USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=19 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= -1.94 F(o=-14,f=-13) USER MOD Set 1.2: A 31 HIS :FLIP no HE2:sc= -11.5! C(o=-14!,f=-13!) 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 14 SER OG : rot 180:sc= -0.396 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00402 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.96) USER MOD Single : A 22 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 23 SER OG : rot 82:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.197 K(o=0.2,f=-8.4!) USER MOD Single : A 42 SER OG : rot -48:sc= -0.544 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0547) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -27:sc= -3.05 USER MOD Single : A 46 SER OG : rot -72:sc= 0.111 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -121:sc= 0.284 USER MOD Single : A 52 MET CE :methyl -151:sc= -1.71 (180deg=-2.21) 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= 0.222 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+ 180:sc= 0 (180deg=0) 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 -13.679 10.517 -5.502 1.00 0.00 N ATOM 164 CA LYS A 12 -13.025 9.231 -5.110 1.00 0.00 C ATOM 165 C LYS A 12 -14.082 8.145 -4.892 1.00 0.00 C ATOM 166 O LYS A 12 -15.269 8.411 -4.913 1.00 0.00 O ATOM 167 CB LYS A 12 -12.291 9.535 -3.800 1.00 0.00 C ATOM 168 CG LYS A 12 -10.923 8.849 -3.807 1.00 0.00 C ATOM 169 CD LYS A 12 -10.464 8.609 -2.366 1.00 0.00 C ATOM 170 CE LYS A 12 -11.229 7.422 -1.779 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.938 7.463 -0.318 1.00 0.00 N ATOM 0 HA LYS A 12 -12.346 8.865 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.169 10.612 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.880 9.186 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.982 7.902 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.196 9.468 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.392 8.412 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.638 9.501 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.299 7.507 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.899 6.482 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.429 6.678 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.913 7.373 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.269 8.367 0.077 1.00 0.00 H new ATOM 185 N MET A 13 -13.656 6.924 -4.685 1.00 0.00 N ATOM 186 CA MET A 13 -14.628 5.812 -4.465 1.00 0.00 C ATOM 187 C MET A 13 -13.945 4.650 -3.741 1.00 0.00 C ATOM 188 O MET A 13 -13.047 4.022 -4.270 1.00 0.00 O ATOM 189 CB MET A 13 -15.068 5.387 -5.867 1.00 0.00 C ATOM 190 CG MET A 13 -16.250 6.249 -6.316 1.00 0.00 C ATOM 191 SD MET A 13 -17.165 5.389 -7.617 1.00 0.00 S ATOM 192 CE MET A 13 -17.969 6.844 -8.330 1.00 0.00 C ATOM 0 H MET A 13 -12.674 6.650 -4.659 1.00 0.00 H new ATOM 0 HA MET A 13 -15.473 6.117 -3.848 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.240 5.494 -6.567 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.351 4.334 -5.867 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.906 6.454 -5.470 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.893 7.211 -6.683 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.597 6.539 -9.167 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.585 7.328 -7.572 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.210 7.543 -8.681 1.00 0.00 H new ATOM 202 N SER A 14 -14.365 4.362 -2.535 1.00 0.00 N ATOM 203 CA SER A 14 -13.743 3.240 -1.768 1.00 0.00 C ATOM 204 C SER A 14 -14.117 1.896 -2.398 1.00 0.00 C ATOM 205 O SER A 14 -14.814 1.842 -3.395 1.00 0.00 O ATOM 206 CB SER A 14 -14.320 3.348 -0.355 1.00 0.00 C ATOM 207 OG SER A 14 -14.021 2.160 0.366 1.00 0.00 O ATOM 0 H SER A 14 -15.113 4.856 -2.048 1.00 0.00 H new ATOM 0 HA SER A 14 -12.655 3.300 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.899 4.213 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.399 3.498 -0.401 1.00 0.00 H new ATOM 0 HG SER A 14 -14.388 2.226 1.272 1.00 0.00 H new ATOM 213 N SER A 15 -13.661 0.813 -1.822 1.00 0.00 N ATOM 214 CA SER A 15 -13.988 -0.534 -2.382 1.00 0.00 C ATOM 215 C SER A 15 -15.470 -0.850 -2.165 1.00 0.00 C ATOM 216 O SER A 15 -16.078 -1.571 -2.934 1.00 0.00 O ATOM 217 CB SER A 15 -13.111 -1.517 -1.605 1.00 0.00 C ATOM 218 OG SER A 15 -13.548 -1.570 -0.254 1.00 0.00 O ATOM 0 H SER A 15 -13.075 0.803 -0.987 1.00 0.00 H new ATOM 0 HA SER A 15 -13.804 -0.588 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.167 -2.508 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.068 -1.205 -1.650 1.00 0.00 H new ATOM 0 HG SER A 15 -12.989 -2.201 0.246 1.00 0.00 H new ATOM 224 N TYR A 16 -16.053 -0.313 -1.123 1.00 0.00 N ATOM 225 CA TYR A 16 -17.499 -0.575 -0.848 1.00 0.00 C ATOM 226 C TYR A 16 -18.372 0.240 -1.805 1.00 0.00 C ATOM 227 O TYR A 16 -19.470 -0.159 -2.147 1.00 0.00 O ATOM 228 CB TYR A 16 -17.721 -0.126 0.596 1.00 0.00 C ATOM 229 CG TYR A 16 -18.858 -0.916 1.200 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.182 -0.591 0.882 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.588 -1.973 2.078 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.236 -1.324 1.442 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.641 -2.705 2.637 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.965 -2.381 2.319 1.00 0.00 C ATOM 235 OH TYR A 16 -22.004 -3.103 2.870 1.00 0.00 O ATOM 0 H TYR A 16 -15.589 0.297 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.762 -1.623 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.811 -0.274 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.948 0.940 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.391 0.224 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.567 -2.223 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.258 -1.074 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.432 -3.520 3.314 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.643 -3.801 3.455 1.00 0.00 H new ATOM 245 N ALA A 17 -17.889 1.376 -2.240 1.00 0.00 N ATOM 246 CA ALA A 17 -18.684 2.225 -3.178 1.00 0.00 C ATOM 247 C ALA A 17 -18.613 1.649 -4.595 1.00 0.00 C ATOM 248 O ALA A 17 -19.536 1.784 -5.375 1.00 0.00 O ATOM 249 CB ALA A 17 -18.028 3.605 -3.125 1.00 0.00 C ATOM 0 H ALA A 17 -16.976 1.753 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.738 2.269 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.559 4.286 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.069 3.989 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.988 3.526 -3.441 1.00 0.00 H new ATOM 255 N PHE A 18 -17.521 1.008 -4.927 1.00 0.00 N ATOM 256 CA PHE A 18 -17.380 0.417 -6.293 1.00 0.00 C ATOM 257 C PHE A 18 -18.191 -0.878 -6.390 1.00 0.00 C ATOM 258 O PHE A 18 -18.664 -1.246 -7.450 1.00 0.00 O ATOM 259 CB PHE A 18 -15.887 0.127 -6.452 1.00 0.00 C ATOM 260 CG PHE A 18 -15.219 1.282 -7.161 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.583 1.600 -8.475 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.236 2.033 -6.505 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.964 2.670 -9.133 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.618 3.103 -7.164 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.982 3.421 -8.477 1.00 0.00 C ATOM 0 H PHE A 18 -16.720 0.868 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.748 1.085 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.430 -0.026 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.743 -0.793 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.341 1.020 -8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.955 1.787 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.244 2.916 -10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.860 3.683 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.505 