 -14.244 1.00 0.00 C ATOM 310 CG LYS A 240 5.879 17.175 -15.110 1.00 0.00 C ATOM 311 CD LYS A 240 7.215 17.274 -15.826 1.00 0.00 C ATOM 312 CE LYS A 240 7.500 18.696 -16.282 1.00 0.00 C ATOM 313 NZ LYS A 240 6.849 19.002 -17.586 1.00 0.00 N ATOM 0 H LYS A 240 5.123 13.947 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 240 4.988 16.641 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.756 15.789 -13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.648 15.061 -14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 240 5.073 17.160 -15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.731 18.060 -14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.011 16.938 -15.161 1.00 0.00 H new ATOM 0 HD3 LYS A 240 7.217 16.607 -16.688 1.00 0.00 H new ATOM 0 HE2 LYS A 240 7.146 19.397 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 240 8.577 18.840 -16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 7.068 19.981 -17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.205 18.349 -18.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 5.819 18.890 -17.495 1.00 0.00 H new ATOM 327 N SER A 241 2.597 15.652 -14.388 1.00 0.00 N ATOM 328 CA SER A 241 1.348 16.057 -15.024 1.00 0.00 C ATOM 329 C SER A 241 0.146 15.540 -14.238 1.00 0.00 C ATOM 330 O SER A 241 0.198 14.493 -13.593 1.00 0.00 O ATOM 331 CB SER A 241 1.293 15.540 -16.462 1.00 0.00 C ATOM 332 OG SER A 241 2.590 15.458 -17.026 1.00 0.00 O ATOM 0 H SER A 241 2.780 14.649 -14.418 1.00 0.00 H new ATOM 0 HA SER A 241 1.311 17.146 -15.036 1.00 0.00 H new ATOM 0 HB2 SER A 241 0.823 14.557 -16.480 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.672 16.202 -17.066 1.00 0.00 H new ATOM 0 HG SER A 241 2.527 15.123 -17.945 1.00 0.00 H new ATOM 338 N PRO A 242 -0.963 16.292 -14.293 1.00 0.00 N ATOM 339 CA PRO A 242 -2.199 15.931 -13.594 1.00 0.00 C ATOM 340 C PRO A 242 -2.878 14.712 -14.209 1.00 0.00 C ATOM 341 O PRO A 242 -3.381 14.767 -15.331 1.00 0.00 O ATOM 342 CB PRO A 242 -3.078 17.173 -13.763 1.00 0.00 C ATOM 343 CG PRO A 242 -2.573 17.830 -15.001 1.00 0.00 C ATOM 344 CD PRO A 242 -1.095 17.553 -15.043 1.00 0.00 C ATOM 0 HA PRO A 242 -2.015 15.660 -12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.130 16.903 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.996 17.836 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.070 17.431 -15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.769 18.902 -14.982 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.734 17.452 -16.066 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.522 18.357 -14.581 1.00 0.00 H new ATOM 352 N THR A 243 -2.889 13.609 -13.466 1.00 0.00 N ATOM 353 CA THR A 243 -3.505 12.376 -13.938 1.00 0.00 C ATOM 354 C THR A 243 -4.701 11.992 -13.073 1.00 0.00 C ATOM 355 O THR A 243 -4.588 11.888 -11.851 1.00 0.00 O ATOM 356 CB THR A 243 -2.497 11.211 -13.946 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.396 11.523 -14.807 1.00 0.00 O ATOM 358 CG2 THR A 243 -3.161 9.923 -14.409 1.00 0.00 C ATOM 0 H THR A 243 -2.478 13.545 -12.535 1.00 0.00 H new ATOM 0 HA THR A 243 -3.842 12.562 -14.958 1.00 0.00 H new ATOM 0 HB THR A 243 -2.133 11.067 -12.929 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.759 10.779 -14.806 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.429 9.115 -14.406 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.980 9.673 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.550 10.057 -15.418 1.00 0.00 H new ATOM 366 N PHE A 244 -5.846 11.782 -13.714 1.00 0.00 N ATOM 367 CA PHE A 244 -7.063 11.409 -13.002 1.00 0.00 C ATOM 368 C PHE A 244 -6.959 9.989 -12.454 1.00 0.00 C ATOM 369 O PHE A 244 -6.743 9.036 -13.203 1.00 0.00 O ATOM 370 CB PHE A 244 -8.275 11.523 -13.928 1.00 0.00 C ATOM 371 CG PHE A 244 -8.384 12.855 -14.613 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.652 13.121 -15.759 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.218 13.842 -14.112 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.749 14.347 -16.391 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.319 15.069 -14.739 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.584 15.321 -15.881 1.00 0.00 C ATOM 0 H PHE A 244 -5.957 11.864 -14.725 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.189 12.094 -12.164 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.220 10.739 -14.683 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.182 11.346 -13.350 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.998 12.362 -16.163 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.796 13.650 -13.220 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.172 14.542 -17.283 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -9.972 15.830 -14.337 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.662 16.279 -16.374 1.00 0.00 H new ATOM 386 N CYS A 245 -7.114 9.856 -11.141 1.00 0.00 N ATOM 387 CA CYS A 245 -7.037 8.554 -10.489 1.00 0.00 C ATOM 388 C CYS A 245 -7.888 7.525 -11.228 1.00 0.00 C ATOM 389 O CYS A 245 -9.084 7.729 -11.435 1.00 0.00 O ATOM 390 CB CYS A 245 -7.495 8.661 -9.033 1.00 0.00 C ATOM 391 SG CYS