USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=25 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 23 SER OG : rot 88:sc= 1.13 USER MOD Set 1.2: A 45 CYS SG : rot 136:sc= -0.105 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -2.66 F(o=-16!,f=-15) USER MOD Set 2.2: A 31 HIS :FLIP no HE2:sc= -12.4! C(o=-15!,f=-15!) USER MOD Set 3.1: A 14 SER OG : rot 180:sc= -0.518 USER MOD Set 3.2: A 15 SER OG : rot 180:sc=-0.00714 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.932 X(o=-0.93,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0523) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00465) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -62:sc= 0.928 USER MOD Single : A 37 ASN : amide:sc= 1.08 K(o=1.1,f=-0.8) USER MOD Single : A 42 SER OG : rot -68:sc= -1.2! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0362) USER MOD Single : A 46 SER OG : rot -34:sc= -0.0992 USER MOD Single : A 50 LYS NZ :NH3+ -109:sc= -0.204 (180deg=-0.681) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0.823 USER MOD Single : A 52 MET CE :methyl -167:sc= -0.503 (180deg=-0.851) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0206) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -130:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.309) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= -0.126 (180deg=-0.275) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.865 10.822 -5.275 1.00 0.00 N ATOM 164 CA LYS A 12 -13.121 9.530 -5.198 1.00 0.00 C ATOM 165 C LYS A 12 -14.103 8.360 -5.107 1.00 0.00 C ATOM 166 O LYS A 12 -15.304 8.540 -5.176 1.00 0.00 O ATOM 167 CB LYS A 12 -12.284 9.627 -3.922 1.00 0.00 C ATOM 168 CG LYS A 12 -11.180 10.669 -4.113 1.00 0.00 C ATOM 169 CD LYS A 12 -10.524 10.971 -2.764 1.00 0.00 C ATOM 170 CE LYS A 12 -11.353 12.019 -2.017 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.710 12.134 -0.678 1.00 0.00 N ATOM 0 HA LYS A 12 -12.502 9.358 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.917 9.903 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.846 8.657 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.435 10.300 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.597 11.582 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.451 10.059 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.508 11.336 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.347 12.975 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.395 11.710 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.222 12.835 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.737 11.211 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.722 12.436 -0.792 1.00 0.00 H new ATOM 185 N MET A 13 -13.597 7.162 -4.952 1.00 0.00 N ATOM 186 CA MET A 13 -14.492 5.971 -4.854 1.00 0.00 C ATOM 187 C MET A 13 -13.809 4.863 -4.050 1.00 0.00 C ATOM 188 O MET A 13 -12.764 4.365 -4.428 1.00 0.00 O ATOM 189 CB MET A 13 -14.720 5.526 -6.299 1.00 0.00 C ATOM 190 CG MET A 13 -15.741 6.450 -6.964 1.00 0.00 C ATOM 191 SD MET A 13 -16.277 5.727 -8.534 1.00 0.00 S ATOM 192 CE MET A 13 -17.129 7.189 -9.176 1.00 0.00 C ATOM 0 H MET A 13 -12.600 6.958 -4.889 1.00 0.00 H new ATOM 0 HA MET A 13 -15.430 6.198 -4.347 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.780 5.549 -6.850 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.077 4.496 -6.321 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.598 6.595 -6.307 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.301 7.432 -7.135 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.546 6.965 -10.158 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.933 7.470 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.422 8.014 -9.262 1.00 0.00 H new ATOM 202 N SER A 14 -14.392 4.475 -2.946 1.00 0.00 N ATOM 203 CA SER A 14 -13.782 3.398 -2.108 1.00 0.00 C ATOM 204 C SER A 14 -14.072 2.025 -2.724 1.00 0.00 C ATOM 205 O SER A 14 -14.715 1.921 -3.750 1.00 0.00 O ATOM 206 CB SER A 14 -14.455 3.525 -0.741 1.00 0.00 C ATOM 207 OG SER A 14 -14.206 2.349 0.016 1.00 0.00 O ATOM 0 H SER A 14 -15.267 4.858 -2.587 1.00 0.00 H new ATOM 0 HA SER A 14 -12.699 3.494 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.072 4.399 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.528 3.672 -0.863 1.00 0.00 H new ATOM 0 HG SER A 14 -14.635 2.428 0.894 1.00 0.00 H new ATOM 213 N SER A 15 -13.598 0.976 -2.100 1.00 0.00 N ATOM 214 CA SER A 15 -13.841 -0.396 -2.643 1.00 0.00 C ATOM 215 C SER A 15 -15.315 -0.775 -2.481 1.00 0.00 C ATOM 216 O SER A 15 -15.853 -1.547 -3.252 1.00 0.00 O ATOM 217 CB SER A 15 -12.956 -1.323 -1.807 1.00 0.00 C ATOM 218 OG SER A 15 -13.314 -1.204 -0.436 1.00 0.00 O ATOM 0 H SER A 15 -13.053 1.010 -1.238 1.00 0.00 H new ATOM 0 HA SER A 15 -13.608 -0.463 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.076 -2.355 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.906 -1.064 -1.944 1.00 0.00 H new ATOM 0 HG SER A 15 -12.750 -1.798 0.102 1.00 0.00 H new ATOM 224 N TYR A 16 -15.970 -0.235 -1.484 1.00 0.00 N ATOM 225 CA TYR A 16 -17.413 -0.560 -1.265 1.00 0.00 C ATOM 226 C TYR A 16 -18.276 0.135 -2.322 1.00 0.00 C ATOM 227 O TYR A 16 -19.304 -0.374 -2.726 1.00 0.00 O ATOM 228 CB TYR A 16 -17.739 -0.024 0.130 1.00 0.00 C ATOM 229 CG TYR A 16 -19.078 -0.561 0.575 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.152 -1.787 1.249 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.246 0.165 0.315 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.393 -2.285 1.661 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.488 -0.334 0.727 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.561 -1.559 1.400 1.00 0.00 C ATOM 235 OH TYR A 16 -22.785 -2.051 1.807 1.00 0.00 O ATOM 0 H TYR A 16 -15.567 0.418 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.610 -1.629 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.963 -0.321 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.758 1.066 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.251 -2.348 1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.189 1.111 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.450 -3.230 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.389 0.226 0.525 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.492 -1.424 1.548 1.00 0.00 H new ATOM 245 N ALA A 17 -17.862 1.294 -2.770 1.00 0.00 N ATOM 246 CA ALA A 17 -18.655 2.029 -3.804 1.00 0.00 C ATOM 247 C ALA A 17 -18.573 1.297 -5.146 1.00 0.00 C ATOM 248 O ALA A 17 -19.572 1.087 -5.810 1.00 0.00 O ATOM 249 CB ALA A 17 -18.004 3.409 -3.907 1.00 0.00 C ATOM 0 H ALA A 17 -17.009 1.763 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.710 2.099 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.534 4.007 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.052 3.907 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.962 3.298 -4.207 1.00 0.00 H new ATOM 255 N PHE A 18 -17.389 0.905 -5.544 1.00 0.00 N ATOM 256 CA PHE A 18 -17.233 0.181 -6.844 1.00 0.00 C ATOM 257 C PHE A 18 -18.000 -1.143 -6.804 1.00 0.00 C ATOM 258 O PHE A 18 -18.460 -1.634 -7.819 1.00 0.00 O ATOM 259 CB PHE A 18 -15.731 -0.074 -6.987 1.00 0.00 C ATOM 260 CG PHE A 18 -15.090 1.081 -7.719 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.390 1.308 -9.067 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.196 1.925 -7.049 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.797 2.378 -9.746 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.602 2.996 -7.729 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.903 3.222 -9.078 1.00 0.00 C ATOM 0 H PHE A 18 -16.523 1.055 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.627 0.754 -7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.276 -0.192 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.559 -1.003 -7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.080 0.657 