4.246 -8.985 1.00 0.00 H new ATOM 275 N PHE A 19 -18.353 -1.570 -5.291 1.00 0.00 N ATOM 276 CA PHE A 19 -19.136 -2.845 -5.311 1.00 0.00 C ATOM 277 C PHE A 19 -20.587 -2.566 -5.709 1.00 0.00 C ATOM 278 O PHE A 19 -21.106 -3.149 -6.641 1.00 0.00 O ATOM 279 CB PHE A 19 -19.064 -3.388 -3.883 1.00 0.00 C ATOM 280 CG PHE A 19 -19.340 -4.872 -3.894 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.553 -5.726 -4.675 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.385 -5.395 -3.123 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.810 -7.101 -4.687 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.643 -6.771 -3.133 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.856 -7.624 -3.915 1.00 0.00 C ATOM 0 H PHE A 19 -17.977 -1.308 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.739 -3.559 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.079 -3.194 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.790 -2.877 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.746 -5.323 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.993 -4.736 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.203 -7.759 -5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.449 -7.174 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.055 -8.686 -3.923 1.00 0.00 H new ATOM 295 N VAL A 20 -21.241 -1.673 -5.008 1.00 0.00 N ATOM 296 CA VAL A 20 -22.662 -1.346 -5.343 1.00 0.00 C ATOM 297 C VAL A 20 -22.729 -0.671 -6.717 1.00 0.00 C ATOM 298 O VAL A 20 -23.694 -0.819 -7.443 1.00 0.00 O ATOM 299 CB VAL A 20 -23.128 -0.389 -4.239 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.576 0.041 -4.498 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.047 -1.098 -2.885 1.00 0.00 C ATOM 0 H VAL A 20 -20.853 -1.157 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.293 -2.233 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.486 0.492 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.900 0.721 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.639 0.547 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.221 -0.838 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.378 -0.420 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.688 -1.980 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.017 -1.401 -2.694 1.00 0.00 H new ATOM 311 N GLN A 21 -21.708 0.065 -7.076 1.00 0.00 N ATOM 312 CA GLN A 21 -21.702 0.750 -8.406 1.00 0.00 C ATOM 313 C GLN A 21 -21.546 -0.283 -9.523 1.00 0.00 C ATOM 314 O GLN A 21 -22.275 -0.271 -10.498 1.00 0.00 O ATOM 315 CB GLN A 21 -20.496 1.690 -8.372 1.00 0.00 C ATOM 316 CG GLN A 21 -20.659 2.768 -9.445 1.00 0.00 C ATOM 317 CD GLN A 21 -20.286 2.189 -10.812 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.131 1.912 -11.073 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.220 1.995 -11.701 1.00 0.00 N ATOM 0 H GLN A 21 -20.877 0.222 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.629 1.292 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.409 2.151 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.578 1.128 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.687 3.129 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.024 3.624 -9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.189 2.227 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -20.982 1.611 -12.615 1.00 0.00 H new ATOM 328 N THR A 22 -20.602 -1.180 -9.385 1.00 0.00 N ATOM 329 CA THR A 22 -20.394 -2.225 -10.432 1.00 0.00 C ATOM 330 C THR A 22 -21.483 -3.294 -10.328 1.00 0.00 C ATOM 331 O THR A 22 -21.858 -3.908 -11.309 1.00 0.00 O ATOM 332 CB THR A 22 -19.018 -2.827 -10.132 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.061 -1.782 -10.019 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.615 -3.772 -11.264 1.00 0.00 C ATOM 0 H THR A 22 -19.965 -1.233 -8.590 1.00 0.00 H new ATOM 0 HA THR A 22 -20.443 -1.815 -11.441 1.00 0.00 H new ATOM 0 HB THR A 22 -19.060 -3.384 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.060 -1.437 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.636 -4.200 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.350 -4.572 -11.349 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.572 -3.218 -12.202 1.00 0.00 H new ATOM 342 N SER A 23 -21.993 -3.517 -9.143 1.00 0.00 N ATOM 343 CA SER A 23 -23.065 -4.544 -8.964 1.00 0.00 C ATOM 344 C SER A 23 -24.385 -4.040 -9.556 1.00 0.00 C ATOM 345 O SER A 23 -25.226 -4.820 -9.964 1.00 0.00 O ATOM 346 CB SER A 23 -23.192 -4.734 -7.452 1.00 0.00 C ATOM 347 OG SER A 23 -22.053 -5.433 -6.969 1.00 0.00 O ATOM 0 H SER A 23 -21.713 -3.032 -8.291 1.00 0.00 H new ATOM 0 HA SER A 23 -22.826 -5.479 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.275 -3.766 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.100 -5.290 -7.219 1.00 0.00 H new ATOM 0 HG SER A 23 -21.313 -4.804 -6.841 1.00 0.00 H new ATOM 353 N ARG A 24 -24.567 -2.744 -9.612 1.00 0.00 N ATOM 354 CA ARG A 24 -25.830 -2.185 -10.186 1.00 0.00 C ATOM 355 C ARG A 24 -25.880 -2.469 -11.687 1.00 0.00 C ATOM 356 O ARG A 24 -26.884 -2.917 -12.210 1.00 0.00 O ATOM 357 CB ARG A 24 -25.764 -0.680 -9.924 1.00 0.00 C ATOM 358 CG ARG A 24 -27.177 -0.092 -9.955 1.00 0.00 C ATOM 359 CD ARG A 24 -27.492 0.409 -11.365 1.00 0.00 C ATOM 360 NE ARG A 24 -26.850 1.750 -11.450 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.466 2.732 -12.047 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.586 3.193 -11.558 1.00 0.00 N ATOM 363 NH2 ARG A 24 -26.964 3.255 -13.132 1.00 0.00 N ATOM 0 H ARG A 24 -23.896 -2.049 -9.285 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.721 -2.628 -9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.301 -0.489 -8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.141 -0.196 -10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.903 -0.848 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.257 0.727 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.095 -0.267 -12.122 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.568 0.475 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.928 1.900 -11.041 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.978 2.785 -10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.068 3.961 -12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.089 2.896 -13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.447 4.023 -13.598 1.00 0.00 H new ATOM 377 N GLU A 25 -24.798 -2.219 -12.378 1.00 0.00 N ATOM 378 CA GLU A 25 -24.765 -2.482 -13.848 1.00 0.00 C ATOM 379 C GLU A 25 -24.946 -3.978 -14.103 1.00 0.00 C ATOM 380 O GLU A 25 -25.671 -4.383 -14.993 1.00 0.00 O ATOM 381 CB GLU A 25 -23.383 -2.018 -14.310 1.00 0.00 C ATOM 382 CG GLU A 25 -23.390 -0.500 -14.485 1.00 0.00 C ATOM 383 CD GLU A 25 -22.169 -0.074 -15.303 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.062 -0.331 -14.856 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.360 0.502 -16.361 1.00 0.00 O ATOM 0 H GLU A 25 -23.934 -1.843 -11.987 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.559 -1.962 -14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.627 -2.308 -13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.120 -2.502 -15.250 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.305 -0.186 -14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.377 -0.011 -13.511 1.00 0.00 H new ATOM 392 N GLU A 26 -24.298 -4.799 -13.316 1.00 0.00 N ATOM 393 CA GLU A 26 -24.432 -6.276 -13.493 1.00 0.00 C ATOM 394 C GLU A 26 -25.887 -6.700 -13.261 1.00 0.00 C ATOM 395 O GLU A 26 -26.328 -7.721 -13.756 1.00 0.00 O ATOM 396 CB GLU A 26 -23.517 -6.897 -12.436 1.00 0.00 C ATOM 397 CG GLU A 26 -23.492 -8.417 -12.610 1.00 0.00 C ATOM 398 CD GLU A 26 -22.327 -9.004 -11.811 1.00 0.00 C ATOM 399 OE1 GLU A 26 -21.213 -8.957 -12.305 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.569 -9.488 -10.718 1.00 0.00 O ATOM 0 H GLU A 26 -23.681 -4.509 -12.557 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.159 -6.597 -14.498 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.509 -6.493 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.871 -6.641 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.434 -8.848 -12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.388 -8.671 -13.665 1.00 0.00 H new ATOM 407 N HIS A 27 -26.634 -5.922 -12.515 1.00 0.00 N ATOM 408 CA HIS A 27 -28.061 -6.274 -12.251 1.00 0.00 C ATOM 409 C HIS A 27 -28.973 -5.536 -13.237 1.00 0.00 C ATOM 410 O HIS A 27 -30.049 -5.092 -12.889 1.00 0.00 O ATOM 411 CB HIS A 27 -28.327 -5.810 -10.817 1.00 0.00 C ATOM 412 CG HIS A 27 -29.680 -6.289 -10.361 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.923 -5.705 -10.398 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.861 -7.522 -9.754 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.859 -6.558 -9.823 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.167 -7.638 -9.451 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.315 -5.058 -12.078 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.256 -7.339 -12.373 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.553 -6.195 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.281 -4.722 -10.764 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.093 -8.256 -9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.918 -6.384 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.578 -8.451 -8.993 1.00 0.00 H new ATOM 424 N LYS A 28 -28.546 -5.396 -14.467 1.00 0.00 N ATOM 425 CA LYS A 28 -29.384 -4.681 -15.477 1.00 0.00 C ATOM 426 C LYS A 28 -29.571 -5.545 -16.729 1.00 0.00 C ATOM 427 O LYS A 28 -29.531 -5.052 -17.842 1.00 0.00 O ATOM 428 CB LYS A 28 -28.601 -3.412 -15.813 1.00 0.00 C ATOM 429 CG LYS A 28 -29.557 -2.357 -16.373 1.00 0.00 C ATOM 430 CD LYS A 28 -28.749 -1.208 -16.981 1.00 0.00 C ATOM 431 CE LYS A 28 -29.658 -0.360 -17.874 1.00 0.00 C ATOM 432 NZ LYS A 28 -28.744 0.606 -18.543 1.00 0.00 N ATOM 0 H LYS A 28 -27.653 -5.746 -14.815 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.382 -4.459 -15.098 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.104 -3.031 -14.921 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -27.821 -3.635 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.203 -2.802 -17.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.205 -1.981 -15.581 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -28.321 -0.592 -16.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -27.916 -1.603 -17.563 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -30.183 -0.977 -18.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.418 0.156 -17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.293 1.224 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -28.263 1.184 -17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -28.036 0.086 -19.099 1.00 0.00 H new ATOM 446 N LYS A 29 -29.778 -6.826 -16.556 1.00 0.00 N ATOM 447 CA LYS A 29 -29.973 -7.726 -17.733 1.00 0.00 C ATOM 448 C LYS A 29 -31.281 -8.511 -17.587 1.00 0.00 C ATOM 449 O LYS A 29 -32.053 -8.628 -18.520 1.00 0.00 O ATOM 450 CB LYS A 29 -28.773 -8.674 -17.709 1.00 0.00 C ATOM 451 CG LYS A 29 -27.506 -7.902 -18.081 1.00 0.00 C ATOM 452 CD LYS A 29 -26.294 -8.832 -17.988 1.00 0.00 C ATOM 453 CE LYS A 29 -26.218 -9.700 -19.247 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.834 -10.248 -19.253 1.00 0.00 N ATOM 0 H LYS A 29 -29.820 -7.288 -15.648 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.037 -7.173 -18.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.665 -9.116 -16.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.930 -9.495 -18.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.594 -7.503 -19.091 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.377 -7.051 -17.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.381 -8.247 -17.881 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.374 -9.463 -17.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.959 -10.499 -19.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.414 -9.113 -20.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.704 -10.855 -20.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.151 -9.465 -19.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.679 -10.808 -18.391 1.00 0.00 H new ATOM 468 N LYS A 30 -31.530 -9.044 -16.420 1.00 0.00 N ATOM 469 CA LYS A 30 -32.787 -9.824 -16.191 1.00 0.00 C ATOM 470 C LYS A 30 -33.521 -9.286 -14.961 1.00 0.00 C ATOM 471 O LYS A 30 -33.716 -9.989 -13.986 1.00 0.00 O ATOM 472 CB LYS A 30 -32.334 -11.270 -15.951 1.00 0.00 C ATOM 473 CG LYS A 30 -31.329 -11.328 -14.791 1.00 0.00 C ATOM 474 CD LYS A 30 -29.957 -11.772 -15.308 1.00 0.00 C ATOM 475 CE LYS A 30 -29.141 -12.358 -14.155 1.00 0.00 C ATOM 476 NZ LYS A 30 -29.487 -13.806 -14.136 1.00 0.00 N ATOM 0 H LYS A 30 -30.915 -8.973 -15.610 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.472 -9.751 -17.035 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -33.197 -11.896 -15.725 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.878 -11.671 -16.856 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -31.249 -10.349 -14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.681 -12.022 -14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.077 -12.515 -16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.430 -10.924 -15.746 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.073 -12.209 -14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.394 -11.879 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.965 -14.278 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -30.509 -13.917 -13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -29.229 -14.237 -15.047 1.00 0.00 H new ATOM 490 N HIS A 31 -33.918 -8.039 -14.992 1.00 0.00 N ATOM 491 CA HIS A 31 -34.629 -7.448 -13.811 1.00 0.00 C ATOM 492 C HIS A 31 -35.696 -6.447 -14.291 1.00 0.00 C ATOM 493 O HIS A 31 -35.706 -5.309 -13.860 1.00 0.00 O ATOM 494 CB HIS A 31 -33.548 -6.726 -12.976 1.00 0.00 C ATOM 495 CG HIS A 31 -32.305 -7.577 -12.856 1.00 0.00 C ATOM 496 ND1 HIS A 31 -32.023 -8.701 -12.120 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -31.166 -7.317 -13.597 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -30.731 -9.134 -12.400 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -30.260 -8.264 -13.297 1.00 0.00 N flip ATOM 0 H HIS A 31 -33.783 -7.405 -15.779 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.136 -8.211 -13.221 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.298 -5.773 -13.442 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.938 -6.502 -11.983 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -32.664 -9.151 -11.466 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -31.029 -6.501 -14.291 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.220 -9.989 -11.982 1.00 0.00 H new ATOM 507 N PRO A 32 -36.565 -6.894 -15.174 1.00 0.00 N ATOM 508 CA PRO A 32 -37.628 -5.999 -15.698 1.00 0.00 C ATOM 509 C PRO A 32 -38.700 -5.756 -14.631 1.00 0.00 C ATOM 510 O PRO A 32 -39.063 -4.628 -14.354 1.00 0.00 O ATOM 511 CB PRO A 32 -38.204 -6.775 -16.880 1.00 0.00 C ATOM 512 CG PRO A 32 -37.907 -8.211 -16.586 1.00 0.00 C ATOM 513 CD PRO A 32 -36.648 -8.244 -15.760 1.00 0.00 C ATOM 0 HA PRO A 32 -37.255 -5.015 -15.982 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.276 -6.606 -16.977 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.746 -6.462 -17.818 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.734 -8.672 -16.