USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 240 LYS NZ :NH3+ 175:sc= 0.697 (180deg=0) USER MOD Set 1.2: A 241 SER OG : rot -172:sc= 0.655 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 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 MET CE :methyl -176:sc= 0 (180deg=-0.00283) USER MOD Single : A 235 LYS NZ :NH3+ 157:sc= -0.376 (180deg=-1.46) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -1.93! C(o=-1.9!,f=-6.4!) USER MOD Single : A 239 TYR OH : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot -173:sc= -4.72! USER MOD Single : A 247 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-7.2!) USER MOD Single : A 250 THR OG1 : rot -20:sc= 0.893 USER MOD Single : A 258 GLN : amide:sc= -7.36! C(o=-7.4!,f=-8.1!) USER MOD Single : A 261 LYS NZ :NH3+ 153:sc= -0.194 (180deg=-0.713) USER MOD Single : A 267 MET CE :methyl 170:sc= -0.449 (180deg=-1.09) USER MOD Single : A 268 ASN : amide:sc= -5.72! C(o=-5.7!,f=-7.6!) USER MOD Single : A 271 HIS : no HD1:sc= -3.52! K(o=-3.5!,f=-2.9) USER MOD Single : A 274 GLN : amide:sc= -6.57! C(o=-6.6!,f=-7!) USER MOD Single : A 275 THR OG1 : rot 1:sc= 1.03 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc=-0.00755 K(o=-0.0075,f=-1.4!) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 22.049 -21.356 -22.390 1.00 0.00 N ATOM 2 CA GLY A 220 20.786 -20.644 -22.345 1.00 0.00 C ATOM 3 C GLY A 220 20.075 -20.807 -21.015 1.00 0.00 C ATOM 4 O GLY A 220 20.564 -21.501 -20.124 1.00 0.00 O ATOM 0 HA2 GLY A 220 20.963 -19.585 -22.531 1.00 0.00 H new ATOM 0 HA3 GLY A 220 20.140 -21.005 -23.145 1.00 0.00 H new ATOM 8 N SER A 221 18.919 -20.165 -20.881 1.00 0.00 N ATOM 9 CA SER A 221 18.143 -20.238 -19.649 1.00 0.00 C ATOM 10 C SER A 221 16.685 -19.864 -19.903 1.00 0.00 C ATOM 11 O SER A 221 16.375 -19.132 -20.842 1.00 0.00 O ATOM 12 CB SER A 221 18.742 -19.312 -18.589 1.00 0.00 C ATOM 13 OG SER A 221 19.116 -18.067 -19.152 1.00 0.00 O ATOM 0 H SER A 221 18.499 -19.589 -21.610 1.00 0.00 H new ATOM 0 HA SER A 221 18.179 -21.265 -19.286 1.00 0.00 H new ATOM 0 HB2 SER A 221 18.017 -19.151 -17.791 1.00 0.00 H new ATOM 0 HB3 SER A 221 19.613 -19.787 -18.137 1.00 0.00 H new ATOM 0 HG SER A 221 19.494 -17.493 -18.454 1.00 0.00 H new ATOM 19 N SER A 222 15.795 -20.373 -19.057 1.00 0.00 N ATOM 20 CA SER A 222 14.369 -20.096 -19.190 1.00 0.00 C ATOM 21 C SER A 222 13.684 -20.106 -17.827 1.00 0.00 C ATOM 22 O SER A 222 14.135 -20.776 -16.899 1.00 0.00 O ATOM 23 CB SER A 222 13.713 -21.126 -20.112 1.00 0.00 C ATOM 24 OG SER A 222 12.541 -20.601 -20.710 1.00 0.00 O ATOM 0 H SER A 222 16.036 -20.979 -18.273 1.00 0.00 H new ATOM 0 HA SER A 222 14.255 -19.104 -19.626 1.00 0.00 H new ATOM 0 HB2 SER A 222 14.418 -21.426 -20.888 1.00 0.00 H new ATOM 0 HB3 SER A 222 13.465 -22.022 -19.543 1.00 0.00 H new ATOM 0 HG SER A 222 12.141 -21.278 -21.296 1.00 0.00 H new ATOM 30 N GLY A 223 12.591 -19.358 -17.715 1.00 0.00 N ATOM 31 CA GLY A 223 11.861 -19.294 -16.463 1.00 0.00 C ATOM 32 C GLY A 223 10.386 -19.600 -16.636 1.00 0.00 C ATOM 33 O GLY A 223 9.989 -20.251 -17.602 1.00 0.00 O ATOM 0 H GLY A 223 12.198 -18.795 -18.469 1.00 0.00 H new ATOM 0 HA2 GLY A 223 12.295 -20.001 -15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 223 11.974 -18.300 -16.030 1.00 0.00 H new ATOM 37 N SER A 224 9.572 -19.130 -15.696 1.00 0.00 N ATOM 38 CA SER A 224 8.133 -19.362 -15.746 1.00 0.00 C ATOM 39 C SER A 224 7.373 -18.201 -15.111 1.00 0.00 C ATOM 40 O SER A 224 7.908 -17.483 -14.266 1.00 0.00 O ATOM 41 CB SER A 224 7.781 -20.668 -15.031 1.00 0.00 C ATOM 42 OG SER A 224 7.968 -20.550 -13.631 1.00 0.00 O ATOM 0 H SER A 224 9.884 -18.587 -14.891 1.00 0.00 H new ATOM 0 HA SER A 224 7.838 -19.438 -16.793 1.00 0.00 H new ATOM 0 HB2 SER A 224 6.745 -20.934 -15.241 1.00 0.00 H new ATOM 0 HB3 SER A 224 8.402 -21.476 -15.417 1.00 0.00 H new ATOM 0 HG SER A 224 7.735 -21.397 -13.197 1.00 0.00 H new ATOM 48 N SER A 225 6.123 -18.023 -15.526 1.00 0.00 N ATOM 49 CA SER A 225 5.290 -16.947 -15.003 1.00 0.00 C ATOM 50 C SER A 225 3.991 -17.499 -14.422 1.00 0.00 C ATOM 51 O SER A 225 3.402 -18.432 -14.967 1.00 0.00 O ATOM 52 CB SER A 225 4.979 -15.932 -16.105 1.00 0.00 C ATOM 53 OG SER A 225 6.067 -15.047 -16.305 1.00 0.00 O ATOM 0 H SER A 225 5.665 -18.610 -16.223 1.00 0.00 H new ATOM 0 HA SER A 225 5.841 -16.449 -14.206 1.00 0.00 H new ATOM 0 HB2 SER A 225 4.757 -16.456 -17.034 1.00 0.00 H new ATOM 0 HB3 SER A 225 4.088 -15.363 -15.839 1.00 0.00 H new ATOM 0 HG SER A 225 5.844 -14.410 -17.015 1.00 0.00 H new ATOM 59 N GLY A 226 3.551 -16.915 -13.312 1.00 0.00 N ATOM 60 CA GLY A 226 2.326 -17.361 -12.675 1.00 0.00 C ATOM 61 C GLY A 226 1.095 -16.696 -13.257 1.00 0.00 C ATOM 62 O GLY A 226 1.170 -15.586 -13.784 1.00 0.00 O ATOM 0 H GLY A 226 4.021 -16.141 -12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 226 2.237 -18.442 -12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 226 2.378 -17.151 -11.607 1.00 0.00 H new ATOM 66 N LYS A 227 -0.043 -17.376 -13.164 1.00 0.00 N ATOM 67 CA LYS A 227 -1.297 -16.845 -13.686 1.00 0.00 C ATOM 68 C LYS A 227 -2.363 -16.798 -12.596 1.00 0.00 C ATOM 69 O LYS A 227 -3.493 -17.245 -12.800 1.00 0.00 O ATOM 70 CB LYS A 227 -1.787 -17.699 -14.857 1.00 0.00 C ATOM 71 CG LYS A 227 -1.496 -19.181 -14.694 1.00 0.00 C ATOM 72 CD LYS A 227 -2.141 -19.741 -13.437 1.00 0.00 C ATOM 73 CE LYS A 227 -2.179 -21.261 -13.460 1.00 0.00 C ATOM 74 NZ LYS A 227 -2.853 -21.817 -12.255 1.00 0.00 N ATOM 0 H LYS A 227 -0.123 -18.296 -12.732 1.00 0.00 H new ATOM 0 HA LYS A 227 -1.115 -15.829 -14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -2.862 -17.559 -14.973 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -1.319 -17.344 -15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -1.864 -19.723 -15.565 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -0.418 -19.339 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -1.587 -19.403 -12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -3.155 -19.352 -13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -2.701 -21.598 -14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -1.162 -21.649 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -2.858 -22.856 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -2.341 -21.517 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -3.832 -21.467 -12.212 1.00 0.00 H new ATOM 88 N ILE A 228 -1.998 -16.255 -11.440 1.00 0.00 N ATOM 89 CA ILE A 228 -2.924 -16.148 -10.320 1.00 0.00 C ATOM 90 C ILE A 228 -3.068 -14.700 -9.862 1.00 0.00 C ATOM 91 O ILE A 228 -2.147 -13.897 -10.009 1.00 0.00 O ATOM 92 CB ILE A 228 -2.468 -17.009 -9.127 1.00 0.00 C ATOM 93 CG1 ILE A 228 -0.942 -17.109 -9.097 1.00 0.00 C ATOM 94 CG2 ILE A 228 -3.094 -18.394 -9.204 1.00 0.00 C ATOM 95 CD1 ILE A 228 -0.391 -17.547 -7.758 1.00 0.00 C ATOM 0 H ILE A 228 -1.067 -15.882 -11.254 1.00 0.00 H new ATOM 0 HA ILE A 228 -3.889 -16.513 -10.673 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.800 -16.532 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -0.617 -17.814 -9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.517 -16.139 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -2.762 -18.991 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -4.180 -18.304 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.788 -18.880 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 228 0.697 -17.596 -7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -0.685 -16.830 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.787 -18.531 -7.506 1.00 0.00 H new ATOM 107 N ASP A 229 -4.229 -14.375 -9.304 1.00 0.00 N