USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 490 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 Set 1.1: A 27 HIS :FLIP no HD1:sc= -0.0491 X(o=-7.1,f=-6.9) USER MOD Set 1.2: A 31 HIS :FLIP no HD1:sc= -6.82! F(o=-7.5,f=-6.9!) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.051 (180deg=-0.376) USER MOD Single : A 13 MET CE :methyl -178:sc= -1.93 (180deg=-1.97) USER MOD Single : A 14 SER OG : rot 180:sc= -0.114 USER MOD Single : A 15 SER OG : rot -149:sc= 1.11 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.88 F(o=-2.9,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 23 SER OG : rot 88:sc= 1.11 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0168) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 37 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.24) USER MOD Single : A 42 SER OG : rot -175:sc= -1.55 USER MOD Single : A 43 LYS NZ :NH3+ -133:sc=-0.00626 (180deg=-0.208) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 123:sc= -1.19 USER MOD Single : A 46 SER OG : rot -86:sc= 0.579 USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= -0.0047 (180deg=-0.0908) USER MOD Single : A 51 THR OG1 : rot -138:sc= -0.293 USER MOD Single : A 52 MET CE :methyl -148:sc= -1.75 (180deg=-3.35!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= 0.655 (180deg=0.0664) USER MOD Single : A 58 SER OG : rot -118:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ -107:sc= -0.0117 (180deg=-0.213) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0706) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.112 11.455 -3.343 1.00 0.00 N ATOM 164 CA LYS A 12 -12.527 10.159 -3.825 1.00 0.00 C ATOM 165 C LYS A 12 -13.584 9.047 -3.808 1.00 0.00 C ATOM 166 O LYS A 12 -14.764 9.305 -3.664 1.00 0.00 O ATOM 167 CB LYS A 12 -11.393 9.836 -2.848 1.00 0.00 C ATOM 168 CG LYS A 12 -10.330 10.934 -2.917 1.00 0.00 C ATOM 169 CD LYS A 12 -9.258 10.676 -1.854 1.00 0.00 C ATOM 170 CE LYS A 12 -9.750 11.175 -0.490 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.052 9.939 0.288 1.00 0.00 N ATOM 0 HA LYS A 12 -12.169 10.236 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.784 9.757 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.950 8.871 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.877 10.954 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.789 11.910 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.033 9.611 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.333 11.185 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.990 11.778 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.636 11.801 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.830 10.128 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.330 9.178 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.207 9.648 0.819 1.00 0.00 H new ATOM 185 N MET A 13 -13.164 7.816 -3.955 1.00 0.00 N ATOM 186 CA MET A 13 -14.135 6.682 -3.948 1.00 0.00 C ATOM 187 C MET A 13 -13.679 5.600 -2.966 1.00 0.00 C ATOM 188 O MET A 13 -12.765 5.802 -2.189 1.00 0.00 O ATOM 189 CB MET A 13 -14.128 6.146 -5.381 1.00 0.00 C ATOM 190 CG MET A 13 -14.799 7.158 -6.310 1.00 0.00 C ATOM 191 SD MET A 13 -14.711 6.562 -8.017 1.00 0.00 S ATOM 192 CE MET A 13 -16.319 5.734 -8.050 1.00 0.00 C ATOM 0 H MET A 13 -12.188 7.548 -4.080 1.00 0.00 H new ATOM 0 HA MET A 13 -15.131 6.993 -3.635 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.104 5.962 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.653 5.192 -5.426 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.839 7.302 -6.017 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.307 8.127 -6.226 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.462 5.255 -9.019 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.356 4.980 -7.264 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.109 6.467 -7.887 1.00 0.00 H new ATOM 202 N SER A 14 -14.310 4.453 -2.999 1.00 0.00 N ATOM 203 CA SER A 14 -13.921 3.351 -2.069 1.00 0.00 C ATOM 204 C SER A 14 -14.318 1.996 -2.661 1.00 0.00 C ATOM 205 O SER A 14 -15.051 1.925 -3.630 1.00 0.00 O ATOM 206 CB SER A 14 -14.699 3.625 -0.784 1.00 0.00 C ATOM 207 OG SER A 14 -14.641 2.477 0.054 1.00 0.00 O ATOM 0 H SER A 14 -15.079 4.233 -3.632 1.00 0.00 H new ATOM 0 HA SER A 14 -12.846 3.317 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.279 4.488 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.736 3.867 -1.017 1.00 0.00 H new ATOM 0 HG SER A 14 -15.138 2.650 0.881 1.00 0.00 H new ATOM 213 N SER A 15 -13.840 0.924 -2.083 1.00 0.00 N ATOM 214 CA SER A 15 -14.186 -0.434 -2.607 1.00 0.00 C ATOM 215 C SER A 15 -15.658 -0.751 -2.323 1.00 0.00 C ATOM 216 O SER A 15 -16.289 -1.499 -3.046 1.00 0.00 O ATOM 217 CB SER A 15 -13.274 -1.401 -1.852 1.00 0.00 C ATOM 218 OG SER A 15 -13.524 -1.289 -0.457 1.00 0.00 O ATOM 0 H SER A 15 -13.224 0.929 -1.270 1.00 0.00 H new ATOM 0 HA SER A 15 -14.047 -0.505 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.454 -2.423 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.229 -1.175 -2.065 1.00 0.00 H new ATOM 0 HG SER A 15 -12.700 -1.476 0.039 1.00 0.00 H new ATOM 224 N TYR A 16 -16.205 -0.186 -1.276 1.00 0.00 N ATOM 225 CA TYR A 16 -17.637 -0.450 -0.940 1.00 0.00 C ATOM 226 C TYR A 16 -18.554 0.278 -1.926 1.00 0.00 C ATOM 227 O TYR A 16 -19.657 -0.159 -2.199 1.00 0.00 O ATOM 228 CB TYR A 16 -17.827 0.101 0.475 1.00 0.00 C ATOM 229 CG TYR A 16 -18.888 -0.701 1.189 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.241 -0.492 0.893 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.521 -1.652 2.148 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.225 -1.235 1.556 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.506 -2.396 2.810 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.857 -2.187 2.514 1.00 0.00 C ATOM 235 OH TYR A 16 -21.828 -2.919 3.167 1.00 0.00 O ATOM 0 H TYR A 16 -15.721 0.447 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.883 -1.510 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.887 0.052 1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.117 1.151 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.525 0.242 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.478 -1.812 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.268 -1.074 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.222 -3.131 3.549 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.403 -3.536 3.799 1.00 0.00 H new ATOM 245 N ALA A 17 -18.104 1.385 -2.461 1.00 0.00 N ATOM 246 CA ALA A 17 -18.944 2.149 -3.434 1.00 0.00 C ATOM 247 C ALA A 17 -18.889 1.485 -4.812 1.00 0.00 C ATOM 248 O ALA A 17 -19.880 1.415 -5.515 1.00 0.00 O ATOM 249 CB ALA A 17 -18.323 3.546 -3.486 1.00 0.00 C ATOM 0 H ALA A 17 -17.190 1.793 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.992 2.182 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.886 4.169 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.352 3.994 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.288 3.472 -3.821 1.00 0.00 H new ATOM 255 N PHE A 18 -17.739 0.995 -5.199 1.00 0.00 N ATOM 256 CA PHE A 18 -17.612 0.330 -6.532 1.00 0.00 C ATOM 257 C PHE A 18 -18.359 -1.006 -6.524 1.00 0.00 C ATOM 258 O PHE A 18 -18.848 -1.459 -7.542 1.00 0.00 O ATOM 259 CB PHE A 18 -16.111 0.106 -6.730 1.00 0.00 C ATOM 260 CG PHE A 18 -15.520 1.281 -7.472 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.845 1.497 -8.816 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.647 2.156 -6.813 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.297 2.587 -9.503 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.099 3.246 -7.500 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.425 3.461 -8.845 1.00 0.00 C ATOM 0 H PHE A 18 -16.881 1.027 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.039 0.931 -7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.620 -0.012 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.940 -0.814 -7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.519 0.823 -9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.397 1.990 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.547 2.753 -10.540 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.425 3.921 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.003 4.302 -9.375 1.00 0.00 H new ATOM 275 N PHE A 19 -18.449 -1.637 -5.380 1.00 0.00 N ATOM 276 CA PHE A 19 -19.165 -2.947 -5.295 1.00 0.00 C ATOM 277 C PHE A 19 -20.637 -2.767 -5.680 1.00 0.00 C ATOM 278 O PHE A 19 -21.128 -3.400 -6.597 1.00 0.00 O ATOM 279 CB PHE A 19 -19.042 -3.379 -3.833 1.00 0.00 C ATOM 280 CG PHE A 19 -19.389 -4.844 -3.709 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.560 -5.811 -4.287 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.540 -5.232 -3.014 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.882 -7.169 -4.171 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.863 -6.590 -2.898 1.00 0.00 C ATOM 285 CZ PHE A 19 -20.034 -7.558 -3.477 1.00 0.00 C ATOM 0 H PHE A 19 -18.057 -1.301 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.745 -3.691 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.028 -3.203 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.708 -2.783 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.672 -5.510 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.179 -4.485 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.242 -7.916 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.751 -6.890 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.283 -8.605 -3.388 1.00 0.00 H new ATOM 295 N VAL A 20 -21.339 -1.906 -4.987 1.00 0.00 N ATOM 296 CA VAL A 20 -22.782 -1.677 -5.310 1.00 0.00 C ATOM 297 C VAL A 20 -22.909 -1.025 -6.692 1.00 0.00 C ATOM 298 O VAL A 20 -23.884 -1.224 -7.392 1.00 0.00 O ATOM 299 CB VAL A 20 -23.298 -0.738 -4.212 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.771 -0.399 -4.462 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.161 -1.427 -2.852 1.00 0.00 C ATOM 0 H VAL A 20 -20.976 -1.352 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.354 -2.604 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.712 0.181 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.129 0.268 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.872 0.092 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.361 -1.315 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.527 -0.763 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.746 -2.347 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.113 -1.663 -2.667 1.00 0.00 H new ATOM 311 N GLN A 21 -21.929 -0.251 -7.086 1.00 0.00 N ATOM 312 CA GLN A 21 -21.988 0.415 -8.424 1.00 0.00 C ATOM 313 C GLN A 21 -21.845 -0.626 -9.538 1.00 0.00 C ATOM 314 O GLN A 21 -22.407 -0.483 -10.607 1.00 0.00 O ATOM 315 CB GLN A 21 -20.805 1.386 -8.444 1.00 0.00 C ATOM 316 CG GLN A 21 -20.970 2.368 -9.606 1.00 0.00 C ATOM 317 CD GLN A 21 -20.475 1.716 -10.900 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.318 1.503 -11.872 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -19.309 1.397 -11.025 1.00 0.00 N flip ATOM 0 H GLN A 21 -21.091 -0.051 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.936 0.928 -8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.750 1.929 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.870 0.835 -8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.017 2.655 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.408 3.280 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.650 1.564 -10.264 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.989 0.962 -11.891 1.00 0.00 H new ATOM 328 N THR A 22 -21.098 -1.671 -9.289 1.00 0.00 N ATOM 329 CA THR A 22 -20.913 -2.730 -10.327 1.00 0.00 C ATOM 330 C THR A 22 -21.935 -3.852 -10.124 1.00 0.00 C ATOM 331 O THR A 22 -22.331 -4.518 -11.063 1.00 0.00 O ATOM 332 CB THR A 22 -19.492 -3.253 -10.110 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.578 -2.166 -10.157 1.00 0.00 O ATOM 334 CG2 THR A 22 -19.145 -4.264 -11.203 1.00 0.00 C ATOM 0 H THR A 22 -20.607 -1.837 -8.410 1.00 0.00 H new ATOM 0 HA THR A 22 -21.057 -2.348 -11.338 1.00 0.00 H new ATOM 0 HB THR A 22 -19.428 -3.740 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.450 -1.807 -9.254 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.132 -4.635 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.847 -5.097 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.208 -3.781 -12.178 1.00 0.00 H new ATOM 342 N SER A 23 -22.362 -4.064 -8.906 1.00 0.00 N ATOM 343 CA SER A 23 -23.361 -5.141 -8.632 1.00 0.00 C ATOM 344 C SER A 23 -24.772 -4.664 -8.990 1.00 0.00 C ATOM 345 O SER A 23 -25.634 -5.453 -9.325 1.00 0.00 O ATOM 346 CB SER A 23 -23.251 -5.415 -7.132 1.00 0.00 C ATOM 347 OG SER A 23 -21.962 -5.940 -6.844 1.00 0.00 O ATOM 0 H SER A 23 -22.061 -3.536 -8.087 1.00 0.00 H new ATOM 0 HA SER A 23 -23.171 -6.036 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.416 -4.496 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.021 -6.121 -6.822 1.00 0.00 H new ATOM 0 HG SER A 23 -21.336 -5.203 -6.685 1.00 0.00 H new ATOM 353 N ARG A 24 -25.009 -3.377 -8.925 1.00 0.00 N ATOM 354 CA ARG A 24 -26.364 -2.843 -9.266 1.00 0.00 C ATOM 355 C ARG A 24 -26.610 -2.962 -10.771 1.00 0.00 C ATOM 356 O ARG A 24 -27.691 -3.311 -11.207 1.00 0.00 O ATOM 357 CB ARG A 24 -26.336 -1.372 -8.842 1.00 0.00 C ATOM 358 CG ARG A 24 -27.711 -0.743 -9.083 1.00 0.00 C ATOM 359 CD ARG A 24 -27.791 -0.209 -10.518 1.00 0.00 C ATOM 360 NE ARG A 24 -28.379 1.153 -10.392 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.652 1.295 -10.137 1.00 0.00 C ATOM 362 NH1 ARG A 24 -30.538 0.957 -11.034 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.038 1.774 -8.986 1.00 0.00 N ATOM 0 H ARG A 24 -24.323 -2.674 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.161 -3.392 -8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -26.067 -1.292 -7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.575 -0.834 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.494 -1.482 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.881 0.067 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.805 -0.171 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.412 -0.850 -11.143 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.787 1.976 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -30.236 0.582 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -31.532 1.068 -10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.345 2.038 -8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.032 1.885 -8.787 1.00 0.00 H new ATOM 377 N GLU A 25 -25.610 -2.676 -11.565 1.00 0.00 N ATOM 378 CA GLU A 25 -25.772 -2.774 -13.049 1.00 0.00 C ATOM 379 C GLU A 25 -25.945 -4.237 -13.461 1.00 0.00 C ATOM 380 O GLU A 25 -26.773 -4.562 -14.292 1.00 0.00 O ATOM 381 CB GLU A 25 -24.480 -2.201 -13.634 1.00 0.00 C ATOM 382 CG GLU A 25 -24.530 -0.674 -13.578 1.00 0.00 C ATOM 383 CD GLU A 25 -23.432 -0.093 -14.473 1.00 0.00 C ATOM 384 OE1 GLU A 25 -23.222 -0.633 -15.546 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.820 0.882 -14.067 1.00 0.00 O ATOM 0 H GLU A 25 -24.687 -2.378 -11.250 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.650 -2.234 -13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.620 -2.568 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.355 -2.534 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.507 -0.319 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.396 -0.333 -12.552 1.00 0.00 H new ATOM 392 N GLU A 26 -25.172 -5.119 -12.881 1.00 0.00 N ATOM 393 CA GLU A 26 -25.287 -6.569 -13.231 1.00 0.00 C ATOM 394 C GLU A 26 -26.695 -7.085 -12.912 1.00 0.00 C ATOM 395 O GLU A 26 -27.146 -8.061 -13.481 