A 245 -7.064 7.216 -8.011 1.00 0.00 S ATOM 0 H CYS A 245 -7.294 10.635 -10.507 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.998 8.224 -10.512 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.052 9.552 -8.588 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.576 8.798 -9.012 1.00 0.00 H new ATOM 396 N GLU A 246 -7.263 6.420 -11.622 1.00 0.00 N ATOM 397 CA GLU A 246 -7.963 5.361 -12.338 1.00 0.00 C ATOM 398 C GLU A 246 -8.773 4.497 -11.375 1.00 0.00 C ATOM 399 O GLU A 246 -9.329 3.469 -11.763 1.00 0.00 O ATOM 400 CB GLU A 246 -6.968 4.490 -13.107 1.00 0.00 C ATOM 401 CG GLU A 246 -6.618 5.034 -14.482 1.00 0.00 C ATOM 402 CD GLU A 246 -5.823 4.048 -15.315 1.00 0.00 C ATOM 403 OE1 GLU A 246 -6.446 3.245 -16.040 1.00 0.00 O ATOM 404 OE2 GLU A 246 -4.577 4.080 -15.242 1.00 0.00 O ATOM 0 H GLU A 246 -6.273 6.235 -11.457 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.648 5.828 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.054 4.393 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.384 3.489 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.536 5.293 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -6.044 5.954 -14.369 1.00 0.00 H new ATOM 411 N HIS A 247 -8.834 4.922 -10.117 1.00 0.00 N ATOM 412 CA HIS A 247 -9.576 4.188 -9.097 1.00 0.00 C ATOM 413 C HIS A 247 -10.814 4.966 -8.662 1.00 0.00 C ATOM 414 O HIS A 247 -11.943 4.581 -8.971 1.00 0.00 O ATOM 415 CB HIS A 247 -8.683 3.910 -7.888 1.00 0.00 C ATOM 416 CG HIS A 247 -9.423 3.349 -6.713 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.050 3.968 -5.685 1.00 0.00 N flip ATOM 418 CD2 HIS A 247 -9.579 1.996 -6.498 1.00 0.00 C flip ATOM 419 CE1 HIS A 247 -10.569 2.987 -4.876 1.00 0.00 C flip ATOM 420 NE2 HIS A 247 -10.272 1.807 -5.389 1.00 0.00 N flip ATOM 0 H HIS A 247 -8.379 5.770 -9.779 1.00 0.00 H new ATOM 0 HA HIS A 247 -9.897 3.239 -9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -7.898 3.212 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.192 4.836 -7.589 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.123 4.975 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -9.195 1.214 -7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.129 3.154 -3.968 1.00 0.00 H new ATOM 428 N CYS A 248 -10.597 6.061 -7.941 1.00 0.00 N ATOM 429 CA CYS A 248 -11.694 6.892 -7.461 1.00 0.00 C ATOM 430 C CYS A 248 -12.169 7.848 -8.551 1.00 0.00 C ATOM 431 O CYS A 248 -13.249 8.430 -8.454 1.00 0.00 O ATOM 432 CB CYS A 248 -11.259 7.684 -6.227 1.00 0.00 C ATOM 433 SG CYS A 248 -9.950 8.909 -6.552 1.00 0.00 S ATOM 0 H CYS A 248 -9.670 6.394 -7.676 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.522 6.237 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.127 8.197 -5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.908 6.987 -5.466 1.00 0.00 H new ATOM 438 N GLY A 249 -11.353 8.006 -9.590 1.00 0.00 N ATOM 439 CA GLY A 249 -11.707 8.892 -10.683 1.00 0.00 C ATOM 440 C GLY A 249 -11.275 10.323 -10.433 1.00 0.00 C ATOM 441 O GLY A 249 -11.158 11.117 -11.366 1.00 0.00 O ATOM 0 H GLY A 249 -10.454 7.536 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.245 8.532 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.786 8.863 -10.835 1.00 0.00 H new ATOM 445 N THR A 250 -11.039 10.655 -9.167 1.00 0.00 N ATOM 446 CA THR A 250 -10.621 12.001 -8.796 1.00 0.00 C ATOM 447 C THR A 250 -9.130 12.201 -9.042 1.00 0.00 C ATOM 448 O THR A 250 -8.351 11.248 -9.006 1.00 0.00 O ATOM 449 CB THR A 250 -10.929 12.297 -7.316 1.00 0.00 C ATOM 450 OG1 THR A 250 -11.671 11.214 -6.744 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.719 13.589 -7.175 1.00 0.00 C ATOM 0 H THR A 250 -11.130 10.010 -8.382 1.00 0.00 H new ATOM 0 HA THR A 250 -11.186 12.691 -9.423 1.00 0.00 H new ATOM 0 HB THR A 250 -9.983 12.409 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 250 -11.053 10.578 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.924 13.777 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 250 -11.140 14.416 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.660 13.501 -7.718 1.00 0.00 H new ATOM 459 N LEU A 251 -8.738 13.446 -9.293 1.00 0.00 N ATOM 460 CA LEU A 251 -7.339 13.771 -9.546 1.00 0.00 C ATOM 461 C LEU A 251 -6.540 13.782 -8.247 1.00 0.00 C ATOM 462 O LEU A 251 -7.061 13.448 -7.182 1.00 0.00 O ATOM 463 CB LEU A 251 -7.228 15.131 -10.237 1.00 0.00 C ATOM 464 CG LEU A 251 -7.527 15.148 -11.737 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.149 16.476 -12.142 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.260 14.883 -12.537 1.00 0.00 C ATOM 0 H LEU A 251 -9.370 14.246 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.925 13.003 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.909 15.824 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.219 15.513 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.242 14.354 -11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.355 16.470 -13.212 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.080 16.624 -11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.459 17.287 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.492 