ATOM 108 CA ASP A 229 -4.493 -13.024 -8.821 1.00 0.00 C ATOM 109 C ASP A 229 -3.243 -12.419 -8.190 1.00 0.00 C ATOM 110 O ASP A 229 -2.761 -12.895 -7.163 1.00 0.00 O ATOM 111 CB ASP A 229 -5.637 -13.038 -7.805 1.00 0.00 C ATOM 112 CG ASP A 229 -5.420 -14.056 -6.703 1.00 0.00 C ATOM 113 OD1 ASP A 229 -4.964 -15.176 -7.012 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.708 -13.732 -5.531 1.00 0.00 O ATOM 0 H ASP A 229 -5.002 -15.028 -9.175 1.00 0.00 H new ATOM 0 HA ASP A 229 -4.782 -12.409 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -5.740 -12.046 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -6.573 -13.257 -8.319 1.00 0.00 H new ATOM 119 N MET A 230 -2.723 -11.367 -8.813 1.00 0.00 N ATOM 120 CA MET A 230 -1.528 -10.696 -8.312 1.00 0.00 C ATOM 121 C MET A 230 -1.790 -9.209 -8.097 1.00 0.00 C ATOM 122 O MET A 230 -2.518 -8.566 -8.854 1.00 0.00 O ATOM 123 CB MET A 230 -0.364 -10.886 -9.287 1.00 0.00 C ATOM 124 CG MET A 230 0.404 -12.180 -9.072 1.00 0.00 C ATOM 125 SD MET A 230 1.793 -12.359 -10.207 1.00 0.00 S ATOM 126 CE MET A 230 1.198 -13.677 -11.264 1.00 0.00 C ATOM 0 H MET A 230 -3.109 -10.960 -9.665 1.00 0.00 H new ATOM 0 HA MET A 230 -1.265 -11.143 -7.353 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.748 -10.866 -10.307 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.322 -10.045 -9.189 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.771 -12.214 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 230 -0.273 -13.025 -9.196 1.00 0.00 H new ATOM 0 HE1 MET A 230 1.976 -13.952 -11.976 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.941 -14.544 -10.655 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.315 -13.339 -11.805 1.00 0.00 H new ATOM 136 N PRO A 231 -1.183 -8.647 -7.041 1.00 0.00 N ATOM 137 CA PRO A 231 -1.336 -7.229 -6.702 1.00 0.00 C ATOM 138 C PRO A 231 -0.645 -6.315 -7.709 1.00 0.00 C ATOM 139 O PRO A 231 0.085 -6.779 -8.585 1.00 0.00 O ATOM 140 CB PRO A 231 -0.665 -7.117 -5.331 1.00 0.00 C ATOM 141 CG PRO A 231 0.315 -8.239 -5.296 1.00 0.00 C ATOM 142 CD PRO A 231 -0.302 -9.353 -6.096 1.00 0.00 C ATOM 0 HA PRO A 231 -2.381 -6.919 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.169 -6.154 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.394 -7.203 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.271 -7.935 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.509 -8.556 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.454 -9.942 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.862 -10.041 -5.462 1.00 0.00 H new ATOM 150 N HIS A 232 -0.879 -5.013 -7.577 1.00 0.00 N ATOM 151 CA HIS A 232 -0.278 -4.034 -8.475 1.00 0.00 C ATOM 152 C HIS A 232 1.047 -3.524 -7.915 1.00 0.00 C ATOM 153 O HIS A 232 1.125 -3.112 -6.758 1.00 0.00 O ATOM 154 CB HIS A 232 -1.234 -2.862 -8.700 1.00 0.00 C ATOM 155 CG HIS A 232 -2.406 -3.204 -9.567 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.310 -3.368 -10.933 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.707 -3.414 -9.255 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.501 -3.663 -11.424 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.366 -3.697 -10.426 1.00 0.00 N ATOM 0 H HIS A 232 -1.480 -4.612 -6.857 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.085 -4.524 -9.429 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.597 -2.509 -7.735 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.685 -2.038 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.145 -3.368 -8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.728 -3.845 -12.464 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.362 -3.900 -10.511 1.00 0.00 H new ATOM 167 N ARG A 233 2.086 -3.557 -8.744 1.00 0.00 N ATOM 168 CA ARG A 233 3.407 -3.101 -8.330 1.00 0.00 C ATOM 169 C ARG A 233 3.426 -1.586 -8.146 1.00 0.00 C ATOM 170 O ARG A 233 4.048 -0.863 -8.925 1.00 0.00 O ATOM 171 CB ARG A 233 4.458 -3.513 -9.362 1.00 0.00 C ATOM 172 CG ARG A 233 4.712 -5.011 -9.408 1.00 0.00 C ATOM 173 CD ARG A 233 6.012 -5.334 -10.127 1.00 0.00 C ATOM 174 NE ARG A 233 7.164 -4.707 -9.484 1.00 0.00 N ATOM 175 CZ ARG A 233 7.718 -5.160 -8.366 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.230 -6.239 -7.770 1.00 0.00 N ATOM 177 NH2 ARG A 233 8.764 -4.534 -7.841 1.00 0.00 N ATOM 0 H ARG A 233 2.038 -3.895 -9.705 1.00 0.00 H new ATOM 0 HA ARG A 233 3.643 -3.569 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.138 -3.177 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.394 -3.001 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.749 -5.406 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.883 -5.506 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.154 -6.414 -10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.947 -4.998 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 233 7.565 -3.875 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.427 -6.723 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.658 -6.585 -6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 233 9.143 -3.704 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 233 9.189 -4.883 -6.982 1.00 0.00 H new ATOM 191 N PHE A 234 2.740 -1.112 -7.112 1.00 0.00 N ATOM 192 CA PHE A 234 2.677 0.317 -6.826 1.00 0.00 C ATOM 193 C PHE A 234 4.034 0.839 -6.362 1.00 0.00 C ATOM 194 O PHE A 234 4.767 0.151 -5.652 1.00 0.00 O ATOM 195 CB PHE A 234 1.617 0.599 -5.759 1.00 0.00 C ATOM 196 CG PHE A 234 0.212 0.367 -6.235 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.260 0.997 -7.376 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.638 -0.480 -5.542 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.553 0.786 -7.816 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.932 -0.694 -5.977 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.390 -0.061 -7.116 1.00 0.00 C ATOM 0 H PHE A 234 2.220 -1.696 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 234 2.403 0.835 -7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.808 -0.034 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.714 1.633 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.390 1.660 -7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.285 -0.979 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.909 1.283 -8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.585 -1.356 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.401 -0.228 -7.459 1.00 0.00 H new ATOM 211 N LYS A 235 4.361 2.061 -6.768 1.00 0.00 N ATOM 212 CA LYS A 235 5.628 2.678 -6.395 1.00 0.00 C ATOM 213 C LYS A 235 5.583 4.187 -6.610 1.00 0.00 C ATOM 214 O LYS A 235 5.354 4.659 -7.724 1.00 0.00 O ATOM 215 CB LYS A 235 6.774 2.071 -7.208 1.00 0.00 C ATOM 216 CG LYS A 235 7.351 0.807 -6.595 1.00 0.00 C ATOM 217 CD LYS A 235 8.699 0.457 -7.203 1.00 0.00 C ATOM 218 CE LYS A 235 8.543 -0.177 -8.577 1.00 0.00 C ATOM 219 NZ LYS A 235 8.510 0.846 -9.659 1.00 0.00 N ATOM 0 H LYS A 235 3.765 2.644 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 235 5.799 2.484 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.417 1.847 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.568 2.811 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 235 7.460 0.941 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.657 -0.020 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.308 1.358 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.230 -0.229 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 235 9.368 -0.867 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 235 7.625 -0.764 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 8.792 0.408 