USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 Single : A 183 LYS NZ :NH3+ 175:sc= -2.71! (180deg=-2.77!) USER MOD Single : A 193 THR OG1 : rot 45:sc= -1.09! USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 15:sc= 0.747 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.02! USER MOD Single : A 229 THR OG1 : rot 180:sc=-0.00753 USER MOD Single : A 231 LYS NZ :NH3+ 149:sc= -0.0561 (180deg=-1.21) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot -79:sc= -1.5! USER MOD Single : A 245 HIS :FLIP no HD1:sc= -22.5! C(o=-29!,f=-22!) USER MOD Single : A 246 ASN :FLIP amide:sc= -0.211 F(o=-0.96,f=-0.21) USER MOD Single : A 250 SER OG : rot 18:sc= 0.401 USER MOD Single : A 251 LYS NZ :NH3+ -143:sc= -0.209 (180deg=-1.51!) USER MOD Single : A 252 CYS SG : rot 180:sc= 0.162 USER MOD Single : A 255 LYS NZ :NH3+ 155:sc= 0.0571 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.977 8.371 -5.079 1.00 0.00 N ATOM 2 CA LYS A 183 -0.757 7.150 -5.911 1.00 0.00 C ATOM 3 C LYS A 183 -1.182 5.960 -5.066 1.00 0.00 C ATOM 4 O LYS A 183 -1.236 6.054 -3.858 1.00 0.00 O ATOM 5 CB LYS A 183 0.740 7.136 -6.212 1.00 0.00 C ATOM 6 CG LYS A 183 1.285 5.691 -6.337 1.00 0.00 C ATOM 7 CD LYS A 183 1.781 5.487 -7.755 1.00 0.00 C ATOM 8 CE LYS A 183 3.299 5.673 -7.803 1.00 0.00 C ATOM 9 NZ LYS A 183 3.758 4.809 -8.926 1.00 0.00 N ATOM 0 HA LYS A 183 -1.321 7.124 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 183 0.930 7.678 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.275 7.660 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.094 5.528 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.503 4.969 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.516 4.488 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.297 6.197 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.564 6.716 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.763 5.377 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.778 4.948 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.575 3.812 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.243 5.063 -9.793 1.00 0.00 H new ATOM 23 N ILE A 184 -1.477 4.846 -5.655 1.00 0.00 N ATOM 24 CA ILE A 184 -1.879 3.698 -4.820 1.00 0.00 C ATOM 25 C ILE A 184 -1.102 2.441 -5.227 1.00 0.00 C ATOM 26 O ILE A 184 -0.406 2.429 -6.224 1.00 0.00 O ATOM 27 CB ILE A 184 -3.377 3.522 -5.065 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.613 3.149 -6.531 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.104 4.830 -4.752 1.00 0.00 C ATOM 30 CD1 ILE A 184 -3.498 1.633 -6.698 1.00 0.00 C ATOM 0 H ILE A 184 -1.458 4.682 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.665 3.865 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.759 2.731 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.600 3.486 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.884 3.652 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.172 4.703 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.937 5.099 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.722 5.622 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -3.666 1.368 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -2.502 1.308 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.244 1.141 -6.074 1.00 0.00 H new ATOM 42 N PHE A 185 -1.211 1.381 -4.469 1.00 0.00 N ATOM 43 CA PHE A 185 -0.472 0.135 -4.829 1.00 0.00 C ATOM 44 C PHE A 185 -1.406 -1.078 -4.776 1.00 0.00 C ATOM 45 O PHE A 185 -2.168 -1.253 -3.848 1.00 0.00 O ATOM 46 CB PHE A 185 0.688 0.049 -3.814 1.00 0.00 C ATOM 47 CG PHE A 185 0.854 -1.349 -3.238 1.00 0.00 C ATOM 48 CD1 PHE A 185 0.831 -2.476 -4.070 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.032 -1.508 -1.858 1.00 0.00 C ATOM 50 CE1 PHE A 185 0.983 -3.756 -3.521 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.184 -2.788 -1.312 1.00 0.00 C ATOM 52 CZ PHE A 185 1.159 -3.911 -2.142 1.00 0.00 C ATOM 0 H PHE A 185 -1.776 1.324 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 185 -0.086 0.149 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.616 0.351 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.510 0.754 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.696 -2.358 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.052 -0.641 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 185 0.964 -4.624 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.321 -2.907 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.275 -4.898 -1.720 1.00 0.00 H new ATOM 62 N VAL A 186 -1.337 -1.915 -5.779 1.00 0.00 N ATOM 63 CA VAL A 186 -2.207 -3.123 -5.809 1.00 0.00 C ATOM 64 C VAL A 186 -1.382 -4.389 -5.628 1.00 0.00 C ATOM 65 O VAL A 186 -0.220 -4.446 -5.986 1.00 0.00 O ATOM 66 CB VAL A 186 -2.827 -3.154 -7.205 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.892 -4.262 -7.267 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.478 -1.802 -7.517 1.00 0.00 C ATOM 0 H VAL A 186 -0.713 -1.811 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.949 -3.081 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 186 -2.047 -3.354 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.335 -4.285 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.428 -5.225 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.669 -4.062 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.918 -1.831 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.257 -1.595 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.723 -1.017 -7.477 1.00 0.00 H new ATOM 78 N GLY A 187 -1.987 -5.426 -5.128 1.00 0.00 N ATOM 79 CA GLY A 187 -1.249 -6.706 -4.986 1.00 0.00 C ATOM 80 C GLY A 187 -1.751 -7.638 -6.075 1.00 0.00 C ATOM 81 O GLY A 187 -1.822 -8.841 -5.924 1.00 0.00 O ATOM 0 H GLY A 187 -2.957 -5.443 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -0.176 -6.544 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -1.418 -7.140 -4.000 1.00 0.00 H new ATOM 148 N THR A 193 -0.385 -5.773 -15.896 1.00 0.00 N ATOM 149 CA THR A 193 -1.324 -4.817 -15.239 1.00 0.00 C ATOM 150 C THR A 193 -2.295 -4.234 -16.281 1.00 0.00 C ATOM 151 O THR A 193 -1.886 -3.482 -17.143 1.00 0.00 O ATOM 152 CB THR A 193 -0.430 -3.717 -14.661 1.00 0.00 C ATOM 153 OG1 THR A 193 0.243 -4.212 -13.513 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.289 -2.513 -14.272 1.00 0.00 C ATOM 0 HA THR A 193 -1.931 -5.293 -14.468 1.00 0.00 H new ATOM 0 HB THR A 193 0.302 -3.412 -15.408 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.588 -5.110 -13.698 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.652 -1.730 -13.860 1.00 0.00 H new ATOM 0 HG22 THR A 193 -1.806 -2.135 -15.154 1.00 0.00 H new ATOM 0 HG23 THR A 193 -2.022 -2.815 -13.524 1.00 0.00 H new ATOM 162 N PRO A 194 -3.552 -4.608 -16.180 1.00 0.00 N ATOM 163 CA PRO A 194 -4.579 -4.120 -17.138 1.00 0.00 C ATOM 164 C PRO A 194 -4.732 -2.595 -17.076 1.00 0.00 C ATOM 165 O PRO A 194 -5.801 -2.092 -16.825 1.00 0.00 O ATOM 166 CB PRO A 194 -5.855 -4.809 -16.645 1.00 0.00 C ATOM 167 CG PRO A 194 -5.513 -5.669 -15.414 1.00 0.00 C ATOM 168 CD PRO A 194 -4.014 -5.533 -15.118 1.00 0.00 C ATOM 0 HA PRO A 194 -4.329 -4.343 -18.175 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.610 -4.066 -16.388 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.277 -5.431 -17.434 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.099 -5.346 -14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.768 -6.712 -15.600 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.833 -5.128 -14.122 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.503 -6.494 -15.169 1.00 0.00 H new ATOM 176 N GLU A 195 -3.677 -1.865 -17.310 1.00 0.00 N ATOM 177 CA GLU A 195 -3.749 -0.374 -17.270 1.00 0.00 C ATOM 178 C GLU A 195 -5.054 0.136 -17.831 1.00 0.00 C ATOM 179 O GLU A 195 -5.843 0.725 -17.139 1.00 0.00 O ATOM 180 CB GLU A 195 -2.661 0.116 -18.212 1.00 0.00 C ATOM 181 CG GLU A 195 -1.610 0.903 -17.429 1.00 0.00 C ATOM 182 CD GLU A 195 -0.771 1.738 -18.399 1.00 0.00 C ATOM 183 OE1 GLU A 195 -1.347 2.304 -19.313 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.434 1.796 -18.211 1.00 0.00 O ATOM 0 H GLU A 195 -2.755 -2.242 -17.530 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.647 -0.032 -16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.194 -0.731 -18.714 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -3.096 0.746 -18.988 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -2.095 1.552 -16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -0.969 0.220 -16.872 1.00 0.00 H new ATOM 191 N GLU A 196 -5.267 -0.043 -19.096 1.00 0.00 N ATOM 192 CA GLU A 196 -6.505 0.491 -19.690 1.00 0.00 C ATOM 193 C GLU A 196 -7.685 0.112 -18.803 1.00 0.00 C ATOM 194 O GLU A 196 -8.564 0.908 -18.532 1.00 0.00 O ATOM 195 CB GLU A 196 -6.614 -0.146 -21.075 1.00 0.00 C ATOM 196 CG GLU A 196 -6.475 0.937 -22.147 1.00 0.00 C ATOM 197 CD GLU A 196 -5.179 1.715 -21.920 1.00 0.00 C ATOM 198 OE1 GLU A 196 -4.163 1.081 -21.688 1.00 0.00 O ATOM 199 OE2 GLU A 196 -5.224 2.933 -21.980 1.00 0.00 O ATOM 0 H GLU A 196 -4.642 -0.532 -19.737 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.499 1.578 -19.773 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.838 -0.900 -21.202 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.573 -0.655 -21.179 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -6.471 0.484 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -7.329 1.613 -22.109 1.00 0.00 H new ATOM 206 N LYS A 197 -7.683 -1.094 -18.317 1.00 0.00 N ATOM 207 CA LYS A 197 -8.779 -1.528 -17.406 1.00 0.00 C ATOM 208 C LYS A 197 -8.526 -0.896 -16.040 1.00 0.00 C ATOM 209 O LYS A 197 -9.433 -0.620 -15.278 1.00 0.00 O ATOM 210 CB LYS A 197 -8.670 -3.051 -17.336 1.00 0.00 C ATOM 211 CG LYS A 197 -9.998 -3.678 -17.767 1.00 0.00 C ATOM 212 CD LYS A 197 -10.258 -3.364 -19.242 1.00 0.00 C ATOM 213 CE LYS A 197 -9.164 -4.004 -20.100 1.00 0.00 C ATOM 214 NZ LYS A 197 -9.699 -3.973 -21.490 1.00 0.00 N ATOM 0 H LYS A 197 -6.972 -1.799 -18.509 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.772 -1.231 -17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.865 -3.399 -17.983 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.421 -3.362 -16.321 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -9.969 -4.757 -17.614 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.811 -3.290 -17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.236 -3.743 -19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.273 -2.285 -19.398 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -8.228 -3.450 -20.025 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -8.957 -5.025 -19.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.005 -4.395 -22.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -10.586 -4.514 -21.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.880 -2.988 -21.770 1.00 0.00 H new ATOM 228 N ILE A 198 -7.282 -0.643 -15.748 1.00 0.00 N ATOM 229 CA ILE A 198 -6.917 -0.005 -14.464 1.00 0.00 C ATOM 230 C ILE A 198 -7.505 1.408 -14.451 1.00 0.00 C ATOM 231 O ILE A 198 -8.232 1.787 -13.560 1.00 0.00 O ATOM 232 CB ILE A 198 -5.369 -0.006 -14.458 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.887 -0.612 -13.146 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.808 1.418 -14.562 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.439 -2.031 -12.999 1.00 0.00 C ATOM 0 H ILE A 198 -6.493 -0.857 -16.358 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.299 -0.513 -13.579 1.00 0.00 H new ATOM 0 HB ILE A 198 -5.024 -0.583 -15.316 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.797 -0.631 -13.122 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.214 0.004 -12.308 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.719 1.381 -14.555 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -5.150 1.877 -15.490 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.156 2.009 -13.715 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -5.092 -2.461 -12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.529 -2.000 -13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -5.090 -2.645 -13.829 1.00 0.00 H new ATOM 247 N ARG A 199 -7.209 2.172 -15.463 1.00 0.00 N ATOM 248 CA ARG A 199 -7.757 3.547 -15.554 1.00 0.00 C ATOM 249 C ARG A 199 -9.277 3.472 -15.427 1.00 0.00 C ATOM 250 O ARG A 199 -9.900 4.289 -14.781 1.00 0.00 O ATOM 251 CB ARG A 199 -7.330 4.038 -16.947 1.00 0.00 C ATOM 252 CG ARG A 199 -8.315 5.092 -17.460 1.00 0.00 C ATOM 253 CD ARG A 199 -7.640 5.941 -18.541 1.00 0.00 C ATOM 254 NE ARG A 199 -8.668 6.941 -18.939 1.00 0.00 N ATOM 255 CZ ARG A 199 -9.206 6.885 -20.127 1.00 0.00 C ATOM 256 NH1 ARG A 199 -10.184 6.052 -20.362 1.00 0.00 N ATOM 257 NH2 ARG A 199 -8.767 7.661 -21.080 1.00 0.00 N ATOM 0 H ARG A 199 -6.605 1.898 -16.237 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.401 4.220 -14.774 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.326 4.460 -16.900 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.291 3.198 -17.641 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -9.203 4.608 -17.865 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -8.645 5.727 -16.638 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -6.743 6.427 -18.158 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -7.334 5.330 -19.390 1.00 0.00 H new ATOM 0 HE ARG A 199 -8.952 7.670 -18.284 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -10.527 5.445 -19.617 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -10.605 6.008 -21.290 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -8.003 8.312 -20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -9.188 7.617 -22.008 1.00 0.00 H new ATOM 271 N GLU A 200 -9.877 2.480 -16.028 1.00 0.00 N ATOM 272 CA GLU A 200 -11.355 2.341 -15.926 1.00 0.00 C ATOM 273 C GLU A 200 -11.764 2.303 -14.474 1.00 0.00 C ATOM 274 O GLU A 200 -12.744 2.908 -14.085 1.00 0.00 O ATOM 275 CB GLU A 200 -11.698 1.028 -16.633 1.00 0.00 C ATOM 276 CG GLU A 200 -11.627 1.229 -18.149 1.00 0.00 C ATOM 277 CD GLU A 200 -13.043 1.318 -18.720 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.935 1.707 -17.985 1.00 0.00 O ATOM 279 OE2 GLU A 200 -13.211 0.996 -19.885 1.00 0.00 O ATOM 0 H GLU A 200 -9.409 1.763 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.883 3.178 -16.383 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -11.004 0.246 -16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.696 0.698 -16.346 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.073 2.139 -18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.089 0.402 -18.611 1.00 0.00 H new ATOM 286 N TYR A 201 -11.037 1.619 -13.654 1.00 0.00 N ATOM 287 CA TYR A 201 -11.443 1.602 -12.239 1.00 0.00 C ATOM 288 C TYR A 201 -10.742 2.728 -11.489 1.00 0.00 C ATOM 289 O TYR A 201 -11.348 3.709 -11.106 1.00 0.00 O ATOM 290 CB TYR A 201 -11.014 0.248 -11.685 1.00 0.00 C ATOM 291 CG TYR A 201 -11.984 -0.191 -10.616 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.357 -0.212 -10.884 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.509 -0.582 -9.358 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.258 -0.621 -9.894 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.410 -0.990 -8.367 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.784 -1.011 -8.636 1.00 0.00 C ATOM 297 OH TYR A 201 -14.672 -1.414 -7.660 1.00 0.00 O ATOM 0 H TYR A 201 -10.202 1.085 -13.893 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.517 1.747 -12.128 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.981 -0.490 -12.486 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -10.008 0.315 -11.272 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.722 