USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.0485 K(o=0.29,f=-1.9) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.244 K(o=0.29,f=-2.5!) USER MOD Set 2.1: A 80 CYS SG : rot -82:sc= 0.488 USER MOD Set 2.2: A 82 THR OG1 : rot 130:sc= 0.626 USER MOD Single : A 19 THR OG1 : rot -26:sc= 0.171 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0.737) USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0208) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.00939 X(o=0.0094,f=0.28) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.5 USER MOD Single : A 42 GLN : amide:sc= 0.00442 K(o=0.0044,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 160:sc= 0.293 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.146 USER MOD Single : A 67 TYR OH : rot -153:sc= 0.253 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.067) USER MOD Single : A 73 SER OG : rot 40:sc= 0.986 USER MOD Single : A 76 SER OG : rot 125:sc= 0.494 USER MOD Single : A 81 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 79:sc= 0.894 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00407 USER MOD Single : A 99 ASN : amide:sc= 0.901 K(o=0.9,f=-0.0031) USER MOD Single : A 105 MET CE :methyl -125:sc= 0 (180deg=-0.232) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot -100:sc= -0.08 USER MOD Single : A 145 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.045 -0.125 -11.808 1.00 0.00 N ATOM 234 CA THR A 19 6.481 1.236 -11.658 1.00 0.00 C ATOM 235 C THR A 19 5.034 1.259 -11.176 1.00 0.00 C ATOM 236 O THR A 19 4.609 2.257 -10.592 1.00 0.00 O ATOM 237 CB THR A 19 6.593 2.027 -12.967 1.00 0.00 C ATOM 238 OG1 THR A 19 6.033 1.276 -14.024 1.00 0.00 O ATOM 239 CG2 THR A 19 8.049 2.352 -13.312 1.00 0.00 C ATOM 0 HA THR A 19 7.083 1.708 -10.881 1.00 0.00 H new ATOM 0 HB THR A 19 6.053 2.964 -12.832 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.087 0.321 -13.811 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.085 2.913 -14.246 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.488 2.949 -12.513 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.612 1.425 -13.423 1.00 0.00 H new ATOM 247 N LYS A 20 4.300 0.160 -11.356 1.00 0.00 N ATOM 248 CA LYS A 20 2.965 -0.068 -10.798 1.00 0.00 C ATOM 249 C LYS A 20 3.008 -1.145 -9.702 1.00 0.00 C ATOM 250 O LYS A 20 3.807 -2.080 -9.777 1.00 0.00 O ATOM 251 CB LYS A 20 1.993 -0.484 -11.911 1.00 0.00 C ATOM 252 CG LYS A 20 1.788 0.566 -13.008 1.00 0.00 C ATOM 253 CD LYS A 20 0.854 -0.032 -14.070 1.00 0.00 C ATOM 254 CE LYS A 20 0.464 0.953 -15.170 1.00 0.00 C ATOM 255 NZ LYS A 20 1.616 1.544 -15.896 1.00 0.00 N ATOM 0 H LYS A 20 4.631 -0.626 -11.916 1.00 0.00 H new ATOM 0 HA LYS A 20 2.616 0.862 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.359 -1.402 -12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.027 -0.715 -11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.356 1.475 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.743 0.843 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.340 -0.896 -14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.051 -0.395 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.180 0.443 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.125 1.758 -14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.289 1.947 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.044 2.294 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.324 0.805 -16.084 1.00 0.00 H new ATOM 269 N PHE A 21 2.126 -1.044 -8.705 1.00 0.00 N ATOM 270 CA PHE A 21 2.102 -1.924 -7.534 1.00 0.00 C ATOM 271 C PHE A 21 0.665 -2.225 -7.096 1.00 0.00 C ATOM 272 O PHE A 21 -0.141 -1.312 -6.920 1.00 0.00 O ATOM 273 CB PHE A 21 2.892 -1.263 -6.392 1.00 0.00 C ATOM 274 CG PHE A 21 4.372 -1.070 -6.671 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.275 -2.119 -6.414 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.850 0.152 -7.189 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.649 -1.945 -6.653 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.226 0.322 -7.430 1.00 0.00 C ATOM 279 CZ PHE A 21 7.127 -0.722 -7.155 1.00 0.00 C ATOM 0 H PHE A 21 1.394 -0.334 -8.689 1.00 0.00 H new ATOM 0 HA PHE A 21 2.567 -2.875 -7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.447 -0.291 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.782 -1.870 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.911 -3.061 -6.032 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.161 0.956 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.338 -2.752 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.591 1.257 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.184 -0.585 -7.329 1.00 0.00 H new ATOM 289 N LYS A 22 0.345 -3.507 -6.886 1.00 0.00 N ATOM 290 CA LYS A 22 -0.929 -3.938 -6.295 1.00 0.00 C ATOM 291 C LYS A 22 -1.094 -3.347 -4.883 1.00 0.00 C ATOM 292 O LYS A 22 -0.186 -3.459 -4.057 1.00 0.00 O ATOM 293 CB LYS A 22 -0.973 -5.477 -6.220 1.00 0.00 C ATOM 294 CG LYS A 22 -0.930 -6.216 -7.567 1.00 0.00 C ATOM 295 CD LYS A 22 -2.171 -5.974 -8.439 1.00 0.00 C ATOM 296 CE LYS A 22 -2.186 -6.888 -9.677 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.495 -8.305 -9.336 1.00 0.00 N ATOM 0 H LYS A 22 0.966 -4.280 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.745 -3.580 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.133 -5.816 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.882 -5.770 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.043 -5.902 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.828 -7.285 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.070 -6.148 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.195 -4.932 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.925 -6.519 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.216 -6.840 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.560 -8.866 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.740 -8.689 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.401 -8.350 -8.827 1.00 0.00 H new ATOM 311 N VAL A 23 -2.248 -2.745 -4.603 1.00 0.00 N ATOM 312 CA VAL A 23 -2.562 -2.104 -3.311 1.00 0.00 C ATOM 313 C VAL A 23 -4.023 -2.332 -2.913 1.00 0.00 C ATOM 314 O VAL A 23 -4.869 -2.525 -3.783 1.00 0.00 O ATOM 315 CB VAL A 23 -2.255 -0.586 -3.308 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.747 -0.295 -3.333 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.966 0.194 -4.423 1.00 0.00 C ATOM 0 H VAL A 23 -3.012 -2.683 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.912 -2.579 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.662 -0.227 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.584 0.783 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.277 -0.735 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.308 -0.726 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.701 1.249 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.658 -0.196 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.045 0.083 -4.314 1.00 0.00 H new ATOM 327 N THR A 24 -4.323 -2.269 -1.610 1.00 0.00 N ATOM 328 CA THR A 24 -5.689 -2.382 -1.070 1.00 0.00 C ATOM 329 C THR A 24 -5.858 -1.400 0.078 1.00 0.00 C ATOM 330 O THR A 24 -5.166 -1.511 1.085 1.00 0.00 O ATOM 331 CB THR A 24 -5.972 -3.826 -0.634 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.903 -4.661 -1.770 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.370 -4.004 -0.043 1.00 0.00 C ATOM 0 H THR A 24 -3.615 -2.136 -0.888 1.00 0.00 H new ATOM 0 HA THR A 24 -6.415 -2.131 -1.843 1.00 0.00 H new ATOM 0 HB THR A 24 -5.233 -4.078 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.080 -5.588 -1.506 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.513 -5.045 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.479 -3.365 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.117 -3.729 -0.787 1.00 0.00 H new ATOM 341 N ASN A 25 -6.759 -0.429 -0.076 1.00 0.00 N ATOM 342 CA ASN A 25 -7.011 0.617 0.922 1.00 0.00 C ATOM 343 C ASN A 25 -7.603 0.021 2.214 1.00 0.00 C ATOM 344 O ASN A 25 -8.444 -0.881 2.136 1.00 0.00 O ATOM 345 CB ASN A 25 -7.936 1.684 0.306 1.00 0.00 C ATOM 346 CG ASN A 25 -8.140 2.912 1.195 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.257 3.280 1.540 1.00 0.00 O ATOM 348 ND2 ASN A 25 -7.079 3.591 1.592 1.00 0.00 N ATOM 0 H ASN A 25 -7.343 -0.344 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.069 1.089 1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.520 2.004 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.906 1.233 0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.192 4.416 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.146 3.291 1.309 1.00 0.00 H new ATOM 355 N VAL A 26 -7.183 0.519 3.384 1.00 0.00 N ATOM 356 CA VAL A 26 -7.642 0.010 4.693 1.00 0.00 C ATOM 357 C VAL A 26 -8.167 1.109 5.622 1.00 0.00 C ATOM 358 O VAL A 26 -7.764 2.268 5.526 1.00 0.00 O ATOM 359 CB VAL A 26 -6.578 -0.839 5.425 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.230 -2.111 4.640 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.281 -0.082 5.757 1.00 0.00 C ATOM 0 H VAL A 26 -6.515 1.287 3.455 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.479 -0.643 4.445 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.048 -1.101 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.479 -2.682 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.127 -2.718 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.837 -1.838 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.590 -0.751 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.823 0.276 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.510 0.766 6.402 1.00 0.00 H new ATOM 371 N ASP A 27 -9.069 0.714 6.527 1.00 0.00 N ATOM 372 CA ASP A 27 -9.607 1.560 7.600 1.00 0.00 C ATOM 373 C ASP A 27 -8.720 1.578 8.866 1.00 0.00 C ATOM 374 O ASP A 27 -7.617 1.026 8.890 1.00 0.00 O ATOM 375 CB ASP A 27 -11.063 1.147 7.905 1.00 0.00 C ATOM 376 CG ASP A 27 -11.240 -0.188 8.655 1.00 0.00 C ATOM 377 OD1 ASP A 27 -10.253 -0.938 8.839 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.390 -0.475 9.064 1.00 0.00 O ATOM 0 H ASP A 27 -9.456 -0.230 6.534 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.603 2.591 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.529 1.937 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.609 1.088 6.963 1.00 0.00 H new ATOM 383 N ASP A 28 -9.209 2.206 9.939 1.00 0.00 N ATOM 384 CA ASP A 28 -8.514 2.336 11.229 1.00 0.00 C ATOM 385 C ASP A 28 -8.364 1.018 12.017 1.00 0.00 C ATOM 386 O ASP A 28 -7.559 0.936 12.945 1.00 0.00 O ATOM 387 CB ASP A 28 -9.226 3.399 12.075 1.00 0.00 C ATOM 388 CG ASP A 28 -10.608 2.955 12.589 1.00 0.00 C ATOM 389 OD1 ASP A 28 -11.531 2.781 11.761 1.00 0.00 O ATOM 390 OD2 ASP A 28 -10.768 2.812 13.825 1.00 0.00 O ATOM 0 H ASP A 28 -10.126 2.652 9.937 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.492 2.640 11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.596 3.655 12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.343 4.306 11.481 1.00 0.00 H new ATOM 395 N GLU A 29 -9.104 -0.015 11.611 1.00 0.00 N ATOM 396 CA GLU A 29 -8.999 -1.396 12.103 1.00 0.00 C ATOM 397 C GLU A 29 -8.142 -2.287 11.174 1.00 0.00 C ATOM 398 O GLU A 29 -7.929 -3.466 11.469 1.00 0.00 O ATOM 399 CB GLU A 29 -10.412 -1.983 12.281 1.00 0.00 C ATOM 400 CG GLU A 29 -11.191 -1.382 13.460 1.00 0.00 C ATOM 401 CD GLU A 29 -10.658 -1.877 14.815 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.004 -3.010 15.225 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.906 -1.136 15.492 1.00 0.00 O ATOM 0 H GLU A 29 -9.826 0.089 10.898 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.489 -1.375 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.979 -1.823 11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.332 -3.061 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.127 -0.295 13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.245 -1.642 13.368 1.00 0.00 H new ATOM 410 N GLY