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 7.547 1.228 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.169 1.617 -9.428 1.00 0.00 H new ATOM 233 N VAL A 236 5.803 4.941 -5.537 1.00 0.00 N ATOM 234 CA VAL A 236 5.789 6.397 -5.610 1.00 0.00 C ATOM 235 C VAL A 236 6.714 6.901 -6.712 1.00 0.00 C ATOM 236 O VAL A 236 7.786 6.340 -6.942 1.00 0.00 O ATOM 237 CB VAL A 236 6.212 7.029 -4.270 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.533 8.505 -4.454 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.124 6.838 -3.224 1.00 0.00 C ATOM 0 H VAL A 236 5.993 4.567 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 236 4.765 6.693 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 236 7.113 6.526 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 236 6.830 8.935 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.348 8.614 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.651 9.025 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.440 7.290 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.204 7.313 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 236 4.948 5.773 -3.073 1.00 0.00 H new ATOM 249 N TYR A 237 6.293 7.963 -7.390 1.00 0.00 N ATOM 250 CA TYR A 237 7.083 8.542 -8.470 1.00 0.00 C ATOM 251 C TYR A 237 6.885 10.053 -8.539 1.00 0.00 C ATOM 252 O TYR A 237 5.858 10.576 -8.108 1.00 0.00 O ATOM 253 CB TYR A 237 6.702 7.905 -9.807 1.00 0.00 C ATOM 254 CG TYR A 237 7.065 8.751 -11.006 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.383 8.858 -11.432 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.089 9.442 -11.714 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.719 9.631 -12.527 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.416 10.216 -12.811 1.00 0.00 C ATOM 259 CZ TYR A 237 7.732 10.308 -13.213 1.00 0.00 C ATOM 260 OH TYR A 237 8.062 11.077 -14.305 1.00 0.00 O ATOM 0 H TYR A 237 5.409 8.440 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 237 8.134 8.340 -8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.196 6.937 -9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.628 7.717 -9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 237 9.158 8.328 -10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 237 5.058 9.373 -11.402 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.749 9.705 -12.844 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.645 10.746 -13.351 1.00 0.00 H new ATOM 0 HH TYR A 237 7.251 11.486 -14.674 1.00 0.00 H new ATOM 270 N ASN A 238 7.877 10.749 -9.086 1.00 0.00 N ATOM 271 CA ASN A 238 7.813 12.201 -9.213 1.00 0.00 C ATOM 272 C ASN A 238 7.224 12.603 -10.562 1.00 0.00 C ATOM 273 O ASN A 238 7.930 12.654 -11.569 1.00 0.00 O ATOM 274 CB ASN A 238 9.207 12.809 -9.051 1.00 0.00 C ATOM 275 CG ASN A 238 10.116 12.494 -10.223 1.00 0.00 C ATOM 276 OD1 ASN A 238 10.153 11.363 -10.707 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.855 13.496 -10.685 1.00 0.00 N ATOM 0 H ASN A 238 8.734 10.331 -9.448 1.00 0.00 H new ATOM 0 HA ASN A 238 7.164 12.582 -8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 238 9.118 13.890 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.659 12.434 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 238 11.486 13.344 -11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.792 14.418 -10.253 1.00 0.00 H new ATOM 284 N TYR A 239 5.927 12.889 -10.573 1.00 0.00 N ATOM 285 CA TYR A 239 5.242 13.285 -11.798 1.00 0.00 C ATOM 286 C TYR A 239 5.247 14.802 -11.958 1.00 0.00 C ATOM 287 O TYR A 239 5.501 15.539 -11.004 1.00 0.00 O ATOM 288 CB TYR A 239 3.803 12.766 -11.794 1.00 0.00 C ATOM 289 CG TYR A 239 2.829 13.686 -11.094 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.212 14.412 -9.973 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.527 13.831 -11.555 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.325 15.254 -9.330 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.633 14.672 -10.919 1.00 0.00 C ATOM 294 CZ TYR A 239 1.037 15.380 -9.807 1.00 0.00 C ATOM 295 OH TYR A 239 0.151 16.219 -9.170 1.00 0.00 O ATOM 0 H TYR A 239 5.329 12.854 -9.748 1.00 0.00 H new ATOM 0 HA TYR A 239 5.776 12.847 -12.641 1.00 0.00 H new ATOM 0 HB2 TYR A 239 3.476 12.620 -12.823 1.00 0.00 H new ATOM 0 HB3 TYR A 239 3.779 11.790 -11.310 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.220 14.317 -9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.207 13.277 -12.425 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.638 15.810 -8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.376 14.774 -11.291 1.00 0.00 H new ATOM 0 HH TYR A 239 -0.713 16.194 -9.632 1.00 0.00 H new ATOM 305 N LYS A 240 4.963 15.264 -13.171 1.00 0.00 N ATOM 306 CA LYS A 240 4.931 16.693 -13.459 1.00 0.00 C ATOM 307 C LYS A 240 3.595 17.094 -14.075 1.00 0.00 C ATOM 308 O LYS A 240 3.156 18.236 -13.939 1.00 0.00 O ATOM 309 CB LYS A 240 6.074 17.069 -14.405 1.00 0.00 C ATOM 310 CG LYS A 240 6.070 16.284 -15.705 1.00 0.00 C ATOM 311 CD LYS A 240 5.263 16.991 -16.781 1.00 0.00 C ATOM 312 CE LYS A 240 5.215 16.180 -18.066 1.00 0.00 C ATOM 313 NZ LYS A 240 4.567 16.934 -19.175 1.00 0.00 N ATOM 0 H LYS A 240 4.751 14.668 -13.972 1.00 0.00 H new ATOM 0 HA LYS A 240 5.054 17.231 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.011 18.133 -14.633 1.00 0.00 H new ATOM 0 HB3 LYS A 240 7.024 16.908 -13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 240 7.095 16.145 -16.050 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.655 15.292 -15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 240 4.249 17.165 -16.421 1.00 0.00 H new ATOM 0 HD3 LYS A 240 5.701 17.968 -16.983 1.00 0.00 H new ATOM 0 HE2 LYS A 240 6.228 15.903 -18.359 1.00 0.00 H new ATOM 0 HE3 LYS A 240 4.669 15.253 -17.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 4.630 16.381 -20.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 3.567 17.103 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 5.051 17.845 -19.304 1.00 0.00 H new ATOM 327 N SER A 241 2.951 16.148 -14.751 1.00 0.00 N ATOM 328 CA SER A 241 1.666 16.404 -15.389 1.00 0.00 C ATOM 329 C SER A 241 0.518 15.892 -14.524 1.00 0.00 C ATOM 330 O SER A 241 0.685 15.005 -13.687 1.00 0.00 O ATOM 331 CB SER A 241 1.616 15.741 -16.767 1.00 0.00 C ATOM 332 OG SER A 241 2.119 16.607 -17.769 1.00 0.00 O ATOM 0 H SER A 241 3.299 15.197 -14.871 1.00 0.00 H new ATOM 0 HA SER A 241 1.556 17.482 -15.508 1.00 0.00 H new ATOM 0 HB2 SER A 241 2.199 14.820 -16.752 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.589 15.464 -17.004 1.00 0.00 H new ATOM 0 HG SER A 241 1.961 16.212 -18.652 1.00 0.00 H new ATOM 338 N PRO A 242 -0.678 16.465 -14.729 1.00 0.00 N ATOM 339 CA PRO A 242 -1.877 16.084 -13.979 1.00 0.00 C ATOM 340 C PRO A 242 -2.373 14.690 -14.348 1.00 0.00 C ATOM 341 O PRO A 242 -2.195 14.234 -15.478 1.00 0.00 O ATOM 342 CB PRO A 242 -2.904 17.142 -14.390 1.00 0.00 C ATOM 343 CG PRO A 242 -2.451 17.610 -15.730 1.00 0.00 C ATOM 344 CD PRO A 242 -0.950 17.529 -15.710 1.00 0.00 C ATOM 0 HA PRO A 242 -1.691 16.045 -12.906 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.909 16.721 -14.436 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.935 17.963 -13.674 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.865 16.986 -16.522 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.784 18.630 -15.921 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.548 17.282 -16.693 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.501 18.476 -15.411 1.00 0.00 H new ATOM 352 N THR A 243 -2.997 14.015 -13.387 1.00 0.00 N ATOM 353 CA THR A 243 -3.518 12.672 -13.611 1.00 0.00 C ATOM 354 C THR A 