1.00 0.00 O ATOM 396 CB GLU A 26 -24.248 -7.278 -12.357 1.00 0.00 C ATOM 397 CG GLU A 26 -24.201 -8.763 -12.724 1.00 0.00 C ATOM 398 CD GLU A 26 -23.319 -8.956 -13.959 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.109 -8.904 -13.813 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.868 -9.154 -15.031 1.00 0.00 O ATOM 0 H GLU A 26 -24.465 -4.899 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.116 -6.747 -14.293 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.267 -6.826 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.502 -7.161 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -23.808 -9.343 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -25.208 -9.132 -12.922 1.00 0.00 H new ATOM 407 N HIS A 27 -27.391 -6.435 -12.010 1.00 0.00 N ATOM 408 CA HIS A 27 -28.771 -6.887 -11.654 1.00 0.00 C ATOM 409 C HIS A 27 -29.767 -6.448 -12.733 1.00 0.00 C ATOM 410 O HIS A 27 -30.582 -7.228 -13.190 1.00 0.00 O ATOM 411 CB HIS A 27 -29.087 -6.202 -10.324 1.00 0.00 C ATOM 412 CG HIS A 27 -30.350 -6.783 -9.749 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.674 -6.575 -10.046 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.334 -7.714 -8.722 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.469 -7.363 -9.219 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.612 -8.029 -8.441 1.00 0.00 N flip ATOM 0 H HIS A 27 -27.062 -5.612 -11.506 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.841 -7.972 -11.578 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.261 -6.339 -9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.203 -5.129 -10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.456 -8.114 -8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.547 -7.423 -9.209 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.892 -8.695 -7.721 1.00 0.00 H new ATOM 424 N LYS A 28 -29.705 -5.206 -13.140 1.00 0.00 N ATOM 425 CA LYS A 28 -30.647 -4.708 -14.189 1.00 0.00 C ATOM 426 C LYS A 28 -30.434 -5.472 -15.500 1.00 0.00 C ATOM 427 O LYS A 28 -31.346 -5.633 -16.288 1.00 0.00 O ATOM 428 CB LYS A 28 -30.302 -3.227 -14.372 1.00 0.00 C ATOM 429 CG LYS A 28 -31.396 -2.547 -15.198 1.00 0.00 C ATOM 430 CD LYS A 28 -30.894 -1.188 -15.689 1.00 0.00 C ATOM 431 CE LYS A 28 -30.896 -0.192 -14.528 1.00 0.00 C ATOM 432 NZ LYS A 28 -30.459 1.100 -15.128 1.00 0.00 N ATOM 0 H LYS A 28 -29.042 -4.514 -12.791 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.689 -4.850 -13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.210 -2.741 -13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.338 -3.126 -14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.669 -3.174 -16.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -32.295 -2.418 -14.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.888 -1.286 -16.096 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.530 -0.823 -16.496 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.888 -0.106 -14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.218 -0.508 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -30.435 1.834 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -29.509 0.989 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -31.127 1.380 -15.875 1.00 0.00 H new ATOM 446 N LYS A 29 -29.235 -5.939 -15.735 1.00 0.00 N ATOM 447 CA LYS A 29 -28.953 -6.695 -16.996 1.00 0.00 C ATOM 448 C LYS A 29 -29.814 -7.962 -17.075 1.00 0.00 C ATOM 449 O LYS A 29 -30.030 -8.503 -18.144 1.00 0.00 O ATOM 450 CB LYS A 29 -27.468 -7.062 -16.923 1.00 0.00 C ATOM 451 CG LYS A 29 -26.626 -5.874 -17.391 1.00 0.00 C ATOM 452 CD LYS A 29 -25.141 -6.215 -17.262 1.00 0.00 C ATOM 453 CE LYS A 29 -24.303 -4.964 -17.529 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.237 -4.854 -19.013 1.00 0.00 N ATOM 0 H LYS A 29 -28.437 -5.830 -15.109 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.185 -6.103 -17.881 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.199 -7.332 -15.902 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.266 -7.933 -17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -26.865 -5.631 -18.426 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -26.860 -4.992 -16.795 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -24.931 -6.600 -16.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -24.875 -7.001 -17.969 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.762 -4.080 -17.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.307 -5.056 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.582 -4.090 -19.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.899 -5.753 -19.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.184 -4.642 -19.388 1.00 0.00 H new ATOM 468 N LYS A 30 -30.310 -8.437 -15.957 1.00 0.00 N ATOM 469 CA LYS A 30 -31.158 -9.669 -15.974 1.00 0.00 C ATOM 470 C LYS A 30 -32.422 -9.473 -15.126 1.00 0.00 C ATOM 471 O LYS A 30 -33.041 -10.430 -14.703 1.00 0.00 O ATOM 472 CB LYS A 30 -30.274 -10.776 -15.388 1.00 0.00 C ATOM 473 CG LYS A 30 -29.844 -10.419 -13.958 1.00 0.00 C ATOM 474 CD LYS A 30 -28.331 -10.599 -13.807 1.00 0.00 C ATOM 475 CE LYS A 30 -28.007 -12.087 -13.656 1.00 0.00 C ATOM 476 NZ LYS A 30 -26.525 -12.172 -13.770 1.00 0.00 N ATOM 0 H LYS A 30 -30.164 -8.025 -15.036 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.498 -9.913 -16.980 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.818 -11.721 -15.386 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.393 -10.917 -16.015 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.120 -9.389 -13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.367 -11.053 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.817 -10.190 -14.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.973 -10.048 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.352 -12.471 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.497 -12.678 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.226 -13.164 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.227 -11.806 -14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.086 -11.605 -13.017 1.00 0.00 H new ATOM 490 N HIS A 31 -32.813 -8.244 -14.885 1.00 0.00 N ATOM 491 CA HIS A 31 -34.040 -7.990 -14.070 1.00 0.00 C ATOM 492 C HIS A 31 -34.768 -6.736 -14.585 1.00 0.00 C ATOM 493 O HIS A 31 -34.869 -5.750 -13.879 1.00 0.00 O ATOM 494 CB HIS A 31 -33.530 -7.778 -12.643 1.00 0.00 C ATOM 495 CG HIS A 31 -32.904 -9.051 -12.145 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.672 -9.319 -11.604 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.569 -10.265 -12.189 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.571 -10.677 -11.316 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.742 -11.200 -11.692 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.334 -7.407 -15.218 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.754 -8.812 -14.125 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.801 -6.968 -12.622 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.352 -7.484 -11.991 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.571 -10.430 -12.556 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.729 -11.196 -10.883 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.979 -12.189 -11.611 1.00 0.00 H new ATOM 507 N PRO A 32 -35.258 -6.804 -15.806 1.00 0.00 N ATOM 508 CA PRO A 32 -35.977 -5.645 -16.393 1.00 0.00 C ATOM 509 C PRO A 32 -37.365 -5.501 -15.761 1.00 0.00 C ATOM 510 O PRO A 32 -37.899 -4.412 -15.658 1.00 0.00 O ATOM 511 CB PRO A 32 -36.091 -6.001 -17.872 1.00 0.00 C ATOM 512 CG PRO A 32 -36.022 -7.494 -17.921 1.00 0.00 C ATOM 513 CD PRO A 32 -35.193 -7.940 -16.744 1.00 0.00 C ATOM 0 HA PRO A 32 -35.465 -4.697 -16.226 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.027 -5.636 -18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.284 -5.550 -18.449 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.021 -7.927 -17.874 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -35.573 -7.828 -18.856 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.593 -8.850 -16.296 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.166 -8.155 -17.039 1.00 0.00 H new ATOM 521 N ASP A 33 -37.951 -6.594 -15.342 1.00 0.00 N ATOM 522 CA ASP A 33 -39.308 -6.532 -14.719 1.00 0.00 C ATOM 523 C ASP A 33 -39.197 -6.178 -13.234 1.00 0.00 C ATOM 524 O ASP A 33 -40.095 -5.591 -12.659 1.00 0.00 O ATOM 525 CB ASP A 33 -39.887 -7.937 -14.893 1.00 0.00 C ATOM 526 CG ASP A 33 -40.437 -8.091 -16.312 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.447 -7.475 -16.605 1.00 0.00 O ATOM 528 OD2 ASP A 33 -39.837 -8.824 -17.081 1.00 0.00 O ATOM 0 H ASP A 33 -37.547 -7.529 -15.405 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.937 -5.770 -15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -39.116 -8.685 -14.