USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=24 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= -0.178 F(o=-4.5,f=-3.8) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 138:sc= -0.0121 (180deg=-0.0813) USER MOD Set 1.3: A 31 HIS :FLIP no HD1:sc= -3.66! C(o=-6.4!,f=-3.8!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.601 USER MOD Set 2.2: A 15 SER OG : rot -170:sc= -0.134 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= -0.173 X(o=-0.17,f=-0.2) USER MOD Single : A 22 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 23 SER OG : rot 89:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.163) USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.029) USER MOD Single : A 34 SER OG : rot -30:sc= 0.411 USER MOD Single : A 35 SER OG : rot 28:sc= 0.323 USER MOD Single : A 37 ASN : amide:sc= -3.72 K(o=-3.7,f=-15!) USER MOD Single : A 42 SER OG : rot -64:sc= -0.403! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.361) USER MOD Single : A 45 CYS SG : rot 146:sc= 0.445 USER MOD Single : A 46 SER OG : rot -106:sc= 0.551 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.0374 (180deg=-0.713) USER MOD Single : A 51 THR OG1 : rot 22:sc= -1.49 USER MOD Single : A 52 MET CE :methyl -158:sc= -0.184 (180deg=-0.668) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -107:sc= 0.294 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.139) 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 -13.669 10.962 -2.313 1.00 0.00 N ATOM 164 CA LYS A 12 -13.000 9.963 -3.200 1.00 0.00 C ATOM 165 C LYS A 12 -13.940 8.784 -3.470 1.00 0.00 C ATOM 166 O LYS A 12 -15.122 8.847 -3.190 1.00 0.00 O ATOM 167 CB LYS A 12 -11.769 9.503 -2.420 1.00 0.00 C ATOM 168 CG LYS A 12 -10.769 10.657 -2.315 1.00 0.00 C ATOM 169 CD LYS A 12 -9.832 10.415 -1.131 1.00 0.00 C ATOM 170 CE LYS A 12 -10.469 10.962 0.148 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.335 11.146 1.095 1.00 0.00 N ATOM 0 HA LYS A 12 -12.733 10.383 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.060 9.169 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.307 8.652 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.193 10.738 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.299 11.601 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.634 9.349 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.873 10.901 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.984 11.904 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.209 10.269 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.693 11.519 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.868 10.231 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.650 11.816 0.691 1.00 0.00 H new ATOM 185 N MET A 13 -13.420 7.713 -4.011 1.00 0.00 N ATOM 186 CA MET A 13 -14.274 6.523 -4.303 1.00 0.00 C ATOM 187 C MET A 13 -13.601 5.250 -3.784 1.00 0.00 C ATOM 188 O MET A 13 -12.521 4.889 -4.213 1.00 0.00 O ATOM 189 CB MET A 13 -14.392 6.484 -5.826 1.00 0.00 C ATOM 190 CG MET A 13 -15.263 7.649 -6.302 1.00 0.00 C ATOM 191 SD MET A 13 -15.529 7.513 -8.087 1.00 0.00 S ATOM 192 CE MET A 13 -15.284 9.261 -8.486 1.00 0.00 C ATOM 0 H MET A 13 -12.437 7.611 -4.264 1.00 0.00 H new ATOM 0 HA MET A 13 -15.249 6.586 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.403 6.547 -6.279 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.828 5.537 -6.143 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.219 7.639 -5.779 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.781 8.598 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.404 9.410 -9.559 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.019 9.863 -7.952 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.281 9.565 -8.188 1.00 0.00 H new ATOM 202 N SER A 14 -14.234 4.570 -2.862 1.00 0.00 N ATOM 203 CA SER A 14 -13.640 3.318 -2.306 1.00 0.00 C ATOM 204 C SER A 14 -14.112 2.104 -3.112 1.00 0.00 C ATOM 205 O SER A 14 -14.877 2.232 -4.049 1.00 0.00 O ATOM 206 CB SER A 14 -14.155 3.245 -0.868 1.00 0.00 C ATOM 207 OG SER A 14 -14.011 1.917 -0.381 1.00 0.00 O ATOM 0 H SER A 14 -15.139 4.829 -2.470 1.00 0.00 H new ATOM 0 HA SER A 14 -12.551 3.320 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.600 3.938 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.202 3.547 -0.829 1.00 0.00 H new ATOM 0 HG SER A 14 -14.339 1.869 0.541 1.00 0.00 H new ATOM 213 N SER A 15 -13.658 0.931 -2.753 1.00 0.00 N ATOM 214 CA SER A 15 -14.075 -0.300 -3.495 1.00 0.00 C ATOM 215 C SER A 15 -15.555 -0.600 -3.239 1.00 0.00 C ATOM 216 O SER A 15 -16.225 -1.194 -4.062 1.00 0.00 O ATOM 217 CB SER A 15 -13.197 -1.422 -2.940 1.00 0.00 C ATOM 218 OG SER A 15 -13.384 -1.510 -1.533 1.00 0.00 O ATOM 0 H SER A 15 -13.016 0.771 -1.977 1.00 0.00 H new ATOM 0 HA SER A 15 -13.956 -0.187 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.455 -2.370 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.149 -1.227 -3.168 1.00 0.00 H new ATOM 0 HG SER A 15 -12.714 -2.114 -1.151 1.00 0.00 H new ATOM 224 N TYR A 16 -16.066 -0.192 -2.105 1.00 0.00 N ATOM 225 CA TYR A 16 -17.505 -0.453 -1.788 1.00 0.00 C ATOM 226 C TYR A 16 -18.407 0.214 -2.832 1.00 0.00 C ATOM 227 O TYR A 16 -19.503 -0.243 -3.098 1.00 0.00 O ATOM 228 CB TYR A 16 -17.736 0.167 -0.409 1.00 0.00 C ATOM 229 CG TYR A 16 -19.004 -0.393 0.189 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.984 -1.637 0.831 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.199 0.330 0.102 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.161 -2.158 1.384 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.375 -0.190 0.656 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.356 -1.435 1.297 1.00 0.00 C ATOM 235 OH TYR A 16 -22.514 -1.948 1.843 1.00 0.00 O ATOM 0 H TYR A 16 -15.549 0.311 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.738 -1.518 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.889 -0.045 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.809 1.251 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.062 -2.195 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.214 1.290 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.146 -3.118 1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.297 0.369 0.589 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.251 -1.319 1.696 1.00 0.00 H new ATOM 245 N ALA A 17 -17.950 1.289 -3.423 1.00 0.00 N ATOM 246 CA ALA A 17 -18.776 1.991 -4.452 1.00 0.00 C ATOM 247 C ALA A 17 -18.715 1.236 -5.783 1.00 0.00 C ATOM 248 O ALA A 17 -19.647 1.267 -6.565 1.00 0.00 O ATOM 249 CB ALA A 17 -18.146 3.378 -4.594 1.00 0.00 C ATOM 0 H ALA A 17 -17.040 1.711 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.826 2.050 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.699 3.955 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.180 3.893 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.109 3.276 -4.915 1.00 0.00 H new ATOM 255 N PHE A 18 -17.626 0.559 -6.040 1.00 0.00 N ATOM 256 CA PHE A 18 -17.496 -0.204 -7.318 1.00 0.00 C ATOM 257 C PHE A 18 -18.184 -1.566 -7.192 1.00 0.00 C ATOM 258 O PHE A 18 -18.663 -2.120 -8.164 1.00 0.00 O ATOM 259 CB PHE A 18 -15.991 -0.380 -7.524 1.00 0.00 C ATOM 260 CG PHE A 18 -15.427 0.855 -8.188 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.326 2.052 -7.470 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.005 0.801 -9.522 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.804 3.195 -8.085 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.483 1.944 -10.138 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.383 3.142 -9.419 1.00 0.00 C ATOM 0 H PHE A 18 -16.819 0.501 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.964 0.312 -8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.499 -0.548 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.797 -1.258 -8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.651 