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.965 1.750 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.029 2.553 -10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.912 3.647 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.445 4.048 -9.603 1.00 0.00 H new ATOM 275 N PHE A 19 -18.139 -1.722 -5.639 1.00 0.00 N ATOM 276 CA PHE A 19 -18.877 -3.018 -5.523 1.00 0.00 C ATOM 277 C PHE A 19 -20.330 -2.837 -5.970 1.00 0.00 C ATOM 278 O PHE A 19 -20.776 -3.455 -6.919 1.00 0.00 O ATOM 279 CB PHE A 19 -18.814 -3.388 -4.040 1.00 0.00 C ATOM 280 CG PHE A 19 -19.115 -4.858 -3.873 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.117 -5.809 -4.116 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.392 -5.269 -3.476 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.397 -7.172 -3.960 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.672 -6.631 -3.321 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.674 -7.583 -3.562 1.00 0.00 C ATOM 0 H PHE A 19 -17.773 -1.353 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.443 -3.796 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.826 -3.161 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.532 -2.793 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.132 -5.492 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.162 -4.535 -3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.627 -7.906 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.658 -6.948 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.890 -8.634 -3.441 1.00 0.00 H new ATOM 295 N VAL A 20 -21.068 -1.991 -5.295 1.00 0.00 N ATOM 296 CA VAL A 20 -22.495 -1.763 -5.681 1.00 0.00 C ATOM 297 C VAL A 20 -22.561 -1.168 -7.092 1.00 0.00 C ATOM 298 O VAL A 20 -23.511 -1.386 -7.820 1.00 0.00 O ATOM 299 CB VAL A 20 -23.042 -0.775 -4.642 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.495 -0.416 -4.971 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.985 -1.418 -3.253 1.00 0.00 C ATOM 0 H VAL A 20 -20.744 -1.449 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.076 -2.685 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.436 0.131 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.874 0.286 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.542 0.042 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.104 -1.320 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.373 -0.719 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.589 -2.325 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.952 -1.668 -3.010 1.00 0.00 H new ATOM 311 N GLN A 21 -21.557 -0.423 -7.478 1.00 0.00 N ATOM 312 CA GLN A 21 -21.552 0.187 -8.845 1.00 0.00 C ATOM 313 C GLN A 21 -21.400 -0.905 -9.905 1.00 0.00 C ATOM 314 O GLN A 21 -22.158 -0.970 -10.855 1.00 0.00 O ATOM 315 CB GLN A 21 -20.343 1.126 -8.865 1.00 0.00 C ATOM 316 CG GLN A 21 -20.534 2.179 -9.959 1.00 0.00 C ATOM 317 CD GLN A 21 -20.213 1.564 -11.321 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.159 0.990 -11.510 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.084 1.661 -12.288 1.00 0.00 N ATOM 0 H GLN A 21 -20.739 -0.210 -6.907 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.479 0.719 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.229 1.610 -7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.431 0.558 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.559 2.549 -9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.885 3.034 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -21.969 2.143 -12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -20.880 1.255 -13.201 1.00 0.00 H new ATOM 328 N THR A 22 -20.426 -1.765 -9.745 1.00 0.00 N ATOM 329 CA THR A 22 -20.219 -2.864 -10.739 1.00 0.00 C ATOM 330 C THR A 22 -21.397 -3.840 -10.694 1.00 0.00 C ATOM 331 O THR A 22 -21.734 -4.466 -11.681 1.00 0.00 O ATOM 332 CB THR A 22 -18.927 -3.562 -10.308 1.00 0.00 C ATOM 333 OG1 THR A 22 -17.884 -2.603 -10.206 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.549 -4.624 -11.340 1.00 0.00 C ATOM 0 H THR A 22 -19.764 -1.754 -8.969 1.00 0.00 H new ATOM 0 HA THR A 22 -20.152 -2.488 -11.760 1.00 0.00 H new ATOM 0 HB THR A 22 -19.077 -4.039 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.954 -2.134 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.629 -5.120 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.350 -5.359 -11.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.398 -4.151 -12.310 1.00 0.00 H new ATOM 342 N SER A 23 -22.024 -3.970 -9.552 1.00 0.00 N ATOM 343 CA SER A 23 -23.185 -4.904 -9.429 1.00 0.00 C ATOM 344 C SER A 23 -24.462 -4.251 -9.974 1.00 0.00 C ATOM 345 O SER A 23 -25.407 -4.931 -10.326 1.00 0.00 O ATOM 346 CB SER A 23 -23.321 -5.172 -7.931 1.00 0.00 C ATOM 347 OG SER A 23 -22.067 -5.602 -7.415 1.00 0.00 O ATOM 0 H SER A 23 -21.781 -3.468 -8.698 1.00 0.00 H new ATOM 0 HA SER A 23 -23.033 -5.821 -9.998 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.649 -4.269 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.081 -5.933 -7.753 1.00 0.00 H new ATOM 0 HG SER A 23 -21.540 -4.822 -7.144 1.00 0.00 H new ATOM 353 N ARG A 24 -24.496 -2.942 -10.050 1.00 0.00 N ATOM 354 CA ARG A 24 -25.713 -2.250 -10.576 1.00 0.00 C ATOM 355 C ARG A 24 -25.833 -2.492 -12.082 1.00 0.00 C ATOM 356 O ARG A 24 -26.896 -2.799 -12.588 1.00 0.00 O ATOM 357 CB ARG A 24 -25.490 -0.760 -10.284 1.00 0.00 C ATOM 358 CG ARG A 24 -26.762 -0.156 -9.681 1.00 0.00 C ATOM 359 CD ARG A 24 -27.871 -0.113 -10.741 1.00 0.00 C ATOM 360 NE ARG A 24 -28.956 -0.981 -10.204 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.872 -0.475 -9.425 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.639 -0.338 -8.147 1.00 0.00 N ATOM 363 NH2 ARG A 24 -31.021 -0.105 -9.922 1.00 0.00 N ATOM 0 H ARG A 24 -23.734 -2.324 -9.771 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.631 -2.615 -10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -24.655 -0.636 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.226 -0.235 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.087 -0.749 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -26.559 0.850 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.224 0.906 -10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.512 -0.480 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 24 -28.983 -1.972 -10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.741 -0.627 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -30.355 0.058 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -31.203 -0.211 -10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.737 0.291 -9.312 1.00 0.00 H new ATOM 377 N GLU A 25 -24.745 -2.360 -12.794 1.00 0.00 N ATOM 378 CA GLU A 25 -24.778 -2.587 -14.271 1.00 0.00 C ATOM 379 C GLU A 25 -25.085 -4.056 -14.563 1.00 0.00 C ATOM 380 O GLU A 25 -25.884 -4.374 -15.424 1.00 0.00 O ATOM 381 CB GLU A 25 -23.379 -2.221 -14.766 1.00 0.00 C ATOM 382 CG GLU A 25 -23.220 -0.700 -14.760 1.00 0.00 C ATOM 383 CD GLU A 25 -22.072 -0.301 -15.688 1.00 0.00 C ATOM 384 OE1 GLU A 25 -20.946 -0.675 -15.400 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.337 0.371 -16.671 1.00 0.00 O ATOM 0 H GLU A 25 -23.833 -2.104 -12.417 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.547 -1.993 -14.765 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.624 -2.679 -14.127 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.224 -2.610 -15.772 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.146 -0.226 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.021 -0.349 -13.747 1.00 0.00 H new ATOM 392 N GLU A 26 -24.457 -4.951 -13.845 1.00 0.00 N ATOM 393 CA GLU A 26 -24.710 -6.408 -14.066 1.00 0.00 C ATOM 394 C GLU A 26 -26.181 -6.734 -13.786 1.00 0.00 C ATOM 395 O GLU A 26 -26.725 -7.682 -14.321 1.00 0.00 O ATOM 396 CB GLU A 26 -23.802 -7.133 -13.070 1.00 0.00 C ATOM 397 CG GLU A 26 -23.894 -8.642 -13.299 