A 30 -7.635 -1.744 10.056 1.00 0.00 N ATOM 411 CA GLY A 30 -6.800 -2.452 9.077 1.00 0.00 C ATOM 412 C GLY A 30 -7.584 -3.369 8.133 1.00 0.00 C ATOM 413 O GLY A 30 -6.978 -4.233 7.498 1.00 0.00 O ATOM 0 H GLY A 30 -7.801 -0.770 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.254 -1.719 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.058 -3.046 9.610 1.00 0.00 H new ATOM 417 N VAL A 31 -8.905 -3.210 8.035 1.00 0.00 N ATOM 418 CA VAL A 31 -9.797 -4.060 7.226 1.00 0.00 C ATOM 419 C VAL A 31 -9.697 -3.656 5.753 1.00 0.00 C ATOM 420 O VAL A 31 -9.824 -2.479 5.427 1.00 0.00 O ATOM 421 CB VAL A 31 -11.268 -3.970 7.701 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.184 -4.910 6.896 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.395 -4.333 9.191 1.00 0.00 C ATOM 0 H VAL A 31 -9.403 -2.468 8.527 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.475 -5.094 7.349 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.579 -2.937 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.208 -4.819 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.147 -4.639 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.847 -5.939 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.439 -4.261 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.041 -5.352 9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.795 -3.644 9.786 1.00 0.00 H new ATOM 433 N GLU A 32 -9.482 -4.640 4.875 1.00 0.00 N ATOM 434 CA GLU A 32 -9.403 -4.468 3.419 1.00 0.00 C ATOM 435 C GLU A 32 -10.742 -3.970 2.845 1.00 0.00 C ATOM 436 O GLU A 32 -11.755 -4.674 2.901 1.00 0.00 O ATOM 437 CB GLU A 32 -9.002 -5.803 2.769 1.00 0.00 C ATOM 438 CG GLU A 32 -7.548 -6.189 3.066 1.00 0.00 C ATOM 439 CD GLU A 32 -7.220 -7.574 2.491 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.475 -8.592 3.179 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.699 -7.657 1.355 1.00 0.00 O ATOM 0 H GLU A 32 -9.354 -5.609 5.166 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.648 -3.714 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.664 -6.591 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.143 -5.735 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.876 -5.445 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.380 -6.189 4.143 1.00 0.00 H new ATOM 448 N LEU A 33 -10.744 -2.752 2.289 1.00 0.00 N ATOM 449 CA LEU A 33 -11.947 -2.079 1.781 1.00 0.00 C ATOM 450 C LEU A 33 -12.146 -2.317 0.280 1.00 0.00 C ATOM 451 O LEU A 33 -13.213 -2.768 -0.144 1.00 0.00 O ATOM 452 CB LEU A 33 -11.861 -0.568 2.080 1.00 0.00 C ATOM 453 CG LEU A 33 -11.660 -0.196 3.561 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.586 1.328 3.674 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.775 -0.753 4.457 1.00 0.00 C ATOM 0 H LEU A 33 -9.896 -2.197 2.177 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.811 -2.504 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.038 -0.147 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.775 -0.092 1.725 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.731 -0.646 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.444 1.609 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.749 1.697 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.513 1.766 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.589 -0.464 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.736 -0.351 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.793 -1.840 4.382 1.00 0.00 H new ATOM 467 N GLY A 34 -11.117 -2.008 -0.514 1.00 0.00 N ATOM 468 CA GLY A 34 -11.106 -2.178 -1.970 1.00 0.00 C ATOM 469 C GLY A 34 -9.700 -2.202 -2.563 1.00 0.00 C ATOM 470 O GLY A 34 -8.827 -1.439 -2.150 1.00 0.00 O ATOM 0 H GLY A 34 -10.245 -1.622 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.616 -3.107 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.673 -1.367 -2.428 1.00 0.00 H new ATOM 474 N SER A 35 -9.483 -3.076 -3.540 1.00 0.00 N ATOM 475 CA SER A 35 -8.207 -3.252 -4.245 1.00 0.00 C ATOM 476 C SER A 35 -8.053 -2.297 -5.448 1.00 0.00 C ATOM 477 O SER A 35 -9.031 -1.895 -6.087 1.00 0.00 O ATOM 478 CB SER A 35 -8.049 -4.723 -4.666 1.00 0.00 C ATOM 479 OG SER A 35 -9.158 -5.202 -5.422 1.00 0.00 O ATOM 0 H SER A 35 -10.211 -3.705 -3.878 1.00 0.00 H new ATOM 0 HA SER A 35 -7.405 -2.990 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.139 -4.832 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.928 -5.340 -3.776 1.00 0.00 H new ATOM 0 HG SER A 35 -9.007 -6.139 -5.666 1.00 0.00 H new ATOM 485 N GLY A 36 -6.802 -1.941 -5.760 1.00 0.00 N ATOM 486 CA GLY A 36 -6.389 -1.013 -6.817 1.00 0.00 C ATOM 487 C GLY A 36 -4.905 -1.152 -7.166 1.00 0.00 C ATOM 488 O GLY A 36 -4.218 -2.056 -6.678 1.00 0.00 O ATOM 0 H GLY A 36 -6.003 -2.316 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.988 -1.193 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.591 0.010 -6.499 1.00 0.00 H new ATOM 492 N VAL A 37 -4.410 -0.252 -8.015 1.00 0.00 N ATOM 493 CA VAL A 37 -3.021 -0.236 -8.497 1.00 0.00 C ATOM 494 C VAL A 37 -2.420 1.158 -8.298 1.00 0.00 C ATOM 495 O VAL A 37 -2.894 2.143 -8.863 1.00 0.00 O ATOM 496 CB VAL A 37 -2.929 -0.685 -9.975 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.478 -0.655 -10.479 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.475 -2.112 -10.162 1.00 0.00 C ATOM 0 H VAL A 37 -4.974 0.506 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.442 -0.952 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.532 0.017 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.448 -0.976 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.086 0.359 -10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.869 -1.327 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.396 -2.397 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.896 -2.806 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.520 -2.145 -9.855 1.00 0.00 H new ATOM 508 N MET A 38 -1.361 1.231 -7.494 1.00 0.00 N ATOM 509 CA MET A 38 -0.590 2.447 -7.228 1.00 0.00 C ATOM 510 C MET A 38 0.479 2.634 -8.307 1.00 0.00 C ATOM 511 O MET A 38 1.097 1.659 -8.733 1.00 0.00 O ATOM 512 CB MET A 38 0.045 2.331 -5.832 1.00 0.00 C ATOM 513 CG MET A 38 0.515 3.681 -5.283 1.00 0.00 C ATOM 514 SD MET A 38 -0.832 4.827 -4.881 1.00 0.00 S ATOM 515 CE MET A 38 -1.303 4.199 -3.249 1.00 0.00 C ATOM 0 H MET A 38 -1.003 0.418 -6.992 1.00 0.00 H new ATOM 0 HA MET A 38 -1.242 3.320 -7.251 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.679 1.895 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.893 1.647 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.111 3.509 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.171 4.151 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.125 4.795 -2.853 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.618 3.159 -3.336 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.450 4.264 -2.574 1.00 0.00 H new ATOM 525 N GLU A 39 0.717 3.872 -8.734 1.00 0.00 N ATOM 526 CA GLU A 39 1.711 4.229 -9.749 1.00 0.00 C ATOM 527 C GLU A 39 2.399 5.555 -9.405 1.00 0.00 C ATOM 528 O GLU A 39 1.762 6.539 -9.024 1.00 0.00 O ATOM 529 CB GLU A 39 1.057 4.281 -11.138 1.00 0.00 C ATOM 530 CG GLU A 39 2.084 4.614 -12.232 1.00 0.00 C ATOM 531 CD GLU A 39 1.532 4.411 -13.645 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.391 4.843 -13.929 1.00 0.00 O ATOM 533 OE2 GLU A 39 2.249 3.817 -14.482 1.00 0.00 O ATOM 0 H GLU A 39 0.209 4.680 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 39 2.482 3.459 -9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.589 3.321 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.265 5.030 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.407 5.649 -12.118 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.966 3.988 -12.098 1.00 0.00 H new ATOM 540 N LEU A 40 3.725 5.578 -9.540 1.00 0.00 N ATOM 541 CA LEU A 40 4.577 6.723 -9.221 1.00 0.00 C ATOM 542 C LEU A 40 5.308 7.165 -10.497 1.00 0.00 C ATOM 543 O LEU A 40 5.987 6.348 -11.129 1.00 0.00 O ATOM 544 CB LEU A 40 5.566 6.307 -8.118 1.00 0.00 C ATOM 545 CG LEU A 40 5.035 6.348 -6.671 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.943 5.324 -6.328 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.211 6.110 -5.722 1.00 0.00 C ATOM 0 H LEU A 40 4.252 4.776 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 40 3.988 7.564 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.906 5.293 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.440 6.956 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 40 4.571 7.328 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.646 5.444 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.079 5.484 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.328 4.316 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.858 6.135 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.655 5.137 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.960 6.889 -5.868 1.00 0.00 H new ATOM 559 N THR A 41 5.162 8.440 -10.885 1.00 0.00 N ATOM 560 CA THR A 41 5.718 8.998 -12.134 1.00 0.00 C ATOM 561 C THR A 41 6.768 10.066 -11.854 1.00 0.00 C ATOM 562 O THR A 41 6.905 10.555 -10.736 1.00 0.00 O ATOM 563 CB THR A 41 4.611 9.553 -13.048 1.00 0.00 C ATOM 564 OG1 THR A 41 4.137 10.784 -12.542 1.00 0.00 O ATOM 565 CG2 THR A 41 3.428 8.594 -13.215 1.00 0.00 C ATOM 0 H THR A 41 4.647 9.126 -10.334 1.00 0.00 H new ATOM 0 HA THR A 41 6.207 8.176 -12.658 1.00 0.00 H new ATOM 0 HB THR A 41 5.064 9.687 -14.030 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.434 11.131 -13.130 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.683 9.045 -13.871 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.777 7.658 -13.652 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.981 8.395 -12.241 1.00 0.00 H new ATOM 573 N GLN A 42 7.474 10.499 -12.898 1.00 0.00 N ATOM 574 CA GLN A 42 8.383 11.648 -12.847 1.00 0.00 C ATOM 575 C GLN A 42 7.646 12.984 -12.584 1.00 0.00 C ATOM 576 O GLN A 42 8.294 14.022 -12.445 1.00 0.00 O ATOM 577 CB GLN A 42 9.221 11.711 -14.141 1.00 0.00 C ATOM 578 CG GLN A 42 10.241 10.563 -14.298 1.00 0.00 C ATOM 579 CD GLN A 42 9.641 9.183 -14.602 1.00 0.00 C ATOM 580 OE1 GLN A 42 8.537 9.038 -15.116 1.00 0.00 O ATOM 581 NE2 GLN A 42 10.334 8.111 -14.277 1.00 0.00 N ATOM 0 H GLN A 42 7.431 10.057 -13.816 1.00 0.00 H new ATOM 0 HA GLN A 42 9.051 11.503 -11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.546 11.701 -14.997 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.755 12.661 -14.168 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.934 10.823 -15.098 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.826 10.492 -13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.254 8.209 -13.848 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.950 7.183 -14.454 1.00 0.00 H new ATOM 590 N SER A 43 6.312 12.978 -12.474 1.00 0.00 N ATOM 591 CA SER A 43 5.501 14.140 -12.089 1.00 0.00 C ATOM 592 C SER A 43 4.915 14.030 -10.669 1.00 0.00 C ATOM 593 O SER A 43 5.019 14.999 -9.914 1.00 0.00 O ATOM 594 CB SER A 43 4.355 14.352 -13.096 1.00 0.00 C ATOM 595 OG SER A 43 4.815 14.510 -14.435 1.00 0.00 O ATOM 0 H SER A 43 5.753 12.144 -12.655 1.00 0.00 H new ATOM 0 HA SER A 43 6.176 14.996 -12.096 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.675 13.501 -13.049 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.783 15.234 -12.807 1.00 0.00 H new ATOM 0 HG SER A 43 4.048 14.639 -15.031 1.00 0.00 H new ATOM 601 N GLU A 44 4.294 12.898 -10.290 1.00 0.00 N ATOM 602 CA GLU A 44 3.518 12.771 -9.046 1.00 0.00 C ATOM 603 C GLU A 44 3.085 11.325 -8.721 1.00 0.00 C ATOM 604 O GLU A 44 3.288 10.389 -9.498 1.00 0.00 O ATOM 605 CB GLU A 44 2.300 13.722 -9.062 1.00 0.00 C ATOM 606 CG GLU A 44 1.222 13.384 -10.095 1.00 0.00 C ATOM 607 CD GLU A 44 0.126 14.458 -10.130 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.337 14.915 -9.061 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.299 14.826 -11.251 1.00 0.00 O ATOM 0 H GLU A 44 4.318 12.041 