2.093 -6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.082 -0.123 -10.076 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.726 4.118 -7.530 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.158 1.902 -11.167 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.981 4.025 -9.894 1.00 0.00 H new ATOM 275 N PHE A 19 -18.235 -2.105 -5.999 1.00 0.00 N ATOM 276 CA PHE A 19 -18.893 -3.434 -5.801 1.00 0.00 C ATOM 277 C PHE A 19 -20.396 -3.321 -6.072 1.00 0.00 C ATOM 278 O PHE A 19 -20.941 -4.027 -6.900 1.00 0.00 O ATOM 279 CB PHE A 19 -18.639 -3.796 -4.336 1.00 0.00 C ATOM 280 CG PHE A 19 -19.034 -5.234 -4.097 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.234 -6.271 -4.588 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.201 -5.528 -3.383 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.601 -7.603 -4.366 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.568 -6.860 -3.161 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.768 -7.898 -3.651 1.00 0.00 C ATOM 0 H PHE A 19 -17.850 -1.683 -5.154 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.500 -4.192 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.587 -3.651 -4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.211 -3.137 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.333 -6.044 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.818 -4.727 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.984 -8.404 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.469 -7.087 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.050 -8.926 -3.478 1.00 0.00 H new ATOM 295 N VAL A 20 -21.066 -2.433 -5.382 1.00 0.00 N ATOM 296 CA VAL A 20 -22.537 -2.264 -5.597 1.00 0.00 C ATOM 297 C VAL A 20 -22.801 -1.765 -7.023 1.00 0.00 C ATOM 298 O VAL A 20 -23.837 -2.037 -7.600 1.00 0.00 O ATOM 299 CB VAL A 20 -22.980 -1.220 -4.564 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.479 -0.942 -4.710 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.700 -1.751 -3.156 1.00 0.00 C ATOM 0 H VAL A 20 -20.658 -1.817 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.084 -3.199 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.426 -0.296 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.785 -0.200 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.683 -0.564 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.037 -1.864 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.014 -1.011 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.254 -2.677 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.633 -1.943 -3.045 1.00 0.00 H new ATOM 311 N GLN A 21 -21.870 -1.042 -7.590 1.00 0.00 N ATOM 312 CA GLN A 21 -22.060 -0.523 -8.980 1.00 0.00 C ATOM 313 C GLN A 21 -21.962 -1.671 -9.990 1.00 0.00 C ATOM 314 O GLN A 21 -22.794 -1.808 -10.866 1.00 0.00 O ATOM 315 CB GLN A 21 -20.923 0.478 -9.197 1.00 0.00 C ATOM 316 CG GLN A 21 -21.344 1.849 -8.667 1.00 0.00 C ATOM 317 CD GLN A 21 -22.411 2.448 -9.586 1.00 0.00 C ATOM 318 OE1 GLN A 21 -23.567 2.525 -9.223 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.067 2.877 -10.769 1.00 0.00 N ATOM 0 H GLN A 21 -20.985 -0.788 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 21 -23.038 -0.060 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.023 0.139 -8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.680 0.545 -10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.734 1.754 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.480 2.512 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -21.095 2.812 -11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -22.770 3.278 -11.390 1.00 0.00 H new ATOM 328 N THR A 22 -20.952 -2.495 -9.868 1.00 0.00 N ATOM 329 CA THR A 22 -20.794 -3.640 -10.819 1.00 0.00 C ATOM 330 C THR A 22 -21.949 -4.629 -10.651 1.00 0.00 C ATOM 331 O THR A 22 -22.340 -5.304 -11.585 1.00 0.00 O ATOM 332 CB THR A 22 -19.464 -4.298 -10.441 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.440 -3.315 -10.422 1.00 0.00 O ATOM 334 CG2 THR A 22 -19.118 -5.379 -11.466 1.00 0.00 C ATOM 0 H THR A 22 -20.229 -2.425 -9.151 1.00 0.00 H new ATOM 0 HA THR A 22 -20.802 -3.314 -11.859 1.00 0.00 H new ATOM 0 HB THR A 22 -19.550 -4.752 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.318 -2.988 -9.506 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.171 -5.847 -11.196 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.905 -6.133 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.031 -4.928 -12.455 1.00 0.00 H new ATOM 342 N SER A 23 -22.497 -4.718 -9.465 1.00 0.00 N ATOM 343 CA SER A 23 -23.629 -5.662 -9.226 1.00 0.00 C ATOM 344 C SER A 23 -24.957 -5.013 -9.629 1.00 0.00 C ATOM 345 O SER A 23 -25.897 -5.689 -10.002 1.00 0.00 O ATOM 346 CB SER A 23 -23.602 -5.939 -7.723 1.00 0.00 C ATOM 347 OG SER A 23 -22.298 -6.362 -7.347 1.00 0.00 O ATOM 0 H SER A 23 -22.208 -4.176 -8.651 1.00 0.00 H new ATOM 0 HA SER A 23 -23.534 -6.576 -9.812 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.879 -5.041 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.333 -6.707 -7.470 1.00 0.00 H new ATOM 0 HG SER A 23 -21.753 -5.580 -7.122 1.00 0.00 H new ATOM 353 N ARG A 24 -25.036 -3.708 -9.557 1.00 0.00 N ATOM 354 CA ARG A 24 -26.302 -3.008 -9.936 1.00 0.00 C ATOM 355 C ARG A 24 -26.479 -3.026 -11.457 1.00 0.00 C ATOM 356 O ARG A 24 -27.573 -3.194 -11.959 1.00 0.00 O ATOM 357 CB ARG A 24 -26.133 -1.573 -9.433 1.00 0.00 C ATOM 358 CG ARG A 24 -27.437 -0.801 -9.645 1.00 0.00 C ATOM 359 CD ARG A 24 -27.568 0.284 -8.574 1.00 0.00 C ATOM 360 NE ARG A 24 -28.163 1.452 -9.281 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.254 2.004 -8.825 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.311 2.411 -7.586 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.288 2.147 -9.608 1.00 0.00 N ATOM 0 H ARG A 24 -24.279 -3.097 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.182 -3.487 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.867 -1.576 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.317 -1.083 -9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.448 -0.350 -10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.287 -1.481 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.204 -0.046 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.598 0.534 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 24 -27.718 1.820 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.503 2.298 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -30.164 2.842 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -30.243 1.827 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.141 2.578 -9.252 1.00 0.00 H new ATOM 377 N GLU A 25 -25.407 -2.854 -12.188 1.00 0.00 N ATOM 378 CA GLU A 25 -25.504 -2.860 -13.680 1.00 0.00 C ATOM 379 C GLU A 25 -26.009 -4.220 -14.168 1.00 0.00 C ATOM 380 O GLU A 25 -26.987 -4.306 -14.887 1.00 0.00 O ATOM 381 CB GLU A 25 -24.080 -2.609 -14.179 1.00 0.00 C ATOM 382 CG GLU A 25 -23.698 -1.152 -13.916 1.00 0.00 C ATOM 383 CD GLU A 25 -22.673 -0.696 -14.954 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.493 -0.908 -14.726 1.00 0.00 O ATOM 385 OE2 GLU A 25 -23.084 -0.143 -15.961 1.00 0.00 O ATOM 0 H GLU A 25 -24.468 -2.710 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.200 -2.107 -14.049 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.383 -3.276 -13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.013 -2.827 -15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.584 -0.519 -13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.285 -1.049 -12.913 1.00 0.00 H new ATOM 392 N GLU A 26 -25.348 -5.281 -13.779 1.00 0.00 N ATOM 393 CA GLU A 26 -25.786 -6.644 -14.214 1.00 0.00 C ATOM 394 C GLU A 26 -27.207 -6.927 -13.716 1.00 0.00 C ATOM 395 O GLU A 26 -27.949 -7.668 -14.328 1.00 0.00 O ATOM 396 CB GLU A 26 -24.791 -7.612 -13.571 1.00 