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 80 CYS SG : rot -79:sc= 0.464 USER MOD Set 1.2: A 82 THR OG1 : rot 137:sc= 0.578 USER MOD Single : A 19 THR OG1 : rot 115:sc= 1.08 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0571 (180deg=-0.292) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.828 K(o=0.83,f=-0.62) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -120:sc=-0.00558 (180deg=-0.217) USER MOD Single : A 41 THR OG1 : rot -61:sc= 1.36 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.997 K(o=1,f=-3!) USER MOD Single : A 59 TYR OH : rot 152:sc= 0.361 USER MOD Single : A 61 CYS SG : rot -170:sc= -0.144 USER MOD Single : A 65 TYR OH : rot -111:sc= 0.0491 USER MOD Single : A 67 TYR OH : rot -158:sc= 0.264 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0363 K(o=-0.036,f=-2!) USER MOD Single : A 73 SER OG : rot 32:sc= 0.0491 USER MOD Single : A 76 SER OG : rot -152:sc= 0.685 USER MOD Single : A 81 GLN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=0.000882 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 102 GLN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 105 MET CE :methyl 153:sc= 0 (180deg=-0.253) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 174:sc= -0.71 USER MOD Single : A 145 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 147 ASN : amide:sc= 0.0714 K(o=0.071,f=-2.2) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.269 0.757 -11.501 1.00 0.00 N ATOM 234 CA THR A 19 6.385 1.892 -11.145 1.00 0.00 C ATOM 235 C THR A 19 4.931 1.502 -10.855 1.00 0.00 C ATOM 236 O THR A 19 4.294 2.133 -10.011 1.00 0.00 O ATOM 237 CB THR A 19 6.504 3.030 -12.174 1.00 0.00 C ATOM 238 OG1 THR A 19 5.498 3.994 -11.958 1.00 0.00 O ATOM 239 CG2 THR A 19 6.369 2.552 -13.616 1.00 0.00 C ATOM 0 HA THR A 19 6.750 2.265 -10.188 1.00 0.00 H new ATOM 0 HB THR A 19 7.501 3.448 -12.034 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.909 4.840 -11.683 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.462 3.402 -14.291 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.154 1.828 -13.834 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.394 2.084 -13.754 1.00 0.00 H new ATOM 247 N LYS A 20 4.419 0.436 -11.467 1.00 0.00 N ATOM 248 CA LYS A 20 3.093 -0.117 -11.177 1.00 0.00 C ATOM 249 C LYS A 20 3.141 -1.040 -9.942 1.00 0.00 C ATOM 250 O LYS A 20 3.986 -1.935 -9.873 1.00 0.00 O ATOM 251 CB LYS A 20 2.618 -0.862 -12.438 1.00 0.00 C ATOM 252 CG LYS A 20 1.126 -1.220 -12.390 1.00 0.00 C ATOM 253 CD LYS A 20 0.703 -2.138 -13.552 1.00 0.00 C ATOM 254 CE LYS A 20 0.946 -1.562 -14.957 1.00 0.00 C ATOM 255 NZ LYS A 20 0.090 -0.382 -15.253 1.00 0.00 N ATOM 0 H LYS A 20 4.921 -0.078 -12.191 1.00 0.00 H new ATOM 0 HA LYS A 20 2.387 0.677 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.811 -0.243 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.202 -1.774 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.904 -1.712 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.535 -0.305 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.242 -3.081 -13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.358 -2.366 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.994 -1.278 -15.052 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.758 -2.337 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.296 -0.036 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.912 -0.655 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.286 0.371 -14.563 1.00 0.00 H new ATOM 269 N PHE A 21 2.217 -0.870 -8.990 1.00 0.00 N ATOM 270 CA PHE A 21 2.166 -1.652 -7.746 1.00 0.00 C ATOM 271 C PHE A 21 0.726 -2.018 -7.361 1.00 0.00 C ATOM 272 O PHE A 21 -0.161 -1.167 -7.330 1.00 0.00 O ATOM 273 CB PHE A 21 2.864 -0.871 -6.617 1.00 0.00 C ATOM 274 CG PHE A 21 4.359 -0.699 -6.806 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.231 -1.748 -6.470 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.886 0.497 -7.323 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.615 -1.628 -6.671 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.272 0.623 -7.524 1.00 0.00 C ATOM 279 CZ PHE A 21 7.139 -0.434 -7.197 1.00 0.00 C ATOM 0 H PHE A 21 1.473 -0.176 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 21 2.694 -2.592 -7.908 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.405 0.114 -6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.686 -1.385 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.831 -2.660 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.227 1.318 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.273 -2.448 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.673 1.539 -7.933 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.203 -0.329 -7.349 1.00 0.00 H new ATOM 289 N LYS A 22 0.495 -3.295 -7.036 1.00 0.00 N ATOM 290 CA LYS A 22 -0.793 -3.776 -6.515 1.00 0.00 C ATOM 291 C LYS A 22 -0.987 -3.263 -5.082 1.00 0.00 C ATOM 292 O LYS A 22 -0.101 -3.434 -4.242 1.00 0.00 O ATOM 293 CB LYS A 22 -0.856 -5.319 -6.526 1.00 0.00 C ATOM 294 CG LYS A 22 -1.101 -5.982 -7.891 1.00 0.00 C ATOM 295 CD LYS A 22 0.009 -5.669 -8.900 1.00 0.00 C ATOM 296 CE LYS A 22 0.047 -6.597 -10.129 1.00 0.00 C ATOM 297 NZ LYS A 22 0.230 -8.029 -9.763 1.00 0.00 N ATOM 0 H LYS A 22 1.198 -4.028 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.588 -3.397 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.081 -5.702 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.648 -5.634 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.175 -7.062 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.057 -5.643 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.110 -4.641 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.971 -5.726 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.880 -6.486 -10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.859 -6.288 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.501 -8.571 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.977 -8.111 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.661 -8.406 -9.381 1.00 0.00 H new ATOM 311 N VAL A 23 -2.144 -2.666 -4.806 1.00 0.00 N ATOM 312 CA VAL A 23 -2.493 -2.117 -3.478 1.00 0.00 C ATOM 313 C VAL A 23 -3.954 -2.375 -3.098 1.00 0.00 C ATOM 314 O VAL A 23 -4.801 -2.565 -3.970 1.00 0.00 O ATOM 315 CB VAL A 23 -2.182 -0.603 -3.353 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.680 -0.299 -3.468 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.978 0.277 -4.331 1.00 0.00 C ATOM 0 H VAL A 23 -2.881 -2.543 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.855 -2.655 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.511 -0.341 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.518 0.775 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.142 -0.818 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.313 -0.638 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.706 1.322 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.748 -0.017 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.045 0.150 -4.149 1.00 0.00 H new ATOM 327 N THR A 24 -4.246 -2.331 -1.790 1.00 0.00 N ATOM 328 CA THR A 24 -5.599 -2.430 -1.218 1.00 0.00 C ATOM 329 C THR A 24 -5.715 -1.453 -0.062 1.00 0.00 C ATOM 330 O THR A 24 -4.961 -1.554 0.900 1.00 0.00 O ATOM 331 CB THR A 24 -5.884 -3.869 -0.760 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.798 -4.724 -1.881 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.292 -4.030 -0.189 1.00 0.00 C ATOM 0 H THR A 24 -3.525 -2.222 -1.077 1.00 0.00 H new ATOM 0 HA THR A 24 -6.341 -2.176 -1.975 1.00 0.00 H new ATOM 0 HB THR A 24 -5.156 -4.112 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.976 -5.647 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.443 -5.064 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.413 -3.373 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.026 -3.768 -0.951 1.00 0.00 H new ATOM 341 N ASN A 25 -6.636 -0.495 -0.151 1.00 0.00 N ATOM 342 CA ASN A 25 -6.839 0.511 0.895 1.00 0.00 C ATOM 343 C ASN A 25 -7.426 -0.125 2.170 1.00 0.00 C ATOM 344 O ASN A 25 -8.274 -1.019 2.071 1.00 0.00 O ATOM 345 CB ASN A 25 -7.736 1.633 0.351 1.00 0.00 C ATOM 346 CG ASN A 25 -7.811 2.818 1.310 1.00 0.00 C ATOM 347 OD1 ASN A 25 -8.777 2.991 2.036 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.798 3.662 1.355 1.00 0.00 N ATOM 0 H ASN A 25 -7.263 -0.393 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.877 0.940 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.352 1.969 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.739 1.243 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.824 4.456 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.989 3.521 0.750 1.00 0.00 H new ATOM 355 N VAL A 26 -6.989 0.328 3.351 1.00 0.00 N ATOM 356 CA VAL A 26 -7.422 -0.233 4.647 1.00 0.00 C ATOM 357 C VAL A 26 -7.918 0.836 5.624 1.00 0.00 C ATOM 358 O VAL A 26 -7.479 1.985 5.582 1.00 0.00 O ATOM 359 CB VAL A 26 -6.337 -1.105 5.319 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.043 -2.370 4.499 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.014 -0.368 5.598 1.00 0.00 C ATOM 0 H VAL A 26 -6.323 1.096 3.441 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.265 -0.879 4.401 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.765 -1.374 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.276 -2.959 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.953 -2.963 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.692 -2.087 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.309 -1.052 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.595 -0.005 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.201 0.476 6.262 1.00 0.00 H new ATOM 371 N ASP A 27 -8.837 0.435 6.510 1.00 0.00 N ATOM 372 CA ASP A 27 -9.336 1.256 7.621 1.00 0.00 C ATOM 373 C ASP A 27 -8.393 1.256 8.847 1.00 0.00 C ATOM 374 O ASP A 27 -7.294 0.697 8.818 1.00 0.00 O ATOM 375 CB ASP A 27 -10.780 0.839 7.978 1.00 0.00 C ATOM 376 CG ASP A 27 -10.945 -0.535 8.652 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.943 -1.269 8.828 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.100 -0.866 9.007 1.00 0.00 O ATOM 0 H ASP A 27 -9.265 -0.490 6.474 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.354 2.293 7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.202 1.597 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.374 0.846 7.064 1.00 0.00 H new ATOM 383 N ASP A 28 -8.830 1.875 9.948 1.00 0.00 N ATOM 384 CA ASP A 28 -8.074 1.975 11.205 1.00 0.00 C ATOM 385 C ASP A 28 -7.902 0.637 11.956 1.00 0.00 C ATOM 386 O ASP A 28 -7.060 0.525 12.848 1.00 0.00 O ATOM 387 CB ASP A 28 -8.736 3.025 12.107 1.00 0.00 C ATOM 388 CG ASP A 28 -10.092 2.578 12.681 1.00 0.00 C ATOM 389 OD1 ASP A 28 -11.052 2.410 11.893 1.00 0.00 O ATOM 390 OD2 ASP A 28 -10.197 2.429 13.921 1.00 0.00 O ATOM 0 H ASP A 28 -9.741 2.332 9.993 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.062 2.279 10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.062 3.261 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.877 3.944 11.538 1.00 0.00 H new ATOM 395 N GLU A 29 -8.668 -0.379 11.557 1.00 0.00 N ATOM 396 CA GLU A 29 -8.564 -1.772 12.012 1.00 0.00 C ATOM 397 C GLU A 29 -7.737 -2.649 11.042 1.00 0.00 C ATOM 398 O GLU A 29 -7.529 -3.836 11.306 1.00 0.00 O ATOM 399 CB GLU A 29 -9.979 -2.350 12.213 1.00 0.00 C ATOM 400 CG GLU A 29 -10.699 -1.772 13.438 1.00 0.00 C ATOM 401 CD GLU A 29 -10.088 -2.282 14.749 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.321 -3.465 15.084 