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 44 4.193 13.064 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.845 13.720 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.654 14.736 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.677 13.293 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.779 12.417 -9.858 1.00 0.00 H new ATOM 616 N LEU A 45 2.448 11.153 -7.556 1.00 0.00 N ATOM 617 CA LEU A 45 1.817 9.908 -7.120 1.00 0.00 C ATOM 618 C LEU A 45 0.423 9.795 -7.766 1.00 0.00 C ATOM 619 O LEU A 45 -0.352 10.751 -7.705 1.00 0.00 O ATOM 620 CB LEU A 45 1.735 9.923 -5.573 1.00 0.00 C ATOM 621 CG LEU A 45 2.119 8.594 -4.899 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.002 8.709 -3.375 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.250 7.425 -5.367 1.00 0.00 C ATOM 0 H LEU A 45 2.357 11.903 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 45 2.398 9.039 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.389 10.709 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.719 10.184 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 45 3.151 8.393 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.278 7.759 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.670 9.492 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.975 8.957 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.564 6.513 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.206 7.630 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.360 7.298 -6.444 1.00 0.00 H new ATOM 635 N VAL A 46 0.095 8.648 -8.364 1.00 0.00 N ATOM 636 CA VAL A 46 -1.183 8.370 -9.048 1.00 0.00 C ATOM 637 C VAL A 46 -1.759 7.038 -8.546 1.00 0.00 C ATOM 638 O VAL A 46 -1.037 6.053 -8.412 1.00 0.00 O ATOM 639 CB VAL A 46 -0.992 8.325 -10.586 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.329 8.091 -11.317 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.360 9.622 -11.130 1.00 0.00 C ATOM 0 H VAL A 46 0.733 7.852 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.881 9.175 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.318 7.490 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.156 8.065 -12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.758 7.142 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.020 8.900 -11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.245 9.545 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.005 10.468 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.617 9.771 -10.671 1.00 0.00 H new ATOM 651 N LEU A 47 -3.067 6.995 -8.281 1.00 0.00 N ATOM 652 CA LEU A 47 -3.783 5.815 -7.790 1.00 0.00 C ATOM 653 C LEU A 47 -4.924 5.464 -8.752 1.00 0.00 C ATOM 654 O LEU A 47 -5.886 6.224 -8.898 1.00 0.00 O ATOM 655 CB LEU A 47 -4.300 6.104 -6.365 1.00 0.00 C ATOM 656 CG LEU A 47 -4.590 4.891 -5.449 1.00 0.00 C ATOM 657 CD1 LEU A 47 -5.677 5.268 -4.435 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.996 3.594 -6.158 1.00 0.00 C ATOM 0 H LEU A 47 -3.675 7.804 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.117 4.953 -7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.567 6.736 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.217 6.686 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.636 4.668 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.883 4.415 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.335 6.108 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.587 5.550 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.174 2.815 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.907 3.763 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.197 3.281 -6.829 1.00 0.00 H new ATOM 670 N HIS A 48 -4.814 4.292 -9.378 1.00 0.00 N ATOM 671 CA HIS A 48 -5.814 3.685 -10.259 1.00 0.00 C ATOM 672 C HIS A 48 -6.696 2.686 -9.481 1.00 0.00 C ATOM 673 O HIS A 48 -6.174 1.774 -8.829 1.00 0.00 O ATOM 674 CB HIS A 48 -5.077 2.962 -11.398 1.00 0.00 C ATOM 675 CG HIS A 48 -4.135 3.834 -12.185 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.509 4.874 -13.038 1.00 0.00 N ATOM 677 CD2 HIS A 48 -2.775 3.709 -12.202 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.360 5.349 -13.549 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.304 4.668 -13.068 1.00 0.00 N ATOM 0 H HIS A 48 -3.982 3.710 -9.280 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.466 4.461 -10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.515 2.128 -10.978 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.815 2.538 -12.080 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.185 2.997 -11.645 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.293 6.167 -14.251 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.326 4.834 -13.304 1.00 0.00 H new ATOM 687 N LEU A 49 -8.022 2.835 -9.558 1.00 0.00 N ATOM 688 CA LEU A 49 -8.985 1.995 -8.825 1.00 0.00 C ATOM 689 C LEU A 49 -9.756 1.050 -9.760 1.00 0.00 C ATOM 690 O LEU A 49 -9.778 -0.158 -9.528 1.00 0.00 O ATOM 691 CB LEU A 49 -9.929 2.906 -8.012 1.00 0.00 C ATOM 692 CG LEU A 49 -9.238 3.733 -6.904 1.00 0.00 C ATOM 693 CD1 LEU A 49 -10.248 4.707 -6.282 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.643 2.844 -5.800 1.00 0.00 C ATOM 0 H LEU A 49 -8.466 3.549 -10.136 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.440 1.348 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.430 3.590 -8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.703 2.289 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.418 4.280 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.759 5.289 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.627 5.379 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.077 4.146 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.168 3.470 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.437 2.257 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.901 2.173 -6.233 1.00 0.00 H new ATOM 786 N ALA A 54 -8.798 8.415 -11.653 1.00 0.00 N ATOM 787 CA ALA A 54 -7.608 8.184 -10.832 1.00 0.00 C ATOM 788 C ALA A 54 -7.420 9.316 -9.801 1.00 0.00 C ATOM 789 O ALA A 54 -7.725 10.476 -10.091 1.00 0.00 O ATOM 790 CB ALA A 54 -6.400 8.054 -11.768 1.00 0.00 C ATOM 0 HA ALA A 54 -7.718 7.264 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.500 7.881 -11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.555 7.216 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.286 8.972 -12.344 1.00 0.00 H new ATOM 796 N VAL A 55 -6.889 8.992 -8.617 1.00 0.00 N ATOM 797 CA VAL A 55 -6.618 9.977 -7.545 1.00 0.00 C ATOM 798 C VAL A 55 -5.128 10.319 -7.539 1.00 0.00 C ATOM 799 O VAL A 55 -4.294 9.418 -7.490 1.00 0.00 O ATOM 800 CB VAL A 55 -7.077 9.496 -6.149 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.856 10.602 -5.102 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.570 9.122 -6.147 1.00 0.00 C ATOM 0 H VAL A 55 -6.631 8.037 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.205 10.870 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.484 8.615 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.184 10.248 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.797 10.856 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.430 11.486 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.860 8.788 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.164 9.993 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.745 8.320 -6.864 1.00 0.00 H new ATOM 812 N ARG A 56 -4.800 11.614 -7.613 1.00 0.00 N ATOM 813 CA ARG A 56 -3.436 12.113 -7.824 1.00 0.00 C ATOM 814 C ARG A 56 -2.984 13.031 -6.679 1.00 0.00 C ATOM 815 O ARG A 56 -3.761 13.877 -6.224 1.00 0.00 O ATOM 816 CB ARG A 56 -3.364 12.868 -9.163 1.00 0.00 C ATOM 817 CG ARG A 56 -3.824 12.032 -10.371 1.00 0.00 C ATOM 818 CD ARG A 56 -3.800 12.839 -11.674 1.00 0.00 C ATOM 819 NE ARG A 56 -2.428 13.142 -12.123 1.00 0.00 N ATOM 820 CZ ARG A 56 -1.758 12.604 -13.132 1.00 0.00 C ATOM 821 NH1 ARG A 56 -2.244 11.641 -13.887 1.00 0.00 N ATOM 822 NH2 ARG A 56 -0.555 13.063 -13.381 1.00 0.00 N ATOM 0 H ARG A 56 -5.490 12.360 -7.526 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.763 11.256 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.980 13.765 -9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.338 13.197 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.179 11.159 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.834 11.663 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.319 12.281 -12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.347 13.771 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.932 13.856 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.179 11.274 -13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.686 11.262 -14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.165 13.810 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.009 12.673 -14.150 1.00 0.00 H new ATOM 836 N TRP A 57 -1.728 12.895 -6.243 1.00 0.00 N ATOM 837 CA TRP A 57 -1.111 13.719 -5.194 1.00 0.00 C ATOM 838 C TRP A 57 0.306 14.180 -5.600 1.00 0.00 C ATOM 839 O TRP A 57 1.194 13.326 -5.724 1.00 0.00 O ATOM 840 CB TRP A 57 -1.045 12.930 -3.877 1.00 0.00 C ATOM 841 CG TRP A 57 -2.352 12.508 -3.280 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.186 13.296 -2.564 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.971 11.184 -3.295 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.259 12.550 -2.113 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.152 11.230 -2.494 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.636 9.941 -3.878 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.928 10.091 -2.239 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.427 8.798 -3.651 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.558 8.869 -2.821 1.00 0.00 C ATOM 0 H TRP A 57 -1.094 12.190 -6.619 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.729 14.606 -5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.443 12.037 -4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.516 13.537 -3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.036 14.348 -2.373 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.033 12.929 -1.567 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.761 9.866 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.799 10.153 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.162 7.861 -4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.144 7.982 -2.631 1.00 0.00 H new ATOM 860 N PRO A 58 0.554 15.499 -5.768 1.00 0.00 N ATOM 861 CA PRO A 58 1.887 16.028 -6.042 1.00 0.00 C ATOM 862 C PRO A 58 2.809 15.830 -4.842 1.00 0.00 C ATOM 863 O PRO A 58 2.407 16.009 -3.693 1.00 0.00 O ATOM 864 CB PRO A 58 1.710 17.507 -6.381 1.00 0.00 C ATOM 865 CG PRO A 58 0.372 17.887 -5.759 1.00 0.00 C ATOM 866 CD PRO A 58 -0.421 16.583 -5.731 1.00 0.00 C ATOM 0 HA PRO A 58 2.356 15.502 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.522 18.107 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.706 17.669 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.502 18.294 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.138 18.649 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.034 16.522 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.098 16.524 -6.583 1.00 0.00 H new ATOM 874 N TYR A 59 4.070 15.489 -5.118 1.00 0.00 N ATOM 875 CA TYR A 59 5.061 15.158 -4.086 1.00 0.00 C ATOM 876 C TYR A 59 5.394 16.342 -3.163 1.00 0.00 C ATOM 877 O TYR A 59 5.689 16.152 -1.983 1.00 0.00 O ATOM 878 CB TYR A 59 6.335 14.636 -4.763 1.00 0.00 C ATOM 879 CG TYR A 59 6.197 13.378 -5.610 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.366 12.318 -5.198 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.945 13.251 -6.799 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.277 11.144 -5.965 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.862 12.076 -7.571 1.00 0.00 C ATOM 884 CZ TYR A 59 6.031 11.015 -7.150 1.00 0.00 C ATOM 885 OH TYR A 59 5.935 9.878 -7.889 1.00 0.00 O ATOM 0 H TYR A 59 4.436 15.434 