14.899 -13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.522 15.654 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.857 13.906 -12.268 1.00 0.00 H new ATOM 478 N LEU A 252 -5.273 14.170 -8.341 1.00 0.00 N ATOM 479 CA LEU A 252 -4.401 14.227 -7.173 1.00 0.00 C ATOM 480 C LEU A 252 -3.569 15.506 -7.175 1.00 0.00 C ATOM 481 O LEU A 252 -3.406 16.149 -8.212 1.00 0.00 O ATOM 482 CB LEU A 252 -3.480 13.006 -7.139 1.00 0.00 C ATOM 483 CG LEU A 252 -4.043 11.724 -7.753 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.773 11.685 -9.249 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.448 10.501 -7.070 1.00 0.00 C ATOM 0 H LEU A 252 -4.826 14.450 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 252 -5.029 14.226 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.556 13.258 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -3.217 12.803 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 252 -5.122 11.713 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.181 10.765 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -4.246 12.543 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.698 11.719 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.860 9.597 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -2.365 10.507 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.693 10.522 -6.008 1.00 0.00 H new ATOM 497 N TRP A 253 -3.045 15.867 -6.010 1.00 0.00 N ATOM 498 CA TRP A 253 -2.228 17.068 -5.879 1.00 0.00 C ATOM 499 C TRP A 253 -1.095 16.849 -4.882 1.00 0.00 C ATOM 500 O TRP A 253 -1.189 16.000 -3.997 1.00 0.00 O ATOM 501 CB TRP A 253 -3.091 18.251 -5.438 1.00 0.00 C ATOM 502 CG TRP A 253 -2.304 19.504 -5.201 1.00 0.00 C ATOM 503 CD1 TRP A 253 -1.681 19.874 -4.044 1.00 0.00 C ATOM 504 CD2 TRP A 253 -2.059 20.554 -6.144 1.00 0.00 C ATOM 505 NE1 TRP A 253 -1.063 21.090 -4.210 1.00 0.00 N ATOM 506 CE2 TRP A 253 -1.279 21.527 -5.490 1.00 0.00 C ATOM 507 CE3 TRP A 253 -2.421 20.764 -7.477 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -0.857 22.692 -6.125 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -2.001 21.921 -8.106 1.00 0.00 C ATOM 510 CH2 TRP A 253 -1.226 22.873 -7.431 1.00 0.00 C ATOM 0 H TRP A 253 -3.171 15.346 -5.142 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.792 17.289 -6.853 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.847 18.444 -6.199 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.620 17.984 -4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -1.675 19.296 -3.132 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -0.530 21.587 -3.496 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -3.018 20.036 -8.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -0.260 23.427 -5.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -2.275 22.094 -9.136 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -0.914 23.767 -7.951 1.00 0.00 H new ATOM 521 N GLY A 254 -0.024 17.623 -5.031 1.00 0.00 N ATOM 522 CA GLY A 254 1.111 17.498 -4.136 1.00 0.00 C ATOM 523 C GLY A 254 2.393 18.028 -4.747 1.00 0.00 C ATOM 524 O GLY A 254 2.390 18.541 -5.867 1.00 0.00 O ATOM 0 H GLY A 254 0.077 18.334 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.902 18.038 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.246 16.450 -3.869 1.00 0.00 H new ATOM 528 N LEU A 255 3.492 17.908 -4.010 1.00 0.00 N ATOM 529 CA LEU A 255 4.787 18.381 -4.486 1.00 0.00 C ATOM 530 C LEU A 255 5.674 17.213 -4.903 1.00 0.00 C ATOM 531 O LEU A 255 6.382 17.286 -5.907 1.00 0.00 O ATOM 532 CB LEU A 255 5.483 19.202 -3.398 1.00 0.00 C ATOM 533 CG LEU A 255 4.574 20.066 -2.524 1.00 0.00 C ATOM 534 CD1 LEU A 255 5.336 20.594 -1.319 1.00 0.00 C ATOM 535 CD2 LEU A 255 3.991 21.215 -3.335 1.00 0.00 C ATOM 0 H LEU A 255 3.512 17.487 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 255 4.617 19.013 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 255 6.033 18.518 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 255 6.218 19.850 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 255 3.752 19.447 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 255 4.672 21.207 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 255 5.704 19.757 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 255 6.178 21.198 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 255 3.346 21.820 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 255 4.800 21.833 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 255 3.408 20.816 -4.165 1.00 0.00 H new ATOM 547 N ALA A 256 5.629 16.135 -4.127 1.00 0.00 N ATOM 548 CA ALA A 256 6.425 14.949 -4.418 1.00 0.00 C ATOM 549 C ALA A 256 5.671 13.677 -4.047 1.00 0.00 C ATOM 550 O ALA A 256 4.738 13.709 -3.244 1.00 0.00 O ATOM 551 CB ALA A 256 7.754 15.012 -3.680 1.00 0.00 C ATOM 0 H ALA A 256 5.049 16.059 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 256 6.618 14.925 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.338 14.120 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.305 15.897 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.572 15.064 -2.607 1.00 0.00 H new ATOM 557 