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.679 -8.108 -14.164 1.00 0.00 H new ATOM 533 N SER A 34 -38.102 -6.532 -12.610 1.00 0.00 N ATOM 534 CA SER A 34 -37.926 -6.221 -11.160 1.00 0.00 C ATOM 535 C SER A 34 -37.180 -4.894 -10.988 1.00 0.00 C ATOM 536 O SER A 34 -36.980 -4.158 -11.936 1.00 0.00 O ATOM 537 CB SER A 34 -37.095 -7.378 -10.606 1.00 0.00 C ATOM 538 OG SER A 34 -37.956 -8.462 -10.285 1.00 0.00 O ATOM 0 H SER A 34 -37.321 -7.024 -13.044 1.00 0.00 H new ATOM 0 HA SER A 34 -38.879 -6.118 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.353 -7.693 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.549 -7.057 -9.719 1.00 0.00 H new ATOM 0 HG SER A 34 -37.426 -9.207 -9.931 1.00 0.00 H new ATOM 544 N SER A 35 -36.770 -4.589 -9.784 1.00 0.00 N ATOM 545 CA SER A 35 -36.036 -3.316 -9.534 1.00 0.00 C ATOM 546 C SER A 35 -34.949 -3.536 -8.477 1.00 0.00 C ATOM 547 O SER A 35 -34.757 -4.639 -7.998 1.00 0.00 O ATOM 548 CB SER A 35 -37.094 -2.340 -9.023 1.00 0.00 C ATOM 549 OG SER A 35 -36.548 -1.028 -8.996 1.00 0.00 O ATOM 0 H SER A 35 -36.914 -5.172 -8.959 1.00 0.00 H new ATOM 0 HA SER A 35 -35.539 -2.941 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.973 -2.368 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.422 -2.631 -8.025 1.00 0.00 H new ATOM 0 HG SER A 35 -37.225 -0.399 -8.670 1.00 0.00 H new ATOM 555 N VAL A 36 -34.239 -2.497 -8.114 1.00 0.00 N ATOM 556 CA VAL A 36 -33.161 -2.646 -7.089 1.00 0.00 C ATOM 557 C VAL A 36 -32.680 -1.268 -6.607 1.00 0.00 C ATOM 558 O VAL A 36 -31.933 -0.586 -7.282 1.00 0.00 O ATOM 559 CB VAL A 36 -32.036 -3.414 -7.800 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.551 -2.633 -9.026 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.865 -3.622 -6.835 1.00 0.00 C ATOM 0 H VAL A 36 -34.359 -1.554 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.506 -3.174 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.422 -4.381 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.754 -3.189 -9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.380 -2.494 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.174 -1.660 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.068 -4.167 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.489 -2.654 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.203 -4.194 -5.971 1.00 0.00 H new ATOM 571 N ASN A 37 -33.100 -0.865 -5.433 1.00 0.00 N ATOM 572 CA ASN A 37 -32.665 0.457 -4.889 1.00 0.00 C ATOM 573 C ASN A 37 -31.274 0.318 -4.269 1.00 0.00 C ATOM 574 O ASN A 37 -30.587 -0.661 -4.499 1.00 0.00 O ATOM 575 CB ASN A 37 -33.700 0.810 -3.820 1.00 0.00 C ATOM 576 CG ASN A 37 -33.877 2.328 -3.759 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.300 2.941 -4.718 1.00 0.00 O ATOM 578 ND2 ASN A 37 -33.568 2.964 -2.662 1.00 0.00 N ATOM 0 H ASN A 37 -33.726 -1.396 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.605 1.229 -5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.652 0.332 -4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.379 0.432 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -33.682 3.976 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -33.213 2.449 -1.857 1.00 0.00 H new ATOM 585 N PHE A 38 -30.851 1.278 -3.482 1.00 0.00 N ATOM 586 CA PHE A 38 -29.500 1.177 -2.852 1.00 0.00 C ATOM 587 C PHE A 38 -29.582 0.350 -1.573 1.00 0.00 C ATOM 588 O PHE A 38 -28.826 -0.570 -1.389 1.00 0.00 O ATOM 589 CB PHE A 38 -29.062 2.605 -2.524 1.00 0.00 C ATOM 590 CG PHE A 38 -29.066 3.443 -3.781 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.994 3.358 -4.676 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.139 4.300 -4.052 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.992 4.131 -5.842 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.138 5.073 -5.219 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.065 4.987 -6.114 1.00 0.00 C ATOM 0 H PHE A 38 -31.379 2.120 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.789 0.691 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.733 3.040 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.065 2.597 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.167 2.695 -4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.967 4.365 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.163 4.067 -6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.965 5.736 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.065 5.582 -7.015 1.00 0.00 H new ATOM 605 N ALA A 39 -30.485 0.676 -0.685 1.00 0.00 N ATOM 606 CA ALA A 39 -30.592 -0.101 0.589 1.00 0.00 C ATOM 607 C ALA A 39 -31.132 -1.502 0.323 1.00 0.00 C ATOM 608 O ALA A 39 -30.659 -2.466 0.893 1.00 0.00 O ATOM 609 CB ALA A 39 -31.551 0.694 1.477 1.00 0.00 C ATOM 0 H ALA A 39 -31.151 1.442 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.620 -0.230 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.675 0.180 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.144 1.690 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.518 0.780 0.982 1.00 0.00 H new ATOM 615 N GLU A 40 -32.102 -1.628 -0.539 1.00 0.00 N ATOM 616 CA GLU A 40 -32.653 -2.983 -0.840 1.00 0.00 C ATOM 617 C GLU A 40 -31.566 -3.870 -1.463 1.00 0.00 C ATOM 618 O GLU A 40 -31.701 -5.078 -1.509 1.00 0.00 O ATOM 619 CB GLU A 40 -33.795 -2.749 -1.830 1.00 0.00 C ATOM 620 CG GLU A 40 -34.944 -2.027 -1.124 1.00 0.00 C ATOM 621 CD GLU A 40 -35.662 -3.002 -0.189 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.471 -3.774 -0.677 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.391 -2.960 1.000 1.00 0.00 O ATOM 0 H GLU A 40 -32.536 -0.857 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.002 -3.492 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.443 -2.156 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.142 -3.701 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.561 -1.179 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.644 -1.629 -1.859 1.00 0.00 H new ATOM 630 N PHE A 41 -30.492 -3.284 -1.945 1.00 0.00 N ATOM 631 CA PHE A 41 -29.408 -4.101 -2.562 1.00 0.00 C ATOM 632 C PHE A 41 -28.123 -4.013 -1.735 1.00 0.00 C ATOM 633 O PHE A 41 -27.479 -5.009 -1.463 1.00 0.00 O ATOM 634 CB PHE A 41 -29.205 -3.499 -3.954 1.00 0.00 C ATOM 635 CG PHE A 41 -28.299 -4.393 -4.766 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.621 -5.743 -4.944 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.136 -3.869 -5.343 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.782 -6.569 -5.699 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.296 -4.694 -6.098 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.618 -6.045 -6.277 1.00 0.00 C ATOM 0 H PHE A 41 -30.325 -2.278 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.668 -5.159 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.166 -3.386 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.770 -2.503 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.518 -6.147 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.887 -2.827 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.031 -7.611 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.399 -4.289 -6.543 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.970 -6.682 -6.860 1.00 0.00 H new ATOM 650 N SER A 42 -27.754 -2.830 -1.325 1.00 0.00 N ATOM 651 CA SER A 42 -26.515 -2.653 -0.500 1.00 0.00 C ATOM 652 C SER A 42 -26.590 -3.529 0.758 1.00 0.00 C ATOM 653 O SER A 42 -25.580 -3.889 1.334 1.00 0.00 O ATOM 654 CB SER A 42 -26.494 -1.168 -0.129 1.00 0.00 C ATOM 655 OG SER A 42 -27.534 -0.901 0.801 1.00 0.00 O ATOM 0 H SER A 42 -28.260 -1.968 -1.526 1.00 0.00 H new ATOM 0 HA SER A 42 -25.613 -2.948 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.529 -0.903 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.623 -0.557 -1.022 1.00 0.00 H new ATOM 0 HG SER A 42 -27.573 0.062 0.980 1.00 0.00 H new ATOM 661 N LYS A 43 -27.782 -3.884 1.176 1.00 0.00 N ATOM 662 CA LYS A 43 -27.934 -4.747 2.383 1.00 0.00 C ATOM 663 C LYS A 43 -27.544 -6.187 2.038 1.00 0.00 C ATOM 664 O LYS A 43 -27.059 -6.926 2.873 1.00 0.00 O ATOM 665 CB LYS A 43 -29.420 -4.669 2.746 1.00 0.00 C ATOM 666 CG LYS A 43 -29.616 -3.687 3.903 1.00 0.00 C ATOM 667 CD LYS A 43 -31.107 -3.571 4.228 1.00 0.00 C ATOM 668 CE LYS A 43 -31.571 -4.833 4.959 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.147 -4.636 6.373 1.00 0.00 N ATOM 0 H LYS A 43 -28.657 -3.610 0.729 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.299 -4.425 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -29.999 -4.347 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.788 -5.656 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.067 -4.029 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.214 -2.710 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.288 -2.692 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.681 -3.438 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.651 -4.958 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.117 -5.727 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -30.681 -5.499 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -30.483 -3.838 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -31.981 -4.434 6.961 1.00 0.00 H new ATOM 683 N LYS A 44 -27.755 -6.584 0.808 1.00 0.00 N ATOM 684 CA LYS A 44 -27.403 -7.972 0.389 1.00 0.00 C ATOM 685 C LYS A 44 -25.959 -8.019 -0.118 1.00 0.00 C ATOM 686 O LYS A 44 -25.269 -9.009 0.043 1.00 0.00 O ATOM 687 CB LYS A 44 -28.378 -8.304 -0.739 1.00 0.00 C ATOM 688 CG LYS A 44 -28.513 -9.823 -0.870 1.00 0.00 C ATOM 689 CD LYS A 44 -27.428 -10.353 -1.810 1.00 0.00 C ATOM 690 CE LYS A 44 -27.927 -11.623 -2.501 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.852 -11.981 -3.468 1.00 0.00 N ATOM 0 H LYS A 44 -28.158 -6.002 0.074 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.475 -8.684 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.352 -7.858 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.023 -7.878 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.422 -10.293 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.500 -10.079 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.175 -9.597 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.518 -10.565 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.094 -12.425 -1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.875 -11.449 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.121 -12.844 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.720 -11.202 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.964 -12.147 -2.954 1.00 0.00 H new ATOM 705 N CYS A 45 -25.498 -6.956 -0.729 1.00 0.00 N ATOM 706 CA CYS A 45 -24.095 -6.934 -1.248 1.00 0.00 C ATOM 707 C CYS A 45 -23.106 -7.108 -0.092 1.00 0.00 C ATOM 708 O CYS A 45 -22.025 -7.640 -0.265 1.00 0.00 O ATOM 709 CB CYS A 45 -23.921 -5.561 -1.904 1.00 0.00 C ATOM 710 SG CYS A 45 -24.535 -5.625 -3.605 1.00 0.00 S ATOM 0 H CYS A 45 -26.032 -6.102 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.908 -7.741 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.464 -4.804 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.870 -5.272 -1.896 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.452 -4.718 -3.770 1.00 0.00 H new ATOM 716 N SER A 46 -23.473 -6.668 1.086 1.00 0.00 N ATOM 717 CA SER A 46 -22.560 -6.811 2.262 1.00 0.00 C ATOM 718 C SER A 46 -22.368 -8.292 2.594 1.00 0.00 C ATOM 719 O SER A 46 -21.303 -8.710 3.008 1.00 0.00 O ATOM 720 CB SER A 46 -23.265 -6.090 3.412 1.00 0.00 C ATOM 721 OG SER A 46 -24.518 -6.714 3.660 1.00 0.00 O ATOM 0 H SER A 46 -24.366 -6.216 1.284 1.00 0.00 H new ATOM 0 HA SER A 46 -21.572 -6.392 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.647 -6.121 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.412 -5.039 3.162 1.00 0.00 H new ATOM 0 HG SER A 46 -25.198 -6.329 3.068 1.00 0.00 H new ATOM 727 N GLU A 47 -23.392 -9.086 2.409 1.00 0.00 N ATOM 728 CA GLU A 47 -23.277 -10.547 2.708 1.00 0.00 C ATOM 729 C GLU A 47 -22.238 -11.189 1.785 1.00 0.00 C ATOM 730 O GLU A 47 -21.594 -12.158 2.140 1.00 0.00 O ATOM 731 CB GLU A 47 -24.665 -11.128 2.436 1.00 0.00 C ATOM 732 CG GLU A 47 -25.565 -10.889 3.649 1.00 0.00 C ATOM 733 CD GLU A 47 -25.048 -11.703 4.836 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.139 -12.918 4.780 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.572 -11.098 5.782 1.00 0.00 O ATOM 0 H GLU A 47 -24.304 -8.786 2.064 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.957 -10.733 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.099 -10.663 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.590 -12.196 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.580 -9.829 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.590 -11.176 3.417 1.00 0.00 H new ATOM 742 N ARG A 48 -22.070 -10.651 0.603 1.00 0.00 N ATOM 743 CA ARG A 48 -21.073 -11.219 -0.352 1.00 0.00 C ATOM 744 C ARG A 48 -19.742 -10.473 -0.228 1.00 0.00 C ATOM 745 O ARG A 48 -18.682 -11.044 -0.405 1.00 0.00 O ATOM 746 CB ARG A 48 -21.684 -10.998 -1.737 1.00 0.00 C ATOM 747 CG ARG A 48 -21.059 -11.978 -2.732 1.00 0.00 C ATOM 748 CD ARG A 48 -21.708 -11.795 -4.105 1.00 0.00 C ATOM 749 NE ARG A 48 -21.310 -13.002 -4.882 1.00 0.00 N ATOM 750 CZ ARG A 48 -22.155 -13.555 -5.707 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.995 -14.455 -5.275 1.00 0.00 N ATOM 752 NH2 ARG A 48 -22.163 -13.206 -6.965 1.00 0.00 N ATOM 0 H ARG A 48 -22.583 -9.840 0.258 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.867 -12.272 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.764 -11.142 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.511 -9.972 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.985 -11.808 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.198 -13.002 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.792 -11.718 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.360 -10.882 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.376 -13.396 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.991 -14.726 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.656 -14.887 -5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.508 -12.501 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.824 -13.639 -7.610 1.00 0.00 H new ATOM 766 N TRP A 49 -19.794 -9.202 0.076 1.00 0.00 N ATOM 767 CA TRP A 49 -18.534 -8.405 0.216 1.00 0.00 C ATOM 768 C TRP A 49 -17.745 -8.875 1.443 1.00 0.00 C ATOM 769 O TRP A 49 -16.534 -8.993 1.404 1.00 0.00 O ATOM 770 CB TRP A 49 -19.000 -6.954 0.393 1.00 0.00 C ATOM 771 CG TRP A 49 -17.813 -6.050 0.530 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.506 -5.337 1.638 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.775 -5.753 -0.449 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.346 -4.622 1.402 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.857 -4.845 0.130 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.543 -6.180 -1.769 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.749 -4.376 -0.575 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.428 -5.709 -2.482 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.533 -4.809 -1.886 1.00 0.00 C ATOM 0 H TRP A 49 -20.655 -8.679 0.234 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.874 -8.517 -0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.603 -6.650 -0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.634 -6.872 1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.074 -5.328 2.557 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.905 -4.005 2.084 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.226 -6.874 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.063 -3.683 -0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.259 -6.042 -3.495 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.678 -4.451 -2.440 1.00 0.00 H new ATOM 790 N LYS A 50 -18.423 -9.139 2.531 1.00 0.00 N ATOM 791 CA LYS A 50 -17.717 -9.598 3.767 1.00 0.00 C ATOM 792 C LYS A 50 -17.313 -11.070 3.640 1.00 0.00 C ATOM 793 O LYS A 50 -16.362 -11.513 4.256 1.00 0.00 O ATOM 794 CB LYS A 50 -18.734 -9.415 4.899 1.00 0.00 C ATOM 795 CG LYS A 50 -18.406 -8.143 5.685 1.00 0.00 C ATOM 796 CD LYS A 50 -19.675 -7.617 6.360 1.00 0.00 C ATOM 797 CE LYS A 50 -19.301 -6.892 7.655 1.00 0.00 C ATOM 798 NZ LYS A 50 -19.121 -7.974 8.662 1.00 0.00 N ATOM 0 H LYS A 50 -19.436 -9.057 2.617 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.801 -9.036 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.742 -9.351 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.714 -10.280 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.643 -8.353 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.996 -7.386 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.202 -6.938 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.354 -8.442 6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.387 -6.311 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.083 -6.196 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.293 -7.762 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.969 -8.036 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.975 -8.881 8.175 1.00 0.00 H new ATOM 812 N THR A 51 -18.027 -11.828 2.847 1.00 0.00 N ATOM 813 CA THR A 51 -17.687 -13.274 2.678 1.00 0.00 C ATOM 814 C THR A 51 -16.727 -13.469 1.498 1.00 0.00 C ATOM 815 O THR A 51 -16.016 -14.455 1.428 1.00 0.00 O ATOM 816 CB THR A 51 -19.022 -13.967 2.401 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.622 -13.391 1.250 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.948 -13.793 3.606 1.00 0.00 C ATOM 0 H THR A 51 -18.832 -11.508 2.308 1.00 0.00 H new ATOM 0 HA THR A 51 -17.189 -13.681 3.558 1.00 0.00 H new ATOM 0 HB THR A 51 -18.853 -15.030 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.581 -13.266 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.899 -14.287 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.485 -14.237 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.120 -12.731 3.782 1.00 0.00 H new ATOM 826 N MET A 52 -16.699 -12.540 0.571 1.00 0.00 N ATOM 827 CA MET A 52 -15.783 -12.675 -0.607 1.00 0.00 C ATOM 828 C MET A 52 -14.328 -12.800 -0.141 1.00 0.00 C ATOM 829 O MET A 52 -14.018 -12.580 1.015 1.00 0.00 O ATOM 830 CB MET A 52 -15.975 -11.391 -1.418 1.00 0.00 C ATOM 831 CG MET A 52 -17.020 -11.628 -2.510 1.00 0.00 C ATOM 832 SD MET A 52 -17.715 -10.041 -3.035 1.00 0.00 S ATOM 833 CE MET A 52 -16.330 -9.519 -4.075 1.00 0.00 C ATOM 0 H MET A 52 -17.270 -11.695 0.579 1.00 0.00 H new ATOM 0 HA MET A 52 -16.006 -13.565 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.295 -10.580 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 52 -15.029 -11.086 -1.865 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.565 -12.137 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.811 -12.278 -2.136 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.242 -8.433 -4.046 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.408 -9.967 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.504 -9.842 -5.101 1.00 0.00 H new ATOM 843 N SER A 53 -13.439 -13.156 -1.033 1.00 0.00 N ATOM 844 CA SER A 53 -12.002 -13.303 -0.648 1.00 0.00 C ATOM 845 C SER A 53 -11.177 -12.142 -1.214 1.00 0.00 C ATOM 846 O SER A 53 -11.707 -11.233 -1.824 1.00 0.00 O ATOM 847 CB SER A 53 -11.560 -14.626 -1.271 1.00 0.00 C ATOM 848 OG SER A 53 -12.152 -15.702 -0.555 1.00 0.00 O ATOM 0 H SER A 53 -13.646 -13.351 -2.012 1.00 0.00 H new ATOM 0 HA SER A 53 -11.862 -13.292 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.856 -14.665 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.474 -14.709 -1.243 1.00 0.00 H new ATOM 0 HG SER A 53 -11.872 -16.553 -0.953 1.00 0.00 H new ATOM 854 N ALA A 54 -9.885 -12.172 -1.011 1.00 0.00 N ATOM 855 CA ALA A 54 -9.011 -11.076 -1.532 1.00 0.00 C ATOM 856 C ALA A 54 -8.893 -11.157 -3.059 1.00 0.00 C ATOM 857 O ALA A 54 -8.572 -10.180 -3.712 1.00 0.00 O ATOM 858 CB ALA A 54 -7.647 -11.307 -0.879 1.00 0.00 C ATOM 0 H ALA A 54 -9.395 -12.910 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.415 -10.091 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.949 -10.540 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.749 -11.257 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.270 -12.289 -1.163 1.00 0.00 H new ATOM 864 N LYS A 55 -9.153 -12.307 -3.634 1.00 0.00 N ATOM 865 CA LYS A 55 -9.057 -12.442 -5.121 1.00 0.00 C ATOM 866 C LYS A 55 -10.160 -11.619 -5.788 1.00 0.00 C ATOM 867 O LYS A 55 -9.998 -11.119 -6.885 1.00 0.00 O ATOM 868 CB LYS A 55 -9.252 -13.933 -5.406 1.00 0.00 C ATOM 869 CG LYS A 55 -7.950 -14.683 -5.116 1.00 0.00 C ATOM 870 CD LYS A 55 -7.992 -16.056 -5.789 1.00 0.00 C ATOM 871 CE LYS A 55 -8.906 -16.988 -4.989 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.867 -18.285 -5.721 1.00 0.00 N ATOM 0 H LYS A 55 -9.427 -13.156 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.104 -12.081 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.058 -14.330 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.545 -14.080 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.098 -14.111 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.815 -14.797 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.357 -15.961 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.988 -16.476 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.554 -17.102 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.921 -16.595 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.470 -18.977 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.214 -18.146 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.889 -18.638 -5.750 1.00 0.00 H new ATOM 886 N GLU A 56 -11.277 -11.476 -5.125 1.00 0.00 N ATOM 887 CA GLU A 56 -12.403 -10.687 -5.702 1.00 0.00 C ATOM 888 C GLU A 56 -12.414 -9.281 -5.098 1.00 0.00 C ATOM 889 O GLU A 56 -12.616 -8.300 -5.790 1.00 0.00 O ATOM 890 CB GLU A 56 -13.660 -11.455 -5.301 1.00 0.00 C ATOM 891 CG GLU A 56 -13.854 -12.640 -6.247 1.00 0.00 C ATOM 892 CD GLU A 56 -15.288 -13.158 -6.133 1.00 0.00 C ATOM 893 OE1 GLU A 56 -16.173 -12.517 -6.675 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.477 -14.186 -5.504 1.00 0.00 O ATOM 0 H GLU A 56 -11.458 -11.874 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.325 -10.570 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.572 -11.807 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.529 -10.798 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.647 -12.337 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.149 -13.434 -6.001 1.00 0.00 H new ATOM 