USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 80 CYS SG : rot -78:sc= 0.542 USER MOD Set 1.2: A 82 THR OG1 : rot 130:sc= 0.682 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.17) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00255) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.585 F(o=0.0039,f=0.59) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0098 USER MOD Single : A 38 MET CE :methyl -170:sc= 0 (180deg=-0.0818) USER MOD Single : A 41 THR OG1 : rot -157:sc= 0.692 USER MOD Single : A 42 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.067) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 159:sc= 0.452 USER MOD Single : A 61 CYS SG : rot -171:sc= 0.0665 USER MOD Single : A 65 TYR OH : rot 142:sc= 0.111 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.24) USER MOD Single : A 73 SER OG : rot -86:sc= 0.187 USER MOD Single : A 76 SER OG : rot 103:sc= 0.553 USER MOD Single : A 81 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 84 GLN : amide:sc= 0.866 K(o=0.87,f=-0.48) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 99:sc= 0.00175 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.0203 K(o=0.02,f=-4!) USER MOD Single : A 102 GLN : amide:sc= 0.68 K(o=0.68,f=-0.17) USER MOD Single : A 105 MET CE :methyl -179:sc=-0.00708 (180deg=-0.01) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 143 CYS SG : rot -120:sc= 0.0433 USER MOD Single : A 145 ASN : amide:sc= 0.84 K(o=0.84,f=-0.067) USER MOD Single : A 147 ASN : amide:sc= 0.28 K(o=0.28,f=-2.5!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 6.240 -1.170 -11.170 1.00 0.00 N ATOM 234 CA THR A 19 5.673 0.187 -11.005 1.00 0.00 C ATOM 235 C THR A 19 4.144 0.241 -10.972 1.00 0.00 C ATOM 236 O THR A 19 3.588 1.136 -10.340 1.00 0.00 O ATOM 237 CB THR A 19 6.330 1.169 -11.985 1.00 0.00 C ATOM 238 OG1 THR A 19 5.794 2.464 -11.822 1.00 0.00 O ATOM 239 CG2 THR A 19 6.169 0.741 -13.438 1.00 0.00 C ATOM 0 HA THR A 19 5.932 0.521 -10.000 1.00 0.00 H new ATOM 0 HB THR A 19 7.395 1.172 -11.752 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.224 3.078 -12.453 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.652 1.471 -14.088 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.631 -0.236 -13.583 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.109 0.681 -13.684 1.00 0.00 H new ATOM 247 N LYS A 20 3.438 -0.740 -11.549 1.00 0.00 N ATOM 248 CA LYS A 20 1.996 -0.925 -11.321 1.00 0.00 C ATOM 249 C LYS A 20 1.818 -1.795 -10.066 1.00 0.00 C ATOM 250 O LYS A 20 1.784 -3.027 -10.132 1.00 0.00 O ATOM 251 CB LYS A 20 1.298 -1.532 -12.552 1.00 0.00 C ATOM 252 CG LYS A 20 0.808 -0.498 -13.574 1.00 0.00 C ATOM 253 CD LYS A 20 1.931 0.252 -14.308 1.00 0.00 C ATOM 254 CE LYS A 20 1.502 0.711 -15.712 1.00 0.00 C ATOM 255 NZ LYS A 20 0.386 1.691 -15.691 1.00 0.00 N ATOM 0 H LYS A 20 3.846 -1.426 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 20 1.520 0.042 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.989 -2.215 -13.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.447 -2.126 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.182 -1.002 -14.311 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.176 0.229 -13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.231 1.119 -13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.804 -0.395 -14.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.358 1.156 -16.219 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.202 -0.159 -16.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.233 2.063 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.481 1.223 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.624 2.474 -15.049 1.00 0.00 H new ATOM 269 N PHE A 21 1.748 -1.150 -8.906 1.00 0.00 N ATOM 270 CA PHE A 21 1.723 -1.812 -7.603 1.00 0.00 C ATOM 271 C PHE A 21 0.291 -2.203 -7.225 1.00 0.00 C ATOM 272 O PHE A 21 -0.566 -1.341 -7.039 1.00 0.00 O ATOM 273 CB PHE A 21 2.349 -0.887 -6.550 1.00 0.00 C ATOM 274 CG PHE A 21 3.817 -0.575 -6.772 1.00 0.00 C ATOM 275 CD1 PHE A 21 4.788 -1.556 -6.500 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.218 0.696 -7.227 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.154 -1.266 -6.672 1.00 0.00 C ATOM 278 CE2 PHE A 21 5.584 0.990 -7.382 1.00 0.00 C ATOM 279 CZ PHE A 21 6.553 0.012 -7.096 1.00 0.00 C ATOM 0 H PHE A 21 1.706 -0.133 -8.842 1.00 0.00 H new ATOM 0 HA PHE A 21 2.308 -2.730 -7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.791 0.049 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.234 -1.346 -5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.484 -2.534 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.475 1.446 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.896 -2.026 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.890 1.969 -7.721 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.603 0.243 -7.202 1.00 0.00 H new ATOM 289 N LYS A 22 0.032 -3.506 -7.077 1.00 0.00 N ATOM 290 CA LYS A 22 -1.238 -4.006 -6.538 1.00 0.00 C ATOM 291 C LYS A 22 -1.415 -3.517 -5.090 1.00 0.00 C ATOM 292 O LYS A 22 -0.567 -3.790 -4.240 1.00 0.00 O ATOM 293 CB LYS A 22 -1.259 -5.546 -6.591 1.00 0.00 C ATOM 294 CG LYS A 22 -1.202 -6.154 -8.001 1.00 0.00 C ATOM 295 CD LYS A 22 -2.446 -5.847 -8.848 1.00 0.00 C ATOM 296 CE LYS A 22 -2.463 -6.623 -10.175 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.750 -8.072 -9.989 1.00 0.00 N ATOM 0 H LYS A 22 0.693 -4.242 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.062 -3.625 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.415 -5.925 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.165 -5.898 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.319 -5.777 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.085 -7.235 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.341 -6.093 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.485 -4.778 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.214 -6.190 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.499 -6.508 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.783 -8.541 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.001 -8.503 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.666 -8.186 -9.511 1.00 0.00 H new ATOM 311 N VAL A 23 -2.503 -2.803 -4.812 1.00 0.00 N ATOM 312 CA VAL A 23 -2.786 -2.206 -3.491 1.00 0.00 C ATOM 313 C VAL A 23 -4.232 -2.453 -3.057 1.00 0.00 C ATOM 314 O VAL A 23 -5.121 -2.628 -3.891 1.00 0.00 O ATOM 315 CB VAL A 23 -2.466 -0.692 -3.426 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.963 -0.397 -3.511 1.00 0.00 C ATOM 317 CG2 VAL A 23 -3.218 0.164 -4.454 1.00 0.00 C ATOM 0 H VAL A 23 -3.230 -2.615 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.116 -2.710 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.830 -0.400 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.800 0.680 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.450 -0.881 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.570 -0.780 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.933 1.209 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.965 -0.170 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.292 0.061 -4.297 1.00 0.00 H new ATOM 327 N THR A 24 -4.463 -2.432 -1.740 1.00 0.00 N ATOM 328 CA THR A 24 -5.795 -2.512 -1.128 1.00 0.00 C ATOM 329 C THR A 24 -5.865 -1.516 0.017 1.00 0.00 C ATOM 330 O THR A 24 -5.069 -1.591 0.950 1.00 0.00 O ATOM 331 CB THR A 24 -6.094 -3.934 -0.634 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.826 -4.868 -1.656 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.558 -4.094 -0.230 1.00 0.00 C ATOM 0 H THR A 24 -3.712 -2.357 -1.054 1.00 0.00 H new ATOM 0 HA THR A 24 -6.550 -2.267 -1.875 1.00 0.00 H new ATOM 0 HB THR A 24 -5.458 -4.111 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.018 -5.772 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.731 -5.114 0.114 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.792 -3.395 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.197 -3.887 -1.089 1.00 0.00 H new ATOM 341 N ASN A 25 -6.797 -0.570 -0.064 1.00 0.00 N ATOM 342 CA ASN A 25 -7.021 0.435 0.974 1.00 0.00 C ATOM 343 C ASN A 25 -7.593 -0.218 2.245 1.00 0.00 C ATOM 344 O ASN A 25 -8.418 -1.131 2.147 1.00 0.00 O ATOM 345 CB ASN A 25 -7.960 1.518 0.419 1.00 0.00 C ATOM 346 CG ASN A 25 -8.171 2.675 1.390 1.00 0.00 C ATOM 347 OD1 ASN A 25 -7.128 3.395 1.763 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -9.280 2.937 1.835 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.426 -0.478 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.075 0.899 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.550 1.904 -0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.924 1.069 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.088 2.384 1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.397 3.709 2.491 1.00 0.00 H new ATOM 355 N VAL A 26 -7.168 0.249 3.423 1.00 0.00 N ATOM 356 CA VAL A 26 -7.562 -0.335 4.720 1.00 0.00 C ATOM 357 C VAL A 26 -8.053 0.720 5.716 1.00 0.00 C ATOM 358 O VAL A 26 -7.657 1.884 5.650 1.00 0.00 O ATOM 359 CB VAL A 26 -6.441 -1.195 5.351 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.123 -2.441 4.507 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.139 -0.415 5.614 1.00 0.00 C ATOM 0 H VAL A 26 -6.538 1.046 3.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.400 -0.995 4.496 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.843 -1.504 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.331 -3.014 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.016 -3.059 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.796 -2.134 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.399 -1.081 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.755 -0.020 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.341 0.409 6.298 1.00 0.00 H new ATOM 371 N ASP A 27 -8.915 0.289 6.644 1.00 0.00 N ATOM 372 CA ASP A 27 -9.364 1.088 7.791 1.00 0.00 C ATOM 373 C ASP A 27 -8.327 1.132 8.937 1.00 0.00 C ATOM 374 O ASP A 27 -7.217 0.604 8.831 1.00 0.00 O ATOM 375 CB ASP A 27 -10.752 0.604 8.263 1.00 0.00 C ATOM 376 CG ASP A 27 -10.768 -0.692 9.096 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.757 -1.429 9.121 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.816 -0.962 9.730 1.00 0.00 O ATOM 0 H ASP A 27 -9.328 -0.643 6.619 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.461 2.122 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.210 1.398 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.381 0.456 7.385 1.00 0.00 H new ATOM 383 N ASP A 28 -8.695 1.753 10.061 1.00 0.00 N ATOM 384 CA ASP A 28 -7.843 1.918 11.249 1.00 0.00 C ATOM 385 C ASP A 28 -7.553 0.616 12.025 1.00 0.00 C ATOM 386 O ASP A 28 -6.661 0.582 12.874 1.00 0.00 O ATOM 387 CB ASP A 28 -8.474 2.976 12.162 1.00 0.00 C ATOM 388 CG ASP A 28 -9.786 2.519 12.825 1.00 0.00 C ATOM 389 OD1 ASP A 28 -10.801 2.373 12.104 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.803 2.348 14.067 1.00 0.00 O ATOM 0 H ASP A 28 -9.620 2.168 10.176 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.865 2.242 10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.759 3.245 12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.666 3.877 11.580 1.00 0.00 H new ATOM 395 N GLU A 29 -8.277 -0.454 11.693 1.00 0.00 N ATOM 396 CA GLU A 29 -8.082 -1.825 12.185 1.00 0.00 C ATOM 397 C GLU A 29 -7.371 -2.734 11.153 1.00 0.00 C ATOM 398 O GLU A 29 -7.117 -3.908 11.436 1.00 0.00 O ATOM 399 CB GLU A 29 -9.443 -2.421 12.596 1.00 0.00 C ATOM 400 CG GLU A 29 -10.029 -1.806 13.876 1.00 0.00 C ATOM 401 CD GLU A 29 -9.283 -2.282 15.133 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.541 -3.418 15.597 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.447 -1.525 15.681 1.00 0.00 O ATOM 0 H GLU A 29 -9.057 -0.387 11.039 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.425 -1.777 13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.152 -2.281 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.330 -3.496 12.