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 59 4.624 14.389 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.733 15.429 -5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.077 14.444 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.794 12.408 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.585 14.060 -7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.631 10.340 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.433 11.987 -8.483 1.00 0.00 H new ATOM 0 HH TYR A 59 6.235 10.057 -8.805 1.00 0.00 H new ATOM 895 N LEU A 60 5.263 17.567 -3.680 1.00 0.00 N ATOM 896 CA LEU A 60 5.409 18.814 -2.926 1.00 0.00 C ATOM 897 C LEU A 60 4.253 19.083 -1.943 1.00 0.00 C ATOM 898 O LEU A 60 4.432 19.873 -1.015 1.00 0.00 O ATOM 899 CB LEU A 60 5.687 20.000 -3.869 1.00 0.00 C ATOM 900 CG LEU A 60 4.681 20.159 -5.025 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.408 21.644 -5.294 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.204 19.497 -6.309 1.00 0.00 C ATOM 0 H LEU A 60 5.046 17.722 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 60 6.284 18.693 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.692 20.919 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.686 19.885 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 60 3.755 19.666 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.696 21.740 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.995 22.106 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.339 22.142 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.474 19.625 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.146 19.962 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.364 18.434 -6.131 1.00 0.00 H new ATOM 914 N CYS A 61 3.106 18.399 -2.087 1.00 0.00 N ATOM 915 CA CYS A 61 1.990 18.437 -1.122 1.00 0.00 C ATOM 916 C CYS A 61 1.936 17.223 -0.167 1.00 0.00 C ATOM 917 O CYS A 61 0.980 17.103 0.605 1.00 0.00 O ATOM 918 CB CYS A 61 0.669 18.636 -1.882 1.00 0.00 C ATOM 919 SG CYS A 61 0.671 20.261 -2.700 1.00 0.00 S ATOM 0 H CYS A 61 2.923 17.795 -2.888 1.00 0.00 H new ATOM 0 HA CYS A 61 2.162 19.286 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.541 17.846 -2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.172 18.566 -1.193 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.447 20.424 -3.343 1.00 0.00 H new ATOM 925 N LEU A 62 2.940 16.336 -0.181 1.00 0.00 N ATOM 926 CA LEU A 62 3.096 15.281 0.830 1.00 0.00 C ATOM 927 C LEU A 62 3.808 15.866 2.059 1.00 0.00 C ATOM 928 O LEU A 62 4.956 16.309 1.964 1.00 0.00 O ATOM 929 CB LEU A 62 3.871 14.079 0.250 1.00 0.00 C ATOM 930 CG LEU A 62 3.181 13.344 -0.918 1.00 0.00 C ATOM 931 CD1 LEU A 62 4.086 12.195 -1.386 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.804 12.784 -0.530 1.00 0.00 C ATOM 0 H LEU A 62 3.668 16.330 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 62 2.114 14.916 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.847 14.428 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.049 13.363 1.052 1.00 0.00 H new ATOM 0 HG LEU A 62 3.022 14.067 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.608 11.668 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.043 12.598 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.251 11.502 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.363 12.277 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.917 12.076 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.154 13.601 -0.218 1.00 0.00 H new ATOM 944 N ARG A 63 3.135 15.860 3.215 1.00 0.00 N ATOM 945 CA ARG A 63 3.683 16.367 4.483 1.00 0.00 C ATOM 946 C ARG A 63 4.688 15.383 5.107 1.00 0.00 C ATOM 947 O ARG A 63 5.672 15.806 5.716 1.00 0.00 O ATOM 948 CB ARG A 63 2.521 16.700 5.435 1.00 0.00 C ATOM 949 CG ARG A 63 3.000 17.446 6.691 1.00 0.00 C ATOM 950 CD ARG A 63 1.822 17.985 7.510 1.00 0.00 C ATOM 951 NE ARG A 63 2.295 18.722 8.696 1.00 0.00 N ATOM 952 CZ ARG A 63 1.552 19.442 9.528 1.00 0.00 C ATOM 953 NH1 ARG A 63 0.248 19.556 9.379 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.121 20.067 10.537 1.00 0.00 N ATOM 0 H ARG A 63 2.185 15.500 3.300 1.00 0.00 H new ATOM 0 HA ARG A 63 4.247 17.279 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.786 17.310 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.019 15.779 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.596 16.774 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.649 18.272 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.213 18.642 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.183 17.159 7.822 1.00 0.00 H new ATOM 0 HE ARG A 63 3.294 18.674 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.220 19.083 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.293 20.117 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.129 19.997 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.554 20.621 11.179 1.00 0.00 H new ATOM 968 N ARG A 64 4.457 14.080 4.903 1.00 0.00 N ATOM 969 CA ARG A 64 5.300 12.942 5.301 1.00 0.00 C ATOM 970 C ARG A 64 4.767 11.646 4.679 1.00 0.00 C ATOM 971 O ARG A 64 3.619 11.578 4.228 1.00 0.00 O ATOM 972 CB ARG A 64 5.434 12.819 6.836 1.00 0.00 C ATOM 973 CG ARG A 64 4.077 12.730 7.548 1.00 0.00 C ATOM 974 CD ARG A 64 4.218 12.584 9.065 1.00 0.00 C ATOM 975 NE ARG A 64 2.903 12.760 9.698 1.00 0.00 N ATOM 976 CZ ARG A 64 2.447 12.218 10.817 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.199 11.467 11.598 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.198 12.439 11.159 1.00 0.00 N ATOM 0 H ARG A 64 3.614 13.769 4.420 1.00 0.00 H new ATOM 0 HA ARG A 64 6.305 13.124 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.023 11.933 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.983 13.679 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.494 13.624 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.519 11.880 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.623 11.602 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.920 13.324 9.449 1.00 0.00 H new ATOM 0 HE ARG A 64 2.257 13.381 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.171 11.285 11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.809 11.068 12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.602 13.017 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.824 12.032 12.016 1.00 0.00 H new ATOM 992 N TYR A 65 5.602 10.613 4.664 1.00 0.00 N ATOM 993 CA TYR A 65 5.345 9.320 4.022 1.00 0.00 C ATOM 994 C TYR A 65 6.189 8.224 4.676 1.00 0.00 C ATOM 995 O TYR A 65 7.256 8.499 5.226 1.00 0.00 O ATOM 996 CB TYR A 65 5.606 9.417 2.509 1.00 0.00 C ATOM 997 CG TYR A 65 7.018 9.839 2.138 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.030 8.873 1.973 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.320 11.204 1.971 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.341 9.265 1.645 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.633 11.603 1.662 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.650 10.638 1.502 1.00 0.00 C ATOM 1003 OH TYR A 65 10.921 11.041 1.222 1.00 0.00 O ATOM 0 H TYR A 65 6.515 10.651 5.116 1.00 0.00 H new ATOM 0 HA TYR A 65 4.297 9.053 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.399 8.448 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.902 10.129 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.798 7.826 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.543 11.946 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.109 8.520 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.864 12.652 1.547 1.00 0.00 H new ATOM 0 HH TYR A 65 10.948 12.019 1.158 1.00 0.00 H new ATOM 1013 N GLY A 66 5.699 6.987 4.656 1.00 0.00 N ATOM 1014 CA GLY A 66 6.309 5.876 5.376 1.00 0.00 C ATOM 1015 C GLY A 66 5.772 4.515 4.977 1.00 0.00 C ATOM 1016 O GLY A 66 4.792 4.378 4.244 1.00 0.00 O ATOM 0 H GLY A 66 4.861 6.727 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.386 5.894 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.151 6.019 6.445 1.00 0.00 H new ATOM 1020 N TYR A 67 6.426 3.484 5.496 1.00 0.00 N ATOM 1021 CA TYR A 67 6.119 2.100 5.155 1.00 0.00 C ATOM 1022 C TYR A 67 6.349 1.147 6.331 1.00 0.00 C ATOM 1023 O TYR A 67 7.126 1.415 7.250 1.00 0.00 O ATOM 1024 CB TYR A 67 6.905 1.692 3.898 1.00 0.00 C ATOM 1025 CG TYR A 67 8.326 1.223 4.150 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.323 2.146 4.517 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.647 -0.142 4.037 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.637 1.713 4.773 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.955 -0.586 4.309 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.959 0.342 4.667 1.00 0.00 C ATOM 1031 OH TYR A 67 12.235 -0.077 4.894 1.00 0.00 O ATOM 0 H TYR A 67 7.187 3.584 6.168 1.00 0.00 H new ATOM 0 HA TYR A 67 5.055 2.025 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.361 0.895 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.935 2.542 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.078 3.194 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.888 -0.851 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.398 2.428 5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.192 -1.638 4.244 1.00 0.00 H new ATOM 0 HH TYR A 67 12.401 -0.904 4.395 1.00 0.00 H new ATOM 1041 N ASP A 68 5.654 0.023 6.274 1.00 0.00 N ATOM 1042 CA ASP A 68 5.820 -1.129 7.159 1.00 0.00 C ATOM 1043 C ASP A 68 5.944 -2.439 6.351 1.00 0.00 C ATOM 1044 O ASP A 68 5.956 -2.427 5.120 1.00 0.00 O ATOM 1045 CB ASP A 68 4.679 -1.147 8.192 1.00 0.00 C ATOM 1046 CG ASP A 68 5.183 -1.626 9.561 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.475 -2.837 9.692 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.307 -0.780 10.478 1.00 0.00 O ATOM 0 H ASP A 68 4.923 -0.123 5.578 1.00 0.00 H new ATOM 0 HA ASP A 68 6.756 -1.042 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.254 -0.148 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.880 -1.802 7.845 1.00 0.00 H new ATOM 1053 N SER A 69 6.054 -3.583 7.029 1.00 0.00 N ATOM 1054 CA SER A 69 6.398 -4.878 6.407 1.00 0.00 C ATOM 1055 C SER A 69 5.358 -5.387 5.379 1.00 0.00 C ATOM 1056 O SER A 69 5.696 -6.149 4.467 1.00 0.00 O ATOM 1057 CB SER A 69 6.624 -5.913 7.523 1.00 0.00 C ATOM 1058 OG SER A 69 7.326 -7.067 7.073 1.00 0.00 O ATOM 0 H SER A 69 5.907 -3.645 8.036 1.00 0.00 H new ATOM 0 HA SER A 69 7.309 -4.728 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.182 -5.448 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.660 -6.216 7.931 1.00 0.00 H new ATOM 0 HG SER A 69 7.444 -7.690 7.820 1.00 0.00 H new ATOM 1064 N ASN A 70 4.105 -4.916 5.474 1.00 0.00 N ATOM 1065 CA ASN A 70 2.994 -5.248 4.568 1.00 0.00 C ATOM 1066 C ASN A 70 2.072 -4.036 4.283 1.00 0.00 C ATOM 1067 O ASN A 70 0.931 -4.213 3.845 1.00 0.00 O ATOM 1068 CB ASN A 70 2.188 -6.433 5.146 1.00 0.00 C ATOM 1069 CG ASN A 70 2.989 -7.708 5.334 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.597 -7.947 6.372 1.00 0.00 O ATOM 1071 ND2 ASN A 70 2.960 -8.597 4.364 1.00 0.00 N ATOM 0 H ASN A 70 3.827 -4.269 6.212 1.00 0.00 H new ATOM 0 HA ASN A 70 3.425 -5.535 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.770 -6.137 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.348 -6.641 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.444 -9.488 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.453 -8.395 3.502 1.00 0.00 H new ATOM 1078 N LEU A 71 2.527 -2.801 4.548 1.00 0.00 N ATOM 1079 CA LEU A 71 1.695 -1.588 4.551 1.00 0.00 C ATOM 1080 C LEU A 71 2.473 -0.372 4.029 1.00 0.00 C ATOM 1081 O LEU A 71 3.636 -0.182 4.372 1.00 0.00 O ATOM 1082 CB LEU A 71 1.202 -1.364 6.001 1.00 0.00 C ATOM 1083 CG LEU A 71 0.081 -0.316 6.172 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.274 -0.849 5.684 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.061 0.064 7.653 1.00 0.00 C ATOM 0 H LEU A 71 3.505 -2.614 4.771 1.00 0.00 H new ATOM 0 HA LEU A 71 0.845 -1.715 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.848 -2.316 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.053 -1.062 6.612 1.00 0.00 H new ATOM 0 HG LEU A 71 0.359 0.552 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.037 -0.083 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.204 -1.107 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.544 -1.736 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.854 0.804 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.309 -0.824 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.879 0.483 8.013 1.00 0.00 H new ATOM 1097 N PHE A 72 1.826 0.469 3.226 1.00 0.00 N ATOM 1098 CA PHE A 72 2.352 1.736 2.718 1.00 0.00 C ATOM 1099 C PHE A 72 1.398 2.871 3.108 1.00 0.00 C ATOM 1100 O PHE A 72 0.186 2.749 2.930 1.00 0.00 O ATOM 1101 CB PHE A 72 2.511 1.629 1.192 1.00 0.00 C ATOM 1102 CG PHE A 72 2.869 2.938 0.514 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.105 3.561 0.778 1.00 0.00 C ATOM 1104 CD2 PHE A 72 1.949 3.552 -0.360 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.411 4.799 0.186 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.263 4.783 -0.961 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.487 5.410 -0.681 1.00 0.00 C ATOM 0 H PHE A 72 0.880 0.279 2.897 1.00 0.00 H new ATOM 0 HA PHE A 72 3.328 1.953 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.283 0.893 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.581 1.254 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.818 3.087 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.002 3.076 -0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.355 5.280 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.562 5.247 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.720 6.363 -1.132 1.00 0.00 H new ATOM 1117 N SER A 73 1.928 3.973 3.641 1.00 0.00 N ATOM 1118 CA SER A 73 1.096 5.119 4.062 1.00 0.00 C ATOM 1119 C SER A 73 1.746 6.500 3.861 1.00 0.00 C ATOM 1120 O SER A 73 2.970 6.651 3.864 1.00 0.00 O ATOM 1121 CB SER A 73 0.649 4.914 5.521 1.00 0.00 C ATOM 1122 OG SER A 73 -0.279 5.893 5.964 1.00 0.00 O ATOM 0 H SER A 73 2.928 4.103 3.794 1.00 0.00 H new ATOM 0 HA SER A 73 0.231 5.134 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.200 3.926 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.525 4.934 6.169 1.00 0.00 H new ATOM 0 HG SER A 73 -0.913 6.092 5.244 1.00 0.00 H new ATOM 1128 N PHE A 74 0.909 7.530 3.683 1.00 0.00 N ATOM 1129 CA PHE A 74 1.327 8.923 3.466 1.00 0.00 C ATOM 1130 C PHE A 74 0.273 9.948 3.921 1.00 0.00 C ATOM 1131 O PHE A 74 -0.909 9.628 4.066 1.00 0.00 O ATOM 1132 CB PHE A 74 1.740 9.129 1.997 1.00 0.00 C ATOM 1133 CG PHE A 74 0.647 8.816 0.992 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.275 9.808 0.603 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.536 7.514 0.467 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.306 9.493 -0.299 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.492 7.201 -0.435 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.415 8.190 -0.813 1.00 0.00 C ATOM 0 H PHE A 74 -0.105 7.416 3.686 1.00 0.00 H new ATOM 0 HA PHE A 74 2.195 9.106 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.056 10.163 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.605 8.501 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.190 10.810 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.245 6.754 0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.014 10.252 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.573 6.202 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.211 7.948 -1.501 1.00 0.00 H new ATOM 1148 N GLU A 75 0.721 11.186 4.152 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.070 12.296 4.695 1.00 0.00 C ATOM 1150 C GLU A 75 -0.055 13.493 3.733 1.00 0.00 C ATOM 1151 O GLU A 75 1.006 13.920 3.274 1.00 0.00 O ATOM 1152 CB GLU A 75 0.499 12.691 6.067 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.335 13.765 6.780 1.00 0.00 C ATOM 1154 CD GLU A 75 0.221 14.031 8.181 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.312 14.629 8.294 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -0.394 13.611 9.185 1.00 0.00 O ATOM 0 H GLU A 75 1.686 11.454 3.958 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.107 11.980 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.555 11.805 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.518 13.057 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.327 14.686 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.373 13.441 6.850 1.00 0.00 H new ATOM 1163 N SER A 76 -1.226 14.054 3.438 1.00 0.00 N ATOM 1164 CA SER A 76 -1.411 15.146 2.473 1.00 0.00 C ATOM 1165 C SER A 76 -1.684 16.513 3.129 1.00 0.00 C ATOM 1166 O SER A 76 -2.331 16.619 4.179 1.00 0.00 O ATOM 1167 CB SER A 76 -2.575 14.809 1.526 1.00 0.00 C ATOM 1168 OG SER A 76 -3.790 14.626 2.241 1.00 0.00 O ATOM 0 H SER A 76 -2.099 13.756 3.873 1.00 0.00 H new ATOM 0 HA SER A 76 -0.470 15.234 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.697 15.611 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.340 13.903 0.967 1.00 0.00 H new ATOM 0 HG SER A 76 -4.474 15.230 1.883 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.217 17.584 2.474 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.586 18.967 2.792 1.00 0.00 C ATOM 1176 C GLY A 77 -2.987 19.294 2.262 1.00 0.00 C ATOM 1177 O GLY A 77 -3.472 18.662 1.321 1.00 0.00 O ATOM 0 H GLY A 77 -0.562 17.511 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.557 19.117 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.859 19.651 2.356 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.644 20.304 2.846 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.060 20.625 2.570 1.00 0.00 C ATOM 1183 C ARG A 78 -5.374 21.033 1.115 1.00 0.00 C ATOM 1184 O ARG A 78 -6.523 20.923 0.685 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.571 21.664 3.585 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.948 23.060 3.416 1.00 0.00 C ATOM 1187 CD ARG A 78 -5.493 24.055 4.449 1.00 0.00 C ATOM 1188 NE ARG A 78 -5.030 23.761 5.821 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.891 24.156 6.383 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -2.986 24.853 5.725 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -3.642 23.848 7.637 1.00 0.00 N ATOM 0 H ARG A 78 -3.211 20.928 3.527 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.607 19.691 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.654 21.747 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.365 21.305 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.865 22.989 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.152 23.430 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.185 25.064 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.583 24.037 4.426 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.650 23.194 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.148 25.107 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.124 25.138 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.321 23.309 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.770 24.149 8.072 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.367 21.471 0.347 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.492 22.004 -1.021 1.00 0.00 C ATOM 1207 C ARG A 79 -4.386 20.923 -2.120 1.00 0.00 C ATOM 1208 O ARG A 79 -3.562 21.016 -3.031 1.00 0.00 O ATOM 1209 CB ARG A 79 -3.530 23.199 -1.205 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.043 22.897 -0.922 1.00 0.00 C ATOM 1211 CD ARG A 79 -1.145 24.100 -1.241 1.00 0.00 C ATOM 1212 NE ARG A 79 -1.388 25.233 -0.324 1.00 0.00 N ATOM 1213 CZ ARG A 79 -1.059 26.504 -0.530 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -0.446 26.900 -1.627 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -1.345 27.409 0.381 1.00 0.00 N ATOM 0 H ARG A 79 -3.401 21.464 0.674 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.507 22.380 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.621 23.564 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.851 24.007 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.921 22.621 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.727 22.040 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.099 23.799 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.321 24.421 -2.268 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.856 25.018 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.209 26.222 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.209 27.884 -1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.818 27.134 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.094 28.385 0.226 1.00 0.00 H new ATOM 1229 N CYS A 80 -5.241 19.896 -2.050 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.349 18.810 -3.041 1.00 0.00 C ATOM 1231 C CYS A 80 -6.774 18.218 -3.108 1.00 0.00 C ATOM 1232 O CYS A 80 -7.630 18.561 -2.290 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.254 17.756 -2.772 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.576 16.855 -1.228 1.00 0.00 S ATOM 0 H CYS A 80 -5.900 19.791 -1.278 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.176 19.218 -4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.210 17.053 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.281 18.244 -2.715 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.145 17.554 -0.220 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.035 17.345 -4.089 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.379 16.848 -4.438 1.00 0.00 C ATOM 1242 C GLN A 81 -9.098 16.158 -3.267 1.00 0.00 C ATOM 1243 O GLN A 81 -10.298 16.368 -3.074 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.249 15.903 -5.652 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.579 15.536 -6.342 1.00 0.00 C ATOM 1246 CD GLN A 81 -10.324 14.348 -5.719 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -11.459 14.448 -5.268 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.738 13.167 -5.707 1.00 0.00 N ATOM 0 H GLN A 81 -6.301 16.953 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.004 17.705 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.593 16.369 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.761 14.984 -5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.234 16.407 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.378 15.311 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.794 13.063 -6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.229 12.358 -5.327 1.00 0.00 H new ATOM 1257 N THR A 82 -8.364 15.376 -2.463 1.00 0.00 N ATOM 1258 CA THR A 82 -8.892 14.622 -1.314 1.00 0.00 C ATOM 1259 C THR A 82 -8.948 15.435 -0.018 1.00 0.00 C ATOM 1260 O THR A 82 -9.468 14.944 0.985 1.00 0.00 O ATOM 1261 CB THR A 82 -8.066 13.349 -1.103 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.704 13.691 -0.934 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.174 12.396 -2.293 1.00 0.00 C ATOM 0 H THR A 82 -7.361 15.246 -2.596 1.00 0.00 H new ATOM 0 HA THR A 82 -9.923 14.368 -1.558 1.00 0.00 H new ATOM 0 HB THR A 82 -8.459 12.850 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.352 13.248 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.574 11.506 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.215 12.107 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.810 12.894 -3.192 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.408 16.659 -0.019 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.201 17.479 1.177 1.00 0.00 C ATOM 1273 C GLY A 83 -7.071 16.943 2.060 1.00 0.00 C ATOM 1274 O GLY A 83 -6.275 16.097 1.648 1.00 0.00 O ATOM 0 H GLY A 83 -8.095 17.117 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.972 18.502 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.125 17.515 1.755 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.012 17.445 3.294 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.085 16.967 4.321 1.00 0.00 C ATOM 1280 C GLN A 84 -6.513 15.571 4.806 1.00 0.00 C ATOM 1281 