N ARG A 257 6.081 12.559 -4.636 1.00 0.00 N ATOM 558 CA ARG A 257 5.442 11.276 -4.368 1.00 0.00 C ATOM 559 C ARG A 257 3.939 11.447 -4.171 1.00 0.00 C ATOM 560 O ARG A 257 3.357 10.882 -3.245 1.00 0.00 O ATOM 561 CB ARG A 257 6.059 10.624 -3.129 1.00 0.00 C ATOM 562 CG ARG A 257 5.960 11.480 -1.877 1.00 0.00 C ATOM 563 CD ARG A 257 6.182 10.655 -0.619 1.00 0.00 C ATOM 564 NE ARG A 257 6.253 11.490 0.577 1.00 0.00 N ATOM 565 CZ ARG A 257 6.155 11.013 1.813 1.00 0.00 C ATOM 566 NH1 ARG A 257 5.983 9.714 2.014 1.00 0.00 N ATOM 567 NH2 ARG A 257 6.229 11.836 2.851 1.00 0.00 N ATOM 0 H ARG A 257 6.853 12.515 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 257 5.606 10.630 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.564 9.670 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 257 7.108 10.406 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 257 6.698 12.281 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 257 4.979 11.953 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 257 5.372 9.934 -0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 257 7.105 10.084 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 257 6.385 12.494 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.926 9.078 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 257 5.908 9.350 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 257 6.361 12.836 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 257 6.154 11.469 3.800 1.00 0.00 H new ATOM 581 N GLN A 258 3.318 12.231 -5.046 1.00 0.00 N ATOM 582 CA GLN A 258 1.883 12.478 -4.967 1.00 0.00 C ATOM 583 C GLN A 258 1.106 11.166 -4.952 1.00 0.00 C ATOM 584 O GLN A 258 0.120 11.025 -4.230 1.00 0.00 O ATOM 585 CB GLN A 258 1.427 13.342 -6.144 1.00 0.00 C ATOM 586 CG GLN A 258 2.099 14.705 -6.195 1.00 0.00 C ATOM 587 CD GLN A 258 3.410 14.681 -6.957 1.00 0.00 C ATOM 588 OE1 GLN A 258 3.802 13.651 -7.508 1.00 0.00 O ATOM 589 NE2 GLN A 258 4.095 15.817 -6.993 1.00 0.00 N ATOM 0 H GLN A 258 3.786 12.706 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 258 1.681 13.009 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 258 1.630 12.811 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.347 13.480 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 258 1.424 15.421 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.280 15.055 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 258 3.733 16.646 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 258 4.984 15.861 -7.491 1.00 0.00 H new ATOM 598 N GLY A 259 1.556 10.208 -5.756 1.00 0.00 N ATOM 599 CA GLY A 259 0.890 8.920 -5.821 1.00 0.00 C ATOM 600 C GLY A 259 1.852 7.783 -6.102 1.00 0.00 C ATOM 601 O GLY A 259 3.069 7.958 -6.031 1.00 0.00 O ATOM 0 H GLY A 259 2.370 10.301 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 259 0.376 8.732 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 259 0.128 8.948 -6.600 1.00 0.00 H new ATOM 605 N LEU A 260 1.307 6.614 -6.420 1.00 0.00 N ATOM 606 CA LEU A 260 2.126 5.442 -6.711 1.00 0.00 C ATOM 607 C LEU A 260 1.759 4.844 -8.066 1.00 0.00 C ATOM 608 O LEU A 260 0.585 4.623 -8.361 1.00 0.00 O ATOM 609 CB LEU A 260 1.955 4.390 -5.614 1.00 0.00 C ATOM 610 CG LEU A 260 1.959 4.913 -4.177 1.00 0.00 C ATOM 611 CD1 LEU A 260 1.207 3.960 -3.260 1.00 0.00 C ATOM 612 CD2 LEU A 260 3.386 5.113 -3.686 1.00 0.00 C ATOM 0 H LEU A 260 0.302 6.452 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 260 3.169 5.758 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 260 1.016 3.864 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.754 3.656 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 260 1.451 5.877 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 260 1.220 4.348 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 260 0.175 3.867 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.686 2.981 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.370 5.486 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.918 4.162 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.893 5.835 -4.326 1.00 0.00 H new ATOM 624 N LYS A 261 2.772 4.584 -8.885 1.00 0.00 N ATOM 625 CA LYS A 261 2.558 4.008 -10.208 1.00 0.00 C ATOM 626 C LYS A 261 2.913 2.525 -10.220 1.00 0.00 C ATOM 627 O LYS A 261 3.849 2.095 -9.545 1.00 0.00 O ATOM 628 CB LYS A 261 3.394 4.752 -11.252 1.00 0.00 C ATOM 629 CG LYS A 261 3.740 3.909 -12.467 1.00 0.00 C ATOM 630 CD LYS A 261 4.354 4.751 -13.573 1.00 0.00 C ATOM 631 CE LYS A 261 5.859 4.886 -13.401 1.00 0.00 C ATOM 632 NZ LYS A 261 6.508 5.449 -14.618 1.00 0.00 N ATOM 0 H LYS A 261 3.750 4.763 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 261 1.502 4.112 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.849 5.638 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.316 5.099 -10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 261 4.436 3.122 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.840 3.418 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.137 4.298 -14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 261 3.897 5.740 -13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 