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.978 -0.719 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.083 -2.071 13.957 1.00 0.00 H new ATOM 410 N GLY A 30 -7.026 -2.215 9.964 1.00 0.00 N ATOM 411 CA GLY A 30 -6.307 -2.940 8.907 1.00 0.00 C ATOM 412 C GLY A 30 -7.190 -3.829 8.021 1.00 0.00 C ATOM 413 O GLY A 30 -6.657 -4.683 7.316 1.00 0.00 O ATOM 0 H GLY A 30 -7.246 -1.253 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.794 -2.216 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.539 -3.560 9.369 1.00 0.00 H new ATOM 417 N VAL A 31 -8.515 -3.652 8.049 1.00 0.00 N ATOM 418 CA VAL A 31 -9.494 -4.455 7.289 1.00 0.00 C ATOM 419 C VAL A 31 -9.536 -3.985 5.831 1.00 0.00 C ATOM 420 O VAL A 31 -9.689 -2.792 5.580 1.00 0.00 O ATOM 421 CB VAL A 31 -10.909 -4.364 7.919 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.926 -5.245 7.170 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.900 -4.794 9.397 1.00 0.00 C ATOM 0 H VAL A 31 -8.954 -2.927 8.616 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.177 -5.497 7.324 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.205 -3.318 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.904 -5.153 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.993 -4.921 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.602 -6.285 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.908 -4.717 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.555 -5.825 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.230 -4.145 9.961 1.00 0.00 H new ATOM 433 N GLU A 32 -9.415 -4.922 4.879 1.00 0.00 N ATOM 434 CA GLU A 32 -9.483 -4.661 3.430 1.00 0.00 C ATOM 435 C GLU A 32 -10.829 -4.034 3.025 1.00 0.00 C ATOM 436 O GLU A 32 -11.892 -4.614 3.274 1.00 0.00 O ATOM 437 CB GLU A 32 -9.292 -5.966 2.632 1.00 0.00 C ATOM 438 CG GLU A 32 -7.865 -6.526 2.672 1.00 0.00 C ATOM 439 CD GLU A 32 -7.777 -7.846 1.879 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.870 -7.825 0.624 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.618 -8.916 2.522 1.00 0.00 O ATOM 0 H GLU A 32 -9.263 -5.906 5.099 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.681 -3.960 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.977 -6.720 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.571 -5.787 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.171 -5.797 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.564 -6.696 3.706 1.00 0.00 H new ATOM 448 N LEU A 33 -10.780 -2.869 2.365 1.00 0.00 N ATOM 449 CA LEU A 33 -11.960 -2.132 1.897 1.00 0.00 C ATOM 450 C LEU A 33 -12.120 -2.243 0.374 1.00 0.00 C ATOM 451 O LEU A 33 -13.052 -2.894 -0.102 1.00 0.00 O ATOM 452 CB LEU A 33 -11.882 -0.663 2.364 1.00 0.00 C ATOM 453 CG LEU A 33 -11.728 -0.454 3.885 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.668 1.050 4.170 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.864 -1.096 4.695 1.00 0.00 C ATOM 0 H LEU A 33 -9.901 -2.404 2.137 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.851 -2.580 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.040 -0.185 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.784 -0.147 2.034 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.807 -0.947 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.559 1.213 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.816 1.485 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.586 1.523 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.700 -0.915 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.817 -0.659 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.882 -2.170 4.508 1.00 0.00 H new ATOM 467 N GLY A 34 -11.207 -1.631 -0.392 1.00 0.00 N ATOM 468 CA GLY A 34 -11.249 -1.575 -1.859 1.00 0.00 C ATOM 469 C GLY A 34 -9.878 -1.773 -2.494 1.00 0.00 C ATOM 470 O GLY A 34 -8.876 -1.254 -2.004 1.00 0.00 O ATOM 0 H GLY A 34 -10.399 -1.149 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.930 -2.341 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.654 -0.612 -2.170 1.00 0.00 H new ATOM 474 N SER A 35 -9.832 -2.510 -3.599 1.00 0.00 N ATOM 475 CA SER A 35 -8.618 -2.803 -4.366 1.00 0.00 C ATOM 476 C SER A 35 -8.338 -1.762 -5.472 1.00 0.00 C ATOM 477 O SER A 35 -9.238 -1.073 -5.967 1.00 0.00 O ATOM 478 CB SER A 35 -8.699 -4.232 -4.929 1.00 0.00 C ATOM 479 OG SER A 35 -9.952 -4.503 -5.552 1.00 0.00 O ATOM 0 H SER A 35 -10.666 -2.936 -4.002 1.00 0.00 H new ATOM 0 HA SER A 35 -7.768 -2.736 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.898 -4.380 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.536 -4.947 -4.122 1.00 0.00 H new ATOM 0 HG SER A 35 -9.955 -5.421 -5.895 1.00 0.00 H new ATOM 485 N GLY A 36 -7.056 -1.615 -5.829 1.00 0.00 N ATOM 486 CA GLY A 36 -6.559 -0.666 -6.827 1.00 0.00 C ATOM 487 C GLY A 36 -5.137 -0.969 -7.308 1.00 0.00 C ATOM 488 O GLY A 36 -4.468 -1.872 -6.797 1.00 0.00 O ATOM 0 H GLY A 36 -6.311 -2.175 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.232 -0.668 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.584 0.339 -6.405 1.00 0.00 H new ATOM 492 N VAL A 37 -4.675 -0.178 -8.275 1.00 0.00 N ATOM 493 CA VAL A 37 -3.300 -0.199 -8.795 1.00 0.00 C ATOM 494 C VAL A 37 -2.671 1.179 -8.594 1.00 0.00 C ATOM 495 O VAL A 37 -3.097 2.162 -9.199 1.00 0.00 O ATOM 496 CB VAL A 37 -3.250 -0.609 -10.286 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.804 -0.605 -10.813 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.850 -2.011 -10.493 1.00 0.00 C ATOM 0 H VAL A 37 -5.262 0.518 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.734 -0.949 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.838 0.123 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.799 -0.897 -11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.383 0.395 -10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.205 -1.311 -10.237 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.803 -2.275 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.284 -2.739 -9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.889 -2.014 -10.165 1.00 0.00 H new ATOM 508 N MET A 38 -1.643 1.242 -7.748 1.00 0.00 N ATOM 509 CA MET A 38 -0.863 2.452 -7.473 1.00 0.00 C ATOM 510 C MET A 38 0.292 2.578 -8.476 1.00 0.00 C ATOM 511 O MET A 38 0.842 1.579 -8.938 1.00 0.00 O ATOM 512 CB MET A 38 -0.400 2.416 -6.008 1.00 0.00 C ATOM 513 CG MET A 38 0.292 3.707 -5.557 1.00 0.00 C ATOM 514 SD MET A 38 0.683 3.758 -3.788 1.00 0.00 S ATOM 515 CE MET A 38 -0.961 4.087 -3.098 1.00 0.00 C ATOM 0 H MET A 38 -1.320 0.431 -7.220 1.00 0.00 H new ATOM 0 HA MET A 38 -1.472 3.347 -7.604 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.262 2.231 -5.367 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.284 1.579 -5.871 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.214 3.830 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.349 4.554 -5.801 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.870 4.324 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.413 4.930 -3.621 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.590 3.205 -3.220 1.00 0.00 H new ATOM 525 N GLU A 39 0.637 3.812 -8.829 1.00 0.00 N ATOM 526 CA GLU A 39 1.572 4.167 -9.899 1.00 0.00 C ATOM 527 C GLU A 39 2.329 5.451 -9.534 1.00 0.00 C ATOM 528 O GLU A 39 1.734 6.441 -9.108 1.00 0.00 O ATOM 529 CB GLU A 39 0.773 4.328 -11.204 1.00 0.00 C ATOM 530 CG GLU A 39 1.597 4.870 -12.378 1.00 0.00 C ATOM 531 CD GLU A 39 0.746 4.902 -13.649 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.218 5.699 -13.726 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.023 4.099 -14.568 1.00 0.00 O ATOM 0 H GLU A 39 0.256 4.632 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 39 2.317 3.383 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.355 3.361 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.067 4.999 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.957 5.873 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.475 4.244 -12.535 1.00 0.00 H new ATOM 540 N LEU A 40 3.652 5.439 -9.704 1.00 0.00 N ATOM 541 CA LEU A 40 4.534 6.574 -9.425 1.00 0.00 C ATOM 542 C LEU A 40 5.225 6.989 -10.735 1.00 0.00 C ATOM 543 O LEU A 40 5.946 6.184 -11.335 1.00 0.00 O ATOM 544 CB LEU A 40 5.555 6.175 -8.337 1.00 0.00 C ATOM 545 CG LEU A 40 5.067 6.295 -6.876 1.00 0.00 C ATOM 546 CD1 LEU A 40 4.013 5.260 -6.459 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.267 6.161 -5.930 1.00 0.00 C ATOM 0 H LEU A 40 4.152 4.620 -10.048 1.00 0.00 H new ATOM 0 HA LEU A 40 3.968 7.426 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.861 5.144 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.443 6.795 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 40 4.588 7.272 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.733 5.425 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.132 5.363 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.425 4.257 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.928 6.245 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.741 5.191 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.987 6.952 -6.141 1.00 0.00 H new ATOM 559 N THR A 41 4.989 8.228 -11.187 1.00 0.00 N ATOM 560 CA THR A 41 5.537 8.783 -12.441 1.00 0.00 C ATOM 561 C THR A 41 6.692 9.736 -12.141 1.00 0.00 C ATOM 562 O THR A 41 6.943 10.087 -10.992 1.00 0.00 O ATOM 563 CB THR A 41 4.443 9.475 -13.278 1.00 0.00 C ATOM 564 OG1 THR A 41 4.090 10.709 -12.687 1.00 0.00 O ATOM 565 CG2 THR A 41 3.187 8.613 -13.437 1.00 0.00 C ATOM 0 H THR A 41 4.399 8.890 -10.683 1.00 0.00 H new ATOM 0 HA THR A 41 5.922 7.956 -13.037 1.00 0.00 H new ATOM 0 HB THR A 41 4.861 9.635 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.189 10.964 -12.976 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.451 9.150 -14.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.447 7.679 -13.935 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.768 8.396 -12.454 1.00 0.00 H new ATOM 573 N GLN A 42 7.380 10.229 -13.174 1.00 0.00 N ATOM 574 CA GLN A 42 8.374 11.299 -13.002 1.00 0.00 C ATOM 575 C GLN A 42 7.733 12.629 -12.542 1.00 0.00 C ATOM 576 O GLN A 42 8.448 13.553 -12.166 1.00 0.00 O ATOM 577 CB GLN A 42 9.168 11.443 -14.310 1.00 0.00 C ATOM 578 CG GLN A 42 10.503 12.211 -14.204 1.00 0.00 C ATOM 579 CD GLN A 42 10.426 13.728 -14.447 1.00 0.00 C ATOM 580 OE1 GLN A 42 10.991 14.537 -13.716 1.00 0.00 O ATOM 581 NE2 GLN A 42 9.789 14.184 -15.511 1.00 0.00 N ATOM 0 H GLN A 42 7.270 9.908 -14.136 1.00 0.00 H new ATOM 0 HA GLN A 42 9.061 11.028 -12.