901 N LYS A 57 -12.195 -9.182 -3.813 1.00 0.00 N ATOM 902 CA LYS A 57 -12.184 -7.842 -3.149 1.00 0.00 C ATOM 903 C LYS A 57 -11.011 -6.998 -3.663 1.00 0.00 C ATOM 904 O LYS A 57 -11.024 -5.784 -3.564 1.00 0.00 O ATOM 905 CB LYS A 57 -12.016 -8.134 -1.656 1.00 0.00 C ATOM 906 CG LYS A 57 -13.391 -8.348 -1.019 1.00 0.00 C ATOM 907 CD LYS A 57 -13.231 -9.111 0.298 1.00 0.00 C ATOM 908 CE LYS A 57 -12.771 -8.148 1.394 1.00 0.00 C ATOM 909 NZ LYS A 57 -14.019 -7.502 1.886 1.00 0.00 N ATOM 0 H LYS A 57 -12.023 -9.973 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.094 -7.279 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.397 -9.020 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.503 -7.305 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.873 -7.387 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.035 -8.906 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.177 -9.574 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.506 -9.916 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.258 -8.679 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.072 -7.409 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.983 -7.421 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.108 -6.554 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.840 -8.079 1.613 1.00 0.00 H new ATOM 923 N SER A 58 -9.997 -7.627 -4.208 1.00 0.00 N ATOM 924 CA SER A 58 -8.822 -6.859 -4.724 1.00 0.00 C ATOM 925 C SER A 58 -9.213 -6.063 -5.973 1.00 0.00 C ATOM 926 O SER A 58 -8.675 -5.003 -6.235 1.00 0.00 O ATOM 927 CB SER A 58 -7.771 -7.914 -5.072 1.00 0.00 C ATOM 928 OG SER A 58 -8.371 -8.934 -5.859 1.00 0.00 O ATOM 0 H SER A 58 -9.933 -8.639 -4.317 1.00 0.00 H new ATOM 0 HA SER A 58 -8.451 -6.142 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.946 -7.456 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.352 -8.341 -4.161 1.00 0.00 H new ATOM 0 HG SER A 58 -8.311 -9.790 -5.386 1.00 0.00 H new ATOM 934 N LYS A 59 -10.143 -6.566 -6.743 1.00 0.00 N ATOM 935 CA LYS A 59 -10.572 -5.841 -7.979 1.00 0.00 C ATOM 936 C LYS A 59 -11.292 -4.541 -7.607 1.00 0.00 C ATOM 937 O LYS A 59 -11.269 -3.577 -8.349 1.00 0.00 O ATOM 938 CB LYS A 59 -11.530 -6.795 -8.697 1.00 0.00 C ATOM 939 CG LYS A 59 -11.878 -6.227 -10.074 1.00 0.00 C ATOM 940 CD LYS A 59 -13.107 -6.950 -10.630 1.00 0.00 C ATOM 941 CE LYS A 59 -13.726 -6.113 -11.752 1.00 0.00 C ATOM 942 NZ LYS A 59 -14.539 -5.076 -11.056 1.00 0.00 N ATOM 0 H LYS A 59 -10.625 -7.448 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.724 -5.569 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.070 -7.778 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.437 -6.929 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.075 -5.158 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.034 -6.348 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.824 -7.932 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.837 -7.112 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.956 -5.658 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.345 -6.726 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.550 -5.297 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.293 -5.063 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.342 -4.144 -11.472 1.00 0.00 H new ATOM 956 N PHE A 60 -11.929 -4.513 -6.464 1.00 0.00 N ATOM 957 CA PHE A 60 -12.653 -3.280 -6.034 1.00 0.00 C ATOM 958 C PHE A 60 -11.722 -2.368 -5.230 1.00 0.00 C ATOM 959 O PHE A 60 -11.882 -1.162 -5.215 1.00 0.00 O ATOM 960 CB PHE A 60 -13.801 -3.782 -5.158 1.00 0.00 C ATOM 961 CG PHE A 60 -14.817 -4.496 -6.017 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.782 -3.761 -6.717 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.794 -5.892 -6.114 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.723 -4.424 -7.514 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.735 -6.554 -6.910 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.700 -5.820 -7.610 1.00 0.00 C ATOM 0 H PHE A 60 -11.979 -5.293 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.011 -2.696 -6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.419 -4.456 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.270 -2.945 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.800 -2.684 -6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.050 -6.458 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.467 -3.858 -8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.717 -7.631 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.427 -6.331 -8.224 1.00 0.00 H new ATOM 976 N GLU A 61 -10.752 -2.939 -4.562 1.00 0.00 N ATOM 977 CA GLU A 61 -9.802 -2.111 -3.755 1.00 0.00 C ATOM 978 C GLU A 61 -8.814 -1.388 -4.674 1.00 0.00 C ATOM 979 O GLU A 61 -8.317 -0.326 -4.350 1.00 0.00 O ATOM 980 CB GLU A 61 -9.066 -3.107 -2.855 1.00 0.00 C ATOM 981 CG GLU A 61 -9.947 -3.457 -1.654 1.00 0.00 C ATOM 982 CD GLU A 61 -9.890 -2.322 -0.630 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.791 -1.926 -0.276 1.00 0.00 O ATOM 984 OE2 GLU A 61 -10.944 -1.870 -0.217 1.00 0.00 O ATOM 0 H GLU A 61 -10.576 -3.943 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.317 -1.344 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.822 -4.009 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.123 -2.679 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.975 -3.617 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.608 -4.388 -1.200 1.00 0.00 H new ATOM 991 N ASP A 62 -8.529 -1.957 -5.818 1.00 0.00 N ATOM 992 CA ASP A 62 -7.574 -1.307 -6.767 1.00 0.00 C ATOM 993 C ASP A 62 -8.260 -0.156 -7.507 1.00 0.00 C ATOM 994 O ASP A 62 -7.622 0.796 -7.916 1.00 0.00 O ATOM 995 CB ASP A 62 -7.170 -2.411 -7.747 1.00 0.00 C ATOM 996 CG ASP A 62 -5.868 -2.021 -8.448 1.00 0.00 C ATOM 997 OD1 ASP A 62 -5.906 -1.121 -9.269 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.854 -2.632 -8.152 1.00 0.00 O ATOM 0 H ASP A 62 -8.917 -2.845 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.711 -0.883 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.041 -3.354 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.959 -2.565 -8.483 1.00 0.00 H new ATOM 1003 N MET A 63 -9.556 -0.239 -7.681 1.00 0.00 N ATOM 1004 CA MET A 63 -10.291 0.849 -8.395 1.00 0.00 C ATOM 1005 C MET A 63 -10.463 2.063 -7.477 1.00 0.00 C ATOM 1006 O MET A 63 -10.524 3.190 -7.931 1.00 0.00 O ATOM 1007 CB MET A 63 -11.652 0.249 -8.749 1.00 0.00 C ATOM 1008 CG MET A 63 -11.512 -0.648 -9.981 1.00 0.00 C ATOM 1009 SD MET A 63 -11.328 0.383 -11.458 1.00 0.00 S ATOM 1010 CE MET A 63 -9.898 -0.476 -12.157 1.00 0.00 C ATOM 0 H MET A 63 -10.136 -1.014 -7.359 1.00 0.00 H new ATOM 0 HA MET A 63 -9.756 1.192 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.036 -0.328 -7.908 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.371 1.044 -8.945 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.648 -1.303 -9.871 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.388 -1.290 -10.079 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.608 0.002 -13.092 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.067 -0.431 -11.453 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.157 -1.518 -12.347 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.543 1.836 -6.190 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.712 2.971 -5.233 1.00 0.00 C ATOM 1022 C ALA A 64 -9.355 3.610 -4.926 1.00 0.00 C ATOM 1023 O ALA A 64 -9.252 4.809 -4.744 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.307 2.342 -3.972 1.00 0.00 C ATOM 0 H ALA A 64 -10.498 0.912 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.350 3.758 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.461 3.114 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.262 1.875 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.622 1.588 -3.584 