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.403 -1.511 15.458 1.00 0.00 O ATOM 0 H GLU A 29 -9.415 -0.250 10.875 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.029 -1.780 12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.575 -2.152 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.911 -3.433 12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.646 -0.684 13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.755 -2.041 13.400 1.00 0.00 H new ATOM 410 N GLY A 30 -7.252 -2.084 9.926 1.00 0.00 N ATOM 411 CA GLY A 30 -6.446 -2.776 8.915 1.00 0.00 C ATOM 412 C GLY A 30 -7.258 -3.674 7.976 1.00 0.00 C ATOM 413 O GLY A 30 -6.675 -4.527 7.308 1.00 0.00 O ATOM 0 H GLY A 30 -7.416 -1.104 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.913 -2.034 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.693 -3.382 9.419 1.00 0.00 H new ATOM 417 N VAL A 31 -8.582 -3.510 7.920 1.00 0.00 N ATOM 418 CA VAL A 31 -9.499 -4.351 7.131 1.00 0.00 C ATOM 419 C VAL A 31 -9.480 -3.898 5.669 1.00 0.00 C ATOM 420 O VAL A 31 -9.640 -2.712 5.388 1.00 0.00 O ATOM 421 CB VAL A 31 -10.945 -4.312 7.686 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.864 -5.279 6.920 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.979 -4.691 9.178 1.00 0.00 C ATOM 0 H VAL A 31 -9.063 -2.771 8.433 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.154 -5.382 7.202 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.301 -3.290 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.871 -5.228 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.889 -4.999 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.483 -6.296 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.007 -4.655 9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.585 -5.699 9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.370 -3.988 9.746 1.00 0.00 H new ATOM 433 N GLU A 32 -9.291 -4.848 4.749 1.00 0.00 N ATOM 434 CA GLU A 32 -9.265 -4.625 3.297 1.00 0.00 C ATOM 435 C GLU A 32 -10.616 -4.095 2.787 1.00 0.00 C ATOM 436 O GLU A 32 -11.637 -4.782 2.881 1.00 0.00 O ATOM 437 CB GLU A 32 -8.906 -5.941 2.586 1.00 0.00 C ATOM 438 CG GLU A 32 -7.448 -6.362 2.817 1.00 0.00 C ATOM 439 CD GLU A 32 -7.160 -7.721 2.159 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.408 -8.770 2.801 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.684 -7.750 1.001 1.00 0.00 O ATOM 0 H GLU A 32 -9.147 -5.826 5.000 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.510 -3.870 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.568 -6.732 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.083 -5.831 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.778 -5.606 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.247 -6.421 3.887 1.00 0.00 H new ATOM 448 N LEU A 33 -10.619 -2.875 2.236 1.00 0.00 N ATOM 449 CA LEU A 33 -11.832 -2.184 1.776 1.00 0.00 C ATOM 450 C LEU A 33 -12.051 -2.348 0.268 1.00 0.00 C ATOM 451 O LEU A 33 -13.119 -2.787 -0.164 1.00 0.00 O ATOM 452 CB LEU A 33 -11.745 -0.690 2.142 1.00 0.00 C ATOM 453 CG LEU A 33 -11.511 -0.388 3.634 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.460 1.129 3.812 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.593 -1.000 4.537 1.00 0.00 C ATOM 0 H LEU A 33 -9.767 -2.332 2.095 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.687 -2.638 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.937 -0.239 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.669 -0.203 1.831 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.569 -0.844 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.295 1.367 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.645 1.538 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.404 1.566 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.379 -0.756 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.567 -0.596 