261 6.071 5.528 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 261 6.288 3.909 -13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 7.533 5.525 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.328 4.823 -15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 6.117 6.392 -14.815 1.00 0.00 H new ATOM 646 N CYS A 262 2.161 1.747 -10.991 1.00 0.00 N ATOM 647 CA CYS A 262 2.396 0.312 -11.092 1.00 0.00 C ATOM 648 C CYS A 262 3.463 0.008 -12.141 1.00 0.00 C ATOM 649 O CYS A 262 3.302 0.333 -13.317 1.00 0.00 O ATOM 650 CB CYS A 262 1.097 -0.415 -11.444 1.00 0.00 C ATOM 651 SG CYS A 262 1.123 -2.200 -11.082 1.00 0.00 S ATOM 0 H CYS A 262 1.383 2.087 -11.556 1.00 0.00 H new ATOM 0 HA CYS A 262 2.752 -0.042 -10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.276 0.044 -10.894 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.890 -0.273 -12.505 1.00 0.00 H new ATOM 656 N ASP A 263 4.551 -0.617 -11.705 1.00 0.00 N ATOM 657 CA ASP A 263 5.643 -0.967 -12.606 1.00 0.00 C ATOM 658 C ASP A 263 5.365 -2.292 -13.309 1.00 0.00 C ATOM 659 O ASP A 263 6.200 -2.794 -14.060 1.00 0.00 O ATOM 660 CB ASP A 263 6.961 -1.051 -11.834 1.00 0.00 C ATOM 661 CG ASP A 263 8.169 -0.845 -12.726 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.280 -1.555 -13.747 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.004 0.026 -12.404 1.00 0.00 O ATOM 0 H ASP A 263 4.700 -0.892 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 263 5.722 -0.186 -13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.964 -0.300 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.033 -2.024 -11.349 1.00 0.00 H new ATOM 668 N ALA A 264 4.187 -2.853 -13.058 1.00 0.00 N ATOM 669 CA ALA A 264 3.799 -4.119 -13.668 1.00 0.00 C ATOM 670 C ALA A 264 2.923 -3.891 -14.896 1.00 0.00 C ATOM 671 O ALA A 264 3.164 -4.465 -15.958 1.00 0.00 O ATOM 672 CB ALA A 264 3.073 -4.992 -12.655 1.00 0.00 C ATOM 0 H ALA A 264 3.485 -2.451 -12.437 1.00 0.00 H new ATOM 0 HA ALA A 264 4.705 -4.632 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.789 -5.934 -13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.731 -5.191 -11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.178 -4.477 -12.305 1.00 0.00 H new ATOM 678 N CYS A 265 1.906 -3.050 -14.743 1.00 0.00 N ATOM 679 CA CYS A 265 0.993 -2.747 -15.839 1.00 0.00 C ATOM 680 C CYS A 265 1.135 -1.292 -16.278 1.00 0.00 C ATOM 681 O CYS A 265 1.096 -0.986 -17.469 1.00 0.00 O ATOM 682 CB CYS A 265 -0.451 -3.026 -15.419 1.00 0.00 C ATOM 683 SG CYS A 265 -1.049 -1.969 -14.061 1.00 0.00 S ATOM 0 H CYS A 265 1.693 -2.566 -13.871 1.00 0.00 H new ATOM 0 HA CYS A 265 1.250 -3.389 -16.681 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.102 -2.892 -16.283 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.535 -4.070 -15.116 1.00 0.00 H new ATOM 688 N GLY A 266 1.299 -0.400 -15.307 1.00 0.00 N ATOM 689 CA GLY A 266 1.444 1.012 -15.612 1.00 0.00 C ATOM 690 C GLY A 266 0.174 1.796 -15.347 1.00 0.00 C ATOM 691 O GLY A 266 -0.439 2.327 -16.272 1.00 0.00 O ATOM 0 H GLY A 266 1.334 -0.629 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.255 1.428 -15.015 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.727 1.127 -16.658 1.00 0.00 H new ATOM 695 N MET A 267 -0.222 1.866 -14.081 1.00 0.00 N ATOM 696 CA MET A 267 -1.428 2.591 -13.698 1.00 0.00 C ATOM 697 C MET A 267 -1.105 3.690 -12.690 1.00 0.00 C ATOM 698 O MET A 267 -0.071 3.651 -12.026 1.00 0.00 O ATOM 699 CB MET A 267 -2.461 1.629 -13.106 1.00 0.00 C ATOM 700 CG MET A 267 -3.542 2.323 -12.293 1.00 0.00 C ATOM 701 SD MET A 267 -4.802 1.180 -11.695 1.00 0.00 S ATOM 702 CE MET A 267 -3.801 -0.251 -11.299 1.00 0.00 C ATOM 0 H MET A 267 0.274 1.430 -13.303 1.00 0.00 H new ATOM 0 HA MET A 267 -1.843 3.054 -14.593 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.930 1.069 -13.915 1.00 0.00 H new ATOM 0 HB3 MET A 267 -1.950 0.905 -12.472 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.084 2.829 -11.444 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.015 3.091 -12.905 1.00 0.00 H new ATOM 0 HE1 MET A 267 -4.365 -0.921 -10.649 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.535 -0.775 -12.217 1.00 0.00 H new ATOM 0 HE3 MET A 267 -2.893 0.070 -10.789 1.00 0.00 H new ATOM 712 N ASN A 268 -1.997 4.670 -12.584 1.00 0.00 N ATOM 713 CA ASN A 268 -1.805 5.781 -11.658 1.00 0.00 C ATOM 714 C ASN A 268 -2.977 5.888 -10.687 1.00 0.00 C ATOM 715 O ASN A 268 -4.128 6.027 -11.100 1.00 0.00 O ATOM 716 CB ASN A 268 -1.645 7.093 -12.429 1.00 0.00 C ATOM 717 CG ASN A 268 -0.796 6.931 -13.676 1.00 0.00 C ATOM 718 OD1 ASN A 268 -1.324 7.372 -14.812 1.00 0.00 O flip ATOM 719 ND2 ASN A 268 0.320 6.416 -13.617 1.00 0.00 N flip ATOM 0 H ASN A 268 -2.859 4.718 -13.127 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.897 5.591 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.629 7.469 -12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.191 7.841 -11.778 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.685 6.091 -12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.880 6.314 -14.463 1.00 0.00 H new ATOM 726 