O GLN A 84 -7.672 15.362 5.182 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.068 17.978 5.482 1.00 0.00 C ATOM 1283 CG GLN A 84 -5.056 17.621 6.584 1.00 0.00 C ATOM 1284 CD GLN A 84 -5.131 18.600 7.759 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -6.058 18.587 8.558 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -4.169 19.488 7.915 1.00 0.00 N ATOM 0 H GLN A 84 -7.614 18.204 3.613 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.079 16.882 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.834 18.968 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.065 18.036 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.248 16.609 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.048 17.627 6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.388 19.514 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.206 20.149 8.691 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.572 14.624 4.829 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.790 13.275 5.352 1.00 0.00 C ATOM 1297 C GLY A 85 -4.524 12.427 5.436 1.00 0.00 C ATOM 1298 O GLY A 85 -3.446 12.823 4.988 1.00 0.00 O ATOM 0 H GLY A 85 -4.626 14.775 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.231 13.349 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.515 12.764 4.719 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.681 11.232 6.003 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.683 10.152 6.016 1.00 0.00 C ATOM 1304 C ILE A 86 -4.321 8.948 5.322 1.00 0.00 C ATOM 1305 O ILE A 86 -5.415 8.527 5.705 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.257 9.803 7.461 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.593 11.000 8.175 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.312 8.582 7.465 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.376 10.770 9.677 1.00 0.00 C ATOM 0 H ILE A 86 -5.541 10.974 6.487 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.777 10.460 5.495 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.162 9.555 8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.632 11.207 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.213 11.886 8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.022 8.350 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.824 7.724 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.422 8.809 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.906 11.650 10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.337 10.593 10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.731 9.903 9.823 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.639 8.398 4.319 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.116 7.281 3.503 1.00 0.00 C ATOM 1323 C PHE A 87 -3.177 6.088 3.672 1.00 0.00 C ATOM 1324 O PHE A 87 -1.956 6.257 3.726 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.212 7.728 2.038 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.098 8.941 1.834 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.498 8.794 1.829 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.527 10.222 1.707 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.325 9.924 1.704 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.354 11.352 1.592 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.751 11.205 1.602 1.00 0.00 C ATOM 0 H PHE A 87 -2.713 8.726 4.043 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.110 6.971 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.211 7.952 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.596 6.902 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.937 7.812 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.453 10.336 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.399 9.809 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.915 12.334 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.385 12.076 1.531 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.737 4.880 3.771 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.980 3.662 4.048 1.00 0.00 C ATOM 1343 C ALA A 88 -3.501 2.466 3.247 1.00 0.00 C ATOM 1344 O ALA A 88 -4.713 2.241 3.120 1.00 0.00 O ATOM 1345 CB ALA A 88 -3.000 3.388 5.555 1.00 0.00 C ATOM 0 H ALA A 88 -4.738 4.721 3.660 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.949 3.811 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.436 2.480 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.548 4.227 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.030 3.262 5.888 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.545 1.709 2.712 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.780 0.631 1.759 1.00 0.00 C ATOM 1353 C PHE A 89 -1.915 -0.592 2.079 1.00 0.00 C ATOM 1354 O PHE A 89 -0.696 -0.478 2.215 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.489 1.127 0.332 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.194 2.405 -0.083 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.633 3.659 0.234 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.406 2.345 -0.793 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.300 4.842 -0.128 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.069 3.530 -1.158 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.519 4.779 -0.822 1.00 0.00 C ATOM 0 H PHE A 89 -1.558 1.834 2.937 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.825 0.330 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.414 1.280 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.765 0.339 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.689 3.711 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.828 1.387 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.874 5.801 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.003 3.480 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.033 5.688 -1.097 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.522 -1.777 2.158 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.794 -3.041 2.287 1.00 0.00 C ATOM 1373 C LYS A 90 -1.113 -3.384 0.957 1.00 0.00 C ATOM 1374 O LYS A 90 -1.715 -3.239 -0.112 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.742 -4.157 2.756 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.965 -4.090 4.274 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.965 -5.163 4.729 1.00 0.00 C ATOM 1378 CE LYS A 90 -4.210 -5.141 6.247 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.051 -5.652 7.028 1.00 0.00 N ATOM 0 H LYS A 90 -3.536 -1.888 2.134 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.016 -2.941 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.698 -4.067 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.326 -5.128 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.016 -4.229 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.336 -3.102 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.912 -5.014 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.594 -6.146 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.431 -4.120 6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.090 -5.742 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.273 -5.614 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.854 -6.636 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.215 -5.064 6.834 1.00 0.00 H new ATOM 1393 N CYS A 91 0.147 -3.814 1.030 1.00 0.00 N ATOM 1394 CA CYS A 91 1.014 -4.071 -0.120 1.00 0.00 C ATOM 1395 C CYS A 91 2.213 -4.945 0.285 1.00 0.00 C ATOM 1396 O CYS A 91 2.909 -4.636 1.253 1.00 0.00 O ATOM 1397 CB CYS A 91 1.482 -2.720 -0.691 1.00 0.00 C ATOM 1398 SG CYS A 91 2.436 -2.996 -2.210 1.00 0.00 S ATOM 0 H CYS A 91 0.607 -3.999 1.921 1.00 0.00 H new ATOM 0 HA CYS A 91 0.461 -4.617 -0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.621 -2.085 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.093 -2.196 0.044 1.00 0.00 H new ATOM 0 HG CYS A 91 1.623 -3.226 -3.198 1.00 0.00 H new ATOM 1404 N SER A 92 2.498 -6.006 -0.466 1.00 0.00 N ATOM 1405 CA SER A 92 3.660 -6.886 -0.242 1.00 0.00 C ATOM 1406 C SER A 92 5.003 -6.270 -0.686 1.00 0.00 C ATOM 1407 O SER A 92 6.064 -6.763 -0.296 1.00 0.00 O ATOM 1408 CB SER A 92 3.420 -8.220 -0.963 1.00 0.00 C ATOM 1409 OG SER A 92 3.124 -8.011 -2.341 1.00 0.00 O ATOM 0 H SER A 92 1.925 -6.289 -1.261 1.00 0.00 H new ATOM 0 HA SER A 92 3.747 -7.036 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.303 -8.852 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.596 -8.751 -0.487 1.00 0.00 H new ATOM 0 HG SER A 92 2.977 -8.875 -2.779 1.00 0.00 H new ATOM 1415 N ARG A 93 4.963 -5.174 -1.461 1.00 0.00 N ATOM 1416 CA ARG A 93 6.127 -4.443 -1.988 1.00 0.00 C ATOM 1417 C ARG A 93 6.177 -2.984 -1.499 1.00 0.00 C ATOM 1418 O ARG A 93 6.757 -2.123 -2.160 1.00 0.00 O ATOM 1419 CB ARG A 93 6.164 -4.542 -3.525 1.00 0.00 C ATOM 1420 CG ARG A 93 6.161 -5.997 -4.024 1.00 0.00 C ATOM 1421 CD ARG A 93 6.564 -6.111 -5.502 1.00 0.00 C ATOM 1422 NE ARG A 93 8.021 -5.959 -5.694 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.945 -6.899 -5.520 1.00 0.00 C ATOM 1424 NH1 ARG A 93 8.640 -8.132 -5.170 1.00 0.00 N ATOM 1425 NH2 ARG A 93 10.212 -6.604 -5.695 1.00 0.00 N ATOM 0 H ARG A 93 4.079 -4.755 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 93 7.026 -4.917 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.303 -4.018 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.055 -4.036 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.847 -6.588 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.167 -6.423 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.247 -7.079 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.041 -5.349 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 93 8.351 -5.040 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.665 -8.394 -5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.379 -8.825 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.483 -5.658 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.925 -7.321 -5.563 1.00 0.00 H new ATOM 1439 N ALA A 94 5.596 -2.689 -0.330 1.00 0.00 N ATOM 1440 CA ALA A 94 5.556 -1.345 0.266 1.00 0.00 C ATOM 1441 C ALA A 94 6.936 -0.661 0.379 1.00 0.00 C ATOM 1442 O ALA A 94 7.035 0.552 0.193 1.00 0.00 O ATOM 1443 CB ALA A 94 4.898 -1.471 1.643 1.00 0.00 C ATOM 0 H ALA A 94 5.130 -3.393 0.242 1.00 0.00 H new ATOM 0 HA ALA A 94 4.982 -0.698 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.852 -0.490 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.889 -1.867 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.484 -2.146 2.266 1.00 0.00 H new ATOM 1449 N GLU A 95 8.000 -1.438 0.608 1.00 0.00 N ATOM 1450 CA GLU A 95 9.388 -0.958 0.625 1.00 0.00 C ATOM 1451 C GLU A 95 9.861 -0.459 -0.752 1.00 0.00 C ATOM 1452 O GLU A 95 10.616 0.509 -0.828 1.00 0.00 O ATOM 1453 CB GLU A 95 10.295 -2.091 1.141 1.00 0.00 C ATOM 1454 CG GLU A 95 11.749 -1.654 1.358 1.00 0.00 C ATOM 1455 CD GLU A 95 12.556 -2.753 2.065 1.00 0.00 C ATOM 1456 OE1 GLU A 95 13.069 -3.668 1.377 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.688 -2.708 3.312 1.00 0.00 O ATOM 0 H GLU A 95 7.920 -2.438 0.790 1.00 0.00 H new ATOM 0 HA GLU A 95 9.445 -0.097 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.893 -2.469 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.273 -2.917 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.209 -1.421 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.773 -0.741 1.953 1.00 0.00 H new ATOM 1464 N GLU A 96 9.403 -1.068 -1.851 1.00 0.00 N ATOM 1465 CA GLU A 96 9.760 -0.637 -3.207 1.00 0.00 C ATOM 1466 C GLU A 96 9.027 0.660 -3.573 1.00 0.00 C ATOM 1467 O GLU A 96 9.620 1.542 -4.194 1.00 0.00 O ATOM 1468 CB GLU A 96 9.409 -1.724 -4.236 1.00 0.00 C ATOM 1469 CG GLU A 96 10.187 -3.036 -4.054 1.00 0.00 C ATOM 1470 CD GLU A 96 11.257 -3.216 -5.136 1.00 0.00 C ATOM 1471 OE1 GLU A 96 12.359 -2.631 -5.014 1.00 0.00 O ATOM 1472 OE2 GLU A 96 10.995 -3.968 -6.104 1.00 0.00 O ATOM 0 H GLU A 96 8.776 -1.872 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 96 10.836 -0.461 