0.088 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.449 -0.569 -9.152 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.318 -0.636 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.045 -1.288 -7.395 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.179 -1.652 -6.847 1.00 0.00 H new ATOM 307 N PHE A 202 -9.462 2.592 -11.280 1.00 0.00 N ATOM 308 CA PHE A 202 -8.720 3.651 -10.559 1.00 0.00 C ATOM 309 C PHE A 202 -8.975 4.992 -11.240 1.00 0.00 C ATOM 310 O PHE A 202 -9.464 5.928 -10.635 1.00 0.00 O ATOM 311 CB PHE A 202 -7.242 3.262 -10.674 1.00 0.00 C ATOM 312 CG PHE A 202 -6.973 1.990 -9.909 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.953 1.998 -8.509 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.729 0.802 -10.606 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.690 0.814 -7.807 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.467 -0.382 -9.904 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.447 -0.374 -8.505 1.00 0.00 C ATOM 0 H PHE A 202 -8.903 1.793 -11.579 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.026 3.744 -9.517 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.975 3.127 -11.722 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.616 4.066 -10.287 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.140 2.915 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.743 0.797 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.675 0.819 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.281 -1.300 -10.442 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.244 -1.286 -7.963 1.00 0.00 H new ATOM 327 N GLY A 203 -8.680 5.083 -12.507 1.00 0.00 N ATOM 328 CA GLY A 203 -8.945 6.351 -13.224 1.00 0.00 C ATOM 329 C GLY A 203 -10.393 6.733 -12.946 1.00 0.00 C ATOM 330 O GLY A 203 -10.771 7.888 -12.995 1.00 0.00 O ATOM 0 H GLY A 203 -8.270 4.337 -13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.268 7.134 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.778 6.230 -14.294 1.00 0.00 H new ATOM 334 N GLY A 204 -11.202 5.757 -12.622 1.00 0.00 N ATOM 335 CA GLY A 204 -12.625 6.035 -12.305 1.00 0.00 C ATOM 336 C GLY A 204 -12.682 6.852 -11.016 1.00 0.00 C ATOM 337 O GLY A 204 -13.384 7.839 -10.929 1.00 0.00 O ATOM 0 H GLY A 204 -10.931 4.775 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.095 6.582 -13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.176 5.102 -12.187 1.00 0.00 H new ATOM 341 N PHE A 205 -11.932 6.464 -10.015 1.00 0.00 N ATOM 342 CA PHE A 205 -11.943 7.249 -8.748 1.00 0.00 C ATOM 343 C PHE A 205 -11.539 8.687 -9.061 1.00 0.00 C ATOM 344 O PHE A 205 -11.949 9.627 -8.409 1.00 0.00 O ATOM 345 CB PHE A 205 -10.897 6.586 -7.852 1.00 0.00 C ATOM 346 CG PHE A 205 -11.412 5.250 -7.379 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.257 4.118 -8.187 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.044 5.146 -6.135 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.736 2.878 -7.748 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.522 3.908 -5.696 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.369 2.772 -6.502 1.00 0.00 C ATOM 0 H PHE A 205 -11.320 5.648 -10.021 1.00 0.00 H new ATOM 0 HA PHE A 205 -12.922 7.268 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -9.964 6.454 -8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.677 7.226 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.769 4.201 -9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.162 6.022 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.618 2.003 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.009 3.827 -4.736 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.739 1.815 -6.163 1.00 0.00 H new ATOM 361 N GLY A 206 -10.733 8.849 -10.070 1.00 0.00 N ATOM 362 CA GLY A 206 -10.272 10.205 -10.474 1.00 0.00 C ATOM 363 C GLY A 206 -9.306 10.044 -11.645 1.00 0.00 C ATOM 364 O GLY A 206 -8.528 9.111 -11.682 1.00 0.00 O ATOM 0 H GLY A 206 -10.368 8.087 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.120 10.826 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.780 10.705 -9.640 1.00 0.00 H new ATOM 368 N GLU A 207 -9.351 10.922 -12.610 1.00 0.00 N ATOM 369 CA GLU A 207 -8.429 10.777 -13.772 1.00 0.00 C ATOM 370 C GLU A 207 -7.032 10.396 -13.290 1.00 0.00 C ATOM 371 O GLU A 207 -6.563 10.862 -12.270 1.00 0.00 O ATOM 372 CB GLU A 207 -8.400 12.138 -14.461 1.00 0.00 C ATOM 373 CG GLU A 207 -7.754 13.172 -13.537 1.00 0.00 C ATOM 374 CD GLU A 207 -8.078 14.581 -14.041 1.00 0.00 C ATOM 375 OE1 GLU A 207 -7.507 14.977 -15.044 1.00 0.00 O ATOM 376 OE2 GLU A 207 -8.892 15.239 -13.414 1.00 0.00 O ATOM 0 H GLU A 207 -9.979 11.725 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.763 9.994 -14.453 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.841 12.072 -15.395 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.413 12.448 -14.717 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.121 13.045 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.674 13.024 -13.507 1.00 0.00 H new ATOM 383 N VAL A 208 -6.371 9.542 -14.013 1.00 0.00 N ATOM 384 CA VAL A 208 -5.012 9.112 -13.604 1.00 0.00 C ATOM 385 C VAL A 208 -3.949 9.907 -14.352 1.00 0.00 C ATOM 386 O VAL A 208 -4.101 10.234 -15.513 1.00 0.00 O ATOM 387 CB VAL A 208 -4.945 7.638 -14.014 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.483 7.187 -14.149 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.639 6.789 -12.955 1.00 0.00 C ATOM 0 H VAL A 208 -6.717 9.121 -14.875 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.832 9.267 -12.540 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.443 7.515 -14.976 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.452 6.137 -14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.985 7.790 -14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.974 7.313 -13.194 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.593 5.739 -13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.139 6.924 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.681 7.096 -12.868 1.00 0.00 H new ATOM 399 N GLU A 209 -2.848 10.167 -13.714 1.00 0.00 N ATOM 400 CA GLU A 209 -1.751 10.877 -14.411 1.00 0.00 C ATOM 401 C GLU A 209 -0.917 9.799 -15.084 1.00 0.00 C ATOM 402 O GLU A 209 -0.759 9.771 -16.288 1.00 0.00 O ATOM 403 CB GLU A 209 -0.956 11.588 -13.316 1.00 0.00 C ATOM 404 CG GLU A 209 -1.043 13.102 -13.520 1.00 0.00 C ATOM 405 CD GLU A 209 0.367 13.689 -13.598 1.00 0.00 C ATOM 406 OE1 GLU A 209 1.083 13.595 -12.615 1.00 0.00 O ATOM 407 OE2 GLU A 209 0.707 14.225 -14.642 1.00 0.00 O ATOM 0 H GLU A 209 -2.661 9.919 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.079 11.601 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.349 11.320 -12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 209 0.085 11.267 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 209 -1.592 13.325 -14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -1.594 13.559 -12.698 1.00 0.00 H new ATOM 414 N SER A 210 -0.435 8.870 -14.308 1.00 0.00 N ATOM 415 CA SER A 210 0.328 7.744 -14.881 1.00 0.00 C ATOM 416 C SER A 210 0.187 6.561 -13.936 1.00 0.00 C ATOM 417 O SER A 210 -0.197 6.725 -12.798 1.00 0.00 O ATOM 418 CB SER A 210 1.777 8.220 -14.969 1.00 0.00 C ATOM 419 OG SER A 210 1.928 9.052 -16.113 1.00 0.00 O ATOM 0 H SER A 210 -0.541 8.848 -13.294 1.00 0.00 H new ATOM 0 HA SER A 210 -0.023 7.437 -15.866 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.047 8.769 -14.067 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.450 7.365 -15.035 1.00 0.00 H new ATOM 0 HG SER A 210 1.045 9.325 -16.438 1.00 0.00 H new ATOM 425 N ILE A 211 0.486 5.379 -14.368 1.00 0.00 N ATOM 426 CA ILE A 211 0.353 4.236 -13.432 1.00 0.00 C ATOM 427 C ILE A 211 1.717 3.658 -13.103 1.00 0.00 C ATOM 428 O ILE A 211 2.744 4.209 -13.446 1.00 0.00 O