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.374 10.446 -14.700 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.537 11.947 -15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.919 12.042 -13.211 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.204 11.783 -14.920 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.311 13.535 -16.136 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.776 15.185 -15.707 1.00 0.00 H new ATOM 590 N SER A 43 6.397 12.737 -12.527 1.00 0.00 N ATOM 591 CA SER A 43 5.681 13.957 -12.143 1.00 0.00 C ATOM 592 C SER A 43 4.935 13.857 -10.793 1.00 0.00 C ATOM 593 O SER A 43 4.979 14.822 -10.025 1.00 0.00 O ATOM 594 CB SER A 43 4.720 14.363 -13.268 1.00 0.00 C ATOM 595 OG SER A 43 5.417 14.656 -14.477 1.00 0.00 O ATOM 0 H SER A 43 5.778 11.969 -12.785 1.00 0.00 H new ATOM 0 HA SER A 43 6.437 14.728 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.006 13.558 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.145 15.236 -12.958 1.00 0.00 H new ATOM 0 HG SER A 43 4.774 14.909 -15.172 1.00 0.00 H new ATOM 601 N GLU A 44 4.269 12.735 -10.461 1.00 0.00 N ATOM 602 CA GLU A 44 3.453 12.604 -9.254 1.00 0.00 C ATOM 603 C GLU A 44 3.096 11.152 -8.867 1.00 0.00 C ATOM 604 O GLU A 44 3.321 10.196 -9.618 1.00 0.00 O ATOM 605 CB GLU A 44 2.165 13.439 -9.409 1.00 0.00 C ATOM 606 CG GLU A 44 1.218 12.939 -10.508 1.00 0.00 C ATOM 607 CD GLU A 44 1.556 13.432 -11.923 1.00 0.00 C ATOM 608 OE1 GLU A 44 1.681 14.661 -12.125 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.571 12.598 -12.861 1.00 0.00 O ATOM 0 H GLU A 44 4.287 11.890 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 44 4.069 12.979 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.631 13.442 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.439 14.472 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.226 11.849 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.203 13.251 -10.263 1.00 0.00 H new ATOM 616 N LEU A 45 2.478 11.001 -7.689 1.00 0.00 N ATOM 617 CA LEU A 45 1.844 9.761 -7.234 1.00 0.00 C ATOM 618 C LEU A 45 0.442 9.686 -7.863 1.00 0.00 C ATOM 619 O LEU A 45 -0.307 10.661 -7.813 1.00 0.00 O ATOM 620 CB LEU A 45 1.777 9.778 -5.687 1.00 0.00 C ATOM 621 CG LEU A 45 2.096 8.430 -5.008 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.005 8.579 -3.483 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.167 7.297 -5.459 1.00 0.00 C ATOM 0 H LEU A 45 2.404 11.758 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 45 2.412 8.882 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.474 10.529 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.778 10.093 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 45 3.108 8.161 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.231 7.623 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.721 9.329 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.998 8.891 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.442 6.375 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.136 7.554 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.262 7.155 -6.536 1.00 0.00 H new ATOM 635 N VAL A 46 0.080 8.538 -8.433 1.00 0.00 N ATOM 636 CA VAL A 46 -1.214 8.260 -9.073 1.00 0.00 C ATOM 637 C VAL A 46 -1.778 6.949 -8.513 1.00 0.00 C ATOM 638 O VAL A 46 -1.029 6.029 -8.181 1.00 0.00 O ATOM 639 CB VAL A 46 -1.078 8.179 -10.617 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.458 8.132 -11.299 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.295 9.367 -11.209 1.00 0.00 C ATOM 0 H VAL A 46 0.708 7.735 -8.465 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.898 9.079 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.526 7.259 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.328 8.076 -12.380 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.005 7.255 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.019 9.032 -11.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.231 9.257 -12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.809 10.298 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.710 9.387 -10.787 1.00 0.00 H new ATOM 651 N LEU A 47 -3.102 6.844 -8.410 1.00 0.00 N ATOM 652 CA LEU A 47 -3.801 5.649 -7.945 1.00 0.00 C ATOM 653 C LEU A 47 -5.058 5.435 -8.787 1.00 0.00 C ATOM 654 O LEU A 47 -5.915 6.315 -8.882 1.00 0.00 O ATOM 655 CB LEU A 47 -4.115 5.791 -6.440 1.00 0.00 C ATOM 656 CG LEU A 47 -4.017 4.488 -5.619 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.539 4.728 -4.200 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.782 3.306 -6.223 1.00 0.00 C ATOM 0 H LEU A 47 -3.733 7.607 -8.654 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.173 4.766 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.431 6.523 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.122 6.194 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.961 4.220 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.467 3.805 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.942 5.502 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.580 5.048 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.662 2.430 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.840 3.557 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.390 3.088 -7.216 1.00 0.00 H new ATOM 670 N HIS A 48 -5.146 4.252 -9.388 1.00 0.00 N ATOM 671 CA HIS A 48 -6.237 3.780 -10.238 1.00 0.00 C ATOM 672 C HIS A 48 -7.097 2.756 -9.472 1.00 0.00 C ATOM 673 O HIS A 48 -6.567 1.760 -8.970 1.00 0.00 O ATOM 674 CB HIS A 48 -5.608 3.143 -11.488 1.00 0.00 C ATOM 675 CG HIS A 48 -4.714 4.078 -12.264 1.00 0.00 C ATOM 676 ND1 HIS A 48 -5.148 5.087 -13.127 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.349 4.077 -12.230 1.00 0.00 C ATOM 678 CE1 HIS A 48 -4.029 5.666 -13.594 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.933 5.082 -13.075 1.00 0.00 N ATOM 0 H HIS A 48 -4.411 3.552 -9.289 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.889 4.604 -10.528 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.030 2.269 -11.187 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.404 2.789 -12.143 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.718 3.417 -11.653 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.011 6.490 -14.292 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.966 5.338 -13.272 1.00 0.00 H new ATOM 687 N LEU A 49 -8.409 2.988 -9.372 1.00 0.00 N ATOM 688 CA LEU A 49 -9.351 2.153 -8.619 1.00 0.00 C ATOM 689 C LEU A 49 -10.448 1.608 -9.546 1.00 0.00 C ATOM 690 O LEU A 49 -10.865 2.269 -10.497 1.00 0.00 O ATOM 691 CB LEU A 49 -9.949 2.966 -7.454 1.00 0.00 C ATOM 692 CG LEU A 49 -8.933 3.428 -6.385 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.366 4.830 -6.675 1.00 0.00 C ATOM 694 CD2 LEU A 49 -9.615 3.480 -5.014 1.00 0.00 C ATOM 0 H LEU A 49 -8.858 3.784 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.820 1.297 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.447 3.845 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.716 2.363 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.114 2.708 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.658 5.105 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.858 4.825 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.180 5.554 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.896 3.806 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.448 4.182 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.987 2.489 -4.755 1.00 0.00 H new ATOM 786 N ALA A 54 -9.603 8.000 -10.948 1.00 0.00 N ATOM 787 CA ALA A 54 -8.209 7.960 -10.501 1.00 0.00 C ATOM 788 C ALA A 54 -7.911 9.135 -9.546 1.00 0.00 C ATOM 789 O ALA A 54 -8.470 10.224 -9.705 1.00 0.00 O ATOM 790 CB ALA A 54 -7.289 7.960 -11.729 1.00 0.00 C ATOM 0 HA ALA A 54 -8.024 7.046 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.249 7.930 -11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.502 7.085 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.461 8.864 -12.313 1.00 0.00 H new ATOM 796 N VAL A 55 -7.020 8.926 -8.572 1.00 0.00 N ATOM 797 CA VAL A 55 -6.647 9.922 -7.544 1.00 0.00 C ATOM 798 C VAL A 55 -5.154 10.236 -7.651 1.00 0.00 C ATOM 799 O VAL A 55 -4.348 9.329 -7.840 1.00 0.00 O ATOM 800 CB VAL A 55 -7.017 9.459 -6.113 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.759 10.583 -5.095 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.499 9.051 -6.011 1.00 0.00 C ATOM 0 H VAL A 55 -6.523 8.042 -8.468 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.221 10.829 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.390 8.595 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.025 10.237 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.704 10.857 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.364 11.452 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.719 8.732 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.129 9.902 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.698 8.230 -6.699 1.00 0.00 H new ATOM 812 N ARG A 56 -4.799 11.524 -7.566 1.00 0.00 N ATOM 813 CA ARG A 56 -3.451 12.046 -7.820 1.00 0.00 C ATOM 814 C ARG A 56 -2.949 12.916 -6.660 1.00 0.00 C ATOM 815 O ARG A 56 -3.693 13.754 -6.142 1.00 0.00 O ATOM 816 CB ARG A 56 -3.483 12.868 -9.118 1.00 0.00 C ATOM 817 CG ARG A 56 -3.639 11.985 -10.365 1.00 0.00 C ATOM 818 CD ARG A 56 -3.880 12.838 -11.618 1.00 0.00 C ATOM 819 NE ARG A 56 -3.527 12.101 -12.849 1.00 0.00 N ATOM 820 CZ ARG A 56 -2.311 11.992 -13.376 1.00 0.00 C ATOM 821 NH1 ARG A 56 -1.277 12.612 -12.851 1.00 0.00 N ATOM 822 NH2 ARG A 56 -2.112 11.252 -14.444 1.00 0.00 N ATOM 0 H ARG A 56 -5.463 12.255 -7.310 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.762 11.206 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.308 13.580 -9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.564 13.449 -9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.743 11.379 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.472 11.296 -10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.927 13.138 -11.660 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.289 13.752 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.288 11.632 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.398 13.192 -12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.354 12.513 -13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.893 10.757 -14.874 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.176 11.173 -14.843 1.00 0.00 H new ATOM 836 N TRP A 57 -1.669 12.766 -6.308 1.00 0.00 N ATOM 837 CA TRP A 57 -0.979 13.541 -5.268 1.00 0.00 C ATOM 838 C TRP A 57 0.420 13.985 -5.748 1.00 0.00 C ATOM 839 O TRP A 57 1.286 13.124 -5.934 1.00 0.00 O ATOM 840 CB TRP A 57 -0.866 12.702 -3.986 1.00 0.00 C ATOM 841 CG TRP A 57 -2.155 12.252 -3.371 1.00 0.00 C ATOM 842 CD1 TRP A 57 -2.987 13.029 -2.645 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.773 10.926 -3.403 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.062 12.277 -2.212 1.00 0.00 N ATOM 845 CE2 TRP A 57 -3.969 10.968 -2.625 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.435 9.693 -3.999 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.775 9.831 -2.425 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.243 8.552 -3.813 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.410 8.620 -3.030 1.00 0.00 C ATOM 0 H TRP A 57 -1.062 12.078 -6.754 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.561 14.438 -5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.266 11.819 -4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.318 13.283 -3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.835 14.077 -2.435 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.831 12.647 -1.654 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.545 9.622 -4.