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.601 -2.083 4.412 1.00 0.00 H new ATOM 467 N GLY A 34 -11.034 -1.997 -0.524 1.00 0.00 N ATOM 468 CA GLY A 34 -11.043 -2.090 -1.988 1.00 0.00 C ATOM 469 C GLY A 34 -9.643 -2.092 -2.591 1.00 0.00 C ATOM 470 O GLY A 34 -8.760 -1.362 -2.139 1.00 0.00 O ATOM 0 H GLY A 34 -10.157 -1.630 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.563 -3.001 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.608 -1.252 -2.397 1.00 0.00 H new ATOM 474 N SER A 35 -9.442 -2.910 -3.620 1.00 0.00 N ATOM 475 CA SER A 35 -8.178 -3.028 -4.356 1.00 0.00 C ATOM 476 C SER A 35 -8.044 -1.983 -5.482 1.00 0.00 C ATOM 477 O SER A 35 -9.030 -1.440 -5.995 1.00 0.00 O ATOM 478 CB SER A 35 -8.015 -4.463 -4.879 1.00 0.00 C ATOM 479 OG SER A 35 -9.118 -4.865 -5.686 1.00 0.00 O ATOM 0 H SER A 35 -10.171 -3.528 -3.978 1.00 0.00 H new ATOM 0 HA SER A 35 -7.364 -2.814 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.095 -4.535 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.914 -5.147 -4.036 1.00 0.00 H new ATOM 0 HG SER A 35 -8.976 -5.782 -6.001 1.00 0.00 H new ATOM 485 N GLY A 36 -6.796 -1.679 -5.855 1.00 0.00 N ATOM 486 CA GLY A 36 -6.423 -0.676 -6.854 1.00 0.00 C ATOM 487 C GLY A 36 -4.986 -0.839 -7.348 1.00 0.00 C ATOM 488 O GLY A 36 -4.218 -1.651 -6.819 1.00 0.00 O ATOM 0 H GLY A 36 -5.985 -2.146 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.104 -0.744 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.545 0.319 -6.426 1.00 0.00 H new ATOM 492 N VAL A 37 -4.627 -0.052 -8.362 1.00 0.00 N ATOM 493 CA VAL A 37 -3.288 -0.050 -8.970 1.00 0.00 C ATOM 494 C VAL A 37 -2.623 1.302 -8.706 1.00 0.00 C ATOM 495 O VAL A 37 -3.050 2.336 -9.216 1.00 0.00 O ATOM 496 CB VAL A 37 -3.352 -0.374 -10.480 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.957 -0.321 -11.123 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.948 -1.772 -10.720 1.00 0.00 C ATOM 0 H VAL A 37 -5.266 0.615 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.685 -0.835 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.991 0.382 -10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.037 -0.554 -12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.538 0.678 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.306 -1.050 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.982 -1.974 -11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.328 -2.521 -10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.958 -1.812 -10.311 1.00 0.00 H new ATOM 508 N MET A 38 -1.560 1.272 -7.902 1.00 0.00 N ATOM 509 CA MET A 38 -0.736 2.427 -7.543 1.00 0.00 C ATOM 510 C MET A 38 0.329 2.668 -8.623 1.00 0.00 C ATOM 511 O MET A 38 0.887 1.718 -9.178 1.00 0.00 O ATOM 512 CB MET A 38 -0.109 2.158 -6.165 1.00 0.00 C ATOM 513 CG MET A 38 0.553 3.387 -5.536 1.00 0.00 C ATOM 514 SD MET A 38 -0.613 4.667 -5.011 1.00 0.00 S ATOM 515 CE MET A 38 -1.097 4.026 -3.389 1.00 0.00 C ATOM 0 H MET A 38 -1.236 0.409 -7.466 1.00 0.00 H new ATOM 0 HA MET A 38 -1.340 3.333 -7.484 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.882 1.788 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.634 1.367 -6.263 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.139 3.069 -4.674 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.250 3.818 -6.254 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.172 3.848 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.572 3.091 -3.196 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.839 4.753 -2.619 1.00 0.00 H new ATOM 525 N GLU A 39 0.602 3.936 -8.919 1.00 0.00 N ATOM 526 CA GLU A 39 1.499 4.370 -9.994 1.00 0.00 C ATOM 527 C GLU A 39 2.235 5.664 -9.605 1.00 0.00 C ATOM 528 O GLU A 39 1.628 6.642 -9.159 1.00 0.00 O ATOM 529 CB GLU A 39 0.668 4.525 -11.277 1.00 0.00 C ATOM 530 CG GLU A 39 1.487 4.957 -12.495 1.00 0.00 C ATOM 531 CD GLU A 39 0.627 