ATOM 429 CB ILE A 211 -0.488 3.189 -14.138 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.211 2.743 -15.424 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.858 3.770 -14.465 1.00 0.00 C ATOM 432 CD1 ILE A 211 0.785 1.339 -15.233 1.00 0.00 C ATOM 0 H ILE A 211 0.811 5.153 -15.308 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.108 4.555 -12.497 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.612 2.325 -13.485 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.495 2.749 -16.255 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.008 3.442 -15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.461 3.017 -14.972 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.355 4.072 -13.543 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.740 4.638 -15.114 1.00 0.00 H new ATOM 0 HD11 ILE A 211 1.283 1.022 -16.149 1.00 0.00 H new ATOM 0 HD12 ILE A 211 1.504 1.348 -14.414 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -0.022 0.645 -14.999 1.00 0.00 H new ATOM 444 N GLU A 212 1.727 2.547 -12.439 1.00 0.00 N ATOM 445 CA GLU A 212 3.018 1.911 -12.076 1.00 0.00 C ATOM 446 C GLU A 212 2.843 0.395 -11.967 1.00 0.00 C ATOM 447 O GLU A 212 1.869 -0.092 -11.441 1.00 0.00 O ATOM 448 CB GLU A 212 3.376 2.519 -10.723 1.00 0.00 C ATOM 449 CG GLU A 212 4.546 1.746 -10.111 1.00 0.00 C ATOM 450 CD GLU A 212 5.747 1.805 -11.057 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.843 0.944 -11.916 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.549 2.713 -10.908 1.00 0.00 O ATOM 0 H GLU A 212 0.894 2.047 -12.129 1.00 0.00 H new ATOM 0 HA GLU A 212 3.798 2.082 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.643 3.569 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.514 2.483 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.811 2.172 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.259 0.709 -9.935 1.00 0.00 H new ATOM 459 N LEU A 213 3.773 -0.362 -12.455 1.00 0.00 N ATOM 460 CA LEU A 213 3.632 -1.838 -12.359 1.00 0.00 C ATOM 461 C LEU A 213 4.688 -2.381 -11.415 1.00 0.00 C ATOM 462 O LEU A 213 5.401 -1.613 -10.801 1.00 0.00 O ATOM 463 CB LEU A 213 3.826 -2.336 -13.779 1.00 0.00 C ATOM 464 CG LEU A 213 2.941 -1.513 -14.711 1.00 0.00 C ATOM 465 CD1 LEU A 213 2.895 -2.179 -16.086 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.526 -1.450 -14.123 1.00 0.00 C ATOM 0 H LEU A 213 4.621 -0.030 -12.914 1.00 0.00 H new ATOM 0 HA LEU A 213 2.669 -2.160 -11.963 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.872 -2.244 -14.072 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.567 -3.393 -13.848 1.00 0.00 H new ATOM 0 HG LEU A 213 3.343 -0.505 -14.813 1.00 0.00 H new ATOM 0 HD11 LEU A 213 2.263 -1.593 -16.753 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.903 -2.235 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 213 2.486 -3.185 -15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.884 -0.864 -14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 213 1.125 -2.459 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 213 1.561 -0.982 -13.139 1.00 0.00 H new ATOM 478 N PRO A 214 4.754 -3.676 -11.282 1.00 0.00 N ATOM 479 CA PRO A 214 5.724 -4.241 -10.357 1.00 0.00 C ATOM 480 C PRO A 214 7.155 -3.928 -10.809 1.00 0.00 C ATOM 481 O PRO A 214 7.386 -3.535 -11.935 1.00 0.00 O ATOM 482 CB PRO A 214 5.424 -5.742 -10.401 1.00 0.00 C ATOM 483 CG PRO A 214 4.249 -5.970 -11.368 1.00 0.00 C ATOM 484 CD PRO A 214 3.892 -4.627 -12.019 1.00 0.00 C ATOM 0 HA PRO A 214 5.650 -3.834 -9.349 1.00 0.00 H new ATOM 0 HB2 PRO A 214 6.302 -6.295 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 214 5.174 -6.109 -9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 214 4.521 -6.701 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 214 3.389 -6.373 -10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 214 4.106 -4.624 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.834 -4.389 -11.905 1.00 0.00 H new ATOM 662 N PHE A 225 4.223 -6.256 -7.012 1.00 0.00 N ATOM 663 CA PHE A 225 2.831 -5.699 -7.053 1.00 0.00 C ATOM 664 C PHE A 225 2.744 -4.700 -8.201 1.00 0.00 C ATOM 665 O PHE A 225 3.574 -4.677 -9.076 1.00 0.00 O ATOM 666 CB PHE A 225 2.624 -4.987 -5.710 1.00 0.00 C ATOM 667 CG PHE A 225 3.936 -4.443 -5.188 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.785 -3.732 -6.042 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.300 -4.651 -3.852 1.00 0.00 C ATOM 670 CE1 PHE A 225 5.999 -3.228 -5.562 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.515 -4.146 -3.371 1.00 0.00 C ATOM 672 CZ PHE A 225 6.364 -3.435 -4.226 1.00 0.00 C ATOM 0 HA PHE A 225 2.074 -6.468 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 225 1.909 -4.173 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.198 -5.682 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.504 -3.572 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.644 -5.200 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.655 -2.679 -6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 225 5.796 -4.305 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.301 -3.046 -3.856 1.00 0.00 H new ATOM 682 N CYS A 226 1.761 -3.863 -8.200 1.00 0.00 N ATOM 683 CA CYS A 226 1.645 -2.853 -9.296 1.00 0.00 C ATOM 684 C CYS A 226 1.046 -1.562 -8.714 1.00 0.00 C ATOM 685 O CYS A 226 -0.053 -1.572 -8.201 1.00 0.00 O ATOM 686 CB CYS A 226 0.679 -3.456 -10.333 1.00 0.00 C ATOM 687 SG CYS A 226 -0.537 -4.546 -9.542 1.00 0.00 S ATOM 0 H CYS A 226 1.027 -3.825 -7.493 1.00 0.00 H new ATOM 0 HA CYS A 226 2.610 -2.619 -9.746 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.163 -2.655 -10.862 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.244 -4.017 -11.077 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.335 -5.034 -10.445 1.00 0.00 H new ATOM 693 N PHE A 227 1.735 -0.451 -8.782 1.00 0.00 N ATOM 694 CA PHE A 227 1.146 0.802 -8.214 1.00 0.00 C ATOM 695 C PHE A 227 0.486 1.626 -9.316 1.00 0.00 C ATOM 696 O PHE A 227 0.329 1.192 -10.433 1.00 0.00 O ATOM 697 CB PHE A 227 2.302 1.620 -7.612 1.00 0.00 C ATOM 698 CG PHE A 227 2.821 1.014 -6.323 1.00 0.00 C ATOM 699 CD1 PHE A 227 2.994 -0.373 -6.186 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.156 1.867 -5.261 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.500 -0.900 -4.990 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.660 1.338 -4.066 1.00 0.00 C ATOM 703 CZ PHE A 227 3.833 -0.046 -3.931 1.00 0.00 C ATOM 0 H PHE A 227 2.662 -0.356 -9.197 1.00 0.00 H new ATOM 0 HA PHE A 227 0.394 0.555 -7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.115 1.683 -8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 227 1.964 2.639 -7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.737 -1.033 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.025 2.934 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.633 -1.967 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 227 3.915 1.997 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.223 -0.454 -3.010 1.00 0.00 H new ATOM 713 N ILE A 228 0.125 2.827 -8.991 1.00 0.00 N ATOM 714 CA ILE A 228 -0.504 3.738 -9.984 1.00 0.00 C ATOM 715 C ILE A 228 -0.475 5.151 -9.390 1.00 0.00 C ATOM 716 O ILE A 228 -0.808 5.333 -8.236 1.00 0.00 O ATOM 717 CB ILE A 228 -1.950 3.253 -10.128 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.981 2.009 -11.030 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.800 4.375 -10.736 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.331 1.897 -11.743 1.00 0.00 C ATOM 0 H ILE A 228 0.240 3.228 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 228 0.001 3.746 -10.950 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.356 2.991 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.178 2.066 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.803 1.115 -10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.830 4.035 -10.841 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.770 5.248 -10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.404 4.641 -11.716 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.335 1.011 -12.377 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.128 1.818 -11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.493 2.783 -12.357 1.00 0.00 H new ATOM 732 N THR A 229 -0.089 6.156 -10.128 1.00 0.00 N ATOM 733 CA THR A 229 -0.068 7.514 -9.519 1.00 0.00 C ATOM 734 C THR A 229 -1.167 8.359 -10.124 1.00 0.00 C ATOM 735 O THR A 229 -1.477 8.255 -11.294 1.00 0.00 O ATOM 736 CB THR A 229 1.311 8.098 -9.837 1.00 0.00 C ATOM 737 OG1 THR A 229 1.531 9.253 -9.038 1.00 0.00 O ATOM 738 CG2 THR A 229 1.386 8.482 -11.315 1.00 0.00 C ATOM 0 H THR A 229 0.206 6.099 -11.103 1.00 0.00 H new ATOM 0 HA THR A 229 -0.237 7.485 -8.443 1.00 0.00 H new ATOM 0 HB THR A 229 2.075 7.351 -9.621 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.414 9.627 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.370 8.897 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.220 7.597 -11.930 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.621 9.226 -11.537 1.00 0.00 H new ATOM 746 N PHE A 230 -1.764 9.191 -9.338 1.00 0.00 N ATOM 747 CA PHE A 230 -2.858 10.041 -9.899 1.00 0.00 C ATOM 748 C PHE A 230 -2.438 11.517 -9.956 1.00 0.00 C ATOM 749 O PHE A 230 -1.328 11.838 -10.329 1.00 0.00 O ATOM 750 CB PHE A 230 -4.045 9.846 -8.970 1.00 0.00 C ATOM 751 CG PHE A 230 -4.473 8.400 -8.957 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.389 7.627 -10.118 1.00 0.00 C ATOM 753 CD2 PHE A 230 -4.953 7.832 -7.770 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.787 6.286 -10.093 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.349 6.492 -7.744 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.266 5.718 -8.906 1.00 0.00 C ATOM 0 H PHE A 230 -1.556 9.327 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.100 9.756 -10.923 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.781 10.162 -7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.875 10.474 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -4.017 8.064 -11.033 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -5.017 8.431 -6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.725 5.688 -10.990 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -5.719 6.055 -6.828 1.00 0.00 H new ATOM 0 HZ PHE A 230 -5.571 4.682 -8.888 1.00 0.00 H new ATOM 766 N LYS A 231 -3.326 12.420 -9.621 1.00 0.00 N ATOM 767 CA LYS A 231 -2.979 13.872 -9.699 1.00 0.00 C ATOM 768 C LYS A 231 -3.210 14.620 -8.365 1.00 0.00 C ATOM 769 O LYS A 231 -2.279 15.093 -7.745 1.00 0.00 O ATOM 770 CB LYS A 231 -3.925 14.394 -10.778 1.00 0.00 C ATOM 771 CG LYS A 231 -3.969 15.926 -10.755 1.00 0.00 C ATOM 772 CD LYS A 231 -5.414 16.393 -10.571 1.00 0.00 C ATOM 773 CE LYS A 231 -5.456 17.557 -9.580 1.00 0.00 C ATOM 774 NZ LYS A 231 -4.488 18.554 -10.116 1.00 0.00 N ATOM 0 H LYS A 231 -4.272 12.216 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.922 14.026 -9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.596 14.048 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.926 13.993 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.347 16.306 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.562 16.326 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -5.831 16.703 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -6.029 15.570 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.459 17.979 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.175 17.233 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -4.802 19.513 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -3.548 18.379 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.437 18.467 -11.151 1.00 0.00 H new ATOM 788 N GLU A 232 -4.444 14.772 -7.951 1.00 0.00 N ATOM 789 CA GLU A 232 -4.742 15.540 -6.694 1.00 0.00 C ATOM 790 C GLU A 232 -4.302 14.810 -5.404 1.00 0.00 C ATOM 791 O GLU A 232 -3.241 15.073 -4.878 1.00 0.00 O ATOM 792 CB GLU A 232 -6.260 15.737 -6.717 1.00 0.00 C ATOM 793 CG GLU A 232 -6.670 16.692 -5.594 1.00 0.00 C ATOM 794 CD GLU A 232 -7.330 17.933 -6.196 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.844 17.831 -7.297 1.00 0.00 O ATOM 796 OE2 GLU A 232 -7.310 18.966 -5.546 1.00 0.00 O ATOM 0 H GLU A 232 -5.263 14.397 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 232 -4.184 16.476 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.570 16.139 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.763 14.778 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -7.360 16.194 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -5.796 16.979 -5.009 1.00 0.00 H new ATOM 803 N GLU A 233 -5.129 13.931 -4.872 1.00 0.00 N ATOM 804 CA GLU A 233 -4.797 13.205 -3.587 1.00 0.00 C ATOM 805 C GLU A 233 -6.105 12.640 -2.994 1.00 0.00 C ATOM 806 O GLU A 233 -6.120 11.653 -2.271 1.00 0.00 O ATOM 807 CB GLU A 233 -4.221 14.275 -2.649 1.00 0.00 C ATOM 808 CG GLU A 233 -5.013 15.579 -2.793 1.00 0.00 C ATOM 809 CD GLU A 233 -5.033 16.314 -1.453 1.00 0.00 C ATOM 810 OE1 GLU A 233 -4.128 17.099 -1.217 1.00 0.00 O ATOM 811 OE2 GLU A 233 -5.951 16.081 -0.684 1.00 0.00 O ATOM 0 H GLU A 233 -6.031 13.681 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.096 12.383 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.263 13.926 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.171 14.450 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.560 16.209 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -6.031 15.365 -3.117 1.00 0.00 H new ATOM 818 N GLU A 234 -7.200 13.290 -3.299 1.00 0.00 N ATOM 819 CA GLU A 234 -8.535 12.868 -2.774 1.00 0.00 C ATOM 820 C GLU A 234 -8.878 11.406 -3.106 1.00 0.00 C ATOM 821 O GLU A 234 -9.228 10.651 -2.221 1.00 0.00 O ATOM 822 CB GLU A 234 -9.530 13.806 -3.456 1.00 0.00 C ATOM 823 CG GLU A 234 -10.183 14.707 -2.407 1.00 0.00 C ATOM 824 CD GLU A 234 -11.656 14.920 -2.761 1.00 0.00 C ATOM 825 OE1 GLU A 234 -11.926 15.741 -3.622 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.490 14.259 -2.163 1.00 0.00 O ATOM 0 H GLU A 234 -7.225 14.112 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.555 12.927 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -9.020 14.412 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.292 13.228 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.097 14.254 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -9.666 15.666 -2.364 1.00 0.00 H new ATOM 833 N PRO A 235 -8.801 11.042 -4.364 1.00 0.00 N ATOM 834 CA PRO A 235 -9.151 9.659 -4.756 1.00 0.00 C ATOM 835 C PRO A 235 -8.366 8.650 -3.921 1.00 0.00 C ATOM 836 O PRO A 235 -8.919 7.690 -3.434 1.00 0.00 O ATOM 837 CB PRO A 235 -8.786 9.618 -6.240 1.00 0.00 C ATOM 838 CG PRO A 235 -8.262 11.007 -6.651 1.00 0.00 C ATOM 839 CD PRO A 235 -8.357 11.953 -5.441 1.00 0.00 C ATOM 0 HA PRO A 235 -10.196 9.398 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -8.027 8.857 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -9.657 9.349 -6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -7.230 10.935 -6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -8.846 11.399 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -7.398 12.417 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -9.070 12.760 -5.611 1.00 0.00 H new ATOM 847 N VAL A 236 -7.096 8.867 -3.707 1.00 0.00 N ATOM 848 CA VAL A 236 -6.345 7.908 -2.853 1.00 0.00 C ATOM 849 C VAL A 236 -7.107 7.766 -1.550 1.00 0.00 C ATOM 850 O VAL A 236 -7.349 6.682 -1.066 1.00 0.00 O ATOM 851 CB VAL A 236 -4.973 8.548 -2.624 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.407 8.134 -1.260 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.032 8.068 -3.712 1.00 0.00 C ATOM 0 