243 -4.923 12.525 -13.039 1.00 0.00 C ATOM 355 O THR A 243 -5.311 13.251 -12.123 1.00 0.00 O ATOM 356 CB THR A 243 -2.605 11.603 -12.980 1.00 0.00 C ATOM 357 OG1 THR A 243 -2.019 12.109 -11.775 1.00 0.00 O ATOM 358 CG2 THR A 243 -1.508 11.189 -13.948 1.00 0.00 C ATOM 0 H THR A 243 -3.154 14.377 -12.446 1.00 0.00 H new ATOM 0 HA THR A 243 -3.550 12.521 -14.690 1.00 0.00 H new ATOM 0 HB THR A 243 -3.213 10.728 -12.749 1.00 0.00 H new ATOM 0 HG1 THR A 243 -1.358 11.469 -11.439 1.00 0.00 H new ATOM 0 HG21 THR A 243 -0.876 10.434 -13.481 1.00 0.00 H new ATOM 0 HG22 THR A 243 -1.957 10.778 -14.852 1.00 0.00 H new ATOM 0 HG23 THR A 243 -0.903 12.058 -14.206 1.00 0.00 H new ATOM 366 N PHE A 244 -5.684 11.582 -13.585 1.00 0.00 N ATOM 367 CA PHE A 244 -7.048 11.340 -13.130 1.00 0.00 C ATOM 368 C PHE A 244 -7.192 9.928 -12.570 1.00 0.00 C ATOM 369 O PHE A 244 -7.171 8.948 -13.314 1.00 0.00 O ATOM 370 CB PHE A 244 -8.036 11.549 -14.279 1.00 0.00 C ATOM 371 CG PHE A 244 -8.263 12.994 -14.620 1.00 0.00 C ATOM 372 CD1 PHE A 244 -8.922 13.833 -13.736 1.00 0.00 C ATOM 373 CD2 PHE A 244 -7.817 13.513 -15.825 1.00 0.00 C ATOM 374 CE1 PHE A 244 -9.132 15.163 -14.046 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.024 14.843 -16.140 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.684 15.669 -15.251 1.00 0.00 C ATOM 0 H PHE A 244 -5.379 10.973 -14.344 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.271 12.051 -12.335 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.668 11.029 -15.163 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.990 11.092 -14.015 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -9.276 13.443 -12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -7.302 12.872 -16.525 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -9.646 15.806 -13.347 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -7.670 15.236 -17.081 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.849 16.707 -15.497 1.00 0.00 H new ATOM 386 N CYS A 245 -7.337 9.833 -11.252 1.00 0.00 N ATOM 387 CA CYS A 245 -7.484 8.542 -10.590 1.00 0.00 C ATOM 388 C CYS A 245 -8.671 7.771 -11.158 1.00 0.00 C ATOM 389 O CYS A 245 -9.822 8.046 -10.818 1.00 0.00 O ATOM 390 CB CYS A 245 -7.661 8.736 -9.083 1.00 0.00 C ATOM 391 SG CYS A 245 -7.300 7.249 -8.094 1.00 0.00 S ATOM 0 H CYS A 245 -7.356 10.635 -10.622 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.578 7.963 -10.771 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.010 9.546 -8.753 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.686 9.050 -8.886 1.00 0.00 H new ATOM 396 N GLU A 246 -8.383 6.806 -12.026 1.00 0.00 N ATOM 397 CA GLU A 246 -9.428 5.996 -12.641 1.00 0.00 C ATOM 398 C GLU A 246 -10.105 5.102 -11.605 1.00 0.00 C ATOM 399 O GLU A 246 -11.088 4.423 -11.903 1.00 0.00 O ATOM 400 CB GLU A 246 -8.843 5.139 -13.766 1.00 0.00 C ATOM 401 CG GLU A 246 -8.386 5.944 -14.970 1.00 0.00 C ATOM 402 CD GLU A 246 -9.368 7.036 -15.348 1.00 0.00 C ATOM 403 OE1 GLU A 246 -10.538 6.707 -15.639 1.00 0.00 O ATOM 404 OE2 GLU A 246 -8.969 8.219 -15.353 1.00 0.00 O ATOM 0 H GLU A 246 -7.436 6.566 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 246 -10.176 6.670 -13.058 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.998 4.572 -13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -9.592 4.415 -14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.415 6.391 -14.756 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -8.248 5.274 -15.819 1.00 0.00 H new ATOM 411 N HIS A 247 -9.571 5.108 -10.388 1.00 0.00 N ATOM 412 CA HIS A 247 -10.123 4.299 -9.307 1.00 0.00 C ATOM 413 C HIS A 247 -11.305 5.004 -8.650 1.00 0.00 C ATOM 414 O HIS A 247 -12.454 4.588 -8.805 1.00 0.00 O ATOM 415 CB HIS A 247 -9.046 4.002 -8.263 1.00 0.00 C ATOM 416 CG HIS A 247 -9.568 3.301 -7.047 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.464 1.939 -6.861 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.201 3.782 -5.951 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.011 1.612 -5.704 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.465 2.712 -5.131 1.00 0.00 N ATOM 0 H HIS A 247 -8.757 5.664 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.475 3.359 -9.733 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.268 3.390 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.578 4.938 -7.960 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -9.032 1.286 -7.515 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.452 4.815 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.076 0.614 -5.296 1.00 0.00 H new ATOM 428 N CYS A 248 -11.017 6.072 -7.915 1.00 0.00 N ATOM 429 CA CYS A 248 -12.055 6.835 -7.233 1.00 0.00 C ATOM 430 C CYS A 248 -12.760 7.782 -8.201 1.00 0.00 C ATOM 431 O CYS A 248 -13.966 8.001 -8.104 1.00 0.00 O ATOM 432 CB CYS A 248 -11.454 7.630 -6.072 1.00 0.00 C ATOM 433 SG CYS A 248 -10.206 8.856 -6.578 1.00 0.00 S ATOM 0 H CYS A 248 -10.072 6.429 -7.776 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.789 6.131 -6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.257 8.142 -5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.999 6.935 -5.366 1.00 0.00 H new ATOM 438 N GLY A 249 -11.996 8.340 -9.135 1.00 0.00 N ATOM 439 CA GLY A 249 -12.564 9.256 -10.107 1.00 0.00 C ATOM 440 C GLY A 249 -12.172 10.696 -9.844 1.00 0.00 C ATOM 441 O GLY A 249 -12.836 11.624 -10.309 1.00 0.00 O ATOM 0 H GLY A 249 -10.995 8.174 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -12.236 8.970 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.650 9.170 -10.091 1.00 0.00 H new ATOM 445 N THR A 250 -11.090 10.887 -9.094 1.00 0.00 N ATOM 446 CA THR A 250 -10.613 12.224 -8.767 1.00 0.00 C ATOM 447 C THR A 250 -9.114 12.348 -9.015 1.00 0.00 C ATOM 448 O THR A 250 -8.348 11.429 -8.722 1.00 0.00 O ATOM 449 CB THR A 250 -10.911 12.584 -7.300 1.00 0.00 C ATOM 450 OG1 THR A 250 -10.198 11.703 -6.425 1.00 0.00 O ATOM 451 CG2 THR A 250 -12.402 12.495 -7.013 1.00 0.00 C ATOM 0 H THR A 250 -10.528 10.131 -8.702 1.00 0.00 H new ATOM 0 HA THR A 250 -11.145 12.918 -9.418 1.00 0.00 H new ATOM 0 HB THR A 250 -10.585 13.610 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.944 10.892 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.588 12.754 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.939 13.188 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.749 11.479 -7.202 1.00 0.00 H new ATOM 459 N LEU A 251 -8.701 13.490 -9.554 1.00 0.00 N ATOM 460 CA LEU A 251 -7.291 13.735 -9.840 1.00 0.00 C ATOM 461 C LEU A 251 -6.454 13.643 -8.569 1.00 0.00 C ATOM 462 O LEU A 251 -6.983 13.424 -7.478 1.00 0.00 O ATOM 463 CB LEU A 251 -7.113 15.111 -10.484 1.00 0.00 C ATOM 464 CG LEU A 251 -7.100 16.303 -9.527 1.00 0.00 C ATOM 465 CD1 LEU A 251 -5.968 17.256 -9.878 1.00 0.00 C ATOM 466 CD2 LEU A 251 -8.438 17.027 -9.559 1.00 0.00 C ATOM 0 H LEU A 251 -9.322 14.261 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.948 12.969 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -6.178 15.110 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.916 15.259 -11.206 1.00 0.00 H new ATOM 0 HG LEU A 251 -6.935 15.931 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -5.974 18.099 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -5.015 16.732 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -6.102 17.621 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -8.411 17.873 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -8.633 17.387 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -9.230 16.341 -9.259 1.00 0.00 H new ATOM 478 N LEU A 252 -5.145 13.815 -8.715 