0.00 C ATOM 397 CG GLU A 26 -25.075 -9.035 -14.055 1.00 0.00 C ATOM 398 CD GLU A 26 -24.564 -9.199 -15.488 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.358 -9.262 -15.661 1.00 0.00 O ATOM 400 OE2 GLU A 26 -25.387 -9.258 -16.387 1.00 0.00 O ATOM 0 H GLU A 26 -24.524 -5.263 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.802 -6.742 -15.299 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.771 -7.326 -13.829 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.871 -7.564 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.589 -9.757 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -26.145 -9.238 -14.014 1.00 0.00 H new ATOM 407 N HIS A 27 -27.585 -6.335 -12.611 1.00 0.00 N ATOM 408 CA HIS A 27 -28.961 -6.559 -12.060 1.00 0.00 C ATOM 409 C HIS A 27 -30.006 -5.901 -12.967 1.00 0.00 C ATOM 410 O HIS A 27 -31.097 -6.410 -13.137 1.00 0.00 O ATOM 411 CB HIS A 27 -28.949 -5.889 -10.683 1.00 0.00 C ATOM 412 CG HIS A 27 -30.255 -6.145 -9.985 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.464 -5.496 -10.031 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.424 -7.197 -9.098 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.371 -6.132 -9.188 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.692 -7.150 -8.651 1.00 0.00 N flip ATOM 0 H HIS A 27 -27.000 -5.704 -12.064 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.215 -7.617 -11.997 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.124 -6.277 -10.086 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.787 -4.816 -10.791 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.674 -7.922 -8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.401 -5.861 -9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.087 -7.812 -7.983 1.00 0.00 H new ATOM 424 N LYS A 28 -29.677 -4.774 -13.546 1.00 0.00 N ATOM 425 CA LYS A 28 -30.651 -4.074 -14.443 1.00 0.00 C ATOM 426 C LYS A 28 -30.962 -4.937 -15.670 1.00 0.00 C ATOM 427 O LYS A 28 -32.100 -5.285 -15.921 1.00 0.00 O ATOM 428 CB LYS A 28 -29.953 -2.778 -14.862 1.00 0.00 C ATOM 429 CG LYS A 28 -30.099 -1.738 -13.750 1.00 0.00 C ATOM 430 CD LYS A 28 -29.550 -0.393 -14.232 1.00 0.00 C ATOM 431 CE LYS A 28 -30.629 0.344 -15.028 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.498 0.981 -14.000 1.00 0.00 N ATOM 0 H LYS A 28 -28.777 -4.307 -13.437 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.600 -3.881 -13.943 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.898 -2.968 -15.061 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.388 -2.400 -15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.147 -1.635 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.561 -2.064 -12.860 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.236 0.210 -13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -28.668 -0.550 -14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -30.190 1.090 -15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.197 -0.344 -15.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -32.492 0.917 -14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.377 0.491 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -31.232 1.981 -13.892 1.00 0.00 H new ATOM 446 N LYS A 29 -29.956 -5.282 -16.436 1.00 0.00 N ATOM 447 CA LYS A 29 -30.186 -6.123 -17.655 1.00 0.00 C ATOM 448 C LYS A 29 -30.838 -7.458 -17.272 1.00 0.00 C ATOM 449 O LYS A 29 -31.506 -8.082 -18.074 1.00 0.00 O ATOM 450 CB LYS A 29 -28.795 -6.359 -18.249 1.00 0.00 C ATOM 451 CG LYS A 29 -28.228 -5.035 -18.764 1.00 0.00 C ATOM 452 CD LYS A 29 -26.715 -5.166 -18.951 1.00 0.00 C ATOM 453 CE LYS A 29 -26.187 -3.946 -19.710 1.00 0.00 C ATOM 454 NZ LYS A 29 -26.082 -2.872 -18.683 1.00 0.00 N ATOM 0 H LYS A 29 -28.985 -5.018 -16.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.856 -5.636 -18.364 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.132 -6.781 -17.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.853 -7.083 -19.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.700 -4.768 -19.709 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.450 -4.233 -18.059 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.223 -5.245 -17.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.483 -6.078 -19.501 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.219 -4.153 -20.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.863 -3.658 -20.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -26.504 -1.996 -19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -26.587 -3.164 -17.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.081 -2.705 -18.457 1.00 0.00 H new ATOM 468 N LYS A 30 -30.645 -7.895 -16.054 1.00 0.00 N ATOM 469 CA LYS A 30 -31.242 -9.181 -15.603 1.00 0.00 C ATOM 470 C LYS A 30 -32.621 -8.915 -14.962 1.00 0.00 C ATOM 471 O LYS A 30 -33.451 -9.801 -14.881 1.00 0.00 O ATOM 472 CB LYS A 30 -30.192 -9.711 -14.607 1.00 0.00 C ATOM 473 CG LYS A 30 -30.786 -10.714 -13.614 1.00 0.00 C ATOM 474 CD LYS A 30 -29.950 -11.998 -13.596 1.00 0.00 C ATOM 475 CE LYS A 30 -30.522 -12.965 -12.557 1.00 0.00 C ATOM 476 NZ LYS A 30 -29.958 -12.510 -11.256 1.00 0.00 N ATOM 0 H LYS A 30 -30.093 -7.408 -15.348 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.440 -9.904 -16.394 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -29.380 -10.186 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.759 -8.874 -14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.815 -10.276 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.815 -10.945 -13.890 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.956 -12.462 -14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.912 -11.765 -13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -31.612 -12.935 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.234 -13.994 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -30.698 -12.544 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.172 -13.133 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -29.609 -11.535 -11.351 1.00 0.00 H new ATOM 490 N HIS A 31 -32.870 -7.706 -14.519 1.00 0.00 N ATOM 491 CA HIS A 31 -34.192 -7.388 -13.897 1.00 0.00 C ATOM 492 C HIS A 31 -34.764 -6.098 -14.506 1.00 0.00 C ATOM 493 O HIS A 31 -34.565 -5.028 -13.965 1.00 0.00 O ATOM 494 CB HIS A 31 -33.899 -7.198 -12.409 1.00 0.00 C ATOM 495 CG HIS A 31 -33.365 -8.480 -11.832 1.00 0.00 C ATOM 496 ND1 HIS A 31 -32.181 -8.782 -11.208 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -34.090 -9.660 -11.854 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -32.171 -10.122 -10.843 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -33.341 -10.605 -11.258 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.214 -6.926 -14.562 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.928 -8.174 -14.066 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.175 -6.395 -12.270 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.807 -6.902 -11.884 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -35.076 -9.796 -12.273 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.384 -10.657 -10.333 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -33.634 -11.575 -11.138 1.00 0.00 H new ATOM 507 N PRO A 32 -35.455 -6.232 -15.619 1.00 0.00 N ATOM 508 CA PRO A 32 -36.041 -5.042 -16.287 1.00 0.00 C ATOM 509 C PRO A 32 -37.260 -4.529 -15.513 1.00 0.00 C ATOM 510 O PRO A 32 -37.565 -3.351 -15.537 1.00 0.00 O ATOM 511 CB PRO A 32 -36.458 -5.567 -17.658 1.00 0.00 C ATOM 512 CG PRO A 32 -36.665 -7.036 -17.468 1.00 0.00 C ATOM 513 CD PRO A 32 -35.751 -7.474 -16.353 1.00 0.00 C ATOM 0 HA PRO A 32 -35.345 -4.205 -16.345 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.371 -5.082 -18.005 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.689 -5.371 -18.405 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.705 -7.249 -17.219 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.439 -7.578 -18.386 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.232 -8.211 -15.710 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.842 -7.934 -16.741 1.00 0.00 H new ATOM 521 N ASP A 33 -37.960 -5.403 -14.834 1.00 0.00 N ATOM 522 CA ASP A 33 -39.165 -4.969 -14.064 1.00 0.00 C ATOM 523 C ASP A 33 -39.035 -5.373 -12.592 1.00 0.00 C ATOM 524 O ASP A 33 -39.696 -6.284 -12.128 1.00 0.00 O ATOM 525 CB ASP A 33 -40.337 -5.696 -14.723 1.00 0.00 C ATOM 526 CG ASP A 33 -41.647 -5.003 -14.344 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.813 -3.852 -14.713 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.462 -5.634 -13.691 1.00 0.00 O ATOM 0 H ASP A 33 -37.748 -6.399 -14.780 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.296 -3.887 -14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.215 -5.698 -15.806 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.359 -6.738 -14.403 1.00 0.00 H new ATOM 533 N SER A 34 -38.189 -4.697 -11.857 1.00 0.00 N ATOM 534 CA SER A 34 -38.009 -5.029 -10.412 1.00 0.00 C ATOM 535 C SER A 34 -37.377 -3.845 -9.674 1.00 0.00 C ATOM 536 O SER A 34 -36.426 -3.249 -10.144 1.00 0.00 O ATOM 537 CB SER A 34 -37.065 -6.231 -10.391 1.00 0.00 C ATOM 538 OG SER A 34 -37.585 -7.255 -11.229 1.00 0.00 O ATOM 0 H SER A 34 -37.613 -3.927 -12.197 1.00 0.00 H new ATOM 0 HA SER A 34 -38.957 -5.247 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.073 -5.935 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.953 -6.602 -9.372 1.00 0.00 H new ATOM 0 HG SER A 34 -38.563 -7.201 -11.242 1.00 0.00 H new ATOM 544 N SER A 35 -37.898 -3.505 -8.522 1.00 0.00 N ATOM 545 CA SER A 35 -37.331 -2.363 -7.747 1.00 0.00 C ATOM 546 C SER A 35 -36.102 -2.824 -6.957 1.00 0.00 C ATOM 547 O SER A 35 -36.133 -3.839 -6.287 1.00 0.00 O ATOM 548 CB SER A 35 -38.449 -1.929 -6.799 1.00 0.00 C ATOM 549 OG SER A 35 -38.867 -3.046 -6.026 1.00 0.00 O ATOM 0 H SER A 35 -38.693 -3.971 -8.085 1.00 0.00 H new ATOM 0 HA SER A 35 -37.008 -1.545 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.098 -1.130 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 -39.289 -1.530 -7.367 1.00 0.00 H new ATOM 0 HG SER A 35 -38.122 -3.675 -5.931 1.00 0.00 H new ATOM 555 N VAL A 36 -35.025 -2.084 -7.033 1.00 0.00 N ATOM 556 CA VAL A 36 -33.790 -2.475 -6.289 1.00 0.00 C ATOM 557 C VAL A 36 -33.060 -1.230 -5.772 1.00 0.00 C ATOM 558 O VAL A 36 -31.964 -0.922 -6.202 1.00 0.00 O ATOM 559 CB VAL A 36 -32.934 -3.234 -7.314 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.562 -2.311 -8.479 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.656 -3.735 -6.638 1.00 0.00 C ATOM 0 H VAL A 36 -34.948 -1.226 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.008 -3.087 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.506 -4.079 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.955 -2.860 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.470 -1.956 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.996 -1.459 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -31.047 -4.274 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -31.092 -2.886 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.917 -4.402 -5.817 1.00 0.00 H new ATOM 571 N ASN A 37 -33.655 -0.517 -4.845 1.00 0.00 N ATOM 572 CA ASN A 37 -32.987 0.704 -4.294 1.00 0.00 C ATOM 573 C ASN A 37 -31.649 0.314 -3.656 1.00 0.00 C ATOM 574 O ASN A 37 -31.168 -0.787 -3.849 1.00 0.00 O ATOM 575 CB ASN A 37 -33.954 1.274 -3.249 1.00 0.00 C ATOM 576 CG ASN A 37 -34.240 0.227 -2.170 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.413 -0.022 -1.316 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.386 -0.397 -2.172 1.00 0.00 N ATOM 0 H ASN A 37 -34.571 -0.727 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.771 1.443 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -33.526 2.168 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.885 1.576 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.588 -1.095 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.080 -0.187 -2.890 1.00 0.00 H new ATOM 585 N PHE A 38 -31.042 1.202 -2.910 1.00 0.00 N ATOM 586 CA PHE A 38 -29.731 0.861 -2.283 1.00 0.00 C ATOM 587 C PHE A 38 -29.913 -0.159 -1.161 1.00 0.00 C ATOM 588 O PHE A 38 -29.124 -1.061 -1.023 1.00 0.00 O ATOM 589 CB PHE A 38 -29.177 2.171 -1.724 1.00 0.00 C ATOM 590 CG PHE A 38 -28.967 3.150 -2.852 1.00 0.00 C ATOM 591 CD1 PHE A 38 -27.801 3.084 -3.623 1.00 0.00 C ATOM 592 CD2 PHE A 38 -29.936 4.122 -3.130 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.602 3.987 -4.672 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.738 5.026 -4.181 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.570 4.958 -4.952 1.00 0.00 C ATOM 0 H PHE A 38 -31.393 2.138 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.053 0.415 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.868 2.587 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.235 1.989 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.054 2.335 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.835 4.174 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -26.701 3.935 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.485 5.775 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.417 5.655 -5.763 1.00 0.00 H new ATOM 605 N ALA A 39 -30.933 -0.023 -0.352 1.00 0.00 N ATOM 606 CA ALA A 39 -31.128 -0.998 0.769 1.00 0.00 C ATOM 607 C ALA A 39 -31.590 -2.353 0.241 1.00 0.00 C ATOM 608 O ALA A 39 -31.094 -3.383 0.655 1.00 0.00 O ATOM 609 CB ALA A 39 -32.189 -0.375 1.676 1.00 0.00 C ATOM 0 H ALA A 39 -31.635 0.714 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.198 -1.181 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.381 -1.038 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.833 0.587 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.110 -0.230 1.112 1.00 0.00 H new ATOM 615 N GLU A 40 -32.520 -2.364 -0.676 1.00 0.00 N ATOM 616 CA GLU A 40 -32.992 -3.666 -1.235 1.00 0.00 C ATOM 617 C GLU A 40 -31.833 -4.391 -1.933 1.00 0.00 C ATOM 618 O GLU A 40 -31.912 -5.575 -2.200 1.00 0.00 O ATOM 619 CB GLU A 40 -34.087 -3.305 -2.243 1.00 0.00 C ATOM 620 CG GLU A 40 -35.464 -3.560 -1.623 1.00 0.00 C ATOM 621 CD GLU A 40 -36.554 -3.199 -2.633 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.681 -3.908 -3.618 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.243 -2.219 -2.406 1.00 0.00 O ATOM 0 H GLU A 40 -32.971 -1.534 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.366 -4.334 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.997 -2.258 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.970 -3.899 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.555 -4.607 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.582 -2.966 -0.717 1.00 0.00 H new ATOM 630 N PHE A 41 -30.763 -3.689 -2.241 1.00 0.00 N ATOM 631 CA PHE A 41 -29.614 -4.342 -2.928 1.00 0.00 C ATOM 632 C PHE A 41 -28.383 -4.405 -2.015 1.00 0.00 C ATOM 633 O PHE A 41 -27.755 -5.438 -1.879 1.00 0.00 O ATOM 634 CB PHE A 41 -29.347 -3.464 -4.149 1.00 0.00 C ATOM 635 CG PHE A 41 -28.471 -4.207 -5.129 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.904 -5.422 -5.673 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.228 -3.677 -5.495 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.092 -6.108 -6.584 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.417 -4.364 -6.405 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.848 -5.579 -6.949 1.00 0.00 C ATOM 0 H PHE A 41 -30.643 -2.695 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.833 -5.374 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.289 -3.189 -4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.862 -2.537 -3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.863 -5.830 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.895 -2.739 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.425 -7.045 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.458 -3.956 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.221 -6.109 -7.651 1.00 0.00 H new ATOM 650 N SER A 42 -28.036 -3.310 -1.388 1.00 0.00 N ATOM 651 CA SER A 42 -26.845 -3.295 -0.476 1.00 0.00 C ATOM 652 C SER A 42 -26.986 -4.374 0.605 1.00 0.00 C ATOM 653 O SER A 42 -26.008 -4.841 1.157 1.00 0.00 O ATOM 654 CB SER A 42 -26.841 -1.899 0.152 1.00 0.00 C ATOM 655 OG SER A 42 -27.939 -1.784 1.048 1.00 0.00 O ATOM 0 H SER A 42 -28.527 -2.420 -1.467 1.00 0.00 H new ATOM 0 HA SER A 42 -25.917 -3.504 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.904 -1.729 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.910 -1.138 -0.625 1.00 0.00 H new ATOM 0 HG SER A 42 -28.779 -1.857 0.548 1.00 0.00 H new ATOM 661 N LYS A 43 -28.199 -4.775 0.901 1.00 0.00 N ATOM 662 CA LYS A 43 -28.412 -5.830 1.936 1.00 0.00 C ATOM 663 C LYS A 43 -27.889 -7.176 1.424 1.00 0.00 C ATOM 664 O LYS A 43 -27.475 -8.024 2.192 1.00 0.00 O ATOM 665 CB LYS A 43 -29.931 -5.888 2.142 1.00 0.00 C ATOM 666 CG LYS A 43 -30.302 -5.170 3.443 1.00 0.00 C ATOM 667 CD LYS A 43 -30.153 -6.135 4.620 1.00 0.00 C ATOM 668 CE LYS A 43 -31.433 -6.957 4.772 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.044 -8.122 5.614 1.00 0.00 N ATOM 0 H LYS A 43 -29.050 -4.416 0.469 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.885 -5.612 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.440 -5.421 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.263 -6.925 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.659 -4.302 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -31.327 -4.802 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -29.301 -6.796 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -29.954 -5.579 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.223 -6.374 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.813 -7.280 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.871 -8.734 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -30.295 -8.662 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.693 -7.784 6.533 1.00 0.00 H new ATOM 683 N LYS A 44 -27.906 -7.374 0.129 1.00 0.00 N ATOM 684 CA LYS A 44 -27.414 -8.660 -0.446 1.00 0.00 C ATOM 685 C LYS A 44 -25.923 -8.556 -0.782 1.00 0.00 C ATOM 686 O LYS A 44 -25.145 -9.436 -0.465 1.00 0.00 O ATOM 687 CB LYS A 44 -28.237 -8.866 -1.717 1.00 0.00 C ATOM 688 CG LYS A 44 -28.438 -10.363 -1.960 1.00 0.00 C ATOM 689 CD LYS A 44 -27.178 -10.950 -2.598 1.00 0.00 C ATOM 690 CE LYS A 44 -27.504 -12.312 -3.214 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.810 -13.195 -2.054 1.00 0.00 N ATOM 0 H LYS A 44 -28.241 -6.696 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.524 -9.491 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.203 -8.370 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.729 -8.414 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.652 -10.870 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.297 -10.524 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.797 -10.275 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.394 -11.056 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.353 -12.245 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.663 -12.696 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.744 -14.190 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.128 -13.013 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.773 -12.999 -1.713 1.00 0.00 H new ATOM 705 N CYS A 45 -25.522 -7.486 -1.423 1.00 0.00 N ATOM 706 CA CYS A 45 -24.080 -7.319 -1.783 1.00 0.00 C ATOM 707 C CYS A 45 -23.220 -7.290 -0.516 1.00 0.00 C ATOM 708 O CYS A 45 -22.067 -7.679 -0.530 1.00 0.00 O ATOM 709 CB CYS A 45 -23.997 -5.979 -2.521 1.00 0.00 C ATOM 710 SG CYS A 45 -24.753 -6.145 -4.157 1.00 0.00 S ATOM 0 H CYS A 45 -26.131 -6.721 -1.713 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.714 -8.140 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.508 -5.204 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.957 -5.669 -2.619 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.337 -5.029 -4.480 1.00 0.00 H new ATOM 716 N SER A 46 -23.776 -6.835 0.578 1.00 0.00 N ATOM 717 CA SER A 46 -22.995 -6.782 1.855 1.00 0.00 C ATOM 718 C SER A 46 -22.632 -8.199 2.306 1.00 0.00 C ATOM 719 O SER A 46 -21.536 -8.448 2.771 1.00 0.00 O ATOM 720 CB SER A 46 -23.926 -6.118 2.871 1.00 0.00 C ATOM 721 OG SER A 46 -25.199 -6.749 2.822 1.00 0.00 O ATOM 0 H SER A 46 -24.736 -6.498 0.644 1.00 0.00 H new ATOM 0 HA SER A 46 -22.061 -6.231 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.506 -6.198 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 46 -24.025 -5.055 2.651 1.00 0.00 H new ATOM 0 HG SER A 46 -25.841 -6.156 2.380 1.00 0.00 H new ATOM 727 N GLU A 47 -23.546 -9.125 2.171 1.00 0.00 N ATOM 728 CA GLU A 47 -23.261 -10.533 2.589 1.00 0.00 C ATOM 729 C GLU A 47 -22.130 -11.117 1.739 1.00 0.00 C ATOM 730 O GLU A 47 -21.393 -11.979 2.179 1.00 0.00 O ATOM 731 CB GLU A 47 -24.564 -11.299 2.349 1.00 0.00 C ATOM 732 CG GLU A 47 -25.477 -11.150 3.567 1.00 0.00 C ATOM 733 CD GLU A 47 -24.980 -12.058 4.693 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.199 -13.256 4.601 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.389 -11.543 5.627 1.00 0.00 O ATOM 0 H GLU A 47 -24.479 -8.968 1.789 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.943 -10.595 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.063 -10.918 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.351 -12.353 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.489 -10.112 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.501 -11.411 3.301 1.00 0.00 H new ATOM 742 N ARG A 48 -21.992 -10.654 0.522 1.00 0.00 N ATOM 743 CA ARG A 48 -20.911 -11.176 -0.367 1.00 0.00 C ATOM 744 C ARG A 48 -19.627 -10.365 -0.175 1.00 0.00 C ATOM 745 O ARG A 48 -18.545 -10.914 -0.086 1.00 0.00 O ATOM 746 CB ARG A 48 -21.449 -10.999 -1.788 1.00 0.00 C ATOM 747 CG ARG A 48 -22.226 -12.250 -2.201 1.00 0.00 C ATOM 748 CD ARG A 48 -22.550 -12.180 -3.694 1.00 0.00 C ATOM 749 NE ARG A 48 -22.535 -13.596 -4.158 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.900 -13.917 -5.252 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.611 -14.116 -5.224 1.00 0.00 N ATOM 752 NH2 ARG A 48 -22.555 -14.038 -6.374 1.00 0.00 N ATOM 0 H ARG A 48 -22.583 -9.935 0.105 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.664 -12.215 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.097 -10.124 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.626 -10.825 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.639 -13.143 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -23.146 -12.327 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -23.522 -11.719 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.814 -11.581 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 48 -23.021 -14.314 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.099 -14.021 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.115 -14.367 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.563 -13.882 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.059 -14.289 -7.229 1.00 0.00 H new ATOM 766 N TRP A 49 -19.742 -9.063 -0.109 1.00 0.00 N ATOM 767 CA TRP A 49 -18.529 -8.206 0.076 1.00 0.00 C ATOM 768 C TRP A 49 -17.835 -8.545 1.399 1.00 0.00 C ATOM 769 O TRP A 49 -16.639 -8.760 1.443 1.00 0.00 O ATOM 770 CB TRP A 49 -19.052 -6.767 0.100 1.00 0.00 C ATOM 771 CG TRP A 49 -17.898 -5.818 0.157 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.667 -4.936 1.156 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.817 -5.641 -0.803 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.514 -4.228 0.869 