4.867 -13.764 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.286 5.709 -13.934 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.843 3.943 -14.584 1.00 0.00 O ATOM 0 H GLU A 39 0.194 4.716 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 39 2.276 3.626 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.178 3.577 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.120 5.258 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.845 5.978 -12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.367 4.322 -12.596 1.00 0.00 H new ATOM 540 N LEU A 40 3.563 5.671 -9.757 1.00 0.00 N ATOM 541 CA LEU A 40 4.444 6.766 -9.335 1.00 0.00 C ATOM 542 C LEU A 40 5.213 7.314 -10.550 1.00 0.00 C ATOM 543 O LEU A 40 5.998 6.589 -11.170 1.00 0.00 O ATOM 544 CB LEU A 40 5.405 6.255 -8.241 1.00 0.00 C ATOM 545 CG LEU A 40 4.880 6.308 -6.791 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.802 5.267 -6.462 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.044 6.105 -5.813 1.00 0.00 C ATOM 0 H LEU A 40 4.068 4.896 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 40 3.853 7.582 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.669 5.223 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.324 6.838 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 40 4.419 7.290 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.493 5.379 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.941 5.416 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.204 4.266 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.670 6.143 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.507 5.135 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.783 6.893 -5.959 1.00 0.00 H new ATOM 559 N THR A 41 4.979 8.585 -10.897 1.00 0.00 N ATOM 560 CA THR A 41 5.502 9.231 -12.118 1.00 0.00 C ATOM 561 C THR A 41 6.609 10.227 -11.789 1.00 0.00 C ATOM 562 O THR A 41 6.788 10.614 -10.640 1.00 0.00 O ATOM 563 CB THR A 41 4.375 9.919 -12.909 1.00 0.00 C ATOM 564 OG1 THR A 41 3.928 11.050 -12.199 1.00 0.00 O ATOM 565 CG2 THR A 41 3.184 9.001 -13.193 1.00 0.00 C ATOM 0 H THR A 41 4.409 9.211 -10.328 1.00 0.00 H new ATOM 0 HA THR A 41 5.928 8.447 -12.743 1.00 0.00 H new ATOM 0 HB THR A 41 4.796 10.201 -13.874 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.577 10.771 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.427 9.550 -13.753 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.517 8.143 -13.777 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.758 8.655 -12.251 1.00 0.00 H new ATOM 573 N GLN A 42 7.312 10.728 -12.805 1.00 0.00 N ATOM 574 CA GLN A 42 8.288 11.815 -12.637 1.00 0.00 C ATOM 575 C GLN A 42 7.629 13.180 -12.315 1.00 0.00 C ATOM 576 O GLN A 42 8.328 14.190 -12.227 1.00 0.00 O ATOM 577 CB GLN A 42 9.210 11.887 -13.870 1.00 0.00 C ATOM 578 CG GLN A 42 10.103 10.640 -14.008 1.00 0.00 C ATOM 579 CD GLN A 42 11.084 10.769 -15.177 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.099 11.453 -15.104 1.00 0.00 O ATOM 581 NE2 GLN A 42 10.831 10.127 -16.300 1.00 0.00 N ATOM 0 H GLN A 42 7.225 10.396 -13.766 1.00 0.00 H new ATOM 0 HA GLN A 42 8.896 11.582 -11.763 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.603 11.997 -14.769 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.838 12.775 -13.799 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.658 10.487 -13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.477 9.759 -14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.992 9.553 -16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.474 10.204 -17.088 1.00 0.00 H new ATOM 590 N SER A 43 6.305 13.233 -12.111 1.00 0.00 N ATOM 591 CA SER A 43 5.568 14.448 -11.722 1.00 0.00 C ATOM 592 C SER A 43 4.795 14.326 -10.392 1.00 0.00 C ATOM 593 O SER A 43 4.746 15.303 -9.641 1.00 0.00 O ATOM 594 CB SER A 43 4.575 14.827 -12.832 1.00 0.00 C ATOM 