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.776 -8.774 -17.510 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.699 -9.011 -14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.775 -8.466 -16.373 1.00 0.00 H new ATOM 521 N ASP A 33 -39.208 -6.805 -14.038 1.00 0.00 N ATOM 522 CA ASP A 33 -40.260 -6.644 -12.990 1.00 0.00 C ATOM 523 C ASP A 33 -39.616 -6.546 -11.604 1.00 0.00 C ATOM 524 O ASP A 33 -40.154 -5.927 -10.705 1.00 0.00 O ATOM 525 CB ASP A 33 -41.119 -7.904 -13.094 1.00 0.00 C ATOM 526 CG ASP A 33 -41.893 -7.886 -14.414 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.969 -7.311 -14.439 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.397 -8.447 -15.377 1.00 0.00 O ATOM 0 H ASP A 33 -38.939 -7.769 -14.235 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.848 -5.737 -13.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.489 -8.792 -13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.812 -7.955 -12.254 1.00 0.00 H new ATOM 533 N SER A 34 -38.470 -7.152 -11.429 1.00 0.00 N ATOM 534 CA SER A 34 -37.784 -7.098 -10.102 1.00 0.00 C ATOM 535 C SER A 34 -37.053 -5.764 -9.938 1.00 0.00 C ATOM 536 O SER A 34 -36.230 -5.394 -10.755 1.00 0.00 O ATOM 537 CB SER A 34 -36.786 -8.257 -10.122 1.00 0.00 C ATOM 538 OG SER A 34 -37.473 -9.473 -9.860 1.00 0.00 O ATOM 0 H SER A 34 -37.979 -7.683 -12.148 1.00 0.00 H new ATOM 0 HA SER A 34 -38.486 -7.180 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.290 -8.308 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.009 -8.096 -9.374 1.00 0.00 H new ATOM 0 HG SER A 34 -36.836 -10.218 -9.874 1.00 0.00 H new ATOM 544 N SER A 35 -37.349 -5.042 -8.887 1.00 0.00 N ATOM 545 CA SER A 35 -36.677 -3.731 -8.658 1.00 0.00 C ATOM 546 C SER A 35 -35.383 -3.936 -7.868 1.00 0.00 C ATOM 547 O SER A 35 -35.019 -5.050 -7.541 1.00 0.00 O ATOM 548 CB SER A 35 -37.677 -2.910 -7.845 1.00 0.00 C ATOM 549 OG SER A 35 -38.809 -2.615 -8.653 1.00 0.00 O ATOM 0 H SER A 35 -38.030 -5.307 -8.176 1.00 0.00 H new ATOM 0 HA SER A 35 -36.407 -3.235 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.984 -3.464 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.212 -1.987 -7.500 1.00 0.00 H new ATOM 0 HG SER A 35 -39.453 -2.090 -8.134 1.00 0.00 H new ATOM 555 N VAL A 36 -34.688 -2.870 -7.561 1.00 0.00 N ATOM 556 CA VAL A 36 -33.416 -2.999 -6.791 1.00 0.00 C ATOM 557 C VAL A 36 -32.951 -1.626 -6.294 1.00 0.00 C ATOM 558 O VAL A 36 -31.874 -1.170 -6.631 1.00 0.00 O ATOM 559 CB VAL A 36 -32.409 -3.595 -7.785 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.194 -2.635 -8.960 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.076 -3.833 -7.073 1.00 0.00 C ATOM 0 H VAL A 36 -34.948 -1.916 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.529 -3.626 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.800 -4.539 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.478 -3.069 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.142 -2.467 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.809 -1.686 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.359 -4.256 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.694 -2.887 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.225 -4.526 -6.245 1.00 0.00 H new ATOM 571 N ASN A 37 -33.750 -0.965 -5.488 1.00 0.00 N ATOM 572 CA ASN A 37 -33.344 0.380 -4.966 1.00 0.00 C ATOM 573 C ASN A 37 -32.019 0.260 -4.206 1.00 0.00 C ATOM 574 O ASN A 37 -31.407 -0.791 -4.188 1.00 0.00 O ATOM 575 CB ASN A 37 -34.478 0.826 -4.034 1.00 0.00 C ATOM 576 CG ASN A 37 -34.688 -0.209 -2.927 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.840 -0.384 -2.075 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.792 -0.903 -2.902 1.00 0.00 N ATOM 0 H ASN A 37 -34.661 -1.297 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.190 1.105 -5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.239 1.795 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.399 0.952 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.944 -1.593 -2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.504 -0.755 -3.618 1.00 0.00 H new ATOM 585 N PHE A 38 -31.564 1.324 -3.598 1.00 0.00 N ATOM 586 CA PHE A 38 -30.264 1.258 -2.862 1.00 0.00 C ATOM 587 C PHE A 38 -30.353 0.301 -1.675 1.00 0.00 C ATOM 588 O PHE A 38 -29.620 -0.654 -1.602 1.00 0.00 O ATOM 589 CB PHE A 38 -29.984 2.678 -2.374 1.00 0.00 C ATOM 590 CG PHE A 38 -29.787 3.588 -3.561 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.540 3.646 -4.193 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.848 4.369 -4.032 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.352 4.487 -5.296 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.661 5.210 -5.137 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.413 5.268 -5.768 1.00 0.00 C ATOM 0 H PHE A 38 -32.031 2.230 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.468 0.887 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.813 3.034 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.095 2.688 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.722 3.042 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.810 4.324 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.389 4.533 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.479 5.813 -5.502 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.269 5.916 -6.620 1.00 0.00 H new ATOM 605 N ALA A 39 -31.226 0.564 -0.735 1.00 0.00 N ATOM 606 CA ALA A 39 -31.336 -0.322 0.473 1.00 0.00 C ATOM 607 C ALA A 39 -31.518 -1.792 0.099 1.00 0.00 C ATOM 608 O ALA A 39 -30.754 -2.635 0.529 1.00 0.00 O ATOM 609 CB ALA A 39 -32.551 0.194 1.246 1.00 0.00 C ATOM 0 H ALA A 39 -31.870 1.355 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.421 -0.284 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.693 -0.407 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.388 1.234 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.439 0.123 0.618 1.00 0.00 H new ATOM 615 N GLU A 40 -32.512 -2.116 -0.692 1.00 0.00 N ATOM 616 CA GLU A 40 -32.719 -3.550 -1.083 1.00 0.00 C ATOM 617 C GLU A 40 -31.425 -4.136 -1.661 1.00 0.00 C ATOM 618 O GLU A 40 -31.204 -5.332 -1.622 1.00 0.00 O ATOM 619 CB GLU A 40 -33.824 -3.528 -2.140 1.00 0.00 C ATOM 620 CG GLU A 40 -34.165 -4.961 -2.554 1.00 0.00 C ATOM 621 CD GLU A 40 -35.585 -5.004 -3.121 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.510 -5.153 -2.340 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.723 -4.886 -4.328 1.00 0.00 O ATOM 0 H GLU A 40 -33.185 -1.457 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.993 -4.171 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.710 -3.032 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.499 -2.955 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -33.453 -5.314 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.084 -5.628 -1.696 1.00 0.00 H new ATOM 630 N PHE A 41 -30.564 -3.294 -2.181 1.00 0.00 N ATOM 631 CA PHE A 41 -29.280 -3.789 -2.744 1.00 0.00 C ATOM 632 C PHE A 41 -28.115 -3.493 -1.786 1.00 0.00 C ATOM 633 O PHE A 41 -27.039 -4.043 -1.921 1.00 0.00 O ATOM 634 CB PHE A 41 -29.109 -3.042 -4.066 1.00 0.00 C ATOM 635 CG PHE A 41 -28.231 -3.850 -4.991 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.609 -5.147 -5.357 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.041 -3.302 -5.482 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.796 -5.897 -6.215 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.227 -4.053 -6.339 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.605 -5.350 -6.705 1.00 0.00 C ATOM 0 H PHE A 41 -30.701 -2.285 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.287 -4.869 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.081 -2.871 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.664 -2.063 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.528 -5.569 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.750 -2.301 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.088 -6.897 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.308 -3.631 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.977 -5.929 -7.366 1.00 0.00 H new ATOM 650 N SER A 42 -28.326 -2.637 -0.817 1.00 0.00 N ATOM 651 CA SER A 42 -27.248 -2.309 0.158 1.00 0.00 C ATOM 652 C SER A 42 -27.148 -3.429 1.201 1.00 0.00 C ATOM 653 O SER A 42 -26.104 -3.662 1.780 1.00 0.00 O ATOM 654 CB SER A 42 -27.686 -0.988 0.796 1.00 0.00 C ATOM 655 OG SER A 42 -28.621 -1.243 1.838 1.00 0.00 O ATOM 0 H SER A 42 -29.208 -2.149 -0.661 1.00 0.00 H new ATOM 0 HA SER A 42 -26.264 -2.218 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.819 -0.461 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.135 -0.341 0.043 1.00 0.00 H new ATOM 0 HG SER A 42 -29.314 -1.855 1.513 1.00 0.00 H new ATOM 661 N LYS A 43 -28.234 -4.124 1.433 1.00 0.00 N ATOM 662 CA LYS A 43 -28.231 -5.235 2.425 1.00 0.00 C ATOM 663 C LYS A 43 -27.772 -6.538 1.759 1.00 0.00 C ATOM 664 O LYS A 43 -27.252 -7.425 2.409 1.00 0.00 O ATOM 665 CB LYS A 43 -29.690 -5.353 2.877 1.00 0.00 C ATOM 666 CG LYS A 43 -29.872 -4.640 4.218 1.00 0.00 C ATOM 667 CD LYS A 43 -31.350 -4.294 4.416 1.00 0.00 C ATOM 668 CE LYS A 43 -31.469 -3.065 5.321 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.187 -3.570 6.693 1.00 0.00 N ATOM 0 H LYS A 43 -29.129 -3.965 0.971 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.553 -5.048 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.350 -4.914 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.968 -6.403 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.525 -5.278 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.268 -3.733 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.821 -4.097 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.876 -5.139 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.758 -2.291 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -32.464 -2.624 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.381 -2.819 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -31.794 -4.391 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.189 -3.853 6.760 1.00 0.00 H new ATOM 683 N LYS A 44 -27.970 -6.659 0.469 1.00 0.00 N ATOM 684 CA LYS A 44 -27.557 -7.905 -0.246 1.00 0.00 C ATOM 685 C LYS A 44 -26.072 -7.849 -0.618 1.00 0.00 C ATOM 686 O LYS A 44 -25.355 -8.822 -0.478 1.00 0.00 O ATOM 687 CB LYS A 44 -28.422 -7.942 -1.506 1.00 0.00 C ATOM 688 CG LYS A 44 -28.338 -9.330 -2.144 1.00 0.00 C ATOM 689 CD LYS A 44 -27.142 -9.383 -3.096 1.00 0.00 C ATOM 690 CE LYS A 44 -27.370 -10.475 -4.144 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.498 -10.096 -5.290 1.00 0.00 N ATOM 0 H LYS A 44 -28.401 -5.946 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.691 -8.793 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.457 -7.707 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.085 -7.184 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.235 -10.091 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.258 -9.549 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.010 -8.418 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.228 -9.586 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.105 -11.458 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.417 -10.523 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.599 -10.798 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.778 -9.159 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.507 -10.065 -4.977 1.00 0.00 H new ATOM 705 N CYS A 45 -25.606 -6.720 -1.097 1.00 0.00 N ATOM 706 CA CYS A 45 -24.163 -6.604 -1.484 1.00 0.00 C ATOM 707 C CYS A 45 -23.258 -6.914 -0.284 1.00 0.00 C ATOM 708 O CYS A 45 -22.178 -7.453 -0.435 1.00 0.00 O ATOM 709 CB CYS A 45 -23.977 -5.150 -1.952 1.00 0.00 C ATOM 710 SG CYS A 45 -24.388 -4.001 -0.612 1.00 0.00 S ATOM 0 H CYS A 45 -26.161 -5.875 -1.237 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.894 -7.312 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.947 -4.993 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.613 -4.955 -2.816 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.253 -4.555 0.184 1.00 0.00 H new ATOM 716 N SER A 46 -23.698 -6.576 0.902 1.00 0.00 N ATOM 717 CA SER A 46 -22.872 -6.850 2.119 1.00 0.00 C ATOM 718 C SER A 46 -22.720 -8.360 2.320 1.00 0.00 C ATOM 719 O SER A 46 -21.679 -8.837 2.728 1.00 0.00 O ATOM 720 CB SER A 46 -23.646 -6.229 3.281 1.00 0.00 C ATOM 721 OG SER A 46 -24.903 -6.880 3.410 1.00 0.00 O ATOM 0 H SER A 46 -24.594 -6.122 1.081 1.00 0.00 H new ATOM 0 HA SER A 46 -21.868 -6.435 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.077 -6.326 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.792 -5.163 3.107 1.00 0.00 H new ATOM 0 HG SER A 46 -25.488 -6.611 2.671 1.00 0.00 H new ATOM 727 N GLU A 47 -23.753 -9.111 2.032 1.00 0.00 N ATOM 728 CA GLU A 47 -23.676 -10.594 2.202 1.00 0.00 C ATOM 729 C GLU A 47 -22.610 -11.173 1.268 1.00 0.00 C ATOM 730 O GLU A 47 -21.962 -12.153 1.584 1.00 0.00 O ATOM 731 CB GLU A 47 -25.064 -11.118 1.821 1.00 0.00 C ATOM 732 CG GLU A 47 -26.104 -10.564 2.797 1.00 0.00 C ATOM 733 CD GLU A 47 -27.346 -11.456 2.779 1.00 0.00 C ATOM 734 OE1 GLU A 47 -27.294 -12.522 3.369 1.00 0.00 O ATOM 735 OE2 GLU A 47 -28.329 -11.057 2.177 1.00 0.00 O ATOM 0 H GLU A 47 -24.647 -8.761 1.686 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.403 -10.878 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.310 -10.819 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.072 -12.208 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.688 -10.522 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.371 -9.544 2.520 1.00 0.00 H new ATOM 742 N ARG A 48 -22.424 -10.568 0.123 1.00 0.00 N ATOM 743 CA ARG A 48 -21.399 -11.072 -0.840 1.00 0.00 C ATOM 744 C ARG A 48 -20.040 -10.432 -0.541 1.00 0.00 C ATOM 745 O ARG A 48 -19.017 -11.090 -0.566 1.00 0.00 O ATOM 746 CB ARG A 48 -21.904 -10.639 -2.220 1.00 0.00 C ATOM 747 CG ARG A 48 -22.510 -11.843 -2.948 1.00 0.00 C ATOM 748 CD ARG A 48 -21.388 -12.717 -3.513 1.00 0.00 C ATOM 749 NE ARG A 48 -22.003 -14.060 -3.699 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.439 -15.114 -3.177 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.513 -15.753 -3.837 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.801 -15.529 -1.994 1.00 0.00 N ATOM 0 H ARG A 48 -22.939 -9.744 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.265 -12.152 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.651 -9.852 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.083 -10.223 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -23.127 -12.423 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -23.162 -11.504 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.015 -12.319 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.540 -12.762 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.866 -14.156 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.230 -15.429 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.072 -16.577 -3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.525 -15.029 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.360 -16.353 -1.586 1.00 0.00 H new ATOM 766 N TRP A 49 -20.027 -9.154 -0.255 1.00 0.00 N ATOM 767 CA TRP A 49 -18.736 -8.463 0.051 1.00 0.00 C ATOM 768 C TRP A 49 -18.114 -9.052 1.320 1.00 0.00 C ATOM 769 O TRP A 49 -16.907 -9.122 1.454 1.00 0.00 O ATOM 770 CB TRP A 49 -19.106 -6.993 0.266 1.00 0.00 C ATOM 771 CG TRP A 49 -17.863 -6.190 0.483 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.519 -5.592 1.646 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.797 -5.891 -0.464 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.310 -4.943 1.473 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.825 -5.097 0.190 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.582 -6.225 -1.812 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.679 -4.652 -0.471 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.430 -5.780 -2.481 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.480 -4.994 -1.811 1.00 0.00 C ATOM 0 H TRP A 49 -20.855 -8.559 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.005 -8.582 -0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.650 -6.614 -0.599 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.769 -6.896 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.094 -5.617 2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.835 -4.415 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.308 -6.828 -2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.951 -4.047 0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.274 -6.044 -3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.596 -4.654 -2.330 1.00 0.00 H new ATOM 790 N LYS A 50 -18.932 -9.476 2.249 1.00 0.00 N ATOM 791 CA LYS A 50 -18.399 -10.065 3.515 1.00 0.00 C ATOM 792 C LYS A 50 -17.924 -11.500 3.270 1.00 0.00 C ATOM 793 O LYS A 50 -17.025 -11.987 3.930 1.00 0.00 O ATOM 794 CB LYS A 50 -19.575 -10.047 4.491 1.00 0.00 C ATOM 795 CG LYS A 50 -19.715 -8.647 5.092 1.00 0.00 C ATOM 796 CD LYS A 50 -18.567 -8.395 6.072 1.00 0.00 C ATOM 797 CE LYS A 50 -18.854 -7.125 6.877 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.623 -6.897 7.685 1.00 0.00 N ATOM 0 H LYS A 50 -19.949 -9.440 2.185 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.545 -9.509 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.494 -10.327 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.417 -10.780 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.703 -7.897 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.672 -8.554 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.454 -9.246 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.628 -8.290 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.058 -6.279 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.728 -7.251 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.742 -6.042 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.458 -7.716 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.809 -6.774 7.050 1.00 0.00 H new ATOM 812 N THR A 51 -18.525 -12.177 2.325 1.00 0.00 N ATOM 813 CA THR A 51 -18.119 -13.584 2.027 1.00 0.00 C ATOM 814 C THR A 51 -17.048 -13.620 0.927 1.00 0.00 C ATOM 815 O THR A 51 -16.363 -14.612 0.758 1.00 0.00 O ATOM 816 CB THR A 51 -19.400 -14.270 1.548 1.00 0.00 C ATOM 817 OG1 THR A 51 -20.011 -13.478 0.539 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.363 -14.433 2.726 1.00 0.00 C ATOM 0 H THR A 51 -19.282 -11.815 1.745 1.00 0.00 H new ATOM 0 HA THR A 51 -17.687 -14.077 2.898 1.00 0.00 H new ATOM 0 HB THR A 51 -19.158 -15.252 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.915 -13.228 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.276 -14.922 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.893 -15.041 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.607 -13.452 3.135 1.00 0.00 H new ATOM 826 N MET A 52 -16.899 -12.552 0.177 1.00 0.00 N ATOM 827 CA MET A 52 -15.871 -12.529 -0.915 1.00 0.00 C ATOM 828 C MET A 52 -14.479 -12.839 -0.350 1.00 0.00 C ATOM 829 O MET A 52 -14.260 -12.787 0.845 1.00 0.00 O ATOM 830 CB MET A 52 -15.912 -11.107 -1.477 1.00 0.00 C ATOM 831 CG MET A 52 -16.993 -11.014 -2.557 1.00 0.00 C ATOM 832 SD MET A 52 -16.273 -11.403 -4.171 1.00 0.00 S ATOM 833 CE MET A 52 -16.030 -9.700 -4.729 1.00 0.00 C ATOM 0 H MET A 52 -17.445 -11.696 0.274 1.00 0.00 H new ATOM 0 HA MET A 52 -16.076 -13.277 -1.681 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.119 -10.395 -0.678 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.941 -10.842 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.805 -11.706 -2.333 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.422 -10.012 -2.571 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.091 -9.661 -5.817 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.803 -9.063 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.049 -9.348 -4.408 1.00 0.00 H new ATOM 843 N SER A 53 -13.543 -13.162 -1.206 1.00 0.00 N ATOM 844 CA SER A 53 -12.162 -13.479 -0.730 1.00 0.00 C ATOM 845 C SER A 53 -11.203 -12.340 -1.083 1.00 0.00 C ATOM 846 O SER A 53 -11.573 -11.388 -1.744 1.00 0.00 O ATOM 847 CB SER A 53 -11.772 -14.756 -1.473 1.00 0.00 C ATOM 848 OG SER A 53 -12.634 -15.814 -1.072 1.00 0.00 O ATOM 0 H SER A 53 -13.676 -13.220 -2.216 1.00 0.00 H new ATOM 0 HA SER A 53 -12.118 -13.605 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.844 -14.601 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.735 -15.014 -1.257 1.00 0.00 H new ATOM 0 HG SER A 53 -12.388 -16.635 -1.548 1.00 0.00 H new ATOM 854 N ALA A 54 -9.973 -12.433 -0.644 1.00 0.00 N ATOM 855 CA ALA A 54 -8.977 -11.360 -0.949 1.00 0.00 C ATOM 856 C ALA A 54 -8.647 -11.342 -2.445 1.00 0.00 C ATOM 857 O ALA A 54 -8.242 -10.329 -2.985 1.00 0.00 O ATOM 858 CB ALA A 54 -7.734 -11.720 -0.132 1.00 0.00 C ATOM 0 H ALA A 54 -9.614 -13.208 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.357 -10.370 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.957 -10.975 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.988 -11.740 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.370 -12.701 -0.436 1.00 0.00 H new ATOM 864 N LYS A 55 -8.818 -12.453 -3.119 1.00 0.00 N ATOM 865 CA LYS A 55 -8.516 -12.500 -4.583 1.00 0.00 C ATOM 866 C LYS A 55 -9.530 -11.652 -5.351 1.00 0.00 C ATOM 867 O LYS A 55 -9.225 -11.088 -6.385 1.00 0.00 O ATOM 868 CB LYS A 55 -8.641 -13.974 -4.976 1.00 0.00 C ATOM 869 CG LYS A 55 -7.320 -14.692 -4.696 1.00 0.00 C ATOM 870 CD LYS A 55 -7.220 -15.940 -5.576 1.00 0.00 C ATOM 871 CE LYS A 55 -8.115 -17.042 -5.001 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.090 -18.127 -6.021 1.00 0.00 N ATOM 0 H LYS A 55 -9.154 -13.329 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.526 -12.106 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.448 -14.444 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.896 -14.059 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.482 -14.025 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.261 -14.970 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.524 -15.704 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.187 -16.283 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.740 -17.394 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.129 -16.680 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.681 -18.920 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.459 -17.764 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.112 -18.456 -6.154 1.00 0.00 H new ATOM 886 N GLU A 56 -10.733 -11.559 -4.847 1.00 0.00 N ATOM 887 CA GLU A 56 -11.781 -10.749 -5.532 1.00 0.00 C ATOM 888 C GLU A 56 -11.848 -9.351 -4.913 1.00 0.00 C ATOM 889 O GLU A 56 -11.910 -8.355 -5.610 1.00 0.00 O ATOM 890 CB GLU A 56 -13.084 -11.508 -5.290 1.00 0.00 C ATOM 891 CG GLU A 56 -13.186 -12.670 -6.279 1.00 0.00 C ATOM 892 CD GLU A 56 -14.630 -13.176 -6.326 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.040 -13.823 -5.377 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.300 -12.907 -7.309 1.00 0.00 O ATOM 0 H GLU A 56 -11.035 -12.013 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.579 -10.617 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.115 -11.883 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.936 -10.838 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.871 -12.346 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.517 -13.476 -5.979 1.00 0.00 H new ATOM 901 N LYS A 57 -11.830 -9.276 -3.608 1.00 0.00 N ATOM 902 CA LYS A 57 -11.887 -7.945 -2.927 1.00 0.00 C ATOM 