1.00 0.00 C ATOM 398 CD GLU A 26 -23.214 -9.377 -12.142 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.032 -9.157 -11.940 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.889 -10.147 -11.477 1.00 0.00 O ATOM 0 H GLU A 26 -23.779 -4.736 -13.114 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.503 -6.709 -15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.772 -6.798 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.098 -6.891 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.938 -8.946 -13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.417 -8.907 -14.243 1.00 0.00 H new ATOM 407 N HIS A 27 -26.825 -5.955 -12.952 1.00 0.00 N ATOM 408 CA HIS A 27 -28.260 -6.214 -12.635 1.00 0.00 C ATOM 409 C HIS A 27 -29.159 -5.336 -13.512 1.00 0.00 C ATOM 410 O HIS A 27 -30.166 -4.823 -13.067 1.00 0.00 O ATOM 411 CB HIS A 27 -28.416 -5.836 -11.161 1.00 0.00 C ATOM 412 CG HIS A 27 -29.768 -6.269 -10.658 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.976 -5.619 -10.593 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.985 -7.526 -10.117 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.929 -6.457 -10.021 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.279 -7.592 -9.753 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.416 -5.150 -12.477 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.545 -7.250 -12.821 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.631 -6.309 -10.571 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.301 -4.759 -11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.250 -8.310 -10.007 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.970 -6.237 -9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.711 -8.410 -9.324 1.00 0.00 H new ATOM 424 N LYS A 28 -28.797 -5.159 -14.757 1.00 0.00 N ATOM 425 CA LYS A 28 -29.627 -4.311 -15.668 1.00 0.00 C ATOM 426 C LYS A 28 -30.035 -5.099 -16.917 1.00 0.00 C ATOM 427 O LYS A 28 -30.156 -4.547 -17.994 1.00 0.00 O ATOM 428 CB LYS A 28 -28.724 -3.137 -16.047 1.00 0.00 C ATOM 429 CG LYS A 28 -29.559 -2.052 -16.732 1.00 0.00 C ATOM 430 CD LYS A 28 -28.789 -0.731 -16.719 1.00 0.00 C ATOM 431 CE LYS A 28 -29.548 0.309 -17.546 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.047 1.625 -17.061 1.00 0.00 N ATOM 0 H LYS A 28 -27.963 -5.564 -15.183 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.550 -3.982 -15.191 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.242 -2.733 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -27.930 -3.475 -16.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -29.783 -2.344 -17.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.513 -1.934 -16.218 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -28.667 -0.379 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -27.789 -0.877 -17.127 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -29.357 0.182 -18.612 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.625 0.219 -17.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.521 2.390 -17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -29.249 1.720 -16.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -28.021 1.685 -17.217 1.00 0.00 H new ATOM 446 N LYS A 29 -30.252 -6.385 -16.780 1.00 0.00 N ATOM 447 CA LYS A 29 -30.656 -7.212 -17.958 1.00 0.00 C ATOM 448 C LYS A 29 -32.058 -7.792 -17.742 1.00 0.00 C ATOM 449 O LYS A 29 -32.972 -7.530 -18.502 1.00 0.00 O ATOM 450 CB LYS A 29 -29.617 -8.330 -18.030 1.00 0.00 C ATOM 451 CG LYS A 29 -28.388 -7.839 -18.798 1.00 0.00 C ATOM 452 CD LYS A 29 -27.398 -7.199 -17.823 1.00 0.00 C ATOM 453 CE LYS A 29 -26.380 -6.363 -18.602 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.443 -7.357 -19.197 1.00 0.00 N ATOM 0 H LYS A 29 -30.166 -6.897 -15.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.693 -6.630 -18.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -29.331 -8.640 -17.025 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -30.042 -9.204 -18.524 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.915 -8.672 -19.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.686 -7.116 -19.557 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -27.930 -6.570 -17.109 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.886 -7.971 -17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.866 -5.767 -19.374 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.855 -5.668 -17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.465 -7.106 -18.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.663 -8.305 -18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.546 -7.355 -20.232 1.00 0.00 H new ATOM 468 N LYS A 30 -32.229 -8.578 -16.711 1.00 0.00 N ATOM 469 CA LYS A 30 -33.569 -9.186 -16.431 1.00 0.00 C ATOM 470 C LYS A 30 -34.148 -8.615 -15.134 1.00 0.00 C ATOM 471 O LYS A 30 -34.318 -9.322 -14.157 1.00 0.00 O ATOM 472 CB LYS A 30 -33.307 -10.690 -16.283 1.00 0.00 C ATOM 473 CG LYS A 30 -32.270 -10.943 -15.177 1.00 0.00 C ATOM 474 CD LYS A 30 -30.986 -11.516 -15.785 1.00 0.00 C ATOM 475 CE LYS A 30 -29.942 -11.712 -14.684 1.00 0.00 C ATOM 476 NZ LYS A 30 -30.253 -13.042 -14.091 1.00 0.00 N ATOM 0 H LYS A 30 -31.496 -8.827 -16.047 1.00 0.00 H new ATOM 0 HA LYS A 30 -34.288 -8.975 -17.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -34.237 -11.207 -16.045 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -32.949 -11.099 -17.228 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -32.051 -10.013 -14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.674 -11.637 -14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.196 -12.467 -16.275 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.601 -10.842 -16.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.931 -11.688 -15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.004 -10.922 -13.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.558 -13.263 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.207 -13.023 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.212 -13.771 -14.832 1.00 0.00 H new ATOM 490 N HIS A 31 -34.440 -7.339 -15.109 1.00 0.00 N ATOM 491 CA HIS A 31 -34.997 -6.721 -13.860 1.00 0.00 C ATOM 492 C HIS A 31 -36.006 -5.617 -14.226 1.00 0.00 C ATOM 493 O HIS A 31 -35.815 -4.469 -13.875 1.00 0.00 O ATOM 494 CB HIS A 31 -33.792 -6.121 -13.102 1.00 0.00 C ATOM 495 CG HIS A 31 -32.626 -7.083 -13.101 1.00 0.00 C ATOM 496 ND1 HIS A 31 -32.408 -8.270 -12.444 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -31.510 -6.880 -13.893 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.177 -8.795 -12.825 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -30.679 -7.919 -13.699 1.00 0.00 N flip ATOM 0 H HIS A 31 -34.319 -6.699 -15.894 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.521 -7.454 -13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.494 -5.182 -13.568 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.080 -5.890 -12.076 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -33.050 -8.700 -11.779 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -31.338 -6.039 -14.548 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.722 -9.714 -12.486 1.00 0.00 H new ATOM 507 N PRO A 32 -37.057 -5.993 -14.924 1.00 0.00 N ATOM 508 CA PRO A 32 -38.084 -4.999 -15.326 1.00 0.00 C ATOM 509 C PRO A 32 -38.914 -4.569 -14.112 1.00 0.00 C ATOM 510 O PRO A 32 -39.094 -3.393 -13.860 1.00 0.00 O ATOM 511 CB PRO A 32 -38.945 -5.756 -16.334 1.00 0.00 C ATOM 512 CG PRO A 32 -38.768 -7.200 -15.991 1.00 0.00 C ATOM 513 CD PRO A 32 -37.389 -7.348 -15.402 1.00 0.00 C ATOM 0 HA PRO A 32 -37.657 -4.086 -15.742 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.991 -5.459 -16.261 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -38.627 -5.552 -17.356 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -39.528 -7.523 -15.279 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -38.877 -7.823 -16.879 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.379 -8.072 -14.587 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -36.672 -7.695 -16.146 1.00 0.00 H new ATOM 521 N ASP A 33 -39.417 -5.515 -13.361 1.00 0.00 N ATOM 522 CA ASP A 33 -40.236 -5.171 -12.160 1.00 0.00 C ATOM 523 C ASP A 33 -39.618 -5.793 -10.902 1.00 0.00 C ATOM 524 O ASP A 33 -40.298 -6.418 -10.110 1.00 0.00 O ATOM 525 CB ASP A 33 -41.625 -5.762 -12.434 1.00 0.00 C ATOM 526 CG ASP A 33 -41.518 -7.275 -12.657 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.275 -7.671 -13.785 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.681 -8.008 -11.696 1.00 0.00 O ATOM 0 H ASP A 33 -39.295 -6.514 -13.528 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.284 -4.096 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -42.289 -5.556 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -42.064 -5.287 -13.311 1.00 0.00 H new ATOM 533 N SER A 34 -38.333 -5.624 -10.721 1.00 0.00 N ATOM 534 CA SER A 34 -37.657 -6.200 -9.519 1.00 0.00 C ATOM 535 C SER A 34 -37.562 -5.157 -8.397 1.00 0.00 C ATOM 536 O SER A 34 -37.393 -5.498 -7.243 1.00 0.00 O ATOM 537 CB SER A 34 -36.262 -6.593 -10.002 1.00 0.00 C ATOM 538 OG SER A 34 -35.621 -7.374 -9.002 1.00 0.00 O ATOM 0 H SER A 34 -37.721 -5.111 -11.355 1.00 0.00 H new ATOM 0 HA SER A 34 -38.206 -7.048 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.332 -7.158 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.674 -5.701 -10.215 1.00 0.00 H new ATOM 0 HG SER A 34 -34.726 -7.629 -9.310 1.00 0.00 H new ATOM 544 N SER A 35 -37.663 -3.889 -8.728 1.00 0.00 N ATOM 545 CA SER A 35 -37.577 -2.812 -7.688 1.00 0.00 C ATOM 546 C SER A 35 -36.312 -2.979 -6.833 1.00 0.00 C ATOM 547 O SER A 35 -36.343 -2.829 -5.625 1.00 0.00 O ATOM 548 CB SER A 35 -38.846 -2.962 -6.838 1.00 0.00 C ATOM 549 OG SER A 35 -38.633 -3.918 -5.805 1.00 0.00 O ATOM 0 H SER A 35 -37.802 -3.553 -9.681 1.00 0.00 H new ATOM 0 HA SER A 35 -37.512 -1.820 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 35 -39.118 -2.000 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -39.680 -3.274 -7.467 1.00 0.00 H new ATOM 0 HG SER A 35 -38.445 -4.794 -6.203 1.00 0.00 H new ATOM 555 N VAL A 36 -35.204 -3.292 -7.457 1.00 0.00 N ATOM 556 CA VAL A 36 -33.932 -3.473 -6.693 1.00 0.00 C ATOM 557 C VAL A 36 -33.409 -2.119 -6.200 1.00 0.00 C ATOM 558 O VAL A 36 -32.392 -1.633 -6.659 1.00 0.00 O ATOM 559 CB VAL A 36 -32.954 -4.116 -7.688 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.734 -3.188 -8.889 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.616 -4.379 -6.990 1.00 0.00 C ATOM 0 H VAL A 36 -35.126 -3.430 -8.465 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.066 -4.093 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.374 -5.057 -8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -32.039 -3.655 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.686 -3.009 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.321 -2.240 -8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.921 -4.835 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -31.202 -3.437 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.772 -5.052 -6.147 1.00 0.00 H new ATOM 571 N ASN A 37 -34.094 -1.510 -5.261 1.00 0.00 N ATOM 572 CA ASN A 37 -33.636 -0.188 -4.726 1.00 0.00 C ATOM 573 C ASN A 37 -32.227 -0.326 -4.141 1.00 0.00 C ATOM 574 O ASN A 37 -31.636 -1.390 -4.194 1.00 0.00 O ATOM 575 CB ASN A 37 -34.638 0.175 -3.628 1.00 0.00 C ATOM 576 CG ASN A 37 -36.041 0.288 -4.228 1.00 0.00 C ATOM 577 OD1 ASN A 37 -36.200 0.722 -5.352 1.00 0.00 O ATOM 578 ND2 ASN A 37 -37.072 -0.089 -3.522 1.00 0.00 N ATOM 0 H ASN A 37 -34.951 -1.872 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.593 0.579 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.626 -0.584 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.355 1.118 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -38.011 -0.019 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.938 -0.453 -2.579 1.00 0.00 H new ATOM 585 N PHE A 38 -31.684 0.731 -3.588 1.00 0.00 N ATOM 586 CA PHE A 38 -30.311 0.636 -3.009 1.00 0.00 C ATOM 587 C PHE A 38 -30.317 -0.273 -1.785 1.00 0.00 C ATOM 588 O PHE A 38 -29.434 -1.074 -1.614 1.00 0.00 O ATOM 589 CB PHE A 38 -29.914 2.054 -2.608 1.00 0.00 C ATOM 590 CG PHE A 38 -29.837 2.920 -3.842 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.708 2.856 -4.666 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.892 3.784 -4.163 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.631 3.653 -5.811 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.813 4.583 -5.311 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.682 4.516 -6.135 1.00 0.00 C ATOM 0 H PHE A 38 -32.128 1.646 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.608 0.216 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.642 2.463 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.951 2.043 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.895 2.190 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.764 3.834 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.759 3.602 -6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.624 5.251 -5.561 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.622 5.131 -7.021 1.00 0.00 H new ATOM 605 N ALA A 39 -31.300 -0.155 -0.929 1.00 0.00 N ATOM 606 CA ALA A 39 -31.334 -1.026 0.287 1.00 0.00 C ATOM 607 C ALA A 39 -31.668 -2.463 -0.094 1.00 0.00 C ATOM 608 O ALA A 39 -31.069 -3.394 0.409 1.00 0.00 O ATOM 609 CB ALA A 39 -32.417 -0.432 1.188 1.00 0.00 C ATOM 0 H ALA A 39 -32.076 0.501 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.369 -1.055 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.496 -1.023 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.156 0.595 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.373 -0.444 0.664 1.00 0.00 H new ATOM 615 N GLU A 40 -32.601 -2.654 -0.985 1.00 0.00 N ATOM 616 CA GLU A 40 -32.948 -4.043 -1.405 1.00 0.00 C ATOM 617 C GLU A 40 -31.742 -4.702 -2.089 1.00 0.00 C ATOM 618 O GLU A 40 -31.704 -5.907 -2.258 1.00 0.00 O ATOM 619 CB GLU A 40 -34.113 -3.893 -2.385 1.00 0.00 C ATOM 620 CG GLU A 40 -35.425 -3.775 -1.608 1.00 0.00 C ATOM 621 CD GLU A 40 -35.479 -2.421 -0.899 1.00 0.00 C ATOM 622 OE1 GLU A 40 -34.900 -2.309 0.170 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.097 -1.516 -1.437 1.00 0.00 O ATOM 0 H GLU A 40 -33.136 -1.914 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.218 -4.674 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.967 -3.010 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.151 -4.752 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -36.272 -3.876 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.502 -4.582 -0.879 1.00 0.00 H new ATOM 630 N PHE A 41 -30.759 -3.924 -2.491 1.00 0.00 N ATOM 631 CA PHE A 41 -29.568 -4.512 -3.167 1.00 0.00 C ATOM 632 C PHE A 41 -28.313 -4.353 -2.300 1.00 0.00 C ATOM 633 O PHE A 41 -27.549 -5.283 -2.124 1.00 0.00 O ATOM 634 CB PHE A 41 -29.436 -3.721 -4.469 1.00 0.00 C ATOM 635 CG PHE A 41 -28.488 -4.431 -5.405 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.772 -5.733 -5.836 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.329 -3.784 -5.847 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.895 -6.388 -6.709 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.453 -4.438 -6.720 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.735 -5.739 -7.151 1.00 0.00 C ATOM 0 H PHE A 41 -30.736 -2.911 -2.377 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.679 -5.582 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.413 -3.612 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.070 -2.716 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.667 -6.232 -5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.111 -2.780 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.113 -7.392 -7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.558 -3.938 -7.