1.00 0.00 N ATOM 479 CA LEU A 252 -4.233 13.755 -7.578 1.00 0.00 C ATOM 480 C LEU A 252 -3.990 15.146 -7.000 1.00 0.00 C ATOM 481 O LEU A 252 -4.023 16.142 -7.722 1.00 0.00 O ATOM 482 CB LEU A 252 -2.903 13.125 -7.998 1.00 0.00 C ATOM 483 CG LEU A 252 -2.908 11.607 -8.180 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.661 10.935 -7.043 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.520 11.233 -9.522 1.00 0.00 C ATOM 0 H LEU A 252 -4.691 13.997 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.693 13.137 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.587 13.582 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.151 13.379 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 252 -1.877 11.255 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.654 9.855 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -3.179 11.175 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -4.691 11.292 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.515 10.149 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.546 11.598 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.938 11.684 -10.326 1.00 0.00 H new ATOM 497 N TRP A 253 -3.745 15.204 -5.697 1.00 0.00 N ATOM 498 CA TRP A 253 -3.494 16.473 -5.022 1.00 0.00 C ATOM 499 C TRP A 253 -2.107 16.488 -4.388 1.00 0.00 C ATOM 500 O TRP A 253 -1.792 17.361 -3.581 1.00 0.00 O ATOM 501 CB TRP A 253 -4.559 16.726 -3.954 1.00 0.00 C ATOM 502 CG TRP A 253 -5.906 17.054 -4.525 1.00 0.00 C ATOM 503 CD1 TRP A 253 -6.751 16.200 -5.173 1.00 0.00 C ATOM 504 CD2 TRP A 253 -6.560 18.327 -4.499 1.00 0.00 C ATOM 505 NE1 TRP A 253 -7.892 16.866 -5.552 1.00 0.00 N ATOM 506 CE2 TRP A 253 -7.799 18.172 -5.150 1.00 0.00 C ATOM 507 CE3 TRP A 253 -6.220 19.583 -3.988 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -8.697 19.225 -5.303 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -7.112 20.628 -4.141 1.00 0.00 C ATOM 510 CH2 TRP A 253 -8.339 20.444 -4.793 1.00 0.00 C ATOM 0 H TRP A 253 -3.715 14.388 -5.086 1.00 0.00 H new ATOM 0 HA TRP A 253 -3.541 17.267 -5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -4.646 15.843 -3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -4.234 17.546 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -6.552 15.155 -5.360 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -8.680 16.454 -6.052 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -5.277 19.734 -3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -9.642 19.085 -5.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -6.859 21.603 -3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -9.015 21.280 -4.895 1.00 0.00 H new ATOM 521 N GLY A 254 -1.281 15.514 -4.759 1.00 0.00 N ATOM 522 CA GLY A 254 0.063 15.434 -4.216 1.00 0.00 C ATOM 523 C GLY A 254 1.020 16.395 -4.895 1.00 0.00 C ATOM 524 O GLY A 254 0.617 17.184 -5.750 1.00 0.00 O ATOM 0 H GLY A 254 -1.518 14.779 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.034 15.649 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.436 14.416 -4.326 1.00 0.00 H new ATOM 528 N LEU A 255 2.290 16.330 -4.512 1.00 0.00 N ATOM 529 CA LEU A 255 3.308 17.202 -5.088 1.00 0.00 C ATOM 530 C LEU A 255 4.243 16.417 -6.003 1.00 0.00 C ATOM 531 O LEU A 255 4.285 16.650 -7.211 1.00 0.00 O ATOM 532 CB LEU A 255 4.113 17.881 -3.979 1.00 0.00 C ATOM 533 CG LEU A 255 3.325 18.798 -3.043 1.00 0.00 C ATOM 534 CD1 LEU A 255 2.773 19.992 -3.806 1.00 0.00 C ATOM 535 CD2 LEU A 255 2.200 18.029 -2.365 1.00 0.00 C ATOM 0 H LEU A 255 2.640 15.683 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 255 2.804 17.965 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.591 17.107 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 255 4.910 18.464 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 255 4.002 19.167 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.215 20.633 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 255 3.596 20.557 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 255 2.111 19.643 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 255 1.650 18.697 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 255 1.524 17.631 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 255 2.619 17.207 -1.784 1.00 0.00 H new ATOM 547 N ALA A 256 4.990 15.485 -5.419 1.00 0.00 N ATOM 548 CA ALA A 256 5.921 14.663 -6.182 1.00 0.00 C ATOM 549 C ALA A 256 5.691 13.180 -5.913 1.00 0.00 C ATOM 550 O ALA A 256 6.608 12.368 -6.038 1.00 0.00 O ATOM 551 CB ALA A 256 7.356 15.046 -5.852 1.00 0.00 C ATOM 0 H ALA A 256 4.968 15.281 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 256 5.743 14.845 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.040 14.424 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 256 7.520 16.094 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.538 14.894 -4.788 1.00 0.00 H new ATOM 557 N ARG A 257 4.463 12.834 -5.542 1.00 0.00 N ATOM 558 CA ARG A 257 4.114 11.448 -5.253 1.00 0.00 C ATOM 559 C ARG A 257 2.891 11.016 -6.057 1.00 0.00 C ATOM 560 O ARG A 257 2.753 9.846 -6.413 1.00 0.00 O ATOM 561 CB ARG A 257 3.844 11.269 -3.758 1.00 0.00 C ATOM 562 CG ARG A 257 5.093 11.367 -2.898 1.00 0.00 C ATOM 563 CD ARG A 257 5.466 12.815 -2.619 1.00 0.00 C ATOM 564 NE ARG A 257 4.700 13.373 -1.508 1.00 0.00 N ATOM 565 CZ ARG A 257 5.004 14.518 -0.908 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.053 15.223 -1.310 1.00 0.00 N ATOM 567 NH2 ARG A 257 4.259 14.961 0.097 1.00 0.00 N ATOM 0 H ARG A 257 3.693 13.494 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 257 4.957 10.820 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 257 3.129 12.025 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 257 3.376 10.298 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 257 4.929 10.844 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 257 5.922 10.867 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 257 6.530 12.878 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 257 5.294 13.413 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 257 3.887 12.855 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 257 6.628 14.886 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 257 6.284 16.102 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 257 3.452 14.422 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 257 4.494 15.841 0.557 1.00 0.00 H new ATOM 581 N GLN A 258 2.008 11.969 -6.339 1.00 0.00 N ATOM 582 CA GLN A 258 0.797 11.686 -7.099 1.00 0.00 C ATOM 583 C GLN A 258 0.249 10.304 -6.756 1.00 0.00 C ATOM 584 O GLN A 258 -0.234 9.583 -7.628 1.00 0.00 O ATOM 585 CB GLN A 258 1.079 11.777 -8.600 1.00 0.00 C ATOM 586 CG GLN A 258 2.117 10.779 -9.086 1.00 0.00 C ATOM 587 CD GLN A 258 1.983 10.471 -10.565 1.00 0.00 C ATOM 588 OE1 GLN A 258 1.454 11.275 -11.333 1.00 0.00 O ATOM 589 NE2 GLN A 258 2.464 9.303 -10.972 1.00 0.00 N ATOM 0 H GLN A 258 2.109 12.943 -6.053 1.00 0.00 H new ATOM 0 HA GLN A 258 0.048 12.431 -6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 258 0.149 11.617 -9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.418 12.785 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 258 3.114 11.173 -8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.022 9.855 -8.516 1.00 0.00 H new ATOM 0 HE21 GLN A 258 2.895 8.667 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 258 2.403 9.041 -11.956 1.00 0.00 H new ATOM 598 N GLY A 259 0.327 9.942 -5.479 1.00 0.00 N ATOM 599 CA GLY A 259 -0.165 8.648 -5.044 1.00 0.00 C ATOM 600 C GLY A 259 0.815 7.528 -5.334 1.00 0.00 C ATOM 601 O GLY A 259 1.848 7.410 -4.673 1.00 0.00 O ATOM 0 H GLY A 259 