903 C LYS A 57 -10.671 -7.095 -3.315 1.00 0.00 C ATOM 904 O LYS A 57 -10.704 -5.881 -3.233 1.00 0.00 O ATOM 905 CB LYS A 57 -11.864 -8.258 -1.429 1.00 0.00 C ATOM 906 CG LYS A 57 -13.297 -8.331 -0.900 1.00 0.00 C ATOM 907 CD LYS A 57 -13.304 -8.039 0.602 1.00 0.00 C ATOM 908 CE LYS A 57 -12.664 -9.208 1.354 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.405 -8.688 2.725 1.00 0.00 N ATOM 0 H LYS A 57 -11.778 -10.080 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.774 -7.379 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.351 -9.204 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.307 -7.489 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.926 -7.611 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.716 -9.319 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.757 -7.119 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.326 -7.886 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.328 -10.072 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.740 -9.529 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.966 -9.434 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.765 -7.870 2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.303 -8.397 3.161 1.00 0.00 H new ATOM 923 N SER A 58 -9.598 -7.723 -3.732 1.00 0.00 N ATOM 924 CA SER A 58 -8.377 -6.951 -4.123 1.00 0.00 C ATOM 925 C SER A 58 -8.647 -6.137 -5.392 1.00 0.00 C ATOM 926 O SER A 58 -8.094 -5.069 -5.582 1.00 0.00 O ATOM 927 CB SER A 58 -7.300 -8.004 -4.384 1.00 0.00 C ATOM 928 OG SER A 58 -7.798 -8.970 -5.299 1.00 0.00 O ATOM 0 H SER A 58 -9.515 -8.736 -3.818 1.00 0.00 H new ATOM 0 HA SER A 58 -8.075 -6.245 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.404 -7.532 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.013 -8.486 -3.450 1.00 0.00 H new ATOM 0 HG SER A 58 -7.979 -9.808 -4.824 1.00 0.00 H new ATOM 934 N LYS A 59 -9.491 -6.633 -6.260 1.00 0.00 N ATOM 935 CA LYS A 59 -9.800 -5.891 -7.521 1.00 0.00 C ATOM 936 C LYS A 59 -10.523 -4.580 -7.199 1.00 0.00 C ATOM 937 O LYS A 59 -10.416 -3.610 -7.925 1.00 0.00 O ATOM 938 CB LYS A 59 -10.711 -6.820 -8.326 1.00 0.00 C ATOM 939 CG LYS A 59 -10.944 -6.227 -9.717 1.00 0.00 C ATOM 940 CD LYS A 59 -11.896 -7.131 -10.506 1.00 0.00 C ATOM 941 CE LYS A 59 -12.192 -6.497 -11.866 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.278 -7.332 -12.450 1.00 0.00 N ATOM 0 H LYS A 59 -9.981 -7.521 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.897 -5.632 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.257 -7.807 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.663 -6.950 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.365 -5.225 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.996 -6.130 -10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.450 -8.116 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.823 -7.274 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.507 -5.459 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.307 -6.497 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.537 -6.960 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.947 -8.313 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.109 -7.307 -11.825 1.00 0.00 H new ATOM 956 N PHE A 60 -11.257 -4.550 -6.116 1.00 0.00 N ATOM 957 CA PHE A 60 -11.991 -3.305 -5.737 1.00 0.00 C ATOM 958 C PHE A 60 -11.087 -2.386 -4.911 1.00 0.00 C ATOM 959 O PHE A 60 -11.227 -1.179 -4.937 1.00 0.00 O ATOM 960 CB PHE A 60 -13.177 -3.787 -4.900 1.00 0.00 C ATOM 961 CG PHE A 60 -14.198 -4.438 -5.801 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.170 -3.658 -6.437 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.172 -5.824 -5.999 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.117 -4.263 -7.272 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.119 -6.430 -6.835 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.091 -5.649 -7.471 1.00 0.00 C ATOM 0 H PHE A 60 -11.380 -5.335 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.311 -2.732 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.838 -4.496 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.627 -2.947 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.190 -2.589 -6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.422 -6.426 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.867 -3.661 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.099 -7.499 -6.989 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.821 -6.115 -8.116 1.00 0.00 H new ATOM 976 N GLU A 61 -10.161 -2.954 -4.180 1.00 0.00 N ATOM 977 CA GLU A 61 -9.240 -2.119 -3.348 1.00 0.00 C ATOM 978 C GLU A 61 -8.312 -1.299 -4.247 1.00 0.00 C ATOM 979 O GLU A 61 -7.880 -0.220 -3.889 1.00 0.00 O ATOM 980 CB GLU A 61 -8.434 -3.117 -2.514 1.00 0.00 C ATOM 981 CG GLU A 61 -7.787 -2.390 -1.333 1.00 0.00 C ATOM 982 CD GLU A 61 -6.888 -3.361 -0.565 1.00 0.00 C ATOM 983 OE1 GLU A 61 -5.720 -3.451 -0.906 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.383 -3.999 0.349 1.00 0.00 O ATOM 0 H GLU A 61 -10.003 -3.960 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.782 -1.412 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.084 -3.914 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.667 -3.586 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.203 -1.542 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.557 -1.991 -0.672 1.00 0.00 H new ATOM 991 N ASP A 62 -8.006 -1.807 -5.415 1.00 0.00 N ATOM 992 CA ASP A 62 -7.107 -1.064 -6.348 1.00 0.00 C ATOM 993 C ASP A 62 -7.884 0.044 -7.064 1.00 0.00 C ATOM 994 O ASP A 62 -7.326 1.056 -7.447 1.00 0.00 O ATOM 995 CB ASP A 62 -6.619 -2.110 -7.352 1.00 0.00 C ATOM 996 CG ASP A 62 -5.351 -1.606 -8.043 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.283 -1.790 -7.485 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.471 -1.042 -9.118 1.00 0.00 O ATOM 0 H ASP A 62 -8.341 -2.706 -5.762 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.279 -0.585 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.417 -3.052 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.394 -2.308 -8.092 1.00 0.00 H new ATOM 1003 N MET A 63 -9.167 -0.140 -7.245 1.00 0.00 N ATOM 1004 CA MET A 63 -9.989 0.902 -7.935 1.00 0.00 C ATOM 1005 C MET A 63 -10.133 2.139 -7.044 1.00 0.00 C ATOM 1006 O MET A 63 -10.240 3.250 -7.526 1.00 0.00 O ATOM 1007 CB MET A 63 -11.354 0.250 -8.170 1.00 0.00 C ATOM 1008 CG MET A 63 -11.236 -0.792 -9.284 1.00 0.00 C ATOM 1009 SD MET A 63 -12.859 -1.533 -9.591 1.00 0.00 S ATOM 1010 CE MET A 63 -12.727 -1.629 -11.393 1.00 0.00 C ATOM 0 H MET A 63 -9.682 -0.968 -6.945 1.00 0.00 H new ATOM 0 HA MET A 63 -9.532 1.232 -8.868 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.707 -0.221 -7.253 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.089 1.008 -8.442 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.859 -0.326 -10.194 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.520 -1.563 -9.001 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.638 -2.065 -11.802 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.589 -0.628 -11.802 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.874 -2.252 -11.663 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.132 1.949 -5.749 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.267 3.110 -4.817 1.00 0.00 C ATOM 1022 C ALA A 64 -8.917 3.812 -4.650 1.00 0.00 C ATOM 1023 O ALA A 64 -8.836 5.026 -4.643 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.725 2.504 -3.490 1.00 0.00 C ATOM 0 H ALA A 64 -10.043 1.039 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.970 3.857 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.847 3.296 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.676 1.992 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.979 1.792 -3.138 