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.058 -6.243 -7.825 1.00 0.00 H new ATOM 650 N SER A 42 -28.104 -3.185 -1.755 1.00 0.00 N ATOM 651 CA SER A 42 -26.908 -2.944 -0.886 1.00 0.00 C ATOM 652 C SER A 42 -26.884 -3.949 0.274 1.00 0.00 C ATOM 653 O SER A 42 -25.842 -4.244 0.827 1.00 0.00 O ATOM 654 CB SER A 42 -27.081 -1.515 -0.361 1.00 0.00 C ATOM 655 OG SER A 42 -28.185 -1.472 0.532 1.00 0.00 O ATOM 0 H SER A 42 -28.715 -2.377 -1.874 1.00 0.00 H new ATOM 0 HA SER A 42 -25.970 -3.066 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.174 -1.190 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.243 -0.828 -1.191 1.00 0.00 H new ATOM 0 HG SER A 42 -29.014 -1.630 0.035 1.00 0.00 H new ATOM 661 N LYS A 43 -28.028 -4.482 0.632 1.00 0.00 N ATOM 662 CA LYS A 43 -28.082 -5.477 1.742 1.00 0.00 C ATOM 663 C LYS A 43 -27.566 -6.831 1.248 1.00 0.00 C ATOM 664 O LYS A 43 -27.014 -7.610 2.003 1.00 0.00 O ATOM 665 CB LYS A 43 -29.562 -5.573 2.119 1.00 0.00 C ATOM 666 CG LYS A 43 -29.834 -4.721 3.360 1.00 0.00 C ATOM 667 CD LYS A 43 -31.332 -4.728 3.668 1.00 0.00 C ATOM 668 CE LYS A 43 -31.688 -5.999 4.444 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.967 -5.681 5.137 1.00 0.00 N ATOM 0 H LYS A 43 -28.927 -4.268 0.200 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.466 -5.186 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.181 -5.232 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.831 -6.611 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.276 -5.111 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.491 -3.700 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.598 -3.847 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.905 -4.682 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.803 -6.851 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.906 -6.258 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -33.276 -6.505 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.825 -4.870 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.694 -5.445 4.432 1.00 0.00 H new ATOM 683 N LYS A 44 -27.744 -7.113 -0.018 1.00 0.00 N ATOM 684 CA LYS A 44 -27.270 -8.412 -0.578 1.00 0.00 C ATOM 685 C LYS A 44 -25.795 -8.309 -0.977 1.00 0.00 C ATOM 686 O LYS A 44 -25.012 -9.204 -0.716 1.00 0.00 O ATOM 687 CB LYS A 44 -28.142 -8.654 -1.811 1.00 0.00 C ATOM 688 CG LYS A 44 -28.198 -10.152 -2.113 1.00 0.00 C ATOM 689 CD LYS A 44 -27.042 -10.530 -3.040 1.00 0.00 C ATOM 690 CE LYS A 44 -27.182 -11.995 -3.460 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.626 -12.776 -2.320 1.00 0.00 N ATOM 0 H LYS A 44 -28.200 -6.495 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.349 -9.225 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.147 -8.269 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.737 -8.115 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.137 -10.723 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.150 -10.404 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.042 -9.887 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.090 -10.376 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.224 -12.255 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.634 -12.196 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.761 -13.267 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.400 -12.132 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -27.328 -13.475 -2.003 1.00 0.00 H new ATOM 705 N CYS A 45 -25.412 -7.225 -1.604 1.00 0.00 N ATOM 706 CA CYS A 45 -23.985 -7.061 -2.021 1.00 0.00 C ATOM 707 C CYS A 45 -23.075 -7.073 -0.789 1.00 0.00 C ATOM 708 O CYS A 45 -21.934 -7.491 -0.855 1.00 0.00 O ATOM 709 CB CYS A 45 -23.918 -5.704 -2.728 1.00 0.00 C ATOM 710 SG CYS A 45 -24.623 -5.855 -4.389 1.00 0.00 S ATOM 0 H CYS A 45 -26.025 -6.447 -1.845 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.653 -7.868 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.466 -4.956 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.884 -5.364 -2.789 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.394 -4.836 -4.627 1.00 0.00 H new ATOM 716 N SER A 46 -23.577 -6.625 0.334 1.00 0.00 N ATOM 717 CA SER A 46 -22.749 -6.616 1.579 1.00 0.00 C ATOM 718 C SER A 46 -22.522 -8.050 2.061 1.00 0.00 C ATOM 719 O SER A 46 -21.476 -8.378 2.591 1.00 0.00 O ATOM 720 CB SER A 46 -23.567 -5.829 2.603 1.00 0.00 C ATOM 721 OG SER A 46 -24.785 -6.515 2.859 1.00 0.00 O ATOM 0 H SER A 46 -24.525 -6.265 0.443 1.00 0.00 H new ATOM 0 HA SER A 46 -21.768 -6.169 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.000 -5.714 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.773 -4.826 2.228 1.00 0.00 H new ATOM 0 HG SER A 46 -25.090 -6.957 2.039 1.00 0.00 H new ATOM 727 N GLU A 47 -23.494 -8.906 1.873 1.00 0.00 N ATOM 728 CA GLU A 47 -23.341 -10.328 2.313 1.00 0.00 C ATOM 729 C GLU A 47 -22.191 -10.992 1.550 1.00 0.00 C ATOM 730 O GLU A 47 -21.550 -11.899 2.045 1.00 0.00 O ATOM 731 CB GLU A 47 -24.671 -11.002 1.970 1.00 0.00 C ATOM 732 CG GLU A 47 -25.670 -10.765 3.104 1.00 0.00 C ATOM 733 CD GLU A 47 -25.288 -11.626 4.309 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.421 -11.208 5.060 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.870 -12.687 4.462 1.00 0.00 O ATOM 0 H GLU A 47 -24.387 -8.683 1.434 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.110 -10.408 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.064 -10.601 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.521 -12.071 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.676 -9.711 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.678 -11.012 2.772 1.00 0.00 H new ATOM 742 N ARG A 48 -21.927 -10.541 0.349 1.00 0.00 N ATOM 743 CA ARG A 48 -20.819 -11.135 -0.456 1.00 0.00 C ATOM 744 C ARG A 48 -19.529 -10.341 -0.235 1.00 0.00 C ATOM 745 O ARG A 48 -18.457 -10.903 -0.120 1.00 0.00 O ATOM 746 CB ARG A 48 -21.279 -11.020 -1.910 1.00 0.00 C ATOM 747 CG ARG A 48 -20.364 -11.860 -2.803 1.00 0.00 C ATOM 748 CD ARG A 48 -20.652 -11.539 -4.272 1.00 0.00 C ATOM 749 NE ARG A 48 -21.982 -12.149 -4.545 1.00 0.00 N ATOM 750 CZ ARG A 48 -22.861 -11.504 -5.260 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.681 -11.363 -6.545 1.00 0.00 N ATOM 752 NH2 ARG A 48 -23.922 -10.998 -4.691 1.00 0.00 N ATOM 0 H ARG A 48 -22.434 -9.784 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.610 -12.168 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.310 -11.361 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.258 -9.978 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.320 -11.650 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.526 -12.921 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.668 -10.463 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.885 -11.956 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.206 -13.072 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.852 -11.758 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.369 -10.858 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.063 -11.107 -3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.609 -10.493 -5.251 1.00 0.00 H new ATOM 766 N TRP A 49 -19.630 -9.038 -0.172 1.00 0.00 N ATOM 767 CA TRP A 49 -18.415 -8.194 0.046 1.00 0.00 C ATOM 768 C TRP A 49 -17.782 -8.534 1.401 1.00 0.00 C ATOM 769 O TRP A 49 -16.580 -8.691 1.513 1.00 0.00 O ATOM 770 CB TRP A 49 -18.925 -6.745 0.029 1.00 0.00 C ATOM 771 CG TRP A 49 -17.795 -5.797 0.285 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.721 -4.947 1.334 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.583 -5.589 -0.497 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.541 -4.229 1.246 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.806 -4.589 0.135 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.088 -6.163 -1.682 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.581 -4.175 -0.390 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -14.855 -5.749 -2.212 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.103 -4.756 -1.567 1.00 0.00 C ATOM 0 H TRP A 49 -20.504 -8.520 -0.262 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.650 -8.358 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.383 -6.524 -0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.698 -6.615 0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.462 -4.845 2.113 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.250 -3.521 1.920 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -16.660 -6.927 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.006 -3.410 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.484 -6.198 -3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.156 -4.441 -1.980 1.00 0.00 H new ATOM 790 N LYS A 50 -18.586 -8.644 2.428 1.00 0.00 N ATOM 791 CA LYS A 50 -18.040 -8.969 3.781 1.00 0.00 C ATOM 792 C LYS A 50 -17.476 -10.394 3.801 1.00 0.00 C ATOM 793 O LYS A 50 -16.582 -10.703 4.566 1.00 0.00 O ATOM 794 CB LYS A 50 -19.231 -8.849 4.735 1.00 0.00 C ATOM 795 CG LYS A 50 -19.353 -7.402 5.217 1.00 0.00 C ATOM 796 CD LYS A 50 -20.729 -7.187 5.850 1.00 0.00 C ATOM 797 CE LYS A 50 -20.810 -7.945 7.178 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.545 -9.200 6.860 1.00 0.00 N ATOM 0 H LYS A 50 -19.598 -8.523 2.388 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.225 -8.303 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.148 -9.154 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.098 -9.517 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.569 -7.182 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.215 -6.717 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.902 -6.124 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.510 -7.535 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.816 -8.158 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.334 -7.361 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.495 -9.163 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.628 -9.302 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.026 -10.014 7.247 1.00 0.00 H new ATOM 812 N THR A 51 -17.991 -11.260 2.964 1.00 0.00 N ATOM 813 CA THR A 51 -17.486 -12.667 2.928 1.00 0.00 C ATOM 814 C THR A 51 -16.572 -12.896 1.714 1.00 0.00 C ATOM 815 O THR A 51 -16.113 -14.000 1.484 1.00 0.00 O ATOM 816 CB THR A 51 -18.741 -13.535 2.819 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.458 -13.180 1.646 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.626 -13.319 4.047 1.00 0.00 C ATOM 0 H THR A 51 -18.740 -11.053 2.303 1.00 0.00 H new ATOM 0 HA THR A 51 -16.892 -12.904 3.811 1.00 0.00 H new ATOM 0 HB THR A 51 -18.453 -14.585 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.399 -13.023 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.519 -13.939 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.074 -13.594 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.917 -12.270 4.106 1.00 0.00 H new ATOM 826 N MET A 52 -16.302 -11.872 0.935 1.00 0.00 N ATOM 827 CA MET A 52 -15.417 -12.049 -0.258 1.00 0.00 C ATOM 828 C MET A 52 -13.978 -12.320 0.188 1.00 0.00 C ATOM 829 O MET A 52 -13.499 -11.748 1.150 1.00 0.00 O ATOM 830 CB MET A 52 -15.502 -10.725 -1.024 1.00 0.00 C ATOM 831 CG MET A 52 -16.518 -10.855 -2.162 1.00 0.00 C ATOM 832 SD MET A 52 -15.672 -11.380 -3.675 1.00 0.00 S ATOM 833 CE MET A 52 -15.054 -9.751 -4.165 1.00 0.00 C ATOM 0 H MET A 52 -16.656 -10.926 1.075 1.00 0.00 H new ATOM 0 HA MET A 52 -15.724 -12.893 -0.875 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.797 -9.921 -0.350 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.523 -10.462 -1.425 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.288 -11.578 -1.894 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.019 -9.901 -2.326 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.695 -9.792 -5.193 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.858 -9.019 -4.091 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.236 -9.459 -3.507 1.00 0.00 H new ATOM 843 N SER A 53 -13.288 -13.192 -0.504 1.00 0.00 N ATOM 844 CA SER A 53 -11.876 -13.509 -0.126 1.00 0.00 C ATOM 845 C SER A 53 -10.980 -12.287 -0.349 1.00 0.00 C ATOM 846 O SER A 53 -11.262 -11.446 -1.181 1.00 0.00 O ATOM 847 CB SER A 53 -11.458 -14.656 -1.047 1.00 0.00 C ATOM 848 OG SER A 53 -12.226 -15.811 -0.737 1.00 0.00 O ATOM 0 H SER A 53 -13.642 -13.699 -1.315 1.00 0.00 H new ATOM 0 HA SER A 53 -11.786 -13.782 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.608 -14.374 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.396 -14.868 -0.924 1.00 0.00 H new ATOM 0 HG SER A 53 -11.962 -16.548 -1.327 1.00 0.00 H new ATOM 854 N ALA A 54 -9.904 -12.189 0.389 1.00 0.00 N ATOM 855 CA ALA A 54 -8.980 -11.022 0.228 1.00 0.00 C ATOM 856 C ALA A 54 -8.422 -10.978 -1.198 1.00 0.00 C ATOM 857 O ALA A 54 -8.087 -9.925 -1.707 1.00 0.00 O ATOM 858 CB ALA A 54 -7.852 -11.258 1.235 1.00 0.00 C ATOM 0 H ALA A 54 -9.624 -12.867 1.098 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.488 -10.073 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.134 -10.440 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.267 -11.303 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.351 -12.199 1.006 1.00 0.00 H new ATOM 864 N LYS A 55 -8.320 -12.113 -1.841 1.00 0.00 N ATOM 865 CA LYS A 55 -7.783 -12.143 -3.237 1.00 0.00 C ATOM 866 C LYS A 55 -8.822 -11.587 -4.214 1.00 0.00 C ATOM 867 O LYS A 55 -8.484 -11.045 -5.249 1.00 0.00 O ATOM 868 CB LYS A 55 -7.507 -13.619 -3.530 1.00 0.00 C ATOM 869 CG LYS A 55 -6.175 -14.024 -2.897 1.00 0.00 C ATOM 870 CD LYS A 55 -5.023 -13.548 -3.784 1.00 0.00 C ATOM 871 CE LYS A 55 -3.700 -14.094 -3.241 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.577 -15.457 -3.826 1.00 0.00 N ATOM 0 H LYS A 55 -8.585 -13.021 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.885 -11.534 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.313 -14.236 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.476 -13.788 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.086 -13.588 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.132 -15.106 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.175 -13.887 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.996 -12.459 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.862 -13.462 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.706 -14.131 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.103 -16.085 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.524 -15.830 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.018 -15.410 -4.702 1.00 0.00 H new ATOM 886 N GLU A 56 -10.082 -11.718 -3.889 1.00 0.00 N ATOM 887 CA GLU A 56 -11.153 -11.199 -4.792 1.00 0.00 C ATOM 888 C GLU A 56 -11.340 -9.695 -4.578 1.00 0.00 C ATOM 889 O GLU A 56 -11.311 -8.918 -5.513 1.00 0.00 O ATOM 890 CB GLU A 56 -12.415 -11.962 -4.391 1.00 0.00 C ATOM 891 CG GLU A 56 -12.240 -13.447 -4.712 1.00 0.00 C ATOM 892 CD GLU A 56 -13.587 -14.160 -4.587 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.507 -13.772 -5.289 1.00 0.00 O ATOM 894 OE2 GLU A 56 -13.677 -15.081 -3.792 1.00 0.00 O ATOM 0 H GLU A 56 -10.417 -12.163 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.911 -11.341 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.609 -11.830 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.278 -11.563 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.845 -13.567 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.516 -13.894 -4.031 1.00 0.00 H new ATOM 901 N LYS A 57 -11.534 -9.283 -3.350 1.00 0.00 N ATOM 902 CA