N VAL A 269 -2.675 5.823 -9.394 1.00 0.00 N ATOM 727 CA VAL A 269 -3.702 5.915 -8.364 1.00 0.00 C ATOM 728 C VAL A 269 -3.195 6.682 -7.148 1.00 0.00 C ATOM 729 O VAL A 269 -2.008 6.997 -7.051 1.00 0.00 O ATOM 730 CB VAL A 269 -4.174 4.519 -7.916 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.834 3.782 -9.071 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.007 3.717 -7.358 1.00 0.00 C ATOM 0 H VAL A 269 -1.727 5.707 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.543 6.452 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.914 4.641 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.161 2.798 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.696 4.351 -9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.119 3.668 -9.886 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.358 2.733 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.243 3.603 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.583 4.240 -6.501 1.00 0.00 H new ATOM 742 N HIS A 270 -4.101 6.980 -6.223 1.00 0.00 N ATOM 743 CA HIS A 270 -3.744 7.711 -5.011 1.00 0.00 C ATOM 744 C HIS A 270 -2.929 6.832 -4.067 1.00 0.00 C ATOM 745 O HIS A 270 -2.622 5.682 -4.383 1.00 0.00 O ATOM 746 CB HIS A 270 -5.004 8.210 -4.302 1.00 0.00 C ATOM 747 CG HIS A 270 -5.506 9.521 -4.825 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.689 9.650 -5.521 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.978 10.765 -4.749 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.867 10.917 -5.852 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.842 11.614 -5.394 1.00 0.00 N ATOM 0 H HIS A 270 -5.087 6.727 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.134 8.568 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.790 7.462 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.797 8.309 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.050 11.039 -4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.707 11.315 -6.403 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.714 12.620 -5.502 1.00 0.00 H new ATOM 759 N HIS A 271 -2.582 7.381 -2.907 1.00 0.00 N ATOM 760 CA HIS A 271 -1.802 6.647 -1.917 1.00 0.00 C ATOM 761 C HIS A 271 -2.649 5.566 -1.252 1.00 0.00 C ATOM 762 O HIS A 271 -2.155 4.482 -0.941 1.00 0.00 O ATOM 763 CB HIS A 271 -1.252 7.604 -0.859 1.00 0.00 C ATOM 764 CG HIS A 271 -0.004 8.314 -1.285 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.175 7.659 -1.571 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.243 9.632 -1.474 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.094 8.542 -1.916 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.554 9.747 -1.866 1.00 0.00 N ATOM 0 H HIS A 271 -2.829 8.331 -2.630 1.00 0.00 H new ATOM 0 HA HIS A 271 -0.968 6.167 -2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.016 8.343 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.048 7.045 0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.460 10.441 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.114 8.318 -2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 271 2.033 10.621 -2.083 1.00 0.00 H new ATOM 776 N ARG A 272 -3.924 5.869 -1.036 1.00 0.00 N ATOM 777 CA ARG A 272 -4.838 4.924 -0.405 1.00 0.00 C ATOM 778 C ARG A 272 -5.592 4.114 -1.456 1.00 0.00 C ATOM 779 O ARG A 272 -5.738 2.898 -1.330 1.00 0.00 O ATOM 780 CB ARG A 272 -5.832 5.664 0.492 1.00 0.00 C ATOM 781 CG ARG A 272 -5.183 6.351 1.683 1.00 0.00 C ATOM 782 CD ARG A 272 -6.162 7.267 2.399 1.00 0.00 C ATOM 783 NE ARG A 272 -6.830 8.182 1.477 1.00 0.00 N ATOM 784 CZ ARG A 272 -6.231 9.225 0.914 1.00 0.00 C ATOM 785 NH1 ARG A 272 -4.958 9.484 1.177 1.00 0.00 N ATOM 786 NH2 ARG A 272 -6.906 10.011 0.085 1.00 0.00 N ATOM 0 H ARG A 272 -4.348 6.762 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.249 4.239 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.360 6.409 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.578 4.957 0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -4.810 5.600 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -4.322 6.929 1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -6.909 6.665 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.632 7.841 3.159 1.00 0.00 H new ATOM 0 HE ARG A 272 -7.810 8.010 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -4.436 8.882 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -4.500 10.286 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -7.886 9.814 -0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -6.445 10.812 -0.347 1.00 0.00 H new ATOM 800 N CYS A 273 -6.068 4.795 -2.492 1.00 0.00 N ATOM 801 CA CYS A 273 -6.807 4.140 -3.564 1.00 0.00 C ATOM 802 C CYS A 273 -6.081 2.883 -4.036 1.00 0.00 C ATOM 803 O CYS A 273 -6.710 1.913 -4.456 1.00 0.00 O ATOM 804 CB CYS A 273 -7.002 5.101 -4.739 1.00 0.00 C ATOM 805 SG CYS A 273 -8.179 6.452 -4.407 1.00 0.00 S ATOM 0 H CYS A 273 -5.955 5.802 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.783 3.850 -3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.037 5.532 -5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.349 4.535 -5.604 1.00 0.00 H new