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.663 9.891 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.963 7.617 -4.276 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.023 7.741 -2.895 1.00 0.00 H new ATOM 860 N PRO A 58 0.674 15.296 -5.947 1.00 0.00 N ATOM 861 CA PRO A 58 1.995 15.794 -6.319 1.00 0.00 C ATOM 862 C PRO A 58 2.978 15.619 -5.164 1.00 0.00 C ATOM 863 O PRO A 58 2.637 15.868 -4.009 1.00 0.00 O ATOM 864 CB PRO A 58 1.813 17.268 -6.684 1.00 0.00 C ATOM 865 CG PRO A 58 0.540 17.687 -5.955 1.00 0.00 C ATOM 866 CD PRO A 58 -0.275 16.400 -5.841 1.00 0.00 C ATOM 0 HA PRO A 58 2.409 15.240 -7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.668 17.864 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.716 17.401 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.764 18.104 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.002 18.452 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.809 16.362 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.024 16.344 -6.631 1.00 0.00 H new ATOM 874 N TYR A 59 4.213 15.224 -5.481 1.00 0.00 N ATOM 875 CA TYR A 59 5.246 14.928 -4.474 1.00 0.00 C ATOM 876 C TYR A 59 5.604 16.151 -3.617 1.00 0.00 C ATOM 877 O TYR A 59 5.865 16.028 -2.421 1.00 0.00 O ATOM 878 CB TYR A 59 6.505 14.382 -5.169 1.00 0.00 C ATOM 879 CG TYR A 59 6.338 13.111 -5.986 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.431 12.107 -5.589 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.130 12.915 -7.138 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.324 10.917 -6.324 1.00 0.00 C ATOM 883 CE2 TYR A 59 7.015 11.727 -7.886 1.00 0.00 C ATOM 884 CZ TYR A 59 6.113 10.723 -7.476 1.00 0.00 C ATOM 885 OH TYR A 59 5.978 9.575 -8.186 1.00 0.00 O ATOM 0 H TYR A 59 4.530 15.099 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 59 4.837 14.177 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.895 15.160 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.262 14.199 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.815 12.255 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.827 13.679 -7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.636 10.148 -6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.616 11.585 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 59 6.316 9.711 -9.096 1.00 0.00 H new ATOM 895 N LEU A 60 5.518 17.348 -4.204 1.00 0.00 N ATOM 896 CA LEU A 60 5.712 18.625 -3.514 1.00 0.00 C ATOM 897 C LEU A 60 4.616 18.955 -2.484 1.00 0.00 C ATOM 898 O LEU A 60 4.842 19.798 -1.614 1.00 0.00 O ATOM 899 CB LEU A 60 5.976 19.762 -4.518 1.00 0.00 C ATOM 900 CG LEU A 60 4.968 19.874 -5.683 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.792 21.348 -6.065 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.454 19.098 -6.919 1.00 0.00 C ATOM 0 H LEU A 60 5.306 17.458 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 60 6.611 18.517 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.982 20.707 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.974 19.628 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 60 4.021 19.447 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.081 21.428 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.418 21.904 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.752 21.761 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.723 19.197 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.411 19.502 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.573 18.045 -6.664 1.00 0.00 H new ATOM 914 N CYS A 61 3.474 18.253 -2.514 1.00 0.00 N ATOM 915 CA CYS A 61 2.441 18.300 -1.464 1.00 0.00 C ATOM 916 C CYS A 61 2.442 17.063 -0.537 1.00 0.00 C ATOM 917 O CYS A 61 1.505 16.902 0.244 1.00 0.00 O ATOM 918 CB CYS A 61 1.075 18.553 -2.117 1.00 0.00 C ATOM 919 SG CYS A 61 1.088 20.175 -2.942 1.00 0.00 S ATOM 0 H CYS A 61 3.236 17.625 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 61 2.675 19.129 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.854 17.767 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.288 18.523 -1.363 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.114 20.470 -3.339 1.00 0.00 H new ATOM 925 N LEU A 62 3.464 16.199 -0.583 1.00 0.00 N ATOM 926 CA LEU A 62 3.653 15.110 0.388 1.00 0.00 C ATOM 927 C LEU A 62 4.652 15.548 1.465 1.00 0.00 C ATOM 928 O LEU A 62 5.862 15.583 1.228 1.00 0.00 O ATOM 929 CB LEU A 62 4.114 13.826 -0.327 1.00 0.00 C ATOM 930 CG LEU A 62 3.123 13.273 -1.367 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.721 12.012 -1.994 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.756 12.946 -0.758 1.00 0.00 C ATOM 0 H LEU A 62 4.189 16.235 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 62 2.703 14.888 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.065 14.024 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.299 13.056 0.422 1.00 0.00 H new ATOM 0 HG LEU A 62 2.961 14.044 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.028 11.610 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.666 12.259 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.896 11.267 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.095 12.560 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.876 12.196 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.323 13.850 -0.330 1.00 0.00 H new ATOM 944 N ARG A 63 4.143 15.890 2.653 1.00 0.00 N ATOM 945 CA ARG A 63 4.976 16.339 3.778 1.00 0.00 C ATOM 946 C ARG A 63 5.662 15.170 4.496 1.00 0.00 C ATOM 947 O ARG A 63 6.812 15.328 4.914 1.00 0.00 O ATOM 948 CB ARG A 63 4.132 17.174 4.759 1.00 0.00 C ATOM 949 CG ARG A 63 3.673 18.523 4.177 1.00 0.00 C ATOM 950 CD ARG A 63 4.823 19.536 4.063 1.00 0.00 C ATOM 951 NE ARG A 63 4.391 20.770 3.375 1.00 0.00 N ATOM 952 CZ ARG A 63 4.420 20.999 2.063 1.00 0.00 C ATOM 953 NH1 ARG A 63 4.861 20.099 1.207 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.997 22.154 1.593 1.00 0.00 N ATOM 0 H ARG A 63 3.145 15.864 2.864 1.00 0.00 H new ATOM 0 HA ARG A 63 5.771 16.965 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.255 16.597 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.713 17.356 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.237 18.360 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.888 18.939 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.192 19.783 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.653 19.086 3.518 1.00 0.00 H new ATOM 0 HE ARG A 63 4.035 21.523 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.193 19.195 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.870 20.306 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.649 22.868 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.017 22.334 0.589 1.00 0.00 H new ATOM 968 N ARG A 64 5.011 13.999 4.585 1.00 0.00 N ATOM 969 CA ARG A 64 5.566 12.792 5.216 1.00 0.00 C ATOM 970 C ARG A 64 4.959 11.492 4.677 1.00 0.00 C ATOM 971 O ARG A 64 3.820 11.463 4.207 1.00 0.00 O ATOM 972 CB ARG A 64 5.497 12.891 6.756 1.00 0.00 C ATOM 973 CG ARG A 64 4.070 12.829 7.325 1.00 0.00 C ATOM 974 CD ARG A 64 4.037 12.931 8.855 1.00 0.00 C ATOM 975 NE ARG A 64 4.241 14.317 9.318 1.00 0.00 N ATOM 976 CZ ARG A 64 4.213 14.732 10.581 1.00 0.00 C ATOM 977 NH1 ARG A 64 4.024 13.902 11.585 1.00 0.00 N ATOM 978 NH2 ARG A 64 4.378 16.009 10.852 1.00 0.00 N ATOM 0 H ARG A 64 4.070 13.863 4.215 1.00 0.00 H new ATOM 0 HA ARG A 64 6.619 12.745 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.085 12.081 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.962 13.825 7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.478 13.639 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.601 11.894 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.079 12.562 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.810 12.289 9.278 1.00 0.00 H new ATOM 0 HE ARG A 64 4.420 15.022 8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.893 12.906 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.008 14.254 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.527 16.676 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.357 16.332 11.819 1.00 0.00 H new ATOM 992 N TYR A 65 5.734 10.416 4.765 1.00 0.00 N ATOM 993 CA TYR A 65 5.477 9.105 4.163 1.00 0.00 C ATOM 994 C TYR A 65 6.327 8.018 4.839 1.00 0.00 C ATOM 995 O TYR A 65 7.439 8.284 5.286 1.00 0.00 O ATOM 996 CB TYR A 65 5.712 9.172 2.641 1.00 0.00 C ATOM 997 CG TYR A 65 7.065 9.722 2.209 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.179 8.868 2.123 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.209 11.084 1.877 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.437 9.358 1.725 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.463 11.592 1.488 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.582 10.732 1.418 1.00 0.00 C ATOM 1003 OH TYR A 65 10.789 11.231 1.041 1.00 0.00 O ATOM 0 H TYR A 65 6.610 10.433 5.288 1.00 0.00 H new ATOM 0 HA TYR A 65 4.434 8.832 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.599 8.169 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.930 9.789 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.068 7.822 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.353 11.741 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.284 8.692 1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.570 12.638 1.243 1.00 0.00 H new ATOM 0 HH TYR A 65 10.661 11.900 0.336 1.00 0.00 H new ATOM 1013 N GLY A 66 5.800 6.795 4.936 1.00 0.00 N ATOM 1014 CA GLY A 66 6.398 5.676 5.667 1.00 0.00 C ATOM 1015 C GLY A 66 5.958 4.314 5.143 1.00 0.00 C ATOM 1016 O GLY A 66 5.060 4.203 4.307 1.00 0.00 O ATOM 0 H GLY A 66 4.915 6.549 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.484 5.749 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.133 5.756 6.721 1.00 0.00 H new ATOM 1020 N TYR A 67 6.618 3.260 5.615 1.00 0.00 N ATOM 1021 CA TYR A 67 6.402 1.897 5.123 1.00 0.00 C ATOM 1022 C TYR A 67 6.780 0.812 6.144 1.00 0.00 C ATOM 1023 O TYR A 67 7.809 0.871 6.818 1.00 0.00 O ATOM 1024 CB TYR A 67 7.148 1.687 3.792 1.00 0.00 C ATOM 1025 CG TYR A 67 8.618 1.331 3.924 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.550 2.291 4.365 1.00 0.00 C ATOM 1027 CD2 TYR A 67 9.051 0.020 3.643 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.909 1.956 4.501 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.410 -0.325 3.782 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.346 0.647 4.201 1.00 0.00 C ATOM 1031 OH TYR A 67 12.667 0.328 4.324 1.00 0.00 O ATOM 0 H TYR A 67 7.320 3.324 6.352 1.00 0.00 H new ATOM 0 HA TYR A 67 5.330 1.789 4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.648 0.895 3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.063 2.597 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.218 3.292 4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.338 -0.724 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.618 2.699 4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.736 -1.332 3.568 1.00 0.00 H new ATOM 0 HH TYR A 67 12.801 -0.612 4.081 1.00 0.00 H new ATOM 1041 N ASP A 68 5.931 -0.210 6.220 1.00 0.00 N ATOM 1042 CA ASP A 68 6.162 -1.473 6.930 1.00 0.00 C ATOM 1043 C ASP A 68 6.427 -2.611 5.910 1.00 0.00 C ATOM 1044 O ASP A 68 6.438 -2.387 4.697 1.00 0.00 O ATOM 1045 CB ASP A 68 4.978 -1.760 7.876 1.00 0.00 C ATOM 1046 CG ASP A 68 5.405 -2.556 9.120 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.560 -3.793 9.005 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.577 -1.942 10.198 1.00 0.00 O ATOM 0 H ASP A 68 5.017 -0.182 5.767 1.00 0.00 H new ATOM 0 HA ASP A 68 7.053 -1.403 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.528 -0.817 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.211 -2.317 7.337 1.00 0.00 H new ATOM 1053 N SER A 69 6.621 -3.844 6.376 1.00 0.00 N ATOM 1054 CA SER A 69 6.968 -4.999 5.533 1.00 0.00 C ATOM 1055 C SER A 69 5.842 -5.448 4.577 1.00 0.00 C ATOM 1056 O SER A 69 6.096 -6.197 3.631 1.00 0.00 O ATOM 1057 CB SER A 69 7.380 -6.183 6.427 1.00 0.00 C ATOM 1058 OG SER A 69 8.476 -5.859 7.273 1.00 0.00 O ATOM 0 H SER A 69 6.541 -4.078 7.366 1.00 0.00 H new ATOM 0 HA SER A 69 7.794 -4.674 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.530 -6.489 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.646 -7.034 5.800 1.00 0.00 H new ATOM 0 HG SER A 69 8.704 -6.636 7.824 1.00 0.00 H new ATOM 1064 N ASN A 70 4.605 -4.979 4.802 1.00 0.00 N ATOM 1065 CA ASN A 70 3.398 -5.313 4.027 1.00 0.00 C ATOM 1066 C ASN A 70 2.412 -4.126 3.892 1.00 0.00 C ATOM 1067 O ASN A 70 1.258 -4.321 3.502 1.00 0.00 O ATOM 1068 CB ASN A 70 2.696 -6.533 4.663 1.00 0.00 C ATOM 1069 CG ASN A 70 3.560 -7.777 4.755 1.00 0.00 C ATOM 1070 OD1 ASN A 70 4.317 -7.972 5.700 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.434 -8.685 3.813 1.00 0.00 N ATOM 0 H ASN A 70 4.409 -4.328 5.562 1.00 0.00 H new ATOM 0 HA ASN A 70 3.721 -5.555 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.362 -6.263 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.804 -6.767 4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.966 -9.553 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.804 -8.521 3.028 1.00 0.00 H new ATOM 1078 N LEU A 71 2.830 -2.896 4.221 1.00 0.00 N ATOM 1079 CA LEU A 71 1.949 -1.724 4.346 1.00 0.00 C ATOM 1080 C LEU A 71 2.686 -0.445 3.931 1.00 0.00 C ATOM 1081 O LEU A 71 3.768 -0.168 4.439 1.00 0.00 O ATOM 1082 CB LEU A 71 1.462 -1.645 5.812 1.00 0.00 C ATOM 1083 CG LEU A 71 0.257 -0.707 6.035 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.057 -1.397 5.635 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.178 -0.291 7.510 1.00 0.00 C ATOM 0 H LEU A 71 3.809 -2.682 4.412 1.00 0.00 H new ATOM 0 HA LEU A 71 1.091 -1.824 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.194 -2.647 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.288 -1.310 6.439 1.00 0.00 H new ATOM 0 HG LEU A 71 0.398 0.175 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.891 -0.715 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.018 -1.672 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.195 -2.294 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.676 0.371 7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.060 -1.178 8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.093 0.230 7.791 1.00 0.00 H new ATOM 1097 N PHE A 72 2.093 0.349 3.037 1.00 0.00 N ATOM 1098 CA PHE A 72 2.583 1.672 2.647 1.00 0.00 C ATOM 1099 C PHE A 72 1.609 2.747 3.143 1.00 0.00 C ATOM 1100 O PHE A 72 0.397 2.608 2.985 1.00 0.00 O ATOM 1101 CB PHE A 72 2.737 1.717 1.118 1.00 0.00 C ATOM 1102 CG PHE A 72 3.052 3.099 0.576 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.262 3.737 0.916 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.109 3.770 -0.227 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.517 5.047 0.472 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.374 5.071 -0.686 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.571 5.714 -0.327 1.00 0.00 C ATOM 0 H PHE A 72 1.236 0.082 2.552 1.00 0.00 H new ATOM 0 HA PHE A 72 3.556 1.866 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.530 1.031 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.816 1.358 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.994 3.219 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.181 3.284 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.438 5.540 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.657 5.578 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.765 6.721 -0.665 1.00 0.00 H new ATOM 1117 N SER A 73 2.123 3.821 3.741 1.00 0.00 N ATOM 1118 CA SER A 73 1.291 4.925 4.260 1.00 0.00 C ATOM 1119 C SER A 73 1.901 6.315 4.011 1.00 0.00 C ATOM 1120 O SER A 73 3.121 6.487 4.020 1.00 0.00 O ATOM 1121 CB SER A 73 1.008 4.679 5.750 1.00 0.00 C ATOM 1122 OG SER A 73 0.105 5.633 6.290 1.00 0.00 O ATOM 0 H SER A 73 3.124 3.958 3.883 1.00 0.00 H new ATOM 0 HA SER A 73 0.352 4.930 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.596 3.678 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.945 4.713 6.306 1.00 0.00 H new ATOM 0 HG SER A 73 0.603 6.423 6.588 1.00 0.00 H new ATOM 1128 N PHE A 74 1.052 7.329 3.815 1.00 0.00 N ATOM 1129 CA PHE A 74 1.477 8.716 3.580 1.00 0.00 C ATOM 1130 C PHE A 74 0.445 9.759 4.034 1.00 0.00 C ATOM 1131 O PHE A 74 -0.733 9.457 4.237 1.00 0.00 O ATOM 1132 CB PHE A 74 1.877 8.915 2.107 1.00 0.00 C ATOM 1133 CG PHE A 74 0.719 8.830 1.134 1.00 0.00 C ATOM 1134 CD1 PHE A 74 0.358 7.586 0.586 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -0.011 9.986 0.790 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -0.721 7.497 -0.310 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -1.101 9.894 -0.091 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.457 8.648 -0.637 1.00 0.00 C ATOM 0 H PHE A 74 0.039 7.210 3.815 1.00 0.00 H new ATOM 0 HA PHE A 74 2.353 8.885 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.356 9.888 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.619 8.163 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.911 6.698 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.268 10.943 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.984 6.545 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.665 10.779 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.299 8.576 -1.310 1.00 0.00 H new ATOM 1148 N GLU A 75 0.918 10.998 4.194 1.00 0.00 N ATOM 1149 CA GLU A 75 0.138 12.162 4.611 1.00 0.00 C ATOM 1150 C GLU A 75 0.093 13.172 3.457 1.00 0.00 C ATOM 1151 O GLU A 75 1.127 13.564 2.909 1.00 0.00 O ATOM 1152 CB GLU A 75 0.782 12.742 5.879 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.114 13.661 6.725 1.00 0.00 C ATOM 1154 CD GLU A 75 -0.203 15.129 6.275 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.767 15.666 5.693 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -1.226 15.775 6.605 1.00 0.00 O ATOM 0 H GLU A 75 1.899 11.225 4.029 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.892 11.895 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.115 11.915 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.672 13.301 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.121 13.244 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.248 13.640 7.753 1.00 0.00 H new ATOM 1163 N SER A 76 -1.110 13.569 3.052 1.00 0.00 N ATOM 1164 CA SER A 76 -1.342 14.505 1.948 1.00 0.00 C ATOM 1165 C SER A 76 -1.534 15.942 2.459 1.00 0.00 C ATOM 1166 O SER A 76 -2.298 16.193 3.395 1.00 0.00 O ATOM 1167 CB SER A 76 -2.535 14.037 1.096 1.00 0.00 C ATOM 1168 OG SER A 76 -3.724 13.842 1.851 1.00 0.00 O ATOM 0 H SER A 76 -1.972 13.244 3.490 1.00 0.00 H new ATOM 0 HA SER A 76 -0.456 14.514 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.726 14.773 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.272 13.104 0.597 1.00 0.00 H new ATOM 0 HG SER A 76 -4.330 14.599 1.708 1.00 0.00 H new ATOM 1174 N GLY A 77 -0.838 16.900 1.836 1.00 0.00 N ATOM 1175 CA GLY A 77 -0.917 18.325 2.163 1.00 0.00 C ATOM 1176 C GLY A 77 -2.224 18.973 1.695 1.00 0.00 C ATOM 1177 O GLY A 77 -3.029 18.370 0.983 1.00 0.00 O ATOM 0 H GLY A 77 -0.190 16.700 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.821 18.451 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.075 18.845 1.705 1.00 0.00 H new ATOM 1181 N ARG A 78 -2.431 20.235 2.092 1.00 0.00 N ATOM 1182 CA ARG A 78 -3.705 20.947 1.901 1.00 0.00 C ATOM 1183 C ARG A 78 -4.084 21.143 0.419 1.00 0.00 C ATOM 1184 O ARG A 78 -5.270 21.199 0.088 1.00 0.00 O ATOM 1185 CB ARG A 78 -3.662 22.329 2.594 1.00 0.00 C ATOM 1186 CG ARG A 78 -2.997 22.418 3.984 1.00 0.00 C ATOM 1187 CD ARG A 78 -3.620 21.491 5.029 1.00 0.00 C ATOM 1188 NE ARG A 78 -2.965 21.650 6.341 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.540 21.618 7.541 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -4.839 21.467 7.701 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -2.794 21.735 8.618 1.00 0.00 N ATOM 0 H ARG A 78 -1.717 20.795 2.557 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.469 20.314 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.143 23.020 1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.687 22.687 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.938 22.179 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.060 23.446 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.684 21.707 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.533 20.456 4.699 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.956 21.802 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.445 21.369 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.238 21.448 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.784 21.849 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.225 21.712 9.542 1.00 0.00 H new ATOM 1205 N ARG A 79 -3.087 21.235 -0.475 1.00 0.00 N ATOM 1206 CA ARG A 79 -3.228 21.575 -1.904 1.00 0.00 C ATOM 1207 C ARG A 79 -3.213 20.325 -2.794 1.00 0.00 C ATOM 1208 O ARG A 79 -2.303 20.111 -3.598 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.151 22.606 -2.297 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.386 23.986 -1.655 1.00 0.00 C ATOM 1211 CD ARG A 79 -3.547 24.787 -2.269 1.00 0.00 C ATOM 1212 NE ARG A 79 -3.337 25.085 -3.702 1.00 0.00 N ATOM 1213 CZ ARG A 79 -2.575 26.046 -4.219 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -1.895 26.887 -3.468 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -2.486 26.172 -5.526 1.00 0.00 N ATOM 0 H ARG A 79 -2.116 21.067 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.204 22.032 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.171 22.233 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.135 22.713 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.579 23.849 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.471 24.573 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.474 24.225 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.668 25.722 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.830 24.489 -4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.941 26.815 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.322 27.610 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.999 25.535 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.904 26.906 -5.929 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.256 19.509 -2.665 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.536 18.350 -3.530 1.00 0.00 C ATOM 1231 C CYS A 80 -6.039 18.013 -3.574 1.00 0.00 C ATOM 1232 O CYS A 80 -6.825 18.570 -2.804 1.00 0.00 O ATOM 1233 CB CYS A 80 -3.652 17.159 -3.106 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.150 16.537 -1.477 1.00 0.00 S ATOM 0 H CYS A 80 -4.956 19.634 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.274 18.601 -4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.730 16.361 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.607 17.467 -3.079 1.00 0.00 H new ATOM 0 HG CYS A 80 -3.686 17.324 -0.552 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.442 17.109 -4.473 1.00 0.00 N ATOM 1241 CA GLN A 81 -7.851 16.782 -4.738 1.00 0.00 C ATOM 1242 C GLN A 81 -8.570 16.208 -3.503 1.00 0.00 C ATOM 1243 O GLN A 81 -9.733 16.543 -3.263 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.905 15.822 -5.943 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.315 15.551 -6.508 1.00 0.00 C ATOM 1246 CD GLN A 81 -10.107 14.456 -5.782 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -11.207 14.661 -5.284 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.607 13.237 -5.730 1.00 0.00 N ATOM 0 H GLN A 81 -5.790 16.574 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.392 17.698 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.285 16.231 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.460 14.871 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.888 16.477 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.222 15.275 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.693 13.043 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.135 12.488 -5.282 1.00 0.00 H new ATOM 1257 N THR A 82 -7.873 15.396 -2.698 1.00 0.00 N ATOM 1258 CA THR A 82 -8.397 14.799 -1.462 1.00 0.00 C ATOM 1259 C THR A 82 -8.343 15.742 -0.255 1.00 0.00 C ATOM 1260 O THR A 82 -8.999 15.465 0.752 1.00 0.00 O ATOM 1261 CB THR A 82 -7.658 13.496 -1.136 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.271 13.755 -1.040 1.00 0.00 O ATOM 1263 CG2 THR A 82 -7.863 12.427 -2.208 1.00 0.00 C ATOM 0 H THR A 82 -6.908 15.130 -2.892 1.00 0.00 H new ATOM 0 HA THR A 82 -9.450 14.592 -1.653 1.00 0.00 H new ATOM 0 HB THR A 82 -8.063 13.125 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.924 13.375 -0.206 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.319 11.524 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.925 12.199 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.491 12.795 -3.164 1.00 0.00 H new ATOM 1271 N GLY A 83 -7.572 16.836 -0.334 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.270 17.722 0.790 1.00 0.00 C ATOM 1273 C GLY A 83 -6.321 17.076 1.803 1.00 0.00 C ATOM 1274 O GLY A 83 -5.686 16.049 1.534 1.00 0.00 O ATOM 0 H GLY A 83 -7.132 17.133 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.824 18.643 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.198 17.999 1.291 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.242 17.682 2.988 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.460 17.142 