LYS A 57 -11.726 -7.827 -3.064 1.00 0.00 C ATOM 903 C LYS A 57 -10.478 -7.023 -3.462 1.00 0.00 C ATOM 904 O LYS A 57 -10.537 -5.819 -3.627 1.00 0.00 O ATOM 905 CB LYS A 57 -11.976 -7.736 -1.551 1.00 0.00 C ATOM 906 CG LYS A 57 -10.758 -8.257 -0.779 1.00 0.00 C ATOM 907 CD LYS A 57 -10.981 -8.055 0.721 1.00 0.00 C ATOM 908 CE LYS A 57 -9.644 -7.765 1.404 1.00 0.00 C ATOM 909 NZ LYS A 57 -9.964 -6.782 2.475 1.00 0.00 N ATOM 0 H LYS A 57 -11.568 -9.892 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.556 -7.410 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.178 -6.702 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.859 -8.317 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.602 -9.314 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.859 -7.730 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.673 -7.229 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.437 -8.945 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.208 -8.673 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.920 -7.358 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.095 -6.534 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.371 -5.925 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.650 -7.200 3.136 1.00 0.00 H new ATOM 923 N SER A 58 -9.348 -7.677 -3.613 1.00 0.00 N ATOM 924 CA SER A 58 -8.094 -6.948 -3.995 1.00 0.00 C ATOM 925 C SER A 58 -8.302 -6.159 -5.293 1.00 0.00 C ATOM 926 O SER A 58 -7.655 -5.155 -5.526 1.00 0.00 O ATOM 927 CB SER A 58 -7.042 -8.040 -4.198 1.00 0.00 C ATOM 928 OG SER A 58 -7.382 -8.812 -5.342 1.00 0.00 O ATOM 0 H SER A 58 -9.240 -8.684 -3.488 1.00 0.00 H new ATOM 0 HA SER A 58 -7.795 -6.228 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.057 -7.592 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.989 -8.679 -3.316 1.00 0.00 H new ATOM 0 HG SER A 58 -7.358 -9.764 -5.113 1.00 0.00 H new ATOM 934 N LYS A 59 -9.201 -6.605 -6.133 1.00 0.00 N ATOM 935 CA LYS A 59 -9.458 -5.881 -7.416 1.00 0.00 C ATOM 936 C LYS A 59 -10.274 -4.614 -7.150 1.00 0.00 C ATOM 937 O LYS A 59 -10.162 -3.633 -7.860 1.00 0.00 O ATOM 938 CB LYS A 59 -10.256 -6.861 -8.279 1.00 0.00 C ATOM 939 CG LYS A 59 -10.278 -6.362 -9.726 1.00 0.00 C ATOM 940 CD LYS A 59 -11.207 -7.250 -10.558 1.00 0.00 C ATOM 941 CE LYS A 59 -11.596 -6.518 -11.844 1.00 0.00 C ATOM 942 NZ LYS A 59 -10.337 -6.432 -12.635 1.00 0.00 N ATOM 0 H LYS A 59 -9.769 -7.440 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.535 -5.571 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.807 -7.853 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.273 -6.953 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.620 -5.327 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.271 -6.379 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.710 -8.190 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.100 -7.499 -9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.368 -7.061 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.995 -5.527 -11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.564 -6.213 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.732 -5.682 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.835 -7.341 -12.588 1.00 0.00 H new ATOM 956 N PHE A 60 -11.090 -4.630 -6.126 1.00 0.00 N ATOM 957 CA PHE A 60 -11.917 -3.430 -5.800 1.00 0.00 C ATOM 958 C PHE A 60 -11.111 -2.454 -4.938 1.00 0.00 C ATOM 959 O PHE A 60 -11.320 -1.256 -4.984 1.00 0.00 O ATOM 960 CB PHE A 60 -13.113 -3.975 -5.019 1.00 0.00 C ATOM 961 CG PHE A 60 -14.093 -4.608 -5.977 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.901 -3.802 -6.787 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.194 -6.002 -6.055 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.810 -4.390 -7.675 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.103 -6.590 -6.942 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.911 -5.784 -7.753 1.00 0.00 C ATOM 0 H PHE A 60 -11.219 -5.425 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.227 -2.885 -6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.778 -4.709 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.597 -3.170 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.823 -2.726 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.570 -6.624 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.433 -3.768 -8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.181 -7.666 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.612 -6.237 -8.438 1.00 0.00 H new ATOM 976 N GLU A 61 -10.194 -2.961 -4.154 1.00 0.00 N ATOM 977 CA GLU A 61 -9.366 -2.070 -3.286 1.00 0.00 C ATOM 978 C GLU A 61 -8.292 -1.370 -4.122 1.00 0.00 C ATOM 979 O GLU A 61 -7.873 -0.269 -3.815 1.00 0.00 O ATOM 980 CB GLU A 61 -8.723 -3.000 -2.255 1.00 0.00 C ATOM 981 CG GLU A 61 -8.254 -2.181 -1.051 1.00 0.00 C ATOM 982 CD GLU A 61 -7.748 -3.124 0.042 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.575 -3.712 0.719 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.542 -3.243 0.184 1.00 0.00 O ATOM 0 H GLU A 61 -9.983 -3.956 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.960 -1.289 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.439 -3.757 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.879 -3.527 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.461 -1.496 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.074 -1.572 -0.670 1.00 0.00 H new ATOM 991 N ASP A 62 -7.846 -2.003 -5.178 1.00 0.00 N ATOM 992 CA ASP A 62 -6.799 -1.382 -6.044 1.00 0.00 C ATOM 993 C ASP A 62 -7.433 -0.346 -6.976 1.00 0.00 C ATOM 994 O ASP A 62 -6.802 0.619 -7.365 1.00 0.00 O ATOM 995 CB ASP A 62 -6.208 -2.539 -6.850 1.00 0.00 C ATOM 996 CG ASP A 62 -4.865 -2.115 -7.447 1.00 0.00 C ATOM 997 OD1 ASP A 62 -3.870 -2.222 -6.750 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.855 -1.690 -8.590 1.00 0.00 O ATOM 0 H ASP A 62 -8.163 -2.925 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.037 -0.863 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.074 -3.411 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.895 -2.830 -7.645 1.00 0.00 H new ATOM 1003 N MET A 63 -8.678 -0.540 -7.331 1.00 0.00 N ATOM 1004 CA MET A 63 -9.364 0.431 -8.236 1.00 0.00 C ATOM 1005 C MET A 63 -9.811 1.663 -7.444 1.00 0.00 C ATOM 1006 O MET A 63 -9.878 2.758 -7.970 1.00 0.00 O ATOM 1007 CB MET A 63 -10.576 -0.323 -8.786 1.00 0.00 C ATOM 1008 CG MET A 63 -10.121 -1.305 -9.867 1.00 0.00 C ATOM 1009 SD MET A 63 -11.568 -2.103 -10.606 1.00 0.00 S ATOM 1010 CE MET A 63 -11.619 -1.119 -12.124 1.00 0.00 C ATOM 0 H MET A 63 -9.250 -1.330 -7.033 1.00 0.00 H new ATOM 0 HA MET A 63 -8.711 0.784 -9.034 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.079 -0.859 -7.982 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.298 0.381 -9.200 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.551 -0.780 -10.634 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.459 -2.056 -9.436 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.453 -1.448 -12.743 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.748 -0.067 -11.871 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.686 -1.249 -12.673 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.115 1.487 -6.183 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.557 2.643 -5.345 1.00 0.00 C ATOM 1022 C ALA A 64 -9.346 3.476 -4.917 1.00 0.00 C ATOM 1023 O ALA A 64 -9.444 4.672 -4.722 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.237 2.017 -4.126 1.00 0.00 C ATOM 0 H ALA A 64 -10.076 0.591 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.229 3.311 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.590 2.806 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.083 1.412 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.524 1.387 -3.595 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.207 2.848 -4.773 