0.722 10.522 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.368 8.681 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -1.111 8.436 -5.542 1.00 0.00 H new ATOM 605 N LEU A 260 0.491 6.703 -6.322 1.00 0.00 N ATOM 606 CA LEU A 260 1.349 5.584 -6.698 1.00 0.00 C ATOM 607 C LEU A 260 1.130 5.195 -8.156 1.00 0.00 C ATOM 608 O LEU A 260 0.017 5.291 -8.675 1.00 0.00 O ATOM 609 CB LEU A 260 1.080 4.382 -5.791 1.00 0.00 C ATOM 610 CG LEU A 260 1.312 4.604 -4.296 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.688 3.478 -3.486 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.800 4.716 -3.998 1.00 0.00 C ATOM 0 H LEU A 260 -0.360 6.787 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 260 2.386 5.897 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.046 4.068 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 260 1.713 3.557 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 260 0.833 5.540 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.863 3.653 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.385 3.444 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.138 2.528 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.946 4.874 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.302 3.797 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.219 5.557 -4.550 1.00 0.00 H new ATOM 624 N LYS A 261 2.197 4.754 -8.812 1.00 0.00 N ATOM 625 CA LYS A 261 2.122 4.346 -10.210 1.00 0.00 C ATOM 626 C LYS A 261 2.655 2.928 -10.393 1.00 0.00 C ATOM 627 O LYS A 261 3.829 2.658 -10.139 1.00 0.00 O ATOM 628 CB LYS A 261 2.914 5.317 -11.089 1.00 0.00 C ATOM 629 CG LYS A 261 3.226 4.769 -12.471 1.00 0.00 C ATOM 630 CD LYS A 261 1.972 4.652 -13.321 1.00 0.00 C ATOM 631 CE LYS A 261 1.655 5.960 -14.030 1.00 0.00 C ATOM 632 NZ LYS A 261 2.729 6.348 -14.985 1.00 0.00 N ATOM 0 H LYS A 261 3.125 4.670 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 261 1.075 4.363 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.349 6.243 -11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.848 5.569 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.944 5.421 -12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.696 3.790 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.103 3.860 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.130 4.365 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 261 0.711 5.863 -14.566 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.523 6.751 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.324 6.931 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.460 6.892 -14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.155 5.492 -15.395 1.00 0.00 H new ATOM 646 N CYS A 262 1.785 2.027 -10.836 1.00 0.00 N ATOM 647 CA CYS A 262 2.168 0.637 -11.054 1.00 0.00 C ATOM 648 C CYS A 262 3.210 0.527 -12.163 1.00 0.00 C ATOM 649 O CYS A 262 3.078 1.150 -13.217 1.00 0.00 O ATOM 650 CB CYS A 262 0.939 -0.203 -11.408 1.00 0.00 C ATOM 651 SG CYS A 262 1.117 -1.977 -11.035 1.00 0.00 S ATOM 0 H CYS A 262 0.810 2.234 -11.051 1.00 0.00 H new ATOM 0 HA CYS A 262 2.605 0.258 -10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.078 0.187 -10.865 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.726 -0.086 -12.471 1.00 0.00 H new ATOM 656 N ASP A 263 4.244 -0.270 -11.918 1.00 0.00 N ATOM 657 CA ASP A 263 5.309 -0.463 -12.896 1.00 0.00 C ATOM 658 C ASP A 263 5.160 -1.806 -13.603 1.00 0.00 C ATOM 659 O ASP A 263 5.935 -2.136 -14.501 1.00 0.00 O ATOM 660 CB ASP A 263 6.676 -0.379 -12.217 1.00 0.00 C ATOM 661 CG ASP A 263 7.755 0.139 -13.148 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.950 1.371 -13.204 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.404 -0.689 -13.821 1.00 0.00 O ATOM 0 H ASP A 263 4.368 -0.793 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 263 5.233 0.330 -13.640 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.607 0.274 -11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.958 -1.367 -11.852 1.00 0.00 H new ATOM 668 N ALA A 264 4.159 -2.578 -13.191 1.00 0.00 N ATOM 669 CA ALA A 264 3.908 -3.885 -13.785 1.00 0.00 C ATOM 670 C ALA A 264 2.919 -3.782 -14.942 1.00 0.00 C ATOM 671 O ALA A 264 3.019 -4.517 -15.925 1.00 0.00 O ATOM 672 CB ALA A 264 3.392 -4.854 -12.732 1.00 0.00 C ATOM 0 H ALA A 264 3.509 -2.320 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 264 4.851 -4.264 -14.180 1.00 0.00 H new ATOM 0 HB1 ALA A 264 3.209 -5.826 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 264 4.134 -4.960 -11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.463 -4.471 -12.310 1.00 0.00 H new ATOM 678 N CYS A 265 1.964 -2.867 -14.817 1.00 0.00 N ATOM 679 CA CYS A 265 0.956 -2.668 -15.851 1.00 0.00 C ATOM 680 C CYS A 265 0.901 -1.205 -16.283 1.00 0.00 C ATOM 681 O CYS A 265 0.759 -0.902 -17.466 1.00 0.00 O ATOM 682 CB CYS A 265 -0.418 -3.114 -15.345 1.00 0.00 C ATOM 683 SG CYS A 265 -1.061 -2.116 -13.963 1.00 0.00 S ATOM 0 H CYS A 265 1.867 -2.251 -14.010 1.00 0.00 H new ATOM 0 HA CYS A 265 1.232 -3.273 -16.714 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.128 -3.072 -16.171 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.357 -4.156 -15.029 1.00 0.00 H new ATOM 688 N GLY A 266 1.014 -0.303 -15.313 1.00 0.00 N ATOM 689 CA GLY A 266 0.976 1.117 -15.613 1.00 0.00 C ATOM 690 C GLY A 266 -0.369 1.740 -15.295 1.00 0.00 C ATOM 691 O GLY A 266 -1.214 1.892 -16.176 1.00 0.00 O ATOM 0 H GLY A 266 1.131 -0.530 -14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.753 1.627 -15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.203 1.269 -16.668 1.00 0.00 H new ATOM 695 N MET A 267 -0.569 2.100 -14.031 1.00 0.00 N ATOM 696 CA MET A 267 -1.821 2.709 -13.599 1.00 0.00 C ATOM 697 C MET A 267 -1.575 3.734 -12.496 1.00 0.00 C ATOM 698 O MET A 267 -0.810 3.486 -11.565 1.00 0.00 O ATOM 699 CB MET A 267 -2.793 1.635 -13.106 1.00 0.00 C ATOM 700 CG MET A 267 -4.117 2.194 -12.612 1.00 0.00 C ATOM 701 SD MET A 267 -5.337 0.906 -12.288 1.00 0.00 S ATOM 702 CE MET A 267 -4.284 -0.416 -11.695 1.00 0.00 C ATOM 0 H MET A 267 0.120 1.980 -13.289 1.00 0.00 H new ATOM 0 HA MET A 267 -2.261 3.221 -14.455 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.985 0.931 -13.916 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.322 1.073 -12.300 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.948 2.766 -11.700 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.514 2.887 -13.354 1.00 0.00 H new ATOM 0 HE1 MET A 267 -4.900 -1.217 -11.287 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.686 -0.803 -12.520 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.624 -0.034 -10.917 1.00 0.00 H new ATOM 712 N ASN A 268 -2.229 4.886 -12.608 1.00 0.00 N ATOM 713 CA ASN A 268 -2.080 5.948 -11.620 1.00 0.00 C ATOM 714 C ASN A 268 -3.242 5.939 -10.632 1.00 0.00 C ATOM 715 O ASN A 268 -4.408 5.954 -11.027 1.00 0.00 O ATOM 716 CB ASN A 268 -1.997 7.309 -12.314 1.00 0.00 C ATOM 717 CG ASN A 268 -1.254 7.241 -13.634 1.00 0.00 C ATOM 718 OD1 ASN A 268 -1.608 6.461 -14.518 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.219 8.061 -13.774 1.00 0.00 N ATOM 0 H ASN A 268 -2.867 5.107 -13.373 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.157 5.771 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -3.004 7.688 -12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.498 8.020 -11.655 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.318 8.061 -14.641 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.039 8.691 -13.014 1.00 0.00 H new ATOM 726 N VAL A 269 -2.916 5.914 -9.343 1.00 0.00 N ATOM 727 CA VAL A 269 -3.931 