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.952 -4.627 -0.327 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.505 -6.257 -2.029 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.820 -4.237 -1.043 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.365 -5.866 -2.751 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.524 -4.859 -2.258 1.00 0.00 C ATOM 0 H TRP A 49 -20.624 -8.555 -0.175 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.796 -8.359 -0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.653 -6.572 -0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.701 -6.619 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.282 -4.806 2.034 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.126 -3.499 1.468 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.146 -7.035 -2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.176 -3.459 -0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.135 -6.344 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.648 -4.564 -2.817 1.00 0.00 H new ATOM 790 N LYS A 50 -18.580 -8.590 2.474 1.00 0.00 N ATOM 791 CA LYS A 50 -17.970 -8.911 3.801 1.00 0.00 C ATOM 792 C LYS A 50 -17.388 -10.329 3.796 1.00 0.00 C ATOM 793 O LYS A 50 -16.474 -10.633 4.540 1.00 0.00 O ATOM 794 CB LYS A 50 -19.117 -8.808 4.808 1.00 0.00 C ATOM 795 CG LYS A 50 -19.208 -7.373 5.338 1.00 0.00 C ATOM 796 CD LYS A 50 -20.335 -6.628 4.619 1.00 0.00 C ATOM 797 CE LYS A 50 -20.411 -5.191 5.140 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.150 -4.439 4.088 1.00 0.00 N ATOM 0 H LYS A 50 -19.585 -8.418 2.491 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.151 -8.234 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.057 -9.092 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.954 -9.501 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.393 -7.383 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.261 -6.857 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.157 -6.627 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.285 -7.137 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.931 -5.145 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.416 -4.775 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.716 -3.502 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.107 -4.964 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.143 -4.325 4.376 1.00 0.00 H new ATOM 812 N THR A 51 -17.913 -11.195 2.966 1.00 0.00 N ATOM 813 CA THR A 51 -17.395 -12.596 2.912 1.00 0.00 C ATOM 814 C THR A 51 -16.256 -12.710 1.892 1.00 0.00 C ATOM 815 O THR A 51 -15.402 -13.570 2.000 1.00 0.00 O ATOM 816 CB THR A 51 -18.591 -13.444 2.477 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.191 -12.858 1.330 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.614 -13.509 3.612 1.00 0.00 C ATOM 0 H THR A 51 -18.678 -10.992 2.323 1.00 0.00 H new ATOM 0 HA THR A 51 -16.990 -12.920 3.871 1.00 0.00 H new ATOM 0 HB THR A 51 -18.254 -14.453 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.538 -12.286 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.466 -14.114 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.153 -13.958 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.953 -12.502 3.854 1.00 0.00 H new ATOM 826 N MET A 52 -16.240 -11.850 0.903 1.00 0.00 N ATOM 827 CA MET A 52 -15.157 -11.908 -0.130 1.00 0.00 C ATOM 828 C MET A 52 -13.785 -11.725 0.526 1.00 0.00 C ATOM 829 O MET A 52 -13.572 -10.805 1.293 1.00 0.00 O ATOM 830 CB MET A 52 -15.446 -10.749 -1.088 1.00 0.00 C ATOM 831 CG MET A 52 -16.581 -11.141 -2.038 1.00 0.00 C ATOM 832 SD MET A 52 -15.891 -11.785 -3.584 1.00 0.00 S ATOM 833 CE MET A 52 -15.316 -10.203 -4.252 1.00 0.00 C ATOM 0 H MET A 52 -16.929 -11.111 0.766 1.00 0.00 H new ATOM 0 HA MET A 52 -15.140 -12.868 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.721 -9.858 -0.524 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.550 -10.502 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.215 -11.894 -1.570 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.211 -10.276 -2.243 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.213 -10.281 -5.334 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.038 -9.423 -4.011 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.350 -9.952 -3.813 1.00 0.00 H new ATOM 843 N SER A 53 -12.855 -12.595 0.225 1.00 0.00 N ATOM 844 CA SER A 53 -11.491 -12.479 0.823 1.00 0.00 C ATOM 845 C SER A 53 -10.680 -11.416 0.077 1.00 0.00 C ATOM 846 O SER A 53 -10.969 -11.089 -1.058 1.00 0.00 O ATOM 847 CB SER A 53 -10.857 -13.859 0.644 1.00 0.00 C ATOM 848 OG SER A 53 -11.536 -14.797 1.469 1.00 0.00 O ATOM 0 H SER A 53 -12.982 -13.383 -0.411 1.00 0.00 H new ATOM 0 HA SER A 53 -11.524 -12.181 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.915 -14.166 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.800 -13.824 0.907 1.00 0.00 H new ATOM 0 HG SER A 53 -11.134 -15.683 1.356 1.00 0.00 H new ATOM 854 N ALA A 54 -9.667 -10.874 0.709 1.00 0.00 N ATOM 855 CA ALA A 54 -8.826 -9.821 0.047 1.00 0.00 C ATOM 856 C ALA A 54 -8.348 -10.290 -1.334 1.00 0.00 C ATOM 857 O ALA A 54 -8.094 -9.489 -2.215 1.00 0.00 O ATOM 858 CB ALA A 54 -7.630 -9.618 0.981 1.00 0.00 C ATOM 0 H ALA A 54 -9.384 -11.115 1.659 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.387 -8.900 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.967 -8.860 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.983 -9.292 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.087 -10.557 1.086 1.00 0.00 H new ATOM 864 N LYS A 55 -8.232 -11.579 -1.525 1.00 0.00 N ATOM 865 CA LYS A 55 -7.780 -12.106 -2.848 1.00 0.00 C ATOM 866 C LYS A 55 -8.901 -11.960 -3.881 1.00 0.00 C ATOM 867 O LYS A 55 -8.652 -11.846 -5.067 1.00 0.00 O ATOM 868 CB LYS A 55 -7.462 -13.584 -2.605 1.00 0.00 C ATOM 869 CG LYS A 55 -6.095 -13.708 -1.933 1.00 0.00 C ATOM 870 CD LYS A 55 -5.595 -15.149 -2.051 1.00 0.00 C ATOM 871 CE LYS A 55 -4.924 -15.348 -3.412 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.891 -16.823 -3.612 1.00 0.00 N ATOM 0 H LYS A 55 -8.431 -12.290 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.916 -11.566 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.230 -14.034 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.465 -14.128 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.385 -13.026 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.167 -13.422 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.888 -15.366 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.427 -15.844 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.486 -14.854 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.919 -14.925 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.444 -17.040 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.344 -17.265 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.862 -17.196 -3.604 1.00 0.00 H new ATOM 886 N GLU A 56 -10.134 -11.961 -3.437 1.00 0.00 N ATOM 887 CA GLU A 56 -11.278 -11.821 -4.386 1.00 0.00 C ATOM 888 C GLU A 56 -11.634 -10.342 -4.572 1.00 0.00 C ATOM 889 O GLU A 56 -12.013 -9.920 -5.650 1.00 0.00 O ATOM 890 CB GLU A 56 -12.434 -12.571 -3.724 1.00 0.00 C ATOM 891 CG GLU A 56 -12.152 -14.075 -3.756 1.00 0.00 C ATOM 892 CD GLU A 56 -13.389 -14.837 -3.281 1.00 0.00 C ATOM 893 OE1 GLU A 56 -13.586 -14.918 -2.079 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.119 -15.328 -4.125 1.00 0.00 O ATOM 0 H GLU A 56 -10.396 -12.053 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.046 -12.218 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.557 -12.235 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.367 -12.354 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.887 -14.385 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.300 -14.310 -3.118 1.00 0.00 H new ATOM 901 N LYS A 57 -11.517 -9.555 -3.531 1.00 0.00 N ATOM 902 CA LYS A 57 -11.849 -8.103 -3.644 1.00 0.00 C ATOM 903 C LYS A 57 -10.580 -7.279 -3.914 1.00 0.00 C ATOM 904 O LYS A 57 -10.493 -6.122 -3.546 1.00 0.00 O ATOM 905 CB LYS A 57 -12.481 -7.728 -2.292 1.00 0.00 C ATOM 906 CG LYS A 57 -11.452 -7.838 -1.159 1.00 0.00 C ATOM 907 CD LYS A 57 -12.048 -7.265 0.128 1.00 0.00 C ATOM 908 CE LYS A 57 -11.123 -7.581 1.306 1.00 0.00 C ATOM 909 NZ LYS A 57 -11.629 -6.741 2.427 1.00 0.00 N ATOM 0 H LYS A 57 -11.206 -9.857 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.527 -7.898 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.871 -6.711 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.326 -8.385 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.170 -8.880 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.544 -7.297 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.177 -6.187 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.036 -7.690 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.155 -8.640 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.086 -7.341 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.045 -6.902 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.580 -5.737 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.616 -6.996 2.634 1.00 0.00 H new ATOM 923 N SER A 58 -9.601 -7.869 -4.554 1.00 0.00 N ATOM 924 CA SER A 58 -8.339 -7.127 -4.850 1.00 0.00 C ATOM 925 C SER A 58 -8.530 -6.224 -6.071 1.00 0.00 C ATOM 926 O SER A 58 -7.903 -5.188 -6.191 1.00 0.00 O ATOM 927 CB SER A 58 -7.298 -8.209 -5.140 1.00 0.00 C ATOM 928 OG SER A 58 -7.792 -9.074 -6.155 1.00 0.00 O ATOM 0 H SER A 58 -9.622 -8.834 -4.884 1.00 0.00 H new ATOM 0 HA SER A 58 -8.036 -6.484 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.361 -7.753 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.084 -8.777 -4.234 1.00 0.00 H new ATOM 0 HG SER A 58 -8.047 -9.933 -5.757 1.00 0.00 H new ATOM 934 N LYS A 59 -9.393 -6.611 -6.977 1.00 0.00 N ATOM 935 CA LYS A 59 -9.633 -5.778 -8.194 1.00 0.00 C ATOM 936 C LYS A 59 -10.440 -4.530 -7.827 1.00 0.00 C ATOM 937 O LYS A 59 -10.315 -3.493 -8.452 1.00 0.00 O ATOM 938 CB LYS A 59 -10.432 -6.672 -9.144 1.00 0.00 C ATOM 939 CG LYS A 59 -10.407 -6.073 -10.552 1.00 0.00 C ATOM 940 CD LYS A 59 -11.572 -6.637 -11.368 1.00 0.00 C ATOM 941 CE LYS A 59 -11.254 -8.074 -11.786 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.155 -8.346 -12.941 1.00 0.00 N ATOM 0 H LYS A 59 -9.942 -7.469 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.703 -5.436 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.009 -7.676 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.460 -6.764 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.479 -4.987 -10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.461 -6.305 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.488 -6.613 -10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.744 -6.020 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.207 -8.181 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.437 -8.773 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.996 -9.315 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.145 -8.243 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.953 -7.670 -13.705 1.00 0.00 H new ATOM 956 N PHE A 60 -11.265 -4.625 -6.816 1.00 0.00 N ATOM 957 CA PHE A 60 -12.085 -3.449 -6.396 1.00 0.00 C ATOM 958 C PHE A 60 -11.251 -2.512 -5.517 1.00 0.00 C ATOM 959 O PHE A 60 -11.442 -1.311 -5.520 1.00 0.00 O ATOM 960 CB PHE A 60 -13.249 -4.039 -5.599 1.00 0.00 C ATOM 961 CG PHE A 60 -14.132 -4.846 -6.518 1.00 0.00 C ATOM 962 CD1 PHE A 60 -13.873 -6.208 -6.720 1.00 0.00 C ATOM 963 CD2 PHE A 60 -15.210 -4.235 -7.169 1.00 0.00 C ATOM 964 CE1 PHE A 60 -14.692 -6.956 -7.574 1.00 0.00 C ATOM 965 CE2 PHE A 60 -16.029 -4.985 -8.022 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.769 -6.345 -8.225 1.00 0.00 C ATOM 0 H PHE A 60 -11.406 -5.469 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.432 -2.862 -7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.870 -4.670 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.826 -3.240 -5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.042 -6.680 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.410 -3.185 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.492 -8.006 -7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.861 -4.514 -8.523 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.400 -6.923 -8.884 1.00 0.00 H new ATOM 976 N GLU A 61 -10.327 -3.058 -4.768 1.00 0.00 N ATOM 977 CA GLU A 61 -9.471 -2.208 -3.886 1.00 0.00 C ATOM 978 C GLU A 61 -8.392 -1.504 -4.714 1.00 0.00 C ATOM 979 O GLU A 61 -7.939 -0.429 -4.370 1.00 0.00 O ATOM 980 CB GLU A 61 -8.833 -3.181 -2.891 1.00 0.00 C ATOM 981 CG GLU A 61 -8.413 -2.421 -1.631 1.00 0.00 C ATOM 982 CD GLU A 61 -7.969 -3.417 -0.558 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.828 -4.086 -0.007 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.778 -3.492 -0.305 1.00 0.00 O ATOM 0 H GLU A 61 -10.128 -4.058 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.044 -1.429 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.540 -3.970 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.967 -3.664 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.600 -1.733 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.244 -1.820 -1.262 1.00 0.00 H new ATOM 991 N ASP A 62 -7.983 -2.105 -5.803 1.00 0.00 N ATOM 992 CA ASP A 62 -6.933 -1.476 -6.661 1.00 0.00 C ATOM 993 C ASP A 62 -7.550 -0.374 -7.528 1.00 0.00 C ATOM 994 O ASP A 62 -6.891 0.583 -7.889 1.00 0.00 O ATOM 995 CB ASP A 62 -6.400 -2.612 -7.537 1.00 0.00 C ATOM 996 CG ASP A 62 -5.062 -2.197 -8.152 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.112 -2.039 -7.404 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.010 -2.047 -9.362 1.00 0.00 O ATOM 0 H ASP A 62 -8.331 -3.004 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.142 -1.012 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.274 -3.516 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.117 -2.846 -8.324 1.00 0.00 H new ATOM 1003 N MET A 63 -8.809 -0.505 -7.860 1.00 0.00 N ATOM 1004 CA MET A 63 -9.478 0.531 -8.703 1.00 0.00 C ATOM 1005 C MET A 63 -9.881 1.731 -7.843 1.00 0.00 C ATOM 1006 O MET A 63 -9.933 2.853 -8.312 1.00 0.00 O ATOM 1007 CB MET A 63 -10.718 -0.158 -9.276 1.00 0.00 C ATOM 1008 CG MET A 63 -10.307 -1.073 -10.430 1.00 0.00 C ATOM 1009 SD MET A 63 -10.009 -0.078 -11.912 1.00 0.00 S ATOM 1010 CE MET A 63 -10.625 -1.278 -13.119 1.00 0.00 C ATOM 0 H MET A 63 -9.403 -1.286 -7.583 1.00 0.00 H new ATOM 0 HA MET A 63 -8.823 0.907 -9.489 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.217 -0.737 -8.499 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.432 0.588 -9.626 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.407 -1.629 -10.165 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.090 -1.807 -10.623 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.534 -0.864 -14.123 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.040 -2.195 -13.051 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.672 -1.499 -12.911 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.165 1.500 -6.586 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.565 2.624 -5.685 1.00 0.00 C ATOM 1022 C ALA A 64 -9.332 3.428 -5.267 1.00 0.00 C ATOM 1023 O ALA A 64 -9.385 4.636 -5.136 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.206 1.953 -4.468 1.00 0.00 C ATOM 0 H ALA A 64 -10.137 0.581 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.249 3.319 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.527 2.716 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.069 1.369 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.480 1.296 -3.990 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.223 