4.103 1.00 0.00 C ATOM 1280 C GLN A 84 -6.005 15.780 4.569 1.00 0.00 C ATOM 1281 O GLN A 84 -7.221 15.610 4.722 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.406 18.159 5.251 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.306 17.838 6.285 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.689 16.793 7.341 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -5.785 16.787 7.890 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.805 15.880 7.682 1.00 0.00 N ATOM 0 H GLN A 84 -6.717 18.559 3.203 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.441 16.967 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.233 19.154 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.373 18.185 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.421 17.487 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.027 18.761 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.887 15.868 7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.038 15.185 8.391 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.105 14.822 4.814 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.454 13.488 5.316 1.00 0.00 C ATOM 1297 C GLY A 85 -4.281 12.507 5.391 1.00 0.00 C ATOM 1298 O GLY A 85 -3.154 12.827 5.015 1.00 0.00 O ATOM 0 H GLY A 85 -4.104 14.952 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.888 13.591 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.225 13.063 4.674 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.568 11.294 5.878 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.630 10.158 5.942 1.00 0.00 C ATOM 1304 C ILE A 86 -4.289 8.956 5.253 1.00 0.00 C ATOM 1305 O ILE A 86 -5.434 8.620 5.565 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.249 9.828 7.409 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.523 11.007 8.099 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.368 8.560 7.470 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.352 10.835 9.615 1.00 0.00 C ATOM 0 H ILE A 86 -5.489 11.065 6.252 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.703 10.413 5.429 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.179 9.647 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.540 11.131 7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.080 11.924 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.111 8.345 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.915 7.716 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.455 8.723 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.835 11.703 10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.332 10.743 10.084 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.768 9.937 9.816 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.552 8.303 4.350 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.002 7.140 3.586 1.00 0.00 C ATOM 1323 C PHE A 87 -2.990 5.993 3.711 1.00 0.00 C ATOM 1324 O PHE A 87 -1.780 6.218 3.639 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.179 7.535 2.111 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.225 8.600 1.849 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.591 8.253 1.846 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.841 9.926 1.575 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.564 9.219 1.537 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.819 10.901 1.306 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.179 10.542 1.274 1.00 0.00 C ATOM 0 H PHE A 87 -2.596 8.579 4.125 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.957 6.798 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.221 7.887 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.441 6.643 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.891 7.243 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.795 10.195 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.608 8.943 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.526 11.924 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.928 11.286 1.047 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.493 4.763 3.862 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.682 3.557 4.021 1.00 0.00 C ATOM 1343 C ALA A 88 -3.237 2.382 3.201 1.00 0.00 C ATOM 1344 O ALA A 88 -4.455 2.189 3.092 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.588 3.213 5.510 1.00 0.00 C ATOM 0 H ALA A 88 -4.496 4.577 3.877 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.681 3.750 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.985 2.314 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.124 4.041 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.588 3.038 5.907 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.315 1.599 2.639 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.597 0.526 1.688 1.00 0.00 C ATOM 1353 C PHE A 89 -1.734 -0.708 1.960 1.00 0.00 C ATOM 1354 O PHE A 89 -0.533 -0.599 2.209 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.370 1.029 0.253 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.141 2.281 -0.124 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.615 3.554 0.177 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.385 2.178 -0.771 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.345 4.711 -0.142 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.109 3.338 -1.092 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.596 4.606 -0.769 1.00 0.00 C ATOM 0 H PHE A 89 -1.320 1.698 2.841 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.640 0.232 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.306 1.223 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.640 0.233 -0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.650 3.640 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.784 1.206 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.942 5.684 0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.064 3.255 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.162 5.496 -1.002 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.337 -1.894 1.884 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.669 -3.174 2.108 1.00 0.00 C ATOM 1373 C LYS A 90 -1.058 -3.677 0.790 1.00 0.00 C ATOM 1374 O LYS A 90 -1.750 -3.756 -0.229 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.676 -4.151 2.748 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.005 -4.970 3.857 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.003 -5.917 4.536 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.378 -6.555 5.786 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.473 -5.688 6.992 1.00 0.00 N ATOM 0 H LYS A 90 -3.327 -1.993 1.660 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.836 -3.075 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.519 -3.595 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.076 -4.820 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.181 -5.547 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.577 -4.297 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.903 -5.368 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.307 -6.696 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.873 -7.505 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.330 -6.778 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.035 -6.171 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.977 -4.791 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.473 -5.495 7.203 1.00 0.00 H new ATOM 1393 N CYS A 91 0.247 -3.961 0.806 1.00 0.00 N ATOM 1394 CA CYS A 91 1.074 -4.245 -0.370 1.00 0.00 C ATOM 1395 C CYS A 91 2.460 -4.772 0.050 1.00 0.00 C ATOM 1396 O CYS A 91 3.170 -4.120 0.811 1.00 0.00 O ATOM 1397 CB CYS A 91 1.171 -2.954 -1.208 1.00 0.00 C ATOM 1398 SG CYS A 91 2.354 -3.133 -2.575 1.00 0.00 S ATOM 0 H CYS A 91 0.779 -4.001 1.676 1.00 0.00 H new ATOM 0 HA CYS A 91 0.621 -5.030 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.188 -2.704 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.476 -2.126 -0.568 1.00 0.00 H new ATOM 0 HG CYS A 91 1.711 -3.395 -3.674 1.00 0.00 H new ATOM 1404 N SER A 92 2.879 -5.924 -0.472 1.00 0.00 N ATOM 1405 CA SER A 92 4.202 -6.519 -0.196 1.00 0.00 C ATOM 1406 C SER A 92 5.362 -5.636 -0.699 1.00 0.00 C ATOM 1407 O SER A 92 6.362 -5.453 -0.001 1.00 0.00 O ATOM 1408 CB SER A 92 4.262 -7.920 -0.830 1.00 0.00 C ATOM 1409 OG SER A 92 5.450 -8.616 -0.479 1.00 0.00 O ATOM 0 H SER A 92 2.309 -6.483 -1.107 1.00 0.00 H new ATOM 0 HA SER A 92 4.324 -6.595 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.396 -8.499 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.203 -7.829 -1.915 1.00 0.00 H new ATOM 0 HG SER A 92 5.448 -9.501 -0.901 1.00 0.00 H new ATOM 1415 N ARG A 93 5.194 -4.988 -1.864 1.00 0.00 N ATOM 1416 CA ARG A 93 6.163 -4.051 -2.453 1.00 0.00 C ATOM 1417 C ARG A 93 6.098 -2.626 -1.866 1.00 0.00 C ATOM 1418 O ARG A 93 6.586 -1.683 -2.487 1.00 0.00 O ATOM 1419 CB ARG A 93 6.045 -4.078 -3.989 1.00 0.00 C ATOM 1420 CG ARG A 93 6.480 -5.446 -4.537 1.00 0.00 C ATOM 1421 CD ARG A 93 6.751 -5.435 -6.047 1.00 0.00 C ATOM 1422 NE ARG A 93 5.552 -5.228 -6.881 1.00 0.00 N ATOM 1423 CZ ARG A 93 4.591 -6.116 -7.104 1.00 0.00 C ATOM 1424 NH1 ARG A 93 4.532 -7.256 -6.451 1.00 0.00 N ATOM 1425 NH2 ARG A 93 3.679 -5.876 -8.020 1.00 0.00 N ATOM 0 H ARG A 93 4.358 -5.105 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 93 7.159 -4.396 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.016 -3.871 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.665 -3.292 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.381 -5.769 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.705 -6.180 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.473 -4.649 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.214 -6.381 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 93 5.452 -4.317 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.238 -7.479 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.780 -7.917 -6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.711 -5.009 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.939 -6.556 -8.194 1.00 0.00 H new ATOM 1439 N ALA A 94 5.556 -2.445 -0.654 1.00 0.00 N ATOM 1440 CA ALA A 94 5.576 -1.170 0.074 1.00 0.00 C ATOM 1441 C ALA A 94 6.989 -0.564 0.216 1.00 0.00 C ATOM 1442 O ALA A 94 7.139 0.655 0.139 1.00 0.00 O ATOM 1443 CB ALA A 94 4.933 -1.401 1.444 1.00 0.00 C ATOM 0 H ALA A 94 5.084 -3.192 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 94 5.012 -0.436 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.934 -0.468 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.907 -1.744 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.500 -2.156 1.989 1.00 0.00 H new ATOM 1449 N GLU A 95 8.018 -1.412 0.332 1.00 0.00 N ATOM 1450 CA GLU A 95 9.430 -1.008 0.292 1.00 0.00 C ATOM 1451 C GLU A 95 9.823 -0.370 -1.046 1.00 0.00 C ATOM 1452 O GLU A 95 10.516 0.645 -1.049 1.00 0.00 O ATOM 1453 CB GLU A 95 10.312 -2.230 0.605 1.00 0.00 C ATOM 1454 CG GLU A 95 11.816 -1.935 0.509 1.00 0.00 C ATOM 1455 CD GLU A 95 12.641 -3.060 1.154 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.865 -4.105 0.498 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.074 -2.904 2.321 1.00 0.00 O ATOM 0 H GLU A 95 7.891 -2.416 0.459 1.00 0.00 H new ATOM 0 HA GLU A 95 9.585 -0.239 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.082 -2.587 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.062 -3.036 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.102 -1.823 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.037 -0.989 1.003 1.00 0.00 H new ATOM 1464 N GLU A 96 9.365 -0.917 -2.178 1.00 0.00 N ATOM 1465 CA GLU A 96 9.655 -0.363 -3.503 1.00 0.00 C ATOM 1466 C GLU A 96 8.868 0.925 -3.755 1.00 0.00 C ATOM 1467 O GLU A 96 9.420 1.855 -4.333 1.00 0.00 O ATOM 1468 CB GLU A 96 9.318 -1.365 -4.619 1.00 0.00 C ATOM 1469 CG GLU A 96 10.162 -2.641 -4.617 1.00 0.00 C ATOM 1470 CD GLU A 96 11.596 -2.383 -5.103 1.00 0.00 C ATOM 1471 OE1 GLU A 96 11.815 -2.317 -6.335 1.00 0.00 O ATOM 1472 OE2 GLU A 96 12.512 -2.271 -4.256 1.00 0.00 O ATOM 0 H GLU A 96 8.784 -1.755 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 96 10.723 -0.147 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.267 -1.642 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.439 -0.868 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.190 -3.056 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.691 -3.388 -5.256 1.00 0.00 H new ATOM 1479 N ILE A 97 7.612 1.019 -3.292 1.00 0.00 N ATOM 1480 CA ILE A 97 6.839 2.274 -3.377 1.00 0.00 C ATOM 1481 C ILE A 97 7.573 3.397 -2.632 1.00 0.00 C ATOM 1482 O ILE A 97 7.810 4.455 -3.209 1.00 0.00 O ATOM 1483 CB ILE A 97 5.390 2.106 -2.850 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.606 1.030 -3.635 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.654 3.456 -2.958 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.269 0.630 -2.993 1.00 0.00 C ATOM 0 H ILE A 97 7.109 0.246 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 97 6.758 2.544 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 97 5.447 1.780 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.416 1.398 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.229 0.141 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.634 3.345 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.176 4.204 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.630 3.775 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.783 -0.129 -3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.450 0.229 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.624 1.506 -2.921 1.00 0.00 H new ATOM 1498 N PHE A 98 7.987 3.153 -1.384 1.00 0.00 N ATOM 1499 CA PHE A 98 8.749 4.103 -0.578 1.00 0.00 C ATOM 1500 C PHE A 98 10.103 4.459 -1.208 1.00 0.00 C ATOM 1501 O PHE A 98 10.444 5.643 -1.308 1.00 0.00 O ATOM 1502 CB PHE A 98 8.908 3.507 0.823 1.00 0.00 C ATOM 1503 CG PHE A 98 9.717 4.352 1.786 1.00 0.00 C ATOM 1504 CD1 PHE A 98 11.119 4.220 1.832 1.00 0.00 C ATOM 1505 CD2 PHE A 98 9.066 5.233 2.669 1.00 0.00 C ATOM 1506 CE1 PHE A 98 11.866 4.966 2.758 1.00 0.00 C ATOM 1507 CE2 PHE A 98 9.816 5.964 3.607 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.215 5.831 3.652 1.00 0.00 C ATOM 0 H PHE A 98 7.797 2.275 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 98 8.207 5.047 -0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.917 3.345 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.381 2.529 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 98 11.620 3.544 1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.993 5.347 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 98 12.942 4.874 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.316 6.630 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.788 6.394 4.374 1.00 0.00 H new ATOM 1518 N ASN A 99 10.865 3.456 -1.662 1.00 0.00 N ATOM 1519 CA ASN A 99 12.212 3.683 -2.188 1.00 0.00 C ATOM 1520 C ASN A 99 12.211 4.402 -3.546 1.00 0.00 C ATOM 1521 O ASN A 99 13.086 5.229 -3.800 1.00 0.00 O ATOM 1522 CB ASN A 99 13.058 2.400 -2.121 1.00 0.00 C ATOM 1523 CG ASN A 99 12.909 1.339 -3.209 1.00 0.00 C ATOM 1524 OD1 ASN A 99 12.646 1.603 -4.375 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.143 0.094 -2.832 1.00 0.00 N ATOM 0 H ASN A 99 10.569 2.480 -1.675 1.00 0.00 H new ATOM 0 HA ASN A 99 12.717 4.393 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.105 2.701 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.846 1.919 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.106 -0.662 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.361 -0.111 -1.857 1.00 0.00 H new ATOM 1532 N LEU A 100 11.168 4.185 -4.349 1.00 0.00 N ATOM 1533 CA LEU A 100 10.888 4.919 -5.584 1.00 0.00 C ATOM 1534 C LEU A 100 10.411 6.352 -5.297 1.00 0.00 C ATOM 1535 O LEU A 100 10.917 7.285 -5.917 1.00 0.00 O ATOM 1536 CB LEU A 100 9.866 4.104 -6.402 1.00 0.00 C ATOM 1537 CG LEU A 100 9.477 4.691 -7.768 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.689 4.876 -8.692 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.459 3.762 -8.445 1.00 0.00 C ATOM 0 H LEU A 100 10.470 3.468 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 100 11.801 5.033 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.271 3.104 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.960 3.991 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 100 9.045 5.676 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.360 5.293 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.402 5.555 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.166 3.911 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.179 4.174 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.902 2.776 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.572 3.676 -7.818 1.00 0.00 H new ATOM 1551 N LEU A 101 9.505 6.548 -4.330 1.00 0.00 N ATOM 1552 CA LEU A 101 8.981 7.866 -3.938 1.00 0.00 C ATOM 1553 C LEU A 101 10.093 8.841 -3.526 1.00 0.00 C ATOM 1554 O LEU A 101 10.123 9.977 -4.002 1.00 0.00 O ATOM 1555 CB LEU A 101 7.955 7.664 -2.803 1.00 0.00 C ATOM 1556 CG LEU A 101 7.162 8.918 -2.394 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.224 9.376 -3.518 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.326 8.605 -1.147 1.00 0.00 C ATOM 0 H LEU A 101 9.107 5.781 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 101 8.495 8.324 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.248 6.893 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.480 7.286 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 101 7.874 9.717 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.678 10.264 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.809 9.611 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.517 8.579 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.763 9.491 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.634 7.792 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.986 8.309 -0.331 1.00 0.00 H new ATOM 1570 N GLN A 102 11.029 8.395 -2.680 1.00 0.00 N ATOM 1571 CA GLN A 102 12.152 9.225 -2.236 1.00 0.00 C ATOM 1572 C GLN A 102 13.217 9.452 -3.321 1.00 0.00 C ATOM 1573 O GLN A 102 13.867 10.496 -3.329 1.00 0.00 O ATOM 1574 CB GLN A 102 12.743 8.678 -0.939 1.00 0.00 C ATOM 1575 CG GLN A 102 13.412 7.304 -1.023 1.00 0.00 C ATOM 1576 CD GLN A 102 14.887 7.337 -1.442 1.00 0.00 C ATOM 1577 OE1 GLN A 102 15.724 8.005 -0.844 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.274 6.591 -2.455 1.00 0.00 N ATOM 0 H GLN A 102 11.029 7.454 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 102 11.751 10.218 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.477 9.394 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.947 8.626 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.335 6.817 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.860 6.688 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.592 6.029 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.256 6.575 -2.731 1.00 0.00 H new ATOM 1587 N ASP A 103 13.367 8.518 -4.265 1.00 0.00 N ATOM 1588 CA ASP A 103 14.285 8.680 -5.401 1.00 0.00 C ATOM 1589 C ASP A 103 13.756 9.688 -6.431 1.00 0.00 C ATOM 1590 O ASP A 103 14.512 10.529 -6.916 1.00 0.00 O ATOM 1591 CB ASP A 103 14.600 7.335 -6.085 1.00 0.00 C ATOM 1592 CG ASP A 103 15.985 6.790 -5.701 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.972 7.561 -5.778 1.00 0.00 O ATOM 1594 OD2 ASP A 103 16.091 5.593 -5.348 1.00 0.00 O ATOM 0 H ASP A 103 12.860 7.633 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 103 15.212 9.075 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.838 6.605 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.549 7.460 -7.167 1.00 0.00 H new ATOM 1599 N LEU A 104 12.452 9.658 -6.727 1.00 0.00 N ATOM 1600 CA LEU A 104 11.818 10.598 -7.654 1.00 0.00 C ATOM 1601 C LEU A 104 11.790 12.031 -7.104 1.00 0.00 C ATOM 1602 O LEU A 104 11.800 12.981 -7.889 1.00 0.00 O ATOM 1603 CB LEU A 104 10.412 10.090 -8.012 1.00 0.00 C ATOM 1604 CG LEU A 104 10.427 8.790 -8.843 1.00 0.00 C ATOM 1605 CD1 LEU A 104 9.015 8.198 -8.876 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.930 9.017 -10.281 1.00 0.00 C ATOM 0 H LEU A 104 11.805 8.978 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 104 12.417 10.645 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.850 9.920 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.885 10.864 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 104 11.121 8.098 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.019 7.279 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.689 7.979 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.331 8.915 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.921 8.071 -10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.279 9.731 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.946 9.410 -10.253 1.00 0.00 H new ATOM 1618 N MET A 105 11.855 12.206 -5.776 1.00 0.00 N ATOM 1619 CA MET A 105 12.064 13.520 -5.147 1.00 0.00 C ATOM 1620 C MET A 105 13.471 14.094 -5.385 1.00 0.00 C ATOM 1621 O MET A 105 13.606 15.315 -5.481 1.00 0.00 O ATOM 1622 CB MET A 105 11.773 13.456 -3.640 1.00 0.00 C ATOM 1623 CG MET A 105 10.275 13.517 -3.334 1.00 0.00 C ATOM 1624 SD MET A 105 9.937 13.574 -1.556 1.00 0.00 S ATOM 1625 CE MET A 105 8.303 14.345 -1.591 1.00 0.00 C ATOM 0 H MET A 105 11.764 11.441 -5.107 1.00 0.00 H new ATOM 0 HA MET A 105 11.359 14.198 -5.629 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.188 12.535 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 105 12.278 14.282 -3.139 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.845 14.397 -3.812 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.782 12.647 -3.767 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.941 14.477 -0.571 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.369 15.316 -2.081 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.612 13.707 -2.142 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.605 5.465 2.651 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.742 5.728 4.083 1.00 0.00 C ATOM 2021 C PHE A 136 -9.584 6.606 4.582 1.00 0.00 C ATOM 2022 O PHE A 136 -8.413 6.261 4.400 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.811 4.380 4.814 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.209 4.457 6.276 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.240 4.685 7.272 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.555 4.269 6.647 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.615 4.719 8.628 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.929 4.304 8.003 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.958 4.527 8.994 1.00 0.00 C ATOM 0 HA PHE A 136 -11.658 6.283 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.523 3.739 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.836 3.897 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -9.207 4.834 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -13.303 4.097 5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.869 4.893 9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.962 4.159 8.282 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.244 4.551 10.035 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.915 7.735 5.223 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.944 8.657 5.831 1.00 0.00 C ATOM 2041 C ARG A 137 -8.674 8.239 7.282 1.00 0.00 C ATOM 2042 O ARG A 137 -9.607 8.149 8.085 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.449 10.114 5.786 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.324 10.805 4.416 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.350 10.378 3.353 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.735 10.728 3.725 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.322 11.914 3.592 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.687 12.966 3.114 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.582 