5.905 -8.297 1.00 0.00 C ATOM 728 C VAL A 269 -3.429 6.600 -7.037 1.00 0.00 C ATOM 729 O VAL A 269 -2.223 6.691 -6.804 1.00 0.00 O ATOM 730 CB VAL A 269 -4.358 4.468 -7.942 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.994 3.787 -9.144 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.166 3.669 -7.436 1.00 0.00 C ATOM 0 H VAL A 269 -1.956 5.900 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.792 6.447 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.101 4.514 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.289 2.773 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.873 4.349 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.276 3.750 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.485 2.656 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.399 3.630 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.759 4.148 -6.546 1.00 0.00 H new ATOM 742 N HIS A 270 -4.362 7.090 -6.226 1.00 0.00 N ATOM 743 CA HIS A 270 -4.014 7.777 -4.988 1.00 0.00 C ATOM 744 C HIS A 270 -3.203 6.866 -4.070 1.00 0.00 C ATOM 745 O HIS A 270 -2.890 5.730 -4.426 1.00 0.00 O ATOM 746 CB HIS A 270 -5.278 8.249 -4.269 1.00 0.00 C ATOM 747 CG HIS A 270 -5.800 9.559 -4.773 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.948 9.671 -5.529 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.325 10.818 -4.624 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.155 10.942 -5.825 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.185 11.659 -5.287 1.00 0.00 N ATOM 0 H HIS A 270 -5.364 7.024 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.404 8.644 -5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -6.054 7.491 -4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -5.068 8.337 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.435 11.107 -4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.978 11.329 -6.408 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -6.090 12.672 -5.353 1.00 0.00 H new ATOM 759 N HIS A 271 -2.865 7.374 -2.889 1.00 0.00 N ATOM 760 CA HIS A 271 -2.090 6.606 -1.921 1.00 0.00 C ATOM 761 C HIS A 271 -2.957 5.544 -1.251 1.00 0.00 C ATOM 762 O HIS A 271 -2.486 4.449 -0.943 1.00 0.00 O ATOM 763 CB HIS A 271 -1.492 7.534 -0.864 1.00 0.00 C ATOM 764 CG HIS A 271 -0.301 8.304 -1.347 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.762 7.715 -1.997 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.010 9.624 -1.272 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.656 8.638 -2.301 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.212 9.806 -1.872 1.00 0.00 N ATOM 0 H HIS A 271 -3.115 8.313 -2.580 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.281 6.106 -2.454 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.258 8.235 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.204 6.943 0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.624 10.391 -0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.591 8.467 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.698 10.698 -1.970 1.00 0.00 H new ATOM 776 N ARG A 272 -4.224 5.876 -1.027 1.00 0.00 N ATOM 777 CA ARG A 272 -5.155 4.952 -0.392 1.00 0.00 C ATOM 778 C ARG A 272 -5.923 4.149 -1.438 1.00 0.00 C ATOM 779 O ARG A 272 -6.178 2.958 -1.258 1.00 0.00 O ATOM 780 CB ARG A 272 -6.135 5.715 0.502 1.00 0.00 C ATOM 781 CG ARG A 272 -6.943 6.767 -0.241 1.00 0.00 C ATOM 782 CD ARG A 272 -8.059 7.327 0.627 1.00 0.00 C ATOM 783 NE ARG A 272 -7.579 8.370 1.529 1.00 0.00 N ATOM 784 CZ ARG A 272 -8.211 8.728 2.642 1.00 0.00 C ATOM 785 NH1 ARG A 272 -9.342 8.128 2.988 1.00 0.00 N ATOM 786 NH2 ARG A 272 -7.711 9.687 3.411 1.00 0.00 N ATOM 0 H ARG A 272 -4.629 6.778 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.578 4.259 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.819 5.005 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -5.580 6.197 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -6.285 7.577 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -7.368 6.330 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -8.845 7.732 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -8.505 6.521 1.210 1.00 0.00 H new ATOM 0 HE ARG A 272 -6.711 8.850 1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -9.729 7.390 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -9.825 8.404 3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -6.841 10.150 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -8.197 9.961 4.265 1.00 0.00 H new ATOM 800 N CYS A 273 -6.290 4.810 -2.530 1.00 0.00 N ATOM 801 CA CYS A 273 -7.030 4.159 -3.605 1.00 0.00 C ATOM 802 C CYS A 273 -6.319 2.889 -4.064 1.00 0.00 C ATOM 803 O CYS A 273 -6.910 2.044 -4.736 1.00 0.00 O ATOM 804 CB CYS A 273 -7.200 5.116 -4.787 1.00 0.00 C ATOM 805 SG CYS A 273 -8.422 6.438 -4.504 1.00 0.00 S ATOM 0 H CYS A 273 -6.087 5.796 -2.694 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.013 3.886 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.236 5.570 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.498 4.543 -5.665 1.00 0.00 H new ATOM 810 N GLN A 274 -5.049 2.762 -3.694 1.00 0.00 N ATOM 811 CA GLN A 274 -4.258 1.596 -4.068 1.00 0.00 C ATOM 812 C GLN A 274 -4.753 0.348 -3.344 1.00 0.00 C ATOM 813 O GLN A 274 -4.939 -0.705 -3.955 1.00 0.00 O ATOM 814 CB GLN A 274 -2.781 1.832 -3.750 1.00 0.00 C ATOM 815 CG GLN A 274 -2.392 1.434 -2.335 1.00 0.00 C ATOM 816 CD GLN A 274 -0.909 1.604 -2.068 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.071 1.052 -2.781 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.578 2.371 -1.036 1.00 0.00 N ATOM 0 H GLN A 274 -4.546 3.452 -3.136 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.371 1.441 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.171 1.270 -4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.550 2.887 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.957 2.037 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.671 0.394 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.306 2.809 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.404 2.522 -0.807 1.00 0.00 H new ATOM 827 N THR A 275 -4.965 0.473 -2.038 1.00 0.00 N ATOM 828 CA THR A 275 -5.437 -0.645 -1.230 1.00 0.00 C ATOM 829 C THR A 275 -6.907 -0.942 -1.507 1.00 0.00 C ATOM 830 O THR A 275 -7.498 -1.831 -0.894 1.00 0.00 O ATOM 831 CB THR A 275 -5.256 -0.367 0.274 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.932 -1.369 1.043 1.00 0.00 O ATOM 833 CG2 THR A 275 -5.795 1.008 0.639 1.00 0.00 C ATOM 0 H THR A 275 -4.817 1.337 -1.517 1.00 0.00 H new ATOM 0 HA THR A 275 -4.836 -1.511 -1.507 1.00 0.00 H new ATOM 0 HB THR A 275 -4.190 -0.394 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.354 -2.015 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 275 -5.656 1.182 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 275 -5.259 1.771 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 275 -6.857 1.058 0.398 1.00 0.00 H new ATOM 841 N LYS A 276 -7.492 -0.192 -2.435 1.00 0.00 N ATOM 842 CA LYS A 276 -8.893 -0.376 -2.796 1.00 0.00 C ATOM 843 C LYS A 276 -9.020 -1.133 -4.114 1.00 0.00 C ATOM 844 O LYS A 276 -10.044 -1.760 -4.385 1.00 0.00 O ATOM 845 CB LYS A 276 -9.595 0.980 -2.904 1.00 0.00 C ATOM 846 CG LYS A 276 -9.803 1.665 -1.565 1.00 0.00 C ATOM 847 CD LYS A 276 -10.552 2.978 -1.721 1.00 0.00 C ATOM 848 CE LYS A 276 -10.318 3.898 -0.532 1.00 0.00 C ATOM 849 NZ LYS A 276 -11.159 3.518 0.637 1.00 0.00 N ATOM 0 H LYS A 276 -7.018 0.549 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.371 -0.964 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.008 1.633 