ATOM 810 N GLN A 274 -4.754 2.911 -3.964 1.00 0.00 N ATOM 811 CA GLN A 274 -3.943 1.774 -4.384 1.00 0.00 C ATOM 812 C GLN A 274 -4.406 0.492 -3.698 1.00 0.00 C ATOM 813 O GLN A 274 -4.636 -0.526 -4.351 1.00 0.00 O ATOM 814 CB GLN A 274 -2.468 2.030 -4.071 1.00 0.00 C ATOM 815 CG GLN A 274 -2.052 1.574 -2.682 1.00 0.00 C ATOM 816 CD GLN A 274 -0.569 1.755 -2.428 1.00 0.00 C ATOM 817 OE1 GLN A 274 0.266 1.321 -3.223 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.232 2.398 -1.316 1.00 0.00 N ATOM 0 H GLN A 274 -4.218 3.708 -3.619 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.063 1.652 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -1.854 1.517 -4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.264 3.096 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.615 2.134 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.313 0.523 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.957 2.741 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.752 2.549 -1.092 1.00 0.00 H new ATOM 827 N THR A 275 -4.539 0.549 -2.377 1.00 0.00 N ATOM 828 CA THR A 275 -4.972 -0.607 -1.602 1.00 0.00 C ATOM 829 C THR A 275 -6.474 -0.829 -1.738 1.00 0.00 C ATOM 830 O THR A 275 -7.015 -1.815 -1.236 1.00 0.00 O ATOM 831 CB THR A 275 -4.621 -0.448 -0.111 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.071 0.826 0.365 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.121 -0.575 0.109 1.00 0.00 C ATOM 0 H THR A 275 -4.353 1.384 -1.821 1.00 0.00 H new ATOM 0 HA THR A 275 -4.442 -1.471 -2.002 1.00 0.00 H new ATOM 0 HB THR A 275 -5.122 -1.241 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.402 1.358 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 275 -2.898 -0.459 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 275 -2.786 -1.556 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 275 -2.603 0.199 -0.457 1.00 0.00 H new ATOM 841 N LYS A 276 -7.144 0.094 -2.420 1.00 0.00 N ATOM 842 CA LYS A 276 -8.585 -0.001 -2.624 1.00 0.00 C ATOM 843 C LYS A 276 -8.902 -0.665 -3.960 1.00 0.00 C ATOM 844 O LYS A 276 -10.019 -1.134 -4.182 1.00 0.00 O ATOM 845 CB LYS A 276 -9.221 1.390 -2.570 1.00 0.00 C ATOM 846 CG LYS A 276 -8.835 2.188 -1.337 1.00 0.00 C ATOM 847 CD LYS A 276 -9.802 1.947 -0.191 1.00 0.00 C ATOM 848 CE LYS A 276 -9.361 0.775 0.673 1.00 0.00 C ATOM 849 NZ LYS A 276 -8.458 1.208 1.776 1.00 0.00 N ATOM 0 H LYS A 276 -6.712 0.917 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.001 -0.615 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -8.930 1.948 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.306 1.286 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -7.827 1.915 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.816 3.250 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -9.873 2.846 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.798 1.753 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -10.238 0.283 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -8.850 0.039 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -8.180 0.381 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -7.609 1.654 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -8.954 1.891 2.383 1.00 0.00 H new ATOM 863 N VAL A 277 -7.913 -0.704 -4.847 1.00 0.00 N ATOM 864 CA VAL A 277 -8.086 -1.313 -6.160 1.00 0.00 C ATOM 865 C VAL A 277 -8.105 -2.835 -6.061 1.00 0.00 C ATOM 866 O VAL A 277 -7.924 -3.399 -4.983 1.00 0.00 O ATOM 867 CB VAL A 277 -6.967 -0.887 -7.129 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.444 -0.980 -8.570 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.491 0.521 -6.806 1.00 0.00 C ATOM 0 H VAL A 277 -6.983 -0.321 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.043 -0.964 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.125 -1.568 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.640 -0.675 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.732 -2.008 -8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.303 -0.324 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.700 0.806 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.324 1.217 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.107 0.550 -5.786 1.00 0.00 H new ATOM 879 N ALA A 278 -8.326 -3.493 -7.194 1.00 0.00 N ATOM 880 CA ALA A 278 -8.367 -4.949 -7.236 1.00 0.00 C ATOM 881 C ALA A 278 -6.965 -5.534 -7.372 1.00 0.00 C ATOM 882 O ALA A 278 -6.025 -4.835 -7.746 1.00 0.00 O ATOM 883 CB ALA A 278 -9.250 -5.419 -8.382 1.00 0.00 C ATOM 0 H ALA A 278 -8.479 -3.041 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.791 -5.303 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.271 -6.509 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.262 -5.039 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.850 -5.047 -9.325 1.00 0.00 H new ATOM 889 N ASN A 279 -6.833 -6.820 -7.065 1.00 0.00 N ATOM 890 CA ASN A 279 -5.545 -7.498 -7.152 1.00 0.00 C ATOM 891 C ASN A 279 -5.425 -8.273 -8.461 1.00 0.00 C ATOM 892 O ASN A 279 -5.082 -9.456 -8.467 1.00 0.00 O ATOM 893 CB ASN A 279 -5.365 -8.449 -5.966 1.00 0.00 C ATOM 894 CG ASN A 279 -6.034 -7.935 -4.706 1.00 0.00 C ATOM 895 OD1 ASN A 279 -6.413 -6.766 -4.624 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.183 -8.808 -3.717 1.00 0.00 N ATOM 0 H ASN A 279 -7.602 -7.413 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.762 -6.741 -7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.778 -9.425 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.301 -8.592 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.627 -8.520 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.854 -9.767 -3.829 1.00 0.00 H new ATOM 903 N LEU A 280 -5.709 -7.597 -9.569 1.00 0.00 N ATOM 904 CA LEU A 280 -5.632 -8.220 -10.886 1.00 0.00 C ATOM 905 C LEU A 280 -4.794 -7.376 -11.840 1.00 0.00 C ATOM 906 O LEU A 280 -5.328 -6.703 -12.723 1.00 0.00 O ATOM 907 CB LEU A 280 -7.036 -8.419 -11.461 1.00 0.00 C ATOM 908 CG LEU A 280 -7.964 -9.337 -10.664 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.363 -9.329 -11.261 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.407 -10.753 -10.624 1.00 0.00 C ATOM 0 H LEU A 280 -5.995 -6.618 -9.582 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.151 -9.192 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.512 -7.443 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.940 -8.820 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.025 -8.963 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -10.010 -9.988 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.763 -8.315 -11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.320 -9.678 -12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.080 -11.393 -10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.316 -11.137 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.425 -10.745 -10.150 1.00 0.00 H new ATOM 922 N CYS A 281 -3.478 -7.417 -11.658 1.00 0.00 N ATOM 923 CA CYS A 281 -2.565 -6.657 -12.504 1.00 0.00 C ATOM 924 C CYS A 281 -2.290 -7.397 -13.810 1.00 0.00 C ATOM 925 O CYS A 281 -2.152 -8.619 -13.826 1.00 0.00 O ATOM 926 CB CYS A 281 -1.250 -6.397 -11.765 1.00 0.00 C ATOM 927 SG CYS A 281 -0.095 -5.312 -12.664 1.00 0.00 S ATOM 0 H CYS A 281 -3.020 -7.968 -10.932 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.036 -5.703 -12.740 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.472 -5.950 -10.796 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.760 -7.351 -11.571 1.00 0.00 H new ATOM 932 N GLY A 282 -2.212 -6.645 -14.904 1.00 0.00 N ATOM 933 CA GLY A 282 -1.954 -7.246 -16.199 1.00 0.00 C ATOM 934 C GLY A 282 -3.212 -7.788 -16.848 1.00 0.00 C ATOM 935 O GLY A 282 -3.368 -7.721 -18.068 1.00 0.00 O ATOM 0 H GLY A 282 -2.323 -5.631 -14.916 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.500 -6.504 -16.856 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.231 -8.054 -16.084 1.00 0.00 H new ATOM 939 N ILE A 283 -4.111 -8.329 -16.032 1.00 0.00 N ATOM 940 CA ILE A 283 -5.361 -8.886 -16.534 1.00 0.00 C ATOM 941 C ILE A 283 -6.239 -7.800 -17.146 1.00 0.00 C ATOM 942 O ILE A 283 -7.090 -8.078 -17.990 1.00 0.00 O ATOM 943 CB ILE A 283 -6.148 -9.599 -15.419 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.418 -10.871 -14.984 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.557 -9.925 -15.890 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.104 -10.605 -14.283 1.00 0.00 C ATOM 0 H ILE A 283 -3.997 -8.393 -15.020 1.00 0.00 H new ATOM 0 HA ILE A 283 -5.097 -9.613 -17.302 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.219 -8.931 -14.560 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -6.066 -11.442 -14.319 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.233 -11.492 -15.861 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.100 -10.429 -15.091 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.074 -9.003 -16.156 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -7.507 -10.577 -16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.643 -11.552 -14.003 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -3.438 -10.061 -14.953 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.283 -10.010 -13.387 1.00 0.00 H new ATOM 958 N ASN A 284 -6.026 -6.561 -16.716 1.00 0.00 N ATOM 959 CA ASN A 284 -6.797 -5.432 -17.222 1.00 0.00 C ATOM 960 C ASN A 284 -5.893 -4.430 -17.933 1.00 0.00 C ATOM 961 O ASN A 284 -6.369 -3.475 -18.546 1.00 0.00 O ATOM 962 CB ASN A 284 -7.542 -4.741 -16.078 1.00 0.00 C ATOM 963 CG ASN A 284 -6.603 -4.232 -15.001 1.00 0.00 C ATOM 964 OD1 ASN A 284 -5.479 -3.817 -15.287 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.060 -4.262 -13.755 1.00 0.00 N ATOM 0 H ASN A 284 -5.325 -6.313 -16.018 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.522 -5.814 -17.940 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.120 -3.907 -16.476 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.253 -5.440 -15.636 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -6.473 -3.933 -12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -7.998 -4.614 -13.564 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.668 -3.145 -12.080 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -7.887 8.051 -5.975 1.00 0.00 ZN