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.858 3.054 -4.515 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.506 3.671 -4.349 1.00 0.00 C ATOM 1032 C LYS A 65 -6.109 4.426 -5.620 1.00 0.00 C ATOM 1033 O LYS A 65 -5.363 5.386 -5.573 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.554 2.496 -4.104 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.188 3.026 -3.661 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.259 3.127 -4.873 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.583 1.775 -5.113 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.176 1.798 -6.546 1.00 0.00 N ATOM 0 H LYS A 65 -7.871 2.034 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.482 4.390 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.964 1.836 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.448 1.905 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.300 4.004 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.755 2.363 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.826 3.424 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.506 3.897 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.721 1.643 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.266 0.950 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.704 0.903 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.018 1.918 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.521 2.589 -6.708 1.00 0.00 H new ATOM 1052 N SER A 66 -6.605 3.999 -6.755 1.00 0.00 N ATOM 1053 CA SER A 66 -6.260 4.691 -8.036 1.00 0.00 C ATOM 1054 C SER A 66 -6.737 6.145 -7.996 1.00 0.00 C ATOM 1055 O SER A 66 -6.008 7.055 -8.345 1.00 0.00 O ATOM 1056 CB SER A 66 -7.000 3.915 -9.127 1.00 0.00 C ATOM 1057 OG SER A 66 -6.558 4.360 -10.402 1.00 0.00 O ATOM 0 H SER A 66 -7.234 3.201 -6.850 1.00 0.00 H new ATOM 0 HA SER A 66 -5.185 4.712 -8.213 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.815 2.846 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.075 4.064 -9.030 1.00 0.00 H new ATOM 0 HG SER A 66 -7.029 3.863 -11.103 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.956 6.367 -7.573 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.490 7.760 -7.505 1.00 0.00 C ATOM 1065 C ASP A 67 -7.979 8.460 -6.242 1.00 0.00 C ATOM 1066 O ASP A 67 -7.811 9.664 -6.215 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.010 7.603 -7.454 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.674 8.933 -7.813 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.498 9.881 -7.064 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.346 8.983 -8.829 1.00 0.00 O ATOM 0 H ASP A 67 -8.606 5.641 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.173 8.365 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.329 6.826 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.320 7.287 -6.458 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.733 7.710 -5.198 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.232 8.323 -3.929 1.00 0.00 C ATOM 1077 C LYS A 68 -5.871 8.984 -4.164 1.00 0.00 C ATOM 1078 O LYS A 68 -5.514 9.940 -3.500 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.099 7.161 -2.943 1.00 0.00 C ATOM 1080 CG LYS A 68 -6.950 7.710 -1.522 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.167 6.710 -0.668 1.00 0.00 C ATOM 1082 CE LYS A 68 -5.950 7.293 0.730 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.523 6.136 1.566 1.00 0.00 N ATOM 0 H LYS A 68 -7.857 6.698 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.903 9.096 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.975 6.516 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.234 6.549 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.433 8.669 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.932 7.887 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.712 5.768 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.207 6.490 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.190 8.074 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.864 7.744 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.354 6.456 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.269 5.412 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.647 5.732 1.178 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.111 8.479 -5.103 1.00 0.00 N ATOM 1098 CA ALA A 69 -3.770 9.072 -5.387 1.00 0.00 C ATOM 1099 C ALA A 69 -3.893 10.190 -6.426 1.00 0.00 C ATOM 1100 O ALA A 69 -3.113 11.123 -6.440 1.00 0.00 O ATOM 1101 CB ALA A 69 -2.936 7.916 -5.940 1.00 0.00 C ATOM 0 H ALA A 69 -5.362 7.680 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.318 9.514 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.932 8.271 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.875 7.122 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.405 7.529 -6.845 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.868 10.098 -7.294 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.050 11.153 -8.338 1.00 0.00 C ATOM 1109 C ARG A 70 -5.740 12.381 -7.735 1.00 0.00 C ATOM 1110 O ARG A 70 -5.544 13.494 -8.183 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.936 10.511 -9.406 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.847 11.321 -10.700 1.00 0.00 C ATOM 1113 CD ARG A 70 -4.652 10.837 -11.525 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.988 11.190 -12.932 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.393 10.265 -13.758 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -6.624 9.837 -13.708 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.565 9.767 -14.637 1.00 0.00 N ATOM 0 H ARG A 70 -5.547 9.337 -7.325 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.099 11.492 -8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.620 9.483 -9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.969 10.471 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.767 11.211 -11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.739 12.381 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.729 11.322 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.503 9.763 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.901 12.155 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.272 10.226 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.939 9.114 -14.355 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.602 10.101 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.881 9.044 -15.283 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.545 12.182 -6.723 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.253 13.334 -6.083 1.00 0.00 C ATOM 1133 C TYR A 71 -6.238 14.321 -5.501 1.00 0.00 C ATOM 1134 O TYR A 71 -6.491 15.508 -5.420 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.102 12.720 -4.969 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.229 13.662 -4.617 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.333 13.781 -5.469 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.170 14.415 -3.438 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.377 14.655 -5.143 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.214 15.287 -3.112 1.00 0.00 C ATOM 1141 CZ TYR A 71 -11.318 15.408 -3.964 1.00 0.00 C ATOM 1142 OH TYR A 71 -12.349 16.268 -3.643 1.00 0.00 O ATOM 0 H TYR A 71 -6.744 11.270 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.863 13.887 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.504 11.759 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.486 12.529 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.380 13.199 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.318 14.323 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.228 14.748 -5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.168 15.867 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.151 16.713 -2.792 1.00 0.00 H new