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.563 0.841 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -10.359 1.005 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.837 1.850 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.230 3.475 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.619 2.780 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -9.266 3.865 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.539 4.926 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -10.971 4.168 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.164 3.574 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -10.931 2.546 0.928 1.00 0.00 H new ATOM 863 N VAL A 277 -7.973 -1.071 -4.931 1.00 0.00 N ATOM 864 CA VAL A 277 -7.968 -1.752 -6.220 1.00 0.00 C ATOM 865 C VAL A 277 -7.949 -3.266 -6.041 1.00 0.00 C ATOM 866 O VAL A 277 -7.812 -3.768 -4.925 1.00 0.00 O ATOM 867 CB VAL A 277 -6.755 -1.333 -7.071 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.060 -1.494 -8.553 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.352 0.100 -6.755 1.00 0.00 C ATOM 0 H VAL A 277 -7.118 -0.556 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.883 -1.461 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.918 -1.986 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.191 -1.193 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.296 -2.537 -8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.911 -0.868 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.493 0.379 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.185 0.769 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.089 0.180 -5.700 1.00 0.00 H new ATOM 879 N ALA A 278 -8.089 -3.989 -7.147 1.00 0.00 N ATOM 880 CA ALA A 278 -8.086 -5.446 -7.113 1.00 0.00 C ATOM 881 C ALA A 278 -6.688 -5.999 -7.372 1.00 0.00 C ATOM 882 O ALA A 278 -5.884 -5.378 -8.066 1.00 0.00 O ATOM 883 CB ALA A 278 -9.071 -6.000 -8.131 1.00 0.00 C ATOM 0 H ALA A 278 -8.206 -3.589 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.394 -5.762 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.058 -7.089 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.074 -5.641 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.788 -5.667 -9.130 1.00 0.00 H new ATOM 889 N ASN A 279 -6.405 -7.168 -6.808 1.00 0.00 N ATOM 890 CA ASN A 279 -5.103 -7.804 -6.977 1.00 0.00 C ATOM 891 C ASN A 279 -5.016 -8.515 -8.324 1.00 0.00 C ATOM 892 O ASN A 279 -4.677 -9.697 -8.393 1.00 0.00 O ATOM 893 CB ASN A 279 -4.848 -8.800 -5.844 1.00 0.00 C ATOM 894 CG ASN A 279 -4.943 -8.155 -4.475 1.00 0.00 C ATOM 895 OD1 ASN A 279 -3.947 -7.676 -3.932 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.145 -8.141 -3.910 1.00 0.00 N ATOM 0 H ASN A 279 -7.060 -7.695 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.340 -7.027 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.570 -9.614 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.859 -9.241 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.271 -7.721 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.942 -8.550 -4.397 1.00 0.00 H new ATOM 903 N LEU A 280 -5.323 -7.787 -9.392 1.00 0.00 N ATOM 904 CA LEU A 280 -5.278 -8.347 -10.738 1.00 0.00 C ATOM 905 C LEU A 280 -4.438 -7.474 -11.664 1.00 0.00 C ATOM 906 O LEU A 280 -4.970 -6.766 -12.520 1.00 0.00 O ATOM 907 CB LEU A 280 -6.694 -8.490 -11.299 1.00 0.00 C ATOM 908 CG LEU A 280 -7.527 -9.642 -10.735 1.00 0.00 C ATOM 909 CD1 LEU A 280 -6.971 -10.979 -11.199 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.566 -9.577 -9.215 1.00 0.00 C ATOM 0 H LEU A 280 -5.606 -6.808 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.815 -9.332 -10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.230 -7.558 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.624 -8.614 -12.380 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.546 -9.546 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -7.576 -11.787 -10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -6.995 -11.025 -12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -5.942 -11.085 -10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.163 -10.404 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.552 -9.648 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.011 -8.632 -8.903 1.00 0.00 H new ATOM 922 N CYS A 281 -3.122 -7.530 -11.488 1.00 0.00 N ATOM 923 CA CYS A 281 -2.207 -6.746 -12.309 1.00 0.00 C ATOM 924 C CYS A 281 -1.747 -7.544 -13.526 1.00 0.00 C ATOM 925 O CYS A 281 -1.162 -8.617 -13.392 1.00 0.00 O ATOM 926 CB CYS A 281 -0.994 -6.311 -11.483 1.00 0.00 C ATOM 927 SG CYS A 281 0.217 -5.313 -12.409 1.00 0.00 S ATOM 0 H CYS A 281 -2.665 -8.110 -10.784 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.739 -5.861 -12.657 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.340 -5.737 -10.623 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.496 -7.199 -11.094 1.00 0.00 H new ATOM 932 N GLY A 282 -2.018 -7.010 -14.713 1.00 0.00 N ATOM 933 CA GLY A 282 -1.625 -7.684 -15.936 1.00 0.00 C ATOM 934 C GLY A 282 -2.281 -9.043 -16.085 1.00 0.00 C ATOM 935 O GLY A 282 -1.896 -9.834 -16.947 1.00 0.00 O ATOM 0 H GLY A 282 -2.503 -6.123 -14.849 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.888 -7.061 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.542 -7.803 -15.950 1.00 0.00 H new ATOM 939 N ILE A 283 -3.272 -9.315 -15.243 1.00 0.00 N ATOM 940 CA ILE A 283 -3.981 -10.588 -15.284 1.00 0.00 C ATOM 941 C ILE A 283 -4.895 -10.668 -16.502 1.00 0.00 C ATOM 942 O ILE A 283 -4.490 -11.136 -17.565 1.00 0.00 O ATOM 943 CB ILE A 283 -4.820 -10.807 -14.011 1.00 0.00 C ATOM 944 CG1 ILE A 283 -3.907 -11.030 -12.804 1.00 0.00 C ATOM 945 CG2 ILE A 283 -5.763 -11.987 -14.194 1.00 0.00 C ATOM 946 CD1 ILE A 283 -2.769 -11.988 -13.076 1.00 0.00 C ATOM 0 H ILE A 283 -3.602 -8.671 -14.524 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.224 -11.369 -15.348 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.418 -9.914 -13.830 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.496 -10.071 -12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -4.502 -11.412 -11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.349 -12.129 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -6.433 -11.791 -15.031 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.184 -12.888 -14.396 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.163 -12.098 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -3.172 -12.959 -13.363 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -2.151 -11.598 -13.884 1.00 0.00 H new ATOM 958 N ASN A 284 -6.131 -10.207 -16.339 1.00 0.00 N ATOM 959 CA ASN A 284 -7.103 -10.225 -17.426 1.00 0.00 C ATOM 960 C ASN A 284 -6.423 -9.977 -18.769 1.00 0.00 C ATOM 961 O ASN A 284 -6.554 -10.771 -19.699 1.00 0.00 O ATOM 962 CB ASN A 284 -8.186 -9.170 -17.188 1.00 0.00 C ATOM 963 CG ASN A 284 -9.491 -9.515 -17.878 1.00 0.00 C ATOM 964 OD1 ASN A 284 -10.393 -10.094 -17.271 1.00 0.00 O ATOM 965 ND2 ASN A 284 -9.598 -9.161 -19.153 1.00 0.00 N ATOM 0 H ASN A 284 -6.483 -9.817 -15.465 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.565 -11.212 -17.450 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.361 -9.068 -16.117 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.833 -8.203 -17.547 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.453 -9.367 -19.670 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -8.825 -8.683 -19.616 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.537 -3.198 -11.949 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -8.094 8.049 -6.042 1.00 0.00 ZN