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.316 2.816 -4.869 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.959 3.370 -4.575 1.00 0.00 C ATOM 1032 C LYS A 65 -6.462 4.208 -5.757 1.00 0.00 C ATOM 1033 O LYS A 65 -5.696 5.139 -5.590 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.060 2.149 -4.369 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.833 2.550 -3.547 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.727 3.036 -4.486 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.366 2.852 -3.810 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.239 4.010 -2.883 1.00 0.00 N ATOM 0 H LYS A 65 -8.349 1.807 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.963 4.021 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.612 1.360 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.749 1.746 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.097 3.337 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.481 1.701 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.759 2.478 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.882 4.086 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.318 1.906 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.559 2.842 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.330 3.955 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.282 4.896 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.017 3.989 -2.193 1.00 0.00 H new ATOM 1052 N SER A 66 -6.895 3.882 -6.948 1.00 0.00 N ATOM 1053 CA SER A 66 -6.452 4.656 -8.150 1.00 0.00 C ATOM 1054 C SER A 66 -6.918 6.111 -8.040 1.00 0.00 C ATOM 1055 O SER A 66 -6.174 7.031 -8.325 1.00 0.00 O ATOM 1056 CB SER A 66 -7.120 3.970 -9.342 1.00 0.00 C ATOM 1057 OG SER A 66 -6.587 4.501 -10.548 1.00 0.00 O ATOM 0 H SER A 66 -7.537 3.113 -7.142 1.00 0.00 H new ATOM 0 HA SER A 66 -5.367 4.673 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.951 2.894 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.198 4.125 -9.308 1.00 0.00 H new ATOM 0 HG SER A 66 -7.012 4.062 -11.314 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.143 6.321 -7.628 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.666 7.714 -7.496 1.00 0.00 C ATOM 1065 C ASP A 67 -8.163 8.347 -6.196 1.00 0.00 C ATOM 1066 O ASP A 67 -7.997 9.548 -6.105 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.188 7.567 -7.468 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.701 7.292 -8.882 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.349 6.260 -9.429 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.437 8.119 -9.396 1.00 0.00 O ATOM 0 H ASP A 67 -8.804 5.586 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.335 8.358 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.473 6.753 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.644 8.475 -7.075 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.922 7.543 -5.191 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.428 8.091 -3.889 1.00 0.00 C ATOM 1077 C LYS A 68 -6.066 8.765 -4.080 1.00 0.00 C ATOM 1078 O LYS A 68 -5.711 9.677 -3.357 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.299 6.879 -2.963 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.534 7.313 -1.516 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.735 6.409 -0.575 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.134 6.700 0.874 1.00 0.00 C ATOM 1083 NZ LYS A 68 -8.369 5.897 1.100 1.00 0.00 N ATOM 0 H LYS A 68 -8.046 6.531 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.102 8.844 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.022 6.114 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.309 6.435 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.232 8.352 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.596 7.257 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.924 5.362 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.667 6.579 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.343 6.412 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.320 7.763 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.045 6.451 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.798 5.655 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.127 5.024 1.610 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.304 8.320 -5.047 1.00 0.00 N ATOM 1098 CA ALA A 69 -3.961 8.930 -5.291 1.00 0.00 C ATOM 1099 C ALA A 69 -4.102 10.211 -6.117 1.00 0.00 C ATOM 1100 O ALA A 69 -3.296 11.117 -6.013 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.181 7.872 -6.072 1.00 0.00 C ATOM 0 H ALA A 69 -5.554 7.560 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.459 9.205 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.180 8.245 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.107 6.962 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.699 7.654 -7.006 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.121 10.293 -6.935 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.320 11.517 -7.772 1.00 0.00 C ATOM 1109 C ARG A 70 -5.702 12.707 -6.887 1.00 0.00 C ATOM 1110 O ARG A 70 -5.419 13.846 -7.210 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.464 11.172 -8.728 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.546 12.230 -9.830 1.00 0.00 C ATOM 1113 CD ARG A 70 -7.442 11.722 -10.962 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.636 10.675 -11.648 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.814 11.007 -12.605 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -6.269 11.568 -13.691 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.536 10.780 -12.475 1.00 0.00 N ATOM 0 H ARG A 70 -5.825 9.565 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.414 11.796 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.301 10.187 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.407 11.126 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.945 13.160 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.549 12.450 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.374 11.312 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.708 12.527 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.727 9.698 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.268 11.747 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.626 11.827 -14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.180 10.343 -11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.893 11.040 -13.223 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.342 12.449 -5.775 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.747 13.561 -4.862 1.00 0.00 C ATOM 1133 C TYR A 71 -5.511 14.180 -4.203 1.00 0.00 C ATOM 1134 O TYR A 71 -5.501 15.349 -3.861 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.647 12.911 -3.807 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.370 13.985 -3.032 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -7.786 14.534 -1.885 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.627 14.431 -3.459 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.456 15.530 -1.165 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.298 15.427 -2.739 1.00 0.00 C ATOM 1141 CZ TYR A 71 -9.712 15.976 -1.592 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.374 16.958 -0.883 1.00 0.00 O ATOM 0 H TYR A 71 -6.602 11.515 -5.459 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.261 14.361 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.366 12.247 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.050 12.299 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.817 14.189 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.079 14.007 -4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.004 15.954 -0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.267 15.772 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.232 17.152 -1.315 1.00 0.00 H new