12.058 3.943 1.00 0.00 N ATOM 0 H ARG A 137 -10.882 8.039 5.336 1.00 0.00 H new ATOM 0 HA ARG A 137 -8.019 8.606 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.496 10.129 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.895 10.697 6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.410 11.881 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.324 10.616 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.102 10.853 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.281 9.301 3.199 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.302 9.981 4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.710 12.887 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.172 13.859 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.102 11.263 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.039 12.965 3.844 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.408 8.002 7.631 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.991 7.661 8.998 1.00 0.00 C ATOM 2065 C LEU A 138 -6.849 8.920 9.871 1.00 0.00 C ATOM 2066 O LEU A 138 -6.387 9.963 9.403 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.670 6.867 8.968 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.711 5.504 8.248 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.311 4.881 8.275 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.690 4.531 8.917 1.00 0.00 C ATOM 0 H LEU A 138 -6.634 8.041 6.968 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.766 7.037 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.910 7.485 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.346 6.702 9.996 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.046 5.678 7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.332 3.917 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.609 5.543 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.995 4.740 9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.687 3.584 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.386 4.361 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.694 4.955 8.900 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.213 8.802 11.155 1.00 0.00 N ATOM 2083 CA ARG A 139 -7.041 9.858 12.168 1.00 0.00 C ATOM 2084 C ARG A 139 -5.592 9.993 12.667 1.00 0.00 C ATOM 2085 O ARG A 139 -5.167 11.071 13.085 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.953 9.570 13.369 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.439 9.802 13.043 1.00 0.00 C ATOM 2088 CD ARG A 139 -10.329 9.738 14.291 1.00 0.00 C ATOM 2089 NE ARG A 139 -10.344 8.394 14.901 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.790 8.088 16.116 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.291 8.998 16.927 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -10.737 6.843 16.536 1.00 0.00 N ATOM 0 H ARG A 139 -7.643 7.956 11.528 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.307 10.798 11.685 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.811 8.538 13.691 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.663 10.208 14.204 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.556 10.775 12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.772 9.053 12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.975 10.463 15.024 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.346 10.025 14.024 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.978 7.627 14.337 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.346 9.972 16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.624 8.728 17.853 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.355 6.116 15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.078 6.604 17.467 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.840 8.896 12.615 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.445 8.761 13.055 1.00 0.00 C ATOM 2108 C HIS A 140 -2.581 8.009 12.018 1.00 0.00 C ATOM 2109 O HIS A 140 -3.105 7.325 11.135 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.430 8.057 14.423 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.878 6.617 14.367 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -3.058 5.530 14.052 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -5.149 6.169 14.580 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.859 4.452 14.085 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -5.120 4.803 14.402 1.00 0.00 N ATOM 0 H HIS A 140 -5.207 8.021 12.242 1.00 0.00 H new ATOM 0 HA HIS A 140 -3.002 9.752 13.150 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.421 8.099 14.833 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -4.076 8.603 15.110 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -6.010 6.768 14.838 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.536 3.441 13.885 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.914 4.169 14.494 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.253 8.132 12.121 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.315 7.493 11.195 1.00 0.00 C ATOM 2125 C PHE A 141 0.028 6.056 11.672 1.00 0.00 C ATOM 2126 O PHE A 141 0.476 5.901 12.813 1.00 0.00 O ATOM 2127 CB PHE A 141 0.918 8.395 11.040 1.00 0.00 C ATOM 2128 CG PHE A 141 1.673 8.141 9.753 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.206 8.689 8.544 1.00 0.00 C ATOM 2130 CD2 PHE A 141 2.840 7.362 9.756 1.00 0.00 C ATOM 2131 CE1 PHE A 141 1.899 8.448 7.345 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.539 7.125 8.558 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.066 7.666 7.352 1.00 0.00 C ATOM 0 H PHE A 141 -0.798 8.680 12.852 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.766 7.378 10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.605 9.439 11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.587 8.236 11.886 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.313 9.296 8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.204 6.942 10.682 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.534 8.864 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.439 6.527 8.566 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.599 7.481 6.431 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.173 5.009 10.842 1.00 0.00 N ATOM 2144 CA PRO A 142 -0.107 3.604 11.260 1.00 0.00 C ATOM 2145 C PRO A 142 1.298 2.971 11.239 1.00 0.00 C ATOM 2146 O PRO A 142 1.423 1.787 11.553 1.00 0.00 O ATOM 2147 CB PRO A 142 -1.051 2.881 10.291 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.829 3.644 8.990 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.693 5.085 9.481 1.00 0.00 C ATOM 0 HA PRO A 142 -0.390 3.519 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.800 1.825 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -2.089 2.932 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.066 3.306 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.665 3.526 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.019 5.652 8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.656 5.595 9.461 1.00 0.00 H new ATOM 2157 N CYS A 143 2.353 3.718 10.876 1.00 0.00 N ATOM 2158 CA CYS A 143 3.715 3.197 10.695 1.00 0.00 C ATOM 2159 C CYS A 143 4.757 4.005 11.494 1.00 0.00 C ATOM 2160 O CYS A 143 4.670 5.231 11.578 1.00 0.00 O ATOM 2161 CB CYS A 143 4.012 3.199 9.183 1.00 0.00 C ATOM 2162 SG CYS A 143 5.612 2.412 8.859 1.00 0.00 S ATOM 0 H CYS A 143 2.280 4.720 10.697 1.00 0.00 H new ATOM 0 HA CYS A 143 3.782 2.182 11.087 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.223 2.669 8.649 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.019 4.222 8.808 1.00 0.00 H new ATOM 0 HG CYS A 143 6.403 3.262 8.275 1.00 0.00 H new ATOM 2168 N GLY A 144 5.766 3.327 12.058 1.00 0.00 N ATOM 2169 CA GLY A 144 6.878 3.969 12.782 1.00 0.00 C ATOM 2170 C GLY A 144 7.967 4.529 11.861 1.00 0.00 C ATOM 2171 O GLY A 144 8.642 5.497 12.215 1.00 0.00 O ATOM 0 H GLY A 144 5.836 2.310 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.482 4.778 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.326 3.243 13.461 1.00 0.00 H new ATOM 2175 N ASN A 145 8.128 3.974 10.655 1.00 0.00 N ATOM 2176 CA ASN A 145 9.225 4.288 9.723 1.00 0.00 C ATOM 2177 C ASN A 145 8.948 5.546 8.871 1.00 0.00 C ATOM 2178 O ASN A 145 9.021 5.531 7.642 1.00 0.00 O ATOM 2179 CB ASN A 145 9.519 3.064 8.851 1.00 0.00 C ATOM 2180 CG ASN A 145 9.894 1.812 9.643 1.00 0.00 C ATOM 2181 OD1 ASN A 145 10.616 1.859 10.632 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.409 0.658 9.228 1.00 0.00 N ATOM 0 H ASN A 145 7.483 3.275 10.287 1.00 0.00 H new ATOM 0 HA ASN A 145 10.110 4.527 10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 145 8.642 2.846 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.332 3.305 8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.634 -0.200 9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.808 0.624 8.404 1.00 0.00 H new ATOM 2189 N VAL A 146 8.597 6.633 9.548 1.00 0.00 N ATOM 2190 CA VAL A 146 8.282 7.947 8.961 1.00 0.00 C ATOM 2191 C VAL A 146 9.543 8.605 8.387 1.00 0.00 C ATOM 2192 O VAL A 146 10.588 8.664 9.035 1.00 0.00 O ATOM 2193 CB VAL A 146 7.605 8.871 10.001 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.489 10.338 9.543 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.186 8.372 10.299 1.00 0.00 C ATOM 0 H VAL A 146 8.518 6.631 10.565 1.00 0.00 H new ATOM 0 HA VAL A 146 7.579 7.789 8.143 1.00 0.00 H new ATOM 0 HB VAL A 146 8.245 8.838 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.005 10.925 10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.484 10.739 9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 146 6.896 10.388 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 146 5.716 9.028 11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.599 8.375 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.233 7.358 10.697 1.00 0.00 H new ATOM 2205 N ASN A 147 9.395 9.141 7.176 1.00 0.00 N ATOM 2206 CA ASN A 147 10.343 9.994 6.463 1.00 0.00 C ATOM 2207 C ASN A 147 9.608 11.237 5.913 1.00 0.00 C ATOM 2208 O ASN A 147 8.379 11.253 5.821 1.00 0.00 O ATOM 2209 CB ASN A 147 10.999 9.157 5.351 1.00 0.00 C ATOM 2210 CG ASN A 147 12.214 9.813 4.699 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.807 10.751 5.219 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.629 9.322 3.545 1.00 0.00 N ATOM 0 H ASN A 147 8.549 8.979 6.629 1.00 0.00 H new ATOM 0 HA ASN A 147 11.128 10.357 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.300 8.196 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.255 8.952 4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.445 9.724 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.133 8.541 3.115 1.00 0.00 H new ATOM 2219 N TYR A 148 10.350 12.288 5.562 1.00 0.00 N ATOM 2220 CA TYR A 148 9.820 13.609 5.197 1.00 0.00 C ATOM 2221 C TYR A 148 10.269 14.047 3.793 1.00 0.00 C ATOM 2222 O TYR A 148 11.367 13.700 3.346 1.00 0.00 O ATOM 2223 CB TYR A 148 10.250 14.631 6.261 1.00 0.00 C ATOM 2224 CG TYR A 148 9.727 14.330 7.655 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.450 14.787 8.039 1.00 0.00 C ATOM 2226 CD2 TYR A 148 10.501 13.578 8.562 1.00 0.00 C ATOM 2227 CE1 TYR A 148 7.941 14.480 9.314 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.001 13.276 9.844 1.00 0.00 C ATOM 2229 CZ TYR A 148 8.715 13.723 10.222 1.00 0.00 C ATOM 2230 OH TYR A 148 8.218 13.432 11.458 1.00 0.00 O ATOM 0 H TYR A 148 11.368 12.246 5.522 1.00 0.00 H new ATOM 0 HA TYR A 148 8.732 13.550 5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.339 14.670 6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.904 15.620 5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 148 7.860 15.375 7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 148 11.482 13.232 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 148 6.958 14.823 9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 148 10.600 12.704 10.537 1.00 0.00 H new ATOM 0 HH TYR A 148 8.874 12.904 11.959 1.00 0.00 H new