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.342 -1.936 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.600 -1.337 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.658 -3.046 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.494 -3.877 -4.084 1.00 0.00 H new ATOM 1479 N ILE A 97 7.766 0.809 -3.141 1.00 0.00 N ATOM 1480 CA ILE A 97 7.006 2.063 -3.288 1.00 0.00 C ATOM 1481 C ILE A 97 7.710 3.193 -2.529 1.00 0.00 C ATOM 1482 O ILE A 97 7.954 4.252 -3.106 1.00 0.00 O ATOM 1483 CB ILE A 97 5.531 1.921 -2.828 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.813 0.739 -3.522 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.786 3.237 -3.131 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.374 0.501 -3.041 1.00 0.00 C ATOM 0 H ILE A 97 7.243 0.065 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 97 6.977 2.307 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 97 5.527 1.715 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.799 0.919 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.393 -0.169 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.748 3.149 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.263 4.057 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.821 3.436 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.946 -0.345 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.378 0.287 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.775 1.392 -3.230 1.00 0.00 H new ATOM 1498 N PHE A 98 8.088 2.963 -1.265 1.00 0.00 N ATOM 1499 CA PHE A 98 8.798 3.933 -0.439 1.00 0.00 C ATOM 1500 C PHE A 98 10.134 4.371 -1.054 1.00 0.00 C ATOM 1501 O PHE A 98 10.412 5.570 -1.121 1.00 0.00 O ATOM 1502 CB PHE A 98 8.998 3.301 0.939 1.00 0.00 C ATOM 1503 CG PHE A 98 9.784 4.150 1.914 1.00 0.00 C ATOM 1504 CD1 PHE A 98 9.126 5.114 2.700 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.169 3.945 2.065 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.845 5.840 3.664 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.890 4.683 3.019 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.225 5.618 3.830 1.00 0.00 C ATOM 0 H PHE A 98 7.904 2.082 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 98 8.206 4.845 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.021 3.086 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.509 2.346 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.070 5.295 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.678 3.220 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.338 6.569 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.954 4.532 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.773 6.167 4.581 1.00 0.00 H new ATOM 1518 N ASN A 99 10.940 3.424 -1.552 1.00 0.00 N ATOM 1519 CA ASN A 99 12.204 3.732 -2.225 1.00 0.00 C ATOM 1520 C ASN A 99 11.989 4.547 -3.509 1.00 0.00 C ATOM 1521 O ASN A 99 12.606 5.601 -3.668 1.00 0.00 O ATOM 1522 CB ASN A 99 12.983 2.446 -2.522 1.00 0.00 C ATOM 1523 CG ASN A 99 13.805 1.989 -1.324 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.848 2.554 -1.010 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.359 0.968 -0.622 1.00 0.00 N ATOM 0 H ASN A 99 10.733 2.427 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 99 12.793 4.349 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.286 1.657 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.643 2.610 -3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.882 0.641 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.491 0.505 -0.891 1.00 0.00 H new ATOM 1532 N LEU A 100 11.074 4.112 -4.384 1.00 0.00 N ATOM 1533 CA LEU A 100 10.753 4.806 -5.636 1.00 0.00 C ATOM 1534 C LEU A 100 10.221 6.221 -5.368 1.00 0.00 C ATOM 1535 O LEU A 100 10.609 7.156 -6.064 1.00 0.00 O ATOM 1536 CB LEU A 100 9.753 3.938 -6.429 1.00 0.00 C ATOM 1537 CG LEU A 100 9.288 4.535 -7.771 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.455 4.765 -8.746 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.263 3.596 -8.421 1.00 0.00 C ATOM 0 H LEU A 100 10.531 3.260 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 100 11.655 4.938 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.211 2.967 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.877 3.760 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 100 8.840 5.505 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.074 5.187 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.171 5.456 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.948 3.815 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.934 4.018 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.721 2.623 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.405 3.480 -7.759 1.00 0.00 H new ATOM 1551 N LEU A 101 9.404 6.401 -4.327 1.00 0.00 N ATOM 1552 CA LEU A 101 8.917 7.704 -3.884 1.00 0.00 C ATOM 1553 C LEU A 101 10.069 8.642 -3.506 1.00 0.00 C ATOM 1554 O LEU A 101 10.170 9.720 -4.089 1.00 0.00 O ATOM 1555 CB LEU A 101 7.919 7.494 -2.726 1.00 0.00 C ATOM 1556 CG LEU A 101 7.191 8.759 -2.241 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.353 9.410 -3.350 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.269 8.387 -1.074 1.00 0.00 C ATOM 0 H LEU A 101 9.057 5.628 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 101 8.398 8.198 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.173 6.765 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.455 7.058 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 101 7.948 9.479 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.859 10.299 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.002 9.691 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.602 8.702 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.748 9.278 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.540 7.648 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.862 7.970 -0.260 1.00 0.00 H new ATOM 1570 N GLN A 102 10.956 8.245 -2.583 1.00 0.00 N ATOM 1571 CA GLN A 102 12.062 9.118 -2.178 1.00 0.00 C ATOM 1572 C GLN A 102 13.092 9.346 -3.296 1.00 0.00 C ATOM 1573 O GLN A 102 13.690 10.420 -3.363 1.00 0.00 O ATOM 1574 CB GLN A 102 12.725 8.639 -0.880 1.00 0.00 C ATOM 1575 CG GLN A 102 13.448 7.283 -0.931 1.00 0.00 C ATOM 1576 CD GLN A 102 14.212 6.942 0.353 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.355 7.736 1.276 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.744 5.740 0.471 1.00 0.00 N ATOM 0 H GLN A 102 10.930 7.341 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 102 11.616 10.092 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.444 9.396 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.959 8.587 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.717 6.499 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.146 7.285 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.640 5.060 -0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.259 5.491 1.315 1.00 0.00 H new ATOM 1587 N ASP A 103 13.258 8.381 -4.205 1.00 0.00 N ATOM 1588 CA ASP A 103 14.102 8.514 -5.395 1.00 0.00 C ATOM 1589 C ASP A 103 13.551 9.587 -6.351 1.00 0.00 C ATOM 1590 O ASP A 103 14.263 10.534 -6.686 1.00 0.00 O ATOM 1591 CB ASP A 103 14.230 7.158 -6.119 1.00 0.00 C ATOM 1592 CG ASP A 103 15.204 6.162 -5.459 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.205 6.593 -4.838 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.001 4.937 -5.631 1.00 0.00 O ATOM 0 H ASP A 103 12.802 7.471 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 103 15.093 8.832 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.244 6.697 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.556 7.338 -7.143 1.00 0.00 H new ATOM 1599 N LEU A 104 12.271 9.500 -6.734 1.00 0.00 N ATOM 1600 CA LEU A 104 11.618 10.483 -7.609 1.00 0.00 C ATOM 1601 C LEU A 104 11.560 11.887 -6.984 1.00 0.00 C ATOM 1602 O LEU A 104 11.538 12.879 -7.712 1.00 0.00 O ATOM 1603 CB LEU A 104 10.206 9.984 -7.972 1.00 0.00 C ATOM 1604 CG LEU A 104 10.195 8.721 -8.860 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.787 8.123 -8.878 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.650 9.015 -10.298 1.00 0.00 C ATOM 0 H LEU A 104 11.655 8.741 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 104 12.219 10.577 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.659 9.774 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.671 10.782 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 104 10.903 8.011 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.778 7.231 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.492 7.856 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.086 8.855 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.625 8.095 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.982 9.749 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.666 9.409 -10.285 1.00 0.00 H new ATOM 1618 N MET A 105 11.606 11.980 -5.650 1.00 0.00 N ATOM 1619 CA MET A 105 11.669 13.242 -4.901 1.00 0.00 C ATOM 1620 C MET A 105 13.089 13.835 -4.799 1.00 0.00 C ATOM 1621 O MET A 105 13.216 15.003 -4.428 1.00 0.00 O ATOM 1622 CB MET A 105 11.026 13.047 -3.516 1.00 0.00 C ATOM 1623 CG MET A 105 9.517 12.791 -3.644 1.00 0.00 C ATOM 1624 SD MET A 105 8.685 12.233 -2.132 1.00 0.00 S ATOM 1625 CE MET A 105 8.413 13.813 -1.307 1.00 0.00 C ATOM 0 H MET A 105 11.600 11.159 -5.045 1.00 0.00 H new ATOM 0 HA MET A 105 11.102 13.984 -5.463 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.499 12.208 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.198 13.932 -2.903 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.038 13.710 -3.983 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.358 12.044 -4.421 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.845 13.780 -0.307 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.886 14.609 -1.881 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.343 14.006 -1.233 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.587 5.906 2.706 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.724 6.083 4.152 1.00 0.00 C ATOM 2021 C PHE A 136 -9.550 6.895 4.723 1.00 0.00 C ATOM 2022 O PHE A 136 -8.402 6.444 4.699 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.866 4.710 4.827 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.304 4.792 6.279 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.369 5.080 7.292 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.659 4.604 6.614 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.789 5.183 8.630 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -13.076 4.701 7.955 1.00 0.00 C ATOM 2029 CZ PHE A 136 -12.140 4.993 8.963 1.00 0.00 C ATOM 0 HA PHE A 136 -11.627 6.657 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.589 4.113 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.911 4.187 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -9.328 5.222 7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -13.380 4.385 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -10.070 5.409 9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -14.115 4.551 8.210 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.460 5.071 9.992 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.847 8.085 5.260 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.881 8.962 5.929 1.00 0.00 C ATOM 2041 C ARG A 137 -8.660 8.527 7.385 1.00 0.00 C ATOM 2042 O ARG A 137 -9.606 8.494 8.176 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.396 10.408 5.878 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.487 10.935 4.436 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.087 12.340 4.374 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.501 12.353 4.788 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.195 13.402 5.206 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.669 14.608 5.282 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.449 13.235 5.561 1.00 0.00 N ATOM 0 H ARG A 137 -10.790 8.473 5.240 