H VAL A 236 -6.557 9.650 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.231 6.919 -3.297 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.074 9.633 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.432 8.598 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.085 8.459 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.302 7.050 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.048 8.514 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -3.948 6.982 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.422 8.362 -4.686 1.00 0.00 H new ATOM 863 N LYS A 237 -7.509 8.863 -0.992 1.00 0.00 N ATOM 864 CA LYS A 237 -8.290 8.788 0.270 1.00 0.00 C ATOM 865 C LYS A 237 -9.384 7.751 0.100 1.00 0.00 C ATOM 866 O LYS A 237 -9.645 6.934 0.964 1.00 0.00 O ATOM 867 CB LYS A 237 -8.939 10.155 0.435 1.00 0.00 C ATOM 868 CG LYS A 237 -8.719 10.662 1.861 1.00 0.00 C ATOM 869 CD LYS A 237 -10.056 11.111 2.453 1.00 0.00 C ATOM 870 CE LYS A 237 -9.807 11.843 3.773 1.00 0.00 C ATOM 871 NZ LYS A 237 -11.163 12.087 4.340 1.00 0.00 N ATOM 0 H LYS A 237 -7.335 9.803 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 237 -7.667 8.523 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.514 10.859 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.006 10.090 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.283 9.874 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.013 11.492 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -10.574 11.766 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -10.701 10.248 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -9.199 11.242 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -9.273 12.779 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -11.075 12.586 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -11.717 12.667 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -11.645 11.178 4.490 1.00 0.00 H new ATOM 885 N LYS A 238 -10.036 7.792 -1.026 1.00 0.00 N ATOM 886 CA LYS A 238 -11.132 6.833 -1.280 1.00 0.00 C ATOM 887 C LYS A 238 -10.566 5.440 -1.490 1.00 0.00 C ATOM 888 O LYS A 238 -10.813 4.525 -0.730 1.00 0.00 O ATOM 889 CB LYS A 238 -11.796 7.304 -2.570 1.00 0.00 C ATOM 890 CG LYS A 238 -13.309 7.390 -2.369 1.00 0.00 C ATOM 891 CD LYS A 238 -13.775 8.827 -2.613 1.00 0.00 C ATOM 892 CE LYS A 238 -14.403 9.385 -1.333 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.793 8.851 -1.322 1.00 0.00 N ATOM 0 H LYS A 238 -9.853 8.453 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 238 -11.831 6.792 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.402 8.278 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.566 6.614 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.817 6.711 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.571 7.078 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -12.932 9.447 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -14.499 8.852 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -13.850 9.065 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -14.399 10.475 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -16.289 9.190 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -16.297 9.178 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.765 7.811 -1.314 1.00 0.00 H new ATOM 907 N ILE A 239 -9.808 5.282 -2.532 1.00 0.00 N ATOM 908 CA ILE A 239 -9.215 3.956 -2.822 1.00 0.00 C ATOM 909 C ILE A 239 -8.664 3.367 -1.521 1.00 0.00 C ATOM 910 O ILE A 239 -9.137 2.361 -1.031 1.00 0.00 O ATOM 911 CB ILE A 239 -8.108 4.232 -3.851 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.674 4.038 -5.263 1.00 0.00 C ATOM 913 CG2 ILE A 239 -6.930 3.273 -3.647 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.269 2.635 -5.383 1.00 0.00 C ATOM 0 H ILE A 239 -9.573 6.018 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.928 3.232 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.756 5.255 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.438 4.788 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.887 4.176 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.157 3.485 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.522 3.406 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.273 2.245 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.672 2.495 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.492 1.893 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.068 2.515 -4.651 1.00 0.00 H new ATOM 926 N MET A 240 -7.679 3.999 -0.945 1.00 0.00 N ATOM 927 CA MET A 240 -7.120 3.482 0.335 1.00 0.00 C ATOM 928 C MET A 240 -8.258 3.088 1.288 1.00 0.00 C ATOM 929 O MET A 240 -8.151 2.136 2.034 1.00 0.00 O ATOM 930 CB MET A 240 -6.317 4.645 0.915 1.00 0.00 C ATOM 931 CG MET A 240 -5.086 4.102 1.642 1.00 0.00 C ATOM 932 SD MET A 240 -5.610 3.162 3.097 1.00 0.00 S ATOM 933 CE MET A 240 -4.081 3.346 4.046 1.00 0.00 C ATOM 0 H MET A 240 -7.239 4.847 -1.303 1.00 0.00 H new ATOM 0 HA MET A 240 -6.505 2.594 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 240 -6.012 5.324 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 240 -6.935 5.220 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 240 -4.507 3.465 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.436 4.924 1.942 1.00 0.00 H new ATOM 0 HE1 MET A 240 -4.195 2.862 5.016 1.00 0.00 H new ATOM 0 HE2 MET A 240 -3.258 2.882 3.503 1.00 0.00 H new ATOM 0 HE3 MET A 240 -3.868 4.405 4.191 1.00 0.00 H new ATOM 943 N GLU A 241 -9.347 3.817 1.272 1.00 0.00 N ATOM 944 CA GLU A 241 -10.487 3.484 2.182 1.00 0.00 C ATOM 945 C GLU A 241 -11.102 2.126 1.814 1.00 0.00 C ATOM 946 O GLU A 241 -11.957 1.615 2.511 1.00 0.00 O ATOM 947 CB GLU A 241 -11.505 4.607 1.972 1.00 0.00 C ATOM 948 CG GLU A 241 -12.569 4.541 3.069 1.00 0.00 C ATOM 949 CD GLU A 241 -11.997 5.100 4.372 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.742 6.292 4.420 1.00 0.00 O ATOM 951 OE2 GLU A 241 -11.824 4.328 5.300 1.00 0.00 O ATOM 0 H GLU A 241 -9.496 4.627 0.670 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.167 3.408 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.004 5.575 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -11.971 4.511 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.448 5.112 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.892 3.510 3.215 1.00 0.00 H new ATOM 958 N LYS A 242 -10.672 1.535 0.733 1.00 0.00 N ATOM 959 CA LYS A 242 -11.223 0.207 0.330 1.00 0.00 C ATOM 960 C LYS A 242 -10.077 -0.701 -0.111 1.00 0.00 C ATOM 961 O LYS A 242 -10.097 -1.277 -1.178 1.00 0.00 O ATOM 962 CB LYS A 242 -12.168 0.495 -0.838 1.00 0.00 C ATOM 963 CG LYS A 242 -13.615 0.269 -0.393 1.00 0.00 C ATOM 964 CD LYS A 242 -13.998 -1.192 -0.635 1.00 0.00 C ATOM 965 CE LYS A 242 -14.960 -1.658 0.459 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.665 -2.831 -0.126 1.00 0.00 N ATOM 0 H LYS A 242 -9.960 1.915 0.109 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.745 -0.296 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.038 1.522 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.930 -0.154 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.725 0.515 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -14.284 0.928 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.465 -1.299 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.105 -1.817 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -14.423 -1.932 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.662 -0.870 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.344 -3.208 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.173 -2.538 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -14.972 -3.568 -0.368 1.00 0.00 H new ATOM 980 N LYS A 243 -9.072 -0.799 0.716 1.00 0.00 N ATOM 981 CA LYS A 243 -7.870 -1.637 0.408 1.00 0.00 C ATOM 982 C LYS A 243 -8.193 -2.838 -0.495 1.00 0.00 C ATOM 983 O LYS A 243 -7.362 -3.272 -1.266 1.00 0.00 O ATOM 984 CB LYS A 243 -7.388 -2.130 1.772 1.00 0.00 C ATOM 985 CG LYS A 243 -6.696 -0.986 2.515 1.00 0.00 C ATOM 986 CD LYS A 243 -6.995 -1.091 4.014 1.00 0.00 C ATOM 987 CE LYS A 243 -6.787 -2.535 4.480 1.00 0.00 C ATOM 988 NZ LYS A 243 -6.823 -2.469 5.968 1.00 0.00 N ATOM 0 H LYS A 243 -9.030 -0.322 1.617 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.126 -1.056 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.231 -2.499 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -6.699 -2.965 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.620 -1.027 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -7.043 -0.027 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -6.342 -0.420 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.020 -0.778 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -7.568 -3.190 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -5.835 -2.931 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -6.687 -3.422 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -6.064 -1.844 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -7.743 -2.095 6.277 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.366 -3.400 -0.404 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.670 -4.582 -1.264 1.00 0.00 C ATOM 1004 C TYR A 244 -10.813 -4.261 -2.239 1.00 0.00 C ATOM 1005 O TYR A 244 -11.957 -4.589 -1.993 1.00 0.00 O ATOM 1006 CB TYR A 244 -10.088 -5.676 -0.279 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.654 -7.030 -0.794 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.317 -7.240 -1.152 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.576 -8.079 -0.890 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.902 -8.495 -1.610 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -10.160 -9.338 -1.344 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.823 -9.545 -1.704 1.00 0.00 C ATOM 1013 OH TYR A 244 -8.412 -10.785 -2.150 1.00 0.00 O ATOM 0 H TYR A 244 -10.117 -3.100 0.217 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.819 -4.881 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.640 -5.488 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.169 -5.659 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.605 -6.432 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.608 -7.918 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.871 -8.654 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.871 -10.148 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.342 -10.774 -3.127 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.515 -3.631 -3.350 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.595 -3.308 -4.333 1.00 0.00 C ATOM 1025 C HIS A 245 -11.760 -4.459 -5.331 1.00 0.00 C ATOM 1026 O HIS A 245 -11.481 -5.603 -5.031 1.00 0.00 O ATOM 1027 CB HIS A 245 -11.134 -2.054 -5.085 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.485 -1.069 -4.151 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.234 -1.021 -3.595 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -11.130 0.082 -3.727 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.096 0.139 -2.843 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.266 0.767 -2.955 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.578 -3.329 -3.617 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.548 -3.153 -3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.430 -2.335 -5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.988 -1.586 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -12.140 0.375 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.228 0.462 -2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.481 1.659 -2.509 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.201 -4.155 -6.523 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.378 -5.215 -7.557 1.00 0.00 C ATOM 1042 C ASN A 246 -12.009 -4.657 -8.937 1.00 0.00 C ATOM 1043 O ASN A 246 -12.278 -3.510 -9.239 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.861 -5.583 -7.504 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.187 -6.556 -8.639 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -14.369 -6.093 -9.847 1.00 0.00 O flip ATOM 1047 ND2 ASN A 246 -14.278 -7.748 -8.426 1.00 0.00 N flip ATOM 0 H ASN A 246 -12.447 -3.213 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.743 -6.083 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.100 -6.037 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.473 -4.685 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.136 -8.110 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.496 -8.387 -9.190 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.397 -5.448 -9.775 1.00 0.00 N ATOM 1055 CA VAL A 247 -11.017 -4.941 -11.127 1.00 0.00 C ATOM 1056 C VAL A 247 -11.375 -5.968 -12.204 1.00 0.00 C ATOM 1057 O VAL A 247 -10.850 -7.063 -12.230 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.503 -4.734 -11.068 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.976 -4.430 -12.470 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.182 -3.559 -10.140 1.00 0.00 C ATOM 0 H VAL A 247 -11.144 -6.418 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.544 -4.021 -11.380 1.00 0.00 H new ATOM 0 HB VAL A 247 -9.029 -5.639 -10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.897 -4.282 -12.429 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -9.203 -5.265 -13.133 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -9.452 -3.526 -12.849 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -8.103 -3.412 -10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.657 -2.655 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.558 -3.773 -9.139 1.00 0.00 H new ATOM 1070 N GLY A 248 -12.262 -5.620 -13.094 1.00 0.00 N ATOM 1071 CA GLY A 248 -12.651 -6.573 -14.172 1.00 0.00 C ATOM 1072 C GLY A 248 -13.120 -7.889 -13.552 1.00 0.00 C ATOM 1073 O GLY A 248 -14.290 -8.076 -13.280 1.00 0.00 O ATOM 0 H GLY A 248 -12.735 -4.717 -13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -13.446 -6.143 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -11.804 -6.753 -14.834 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.219 -8.806 -13.329 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.615 -10.113 -12.731 1.00 0.00 C ATOM 1079 C LEU A 249 -11.658 -10.494 -11.599 1.00 0.00 C ATOM 1080 O LEU A 249 -11.419 -11.657 -11.344 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.513 -11.118 -13.880 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.608 -12.177 -13.734 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -14.232 -12.458 -15.101 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -12.998 -13.468 -13.182 1.00 0.00 C ATOM 0 H LEU A 249 -11.225 -8.707 -13.535 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.616 -10.083 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -12.615 -10.604 -14.836 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.532 -11.592 -13.876 1.00 0.00 H new ATOM 0 HG LEU A 249 -14.375 -11.813 -13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -15.012 -13.212 -14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -14.666 -11.540 -15.499 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.464 -12.822 -15.784 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -13.777 -14.223 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -12.231 -13.830 -13.867 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -12.550 -13.271 -12.208 1.00 0.00 H new ATOM 1096 N SER A 250 -11.111 -9.526 -10.917 1.00 0.00 N ATOM 1097 CA SER A 250 -10.174 -9.843 -9.802 1.00 0.00 C ATOM 1098 C SER A 250 -10.241 -8.748 -8.737 1.00 0.00 C ATOM 1099 O SER A 250 -10.566 -7.612 -9.021 1.00 0.00 O ATOM 1100 CB SER A 250 -8.788 -9.882 -10.444 1.00 