2.763 -5.059 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.977 3.483 -4.651 1.00 0.00 C ATOM 1032 C LYS A 65 -6.488 4.381 -5.790 1.00 0.00 C ATOM 1033 O LYS A 65 -5.865 5.401 -5.563 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.953 2.384 -4.357 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.794 2.969 -3.548 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.512 2.194 -3.860 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.595 0.798 -3.239 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.216 0.989 -1.812 1.00 0.00 N ATOM 0 H LYS A 65 -8.126 1.752 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.140 4.126 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.424 1.572 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.582 1.959 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.663 4.023 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.015 2.913 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.375 2.116 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.647 2.728 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.600 0.385 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.919 0.103 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.336 0.471 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.072 2.002 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.975 0.628 -1.200 1.00 0.00 H new ATOM 1052 N SER A 66 -6.769 4.006 -7.013 1.00 0.00 N ATOM 1053 CA SER A 66 -6.323 4.836 -8.176 1.00 0.00 C ATOM 1054 C SER A 66 -6.954 6.229 -8.103 1.00 0.00 C ATOM 1055 O SER A 66 -6.317 7.223 -8.395 1.00 0.00 O ATOM 1056 CB SER A 66 -6.817 4.090 -9.417 1.00 0.00 C ATOM 1057 OG SER A 66 -6.244 4.680 -10.577 1.00 0.00 O ATOM 0 H SER A 66 -7.287 3.162 -7.257 1.00 0.00 H new ATOM 0 HA SER A 66 -5.242 4.974 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.542 3.037 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.905 4.133 -9.472 1.00 0.00 H new ATOM 0 HG SER A 66 -6.557 4.204 -11.375 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.201 6.303 -7.712 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.884 7.628 -7.614 1.00 0.00 C ATOM 1065 C ASP A 67 -8.660 8.237 -6.227 1.00 0.00 C ATOM 1066 O ASP A 67 -8.649 9.443 -6.064 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.366 7.326 -7.834 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.619 7.068 -9.321 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.162 6.050 -9.811 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.267 7.894 -9.943 1.00 0.00 O ATOM 0 H ASP A 67 -8.777 5.501 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.502 8.345 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.662 6.456 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.974 8.163 -7.491 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.481 7.410 -5.227 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.257 7.934 -3.844 1.00 0.00 C ATOM 1077 C LYS A 68 -6.917 8.669 -3.768 1.00 0.00 C ATOM 1078 O LYS A 68 -6.763 9.621 -3.026 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.241 6.698 -2.942 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.781 7.068 -1.559 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.722 5.843 -0.643 1.00 0.00 C ATOM 1082 CE LYS A 68 -9.632 6.065 0.568 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.819 4.712 1.160 1.00 0.00 N ATOM 0 H LYS A 68 -8.480 6.393 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.028 8.644 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.848 5.906 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.226 6.311 -2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.194 7.882 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.808 7.425 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.036 4.953 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.697 5.671 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.177 6.750 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.586 6.501 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.433 4.781 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.260 4.084 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.895 4.325 1.439 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.947 8.232 -4.531 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.610 8.900 -4.509 1.00 0.00 C ATOM 1099 C ALA A 69 -4.636 10.161 -5.377 1.00 0.00 C ATOM 1100 O ALA A 69 -3.915 11.110 -5.127 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.640 7.870 -5.090 1.00 0.00 C ATOM 0 H ALA A 69 -6.023 7.440 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.320 9.210 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.633 8.287 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.650 6.972 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.945 7.616 -6.105 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.461 10.177 -6.392 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.539 11.377 -7.282 1.00 0.00 C ATOM 1109 C ARG A 70 -6.025 12.593 -6.488 1.00 0.00 C ATOM 1110 O ARG A 70 -5.692 13.721 -6.802 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.553 11.009 -8.368 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.267 11.822 -9.632 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.890 11.123 -10.842 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.210 11.722 -12.024 1.00 0.00 N ATOM 1115 CZ ARG A 70 -6.865 11.881 -13.141 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -7.519 12.988 -13.363 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -6.865 10.932 -14.037 1.00 0.00 N ATOM 0 H ARG A 70 -6.085 9.411 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.568 11.637 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.495 9.943 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.566 11.207 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.675 12.828 -9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.191 11.927 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.732 10.045 -10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.967 11.286 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.233 12.008 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.518 13.730 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.031 13.112 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.353 10.067 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.377 11.055 -14.911 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.806 12.369 -5.462 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.318 13.511 -4.640 1.00 0.00 C ATOM 1133 C TYR A 71 -6.151 14.275 -4.007 1.00 0.00 C ATOM 1134 O TYR A 71 -6.250 15.457 -3.735 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.189 12.871 -3.557 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.015 13.938 -2.880 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.473 14.677 -1.822 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.323 14.189 -3.311 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.238 15.666 -1.194 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.089 15.179 -2.683 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.547 15.917 -1.625 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.301 16.893 -1.006 1.00 0.00 O ATOM 0 H TYR A 71 -7.112 11.445 -5.157 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.879 14.227 -5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.841 12.117 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.562 12.362 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.464 14.484 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.741 13.619 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.819 16.236 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.098 15.373 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.185 16.940 -1.427 1.00 0.00 H new