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.924 8.894 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.379 10.460 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.733 11.050 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.492 10.946 3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -10.095 10.255 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.514 13.008 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.003 12.726 3.358 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.997 11.463 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.696 14.758 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.235 15.391 5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.874 12.309 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.998 14.031 5.885 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.414 8.221 7.756 1.00 0.00 N ATOM 2064 CA LEU A 138 -7.018 7.901 9.135 1.00 0.00 C ATOM 2065 C LEU A 138 -6.780 9.178 9.962 1.00 0.00 C ATOM 2066 O LEU A 138 -6.330 10.196 9.430 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.746 7.027 9.127 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.851 5.678 8.390 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.485 4.985 8.428 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.887 4.754 9.036 1.00 0.00 C ATOM 0 H LEU A 138 -6.636 8.187 7.097 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.833 7.349 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.938 7.602 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.458 6.831 10.160 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.165 5.878 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.548 4.029 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.743 5.616 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.191 4.817 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.929 3.814 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.604 4.557 10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.866 5.233 9.013 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.034 9.103 11.275 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.702 10.165 12.244 1.00 0.00 C ATOM 2084 C ARG A 139 -5.217 10.183 12.642 1.00 0.00 C ATOM 2085 O ARG A 139 -4.677 11.237 12.978 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.551 9.996 13.515 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.005 10.449 13.316 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.778 10.375 14.639 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.152 10.887 14.489 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.031 11.071 15.468 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.755 10.776 16.722 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.222 11.561 15.193 1.00 0.00 N ATOM 0 H ARG A 139 -7.482 8.293 11.704 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.920 11.111 11.748 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.538 8.950 13.820 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.103 10.570 14.326 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.025 11.469 12.933 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.489 9.819 12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.809 9.342 14.987 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.254 10.952 15.401 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.457 11.122 13.544 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.842 10.393 16.967 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.455 10.930 17.448 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.467 11.798 14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.900 11.704 15.942 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.561 9.022 12.598 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.167 8.800 13.013 1.00 0.00 C ATOM 2108 C HIS A 140 -2.382 7.944 11.999 1.00 0.00 C ATOM 2109 O HIS A 140 -2.961 7.183 11.220 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.162 8.158 14.411 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.619 9.093 15.499 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.841 10.103 16.068 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.850 9.093 16.088 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.627 10.689 16.986 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.838 10.105 17.021 1.00 0.00 N ATOM 0 H HIS A 140 -5.004 8.169 12.257 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.657 9.763 13.049 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.807 7.280 14.402 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -2.154 7.811 14.640 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.672 8.429 15.866 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.327 11.517 17.611 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.612 10.366 17.632 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.052 8.084 12.002 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.158 7.490 11.005 1.00 0.00 C ATOM 2125 C PHE A 141 0.229 6.041 11.390 1.00 0.00 C ATOM 2126 O PHE A 141 0.776 5.849 12.483 1.00 0.00 O ATOM 2127 CB PHE A 141 1.061 8.412 10.858 1.00 0.00 C ATOM 2128 CG PHE A 141 1.792 8.228 9.549 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.347 8.914 8.404 1.00 0.00 C ATOM 2130 CD2 PHE A 141 2.911 7.381 9.470 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.018 8.751 7.182 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.586 7.223 8.247 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.134 7.902 7.103 1.00 0.00 C ATOM 0 H PHE A 141 -0.558 8.624 12.712 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.660 7.409 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.736 9.449 10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.751 8.226 11.681 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.489 9.566 8.465 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.252 6.852 10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.676 9.278 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.452 6.580 8.187 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.646 7.771 6.161 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.049 5.020 10.547 1.00 0.00 N ATOM 2144 CA PRO A 142 0.082 3.614 10.934 1.00 0.00 C ATOM 2145 C PRO A 142 1.474 3.008 10.685 1.00 0.00 C ATOM 2146 O PRO A 142 1.847 2.062 11.377 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.978 2.890 10.101 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.982 3.685 8.796 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.761 5.120 9.278 1.00 0.00 C ATOM 0 HA PRO A 142 -0.054 3.511 12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.719 1.844 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.954 2.904 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.192 3.358 8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.925 3.578 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.182 5.690 8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.711 5.638 9.405 1.00 0.00 H new ATOM 2157 N CYS A 143 2.248 3.529 9.722 1.00 0.00 N ATOM 2158 CA CYS A 143 3.564 2.992 9.355 1.00 0.00 C ATOM 2159 C CYS A 143 4.678 3.511 10.281 1.00 0.00 C ATOM 2160 O CYS A 143 4.730 4.703 10.594 1.00 0.00 O ATOM 2161 CB CYS A 143 3.854 3.350 7.891 1.00 0.00 C ATOM 2162 SG CYS A 143 2.767 2.404 6.789 1.00 0.00 S ATOM 0 H CYS A 143 1.974 4.343 9.171 1.00 0.00 H new ATOM 0 HA CYS A 143 3.545 1.909 9.473 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.704 4.418 7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.897 3.137 7.656 1.00 0.00 H new ATOM 0 HG CYS A 143 3.419 1.390 6.302 1.00 0.00 H new ATOM 2168 N GLY A 144 5.605 2.633 10.683 1.00 0.00 N ATOM 2169 CA GLY A 144 6.707 2.983 11.593 1.00 0.00 C ATOM 2170 C GLY A 144 7.814 3.806 10.929 1.00 0.00 C ATOM 2171 O GLY A 144 8.322 4.757 11.526 1.00 0.00 O ATOM 0 H GLY A 144 5.614 1.657 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.306 3.544 12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.139 2.067 11.996 1.00 0.00 H new ATOM 2175 N ASN A 145 8.184 3.484 9.686 1.00 0.00 N ATOM 2176 CA ASN A 145 9.328 4.098 8.995 1.00 0.00 C ATOM 2177 C ASN A 145 8.959 5.432 8.315 1.00 0.00 C ATOM 2178 O ASN A 145 8.960 5.552 7.090 1.00 0.00 O ATOM 2179 CB ASN A 145 9.948 3.105 8.010 1.00 0.00 C ATOM 2180 CG ASN A 145 10.402 1.808 8.672 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.410 1.764 9.368 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.670 0.725 8.483 1.00 0.00 N ATOM 0 H ASN A 145 7.697 2.786 9.125 1.00 0.00 H new ATOM 0 HA ASN A 145 10.077 4.345 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.221 2.873 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.801 3.574 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.942 -0.157 8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.833 0.770 7.902 1.00 0.00 H new ATOM 2189 N VAL A 146 8.626 6.432 9.127 1.00 0.00 N ATOM 2190 CA VAL A 146 8.304 7.808 8.701 1.00 0.00 C ATOM 2191 C VAL A 146 9.543 8.505 8.123 1.00 0.00 C ATOM 2192 O VAL A 146 10.649 8.390 8.650 1.00 0.00 O ATOM 2193 CB VAL A 146 7.691 8.637 9.859 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.632 10.153 9.591 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.250 8.181 10.106 1.00 0.00 C ATOM 0 H VAL A 146 8.568 6.311 10.138 1.00 0.00 H new ATOM 0 HA VAL A 146 7.552 7.740 7.915 1.00 0.00 H new ATOM 0 HB VAL A 146 8.347 8.467 10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.190 10.657 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.640 10.533 9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.024 10.343 8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 146 5.819 8.763 10.920 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.661 8.330 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.243 7.124 10.373 1.00 0.00 H new ATOM 2205 N ASN A 147 9.319 9.252 7.042 1.00 0.00 N ATOM 2206 CA ASN A 147 10.313 9.976 6.253 1.00 0.00 C ATOM 2207 C ASN A 147 9.733 11.313 5.739 1.00 0.00 C ATOM 2208 O ASN A 147 8.519 11.464 5.569 1.00 0.00 O ATOM 2209 CB ASN A 147 10.763 9.046 5.111 1.00 0.00 C ATOM 2210 CG ASN A 147 12.031 9.473 4.375 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.732 10.403 4.757 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.376 8.772 3.307 1.00 0.00 N ATOM 0 H ASN A 147 8.377 9.375 6.671 1.00 0.00 H new ATOM 0 HA ASN A 147 11.179 10.242 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 147 10.920 8.048 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 147 9.952 8.970 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.229 9.005 2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 147 11.789 7.999 2.993 1.00 0.00 H new ATOM 2219 N TYR A 148 10.610 12.293 5.511 1.00 0.00 N ATOM 2220 CA TYR A 148 10.282 13.674 5.129 1.00 0.00 C ATOM 2221 C TYR A 148 11.053 14.088 3.861 1.00 0.00 C ATOM 2222 O TYR A 148 12.280 13.968 3.799 1.00 0.00 O ATOM 2223 CB TYR A 148 10.612 14.620 6.298 1.00 0.00 C ATOM 2224 CG TYR A 148 9.633 14.594 7.461 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.742 13.617 8.471 1.00 0.00 C ATOM 2226 CD2 TYR A 148 8.633 15.584 7.555 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.857 13.627 9.568 1.00 0.00 C ATOM 2228 CE2 TYR A 148 7.751 15.605 8.652 1.00 0.00 C ATOM 2229 CZ TYR A 148 7.861 14.625 9.665 1.00 0.00 C ATOM 2230 OH TYR A 148 7.018 14.645 10.735 1.00 0.00 O ATOM 0 H TYR A 148 11.616 12.141 5.591 1.00 0.00 H new ATOM 0 HA TYR A 148 9.217 13.738 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.603 14.370 6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.665 15.639 5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 148 10.507 12.857 8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 148 8.543 16.331 6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 148 8.940 12.871 10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 148 6.991 16.369 8.720 1.00 0.00 H new ATOM 0 HH TYR A 148 6.395 15.396 10.646 1.00 0.00 H new