0.00 C ATOM 1101 OG SER A 250 -8.575 -11.165 -11.018 1.00 0.00 O ATOM 0 H SER A 250 -11.271 -8.532 -11.082 1.00 0.00 H new ATOM 0 HA SER A 250 -10.419 -10.785 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.707 -9.110 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.022 -9.673 -9.697 1.00 0.00 H new ATOM 0 HG SER A 250 -9.436 -11.620 -11.130 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.941 -9.077 -7.512 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.996 -8.047 -6.439 1.00 0.00 C ATOM 1109 C LYS A 251 -8.616 -7.869 -5.790 1.00 0.00 C ATOM 1110 O LYS A 251 -8.463 -7.956 -4.588 1.00 0.00 O ATOM 1111 CB LYS A 251 -11.035 -8.567 -5.438 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.399 -9.583 -4.490 1.00 0.00 C ATOM 1113 CD LYS A 251 -11.463 -10.570 -4.007 1.00 0.00 C ATOM 1114 CE LYS A 251 -10.828 -11.947 -3.801 1.00 0.00 C ATOM 1115 NZ LYS A 251 -10.431 -12.393 -5.166 1.00 0.00 N ATOM 0 H LYS A 251 -9.661 -10.010 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.273 -7.064 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.447 -7.735 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.865 -9.029 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -9.597 -10.118 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.951 -9.070 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.904 -10.218 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -12.271 -10.636 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -9.965 -11.889 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -11.533 -12.643 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -10.586 -13.418 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.005 -11.893 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -9.425 -12.180 -5.322 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.615 -7.600 -6.585 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.245 -7.390 -6.027 1.00 0.00 C ATOM 1131 C CYS A 252 -6.329 -6.543 -4.757 1.00 0.00 C ATOM 1132 O CYS A 252 -7.345 -5.941 -4.475 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.491 -6.630 -7.120 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.548 -7.572 -8.666 1.00 0.00 S ATOM 0 H CYS A 252 -7.686 -7.516 -7.599 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.753 -8.326 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -5.936 -5.646 -7.266 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.456 -6.470 -6.818 1.00 0.00 H new ATOM 0 HG CYS A 252 -4.909 -6.923 -9.593 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.270 -6.455 -3.999 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.340 -5.599 -2.779 1.00 0.00 C ATOM 1142 C GLU A 253 -4.985 -4.185 -3.177 1.00 0.00 C ATOM 1143 O GLU A 253 -4.576 -3.941 -4.291 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.338 -6.129 -1.745 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.154 -6.817 -2.423 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.018 -6.996 -1.413 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -2.023 -7.997 -0.716 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.162 -6.128 -1.355 1.00 0.00 O ATOM 0 H GLU A 253 -4.380 -6.925 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.339 -5.617 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -3.979 -5.305 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.837 -6.832 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.460 -7.786 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.811 -6.223 -3.270 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.167 -3.249 -2.304 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.869 -1.844 -2.693 1.00 0.00 C ATOM 1157 C ILE A 254 -4.360 -1.010 -1.513 1.00 0.00 C ATOM 1158 O ILE A 254 -5.122 -0.372 -0.815 1.00 0.00 O ATOM 1159 CB ILE A 254 -6.211 -1.303 -3.210 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.368 -1.645 -4.698 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -6.276 0.219 -3.045 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.951 -3.053 -4.856 1.00 0.00 C ATOM 0 H ILE A 254 -5.504 -3.385 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 254 -4.075 -1.793 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 254 -7.013 -1.763 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -7.020 -0.917 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.401 -1.585 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -7.233 0.585 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -6.174 0.475 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.467 0.681 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -7.058 -3.286 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.283 -3.778 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.927 -3.099 -4.374 1.00 0.00 H new ATOM 1174 N LYS A 255 -3.073 -0.961 -1.331 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.506 -0.114 -0.250 1.00 0.00 C ATOM 1176 C LYS A 255 -1.979 1.154 -0.920 1.00 0.00 C ATOM 1177 O LYS A 255 -1.062 1.102 -1.709 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.372 -0.939 0.359 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.893 -0.293 1.661 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.380 1.120 1.378 1.00 0.00 C ATOM 1181 CE LYS A 255 0.639 1.516 2.449 1.00 0.00 C ATOM 1182 NZ LYS A 255 1.826 2.002 1.690 1.00 0.00 N ATOM 0 H LYS A 255 -2.387 -1.473 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.218 0.169 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.715 -1.955 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.544 -1.011 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -1.710 -0.256 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.101 -0.895 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.080 1.161 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -1.211 1.826 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 255 0.243 2.293 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.896 0.667 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 2.371 2.660 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 2.426 1.194 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 1.510 2.492 0.829 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.589 2.276 -0.662 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.157 3.533 -1.340 1.00 0.00 C ATOM 1198 C VAL A 256 -0.636 3.623 -1.489 1.00 0.00 C ATOM 1199 O VAL A 256 0.113 2.879 -0.887 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.675 4.664 -0.477 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.272 4.435 0.980 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -2.078 5.976 -0.978 1.00 0.00 C ATOM 0 H VAL A 256 -3.368 2.379 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.553 3.573 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.763 4.704 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.648 5.253 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.695 3.493 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.185 4.395 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.443 6.800 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.991 5.929 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.373 6.137 -2.015 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.182 4.541 -2.299 1.00 0.00 N ATOM 1213 CA ALA A 257 1.280 4.701 -2.520 1.00 0.00 C ATOM 1214 C ALA A 257 1.632 6.181 -2.692 1.00 0.00 C ATOM 1215 O ALA A 257 0.803 6.986 -3.071 1.00 0.00 O ATOM 1216 CB ALA A 257 1.552 3.940 -3.818 1.00 0.00 C ATOM 0 H ALA A 257 -0.769 5.192 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 257 1.872 4.329 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.613 4.004 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.271 2.894 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 257 0.967 4.379 -4.626 1.00 0.00 H new