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.981 3.595 -4.360 1.00 0.00 C ATOM 1032 C LYS A 65 -6.469 4.449 -5.522 1.00 0.00 C ATOM 1033 O LYS A 65 -5.876 5.493 -5.322 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.957 2.519 -3.994 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.829 3.142 -3.168 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.678 3.540 -4.092 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.811 4.597 -3.403 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.864 5.064 -4.455 1.00 0.00 N ATOM 0 H LYS A 65 -8.073 1.848 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.173 4.270 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.439 1.722 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.551 2.066 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.197 4.016 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.479 2.432 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.076 2.665 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.070 3.932 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.418 5.420 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.278 4.176 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.340 5.893 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.194 4.301 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.396 5.324 -5.310 1.00 0.00 H new ATOM 1052 N SER A 66 -6.698 4.012 -6.735 1.00 0.00 N ATOM 1053 CA SER A 66 -6.230 4.796 -7.920 1.00 0.00 C ATOM 1054 C SER A 66 -6.925 6.159 -7.955 1.00 0.00 C ATOM 1055 O SER A 66 -6.338 7.154 -8.337 1.00 0.00 O ATOM 1056 CB SER A 66 -6.627 3.962 -9.139 1.00 0.00 C ATOM 1057 OG SER A 66 -6.060 4.538 -10.307 1.00 0.00 O ATOM 0 H SER A 66 -7.189 3.146 -6.956 1.00 0.00 H new ATOM 0 HA SER A 66 -5.157 4.983 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.280 2.936 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.713 3.923 -9.229 1.00 0.00 H new ATOM 0 HG SER A 66 -6.311 4.005 -11.090 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.170 6.208 -7.556 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.914 7.503 -7.560 1.00 0.00 C ATOM 1065 C ASP A 67 -8.637 8.273 -6.265 1.00 0.00 C ATOM 1066 O ASP A 67 -8.637 9.489 -6.244 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.389 7.113 -7.646 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.730 6.719 -9.085 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.777 7.604 -9.925 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.938 5.541 -9.322 1.00 0.00 O ATOM 0 H ASP A 67 -8.705 5.404 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.616 8.149 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.596 6.282 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.016 7.946 -7.328 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.401 7.569 -5.187 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.122 8.250 -3.886 1.00 0.00 C ATOM 1077 C LYS A 68 -6.749 8.926 -3.929 1.00 0.00 C ATOM 1078 O LYS A 68 -6.542 9.967 -3.336 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.137 7.137 -2.836 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.440 7.735 -1.461 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.167 8.354 -0.881 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.246 8.349 0.648 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.023 9.073 1.096 1.00 0.00 N ATOM 0 H LYS A 68 -8.389 6.550 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.855 9.026 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.888 6.390 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.174 6.627 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.219 8.493 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.818 6.962 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.294 7.792 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.047 9.374 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.150 8.846 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.269 7.332 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.004 9.112 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.178 8.573 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.032 10.040 0.713 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.813 8.339 -4.631 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.449 8.940 -4.722 1.00 0.00 C ATOM 1099 C ALA A 69 -4.418 10.017 -5.809 1.00 0.00 C ATOM 1100 O ALA A 69 -3.664 10.969 -5.731 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.527 7.778 -5.092 1.00 0.00 C ATOM 0 H ALA A 69 -5.936 7.467 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.146 9.419 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.502 8.140 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.578 7.012 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.843 7.352 -6.044 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.235 9.872 -6.822 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.262 10.885 -7.921 1.00 0.00 C ATOM 1109 C ARG A 70 -5.857 12.201 -7.412 1.00 0.00 C ATOM 1110 O ARG A 70 -5.532 13.268 -7.900 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.153 10.279 -9.007 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.926 11.019 -10.327 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.421 10.155 -11.488 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.785 10.741 -12.702 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.875 10.066 -13.350 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -3.773 9.709 -12.749 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -5.069 9.748 -14.601 1.00 0.00 N ATOM 0 H ARG A 70 -5.885 9.095 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.263 11.110 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.927 9.220 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.200 10.350 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.455 11.972 -10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.867 11.244 -10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.132 9.112 -11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.508 10.178 -11.562 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.061 11.668 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.622 9.957 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.063 9.182 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.931 10.027 -15.070 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.359 9.221 -15.109 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.724 12.130 -6.434 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.347 13.376 -5.885 1.00 0.00 C ATOM 1133 C TYR A 71 -6.267 14.296 -5.308 1.00 0.00 C ATOM 1134 O TYR A 71 -6.410 15.505 -5.303 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.293 12.902 -4.779 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.275 14.001 -4.452 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.493 14.079 -5.138 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.969 14.941 -3.461 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.404 15.097 -4.834 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.880 15.960 -3.157 1.00 0.00 C ATOM 1141 CZ TYR A 71 -11.097 16.038 -3.844 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.996 17.042 -3.544 1.00 0.00 O ATOM 0 H TYR A 71 -7.029 11.263 -5.991 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.874 13.943 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.826 12.007 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.724 12.632 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.730 13.353 -5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.030 14.880 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.344 15.157 -5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.644 16.686 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.629 17.609 -2.834 1.00 0.00 H new