595 OG SER A 43 5.232 15.136 -14.056 1.00 0.00 O ATOM 0 H SER A 43 5.702 12.416 -12.213 1.00 0.00 H new ATOM 0 HA SER A 43 6.326 15.218 -11.576 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.880 14.003 -12.992 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.984 15.685 -12.512 1.00 0.00 H new ATOM 0 HG SER A 43 4.565 15.370 -14.735 1.00 0.00 H new ATOM 601 N GLU A 44 4.184 13.172 -10.087 1.00 0.00 N ATOM 602 CA GLU A 44 3.243 12.995 -8.970 1.00 0.00 C ATOM 603 C GLU A 44 2.857 11.525 -8.720 1.00 0.00 C ATOM 604 O GLU A 44 3.100 10.636 -9.546 1.00 0.00 O ATOM 605 CB GLU A 44 1.978 13.861 -9.175 1.00 0.00 C ATOM 606 CG GLU A 44 1.109 13.466 -10.373 1.00 0.00 C ATOM 607 CD GLU A 44 0.018 14.518 -10.632 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.744 14.858 -9.697 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.082 15.014 -11.780 1.00 0.00 O ATOM 0 H GLU A 44 4.333 12.316 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 44 3.769 13.331 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.370 13.809 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.283 14.901 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.733 13.358 -11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.648 12.496 -10.188 1.00 0.00 H new ATOM 616 N LEU A 45 2.205 11.283 -7.578 1.00 0.00 N ATOM 617 CA LEU A 45 1.606 10.004 -7.200 1.00 0.00 C ATOM 618 C LEU A 45 0.230 9.871 -7.875 1.00 0.00 C ATOM 619 O LEU A 45 -0.547 10.827 -7.865 1.00 0.00 O ATOM 620 CB LEU A 45 1.494 9.956 -5.655 1.00 0.00 C ATOM 621 CG LEU A 45 1.968 8.632 -5.029 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.898 8.698 -3.498 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.142 7.439 -5.511 1.00 0.00 C ATOM 0 H LEU A 45 2.077 12.002 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 45 2.221 9.167 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.079 10.774 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.456 10.128 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 45 3.001 8.490 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.238 7.752 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.537 9.505 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.870 8.885 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.513 6.527 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.097 7.587 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.227 7.351 -6.594 1.00 0.00 H new ATOM 635 N VAL A 46 -0.085 8.703 -8.434 1.00 0.00 N ATOM 636 CA VAL A 46 -1.342 8.390 -9.131 1.00 0.00 C ATOM 637 C VAL A 46 -1.878 7.043 -8.627 1.00 0.00 C ATOM 638 O VAL A 46 -1.112 6.121 -8.350 1.00 0.00 O ATOM 639 CB VAL A 46 -1.125 8.358 -10.667 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.422 8.036 -11.431 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.571 9.694 -11.197 1.00 0.00 C ATOM 0 H VAL A 46 0.556 7.910 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.075 9.168 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.398 7.565 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.220 8.025 -12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.794 7.059 -11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.172 8.796 -11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.434 9.628 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.274 10.495 -10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.387 9.905 -10.722 1.00 0.00 H new ATOM 651 N LEU A 47 -3.200 6.919 -8.504 1.00 0.00 N ATOM 652 CA LEU A 47 -3.880 5.729 -7.998 1.00 0.00 C ATOM 653 C LEU A 47 -5.149 5.478 -8.820 1.00 0.00 C ATOM 654 O LEU A 47 -6.064 6.306 -8.847 1.00 0.00 O ATOM 655 CB LEU A 47 -4.182 5.930 -6.499 1.00 0.00 C ATOM 656 CG LEU A 47 -4.324 4.651 -5.646 1.00 0.00 C ATOM 657 CD1 LEU A 47 -5.086 4.986 -4.361 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.993 3.461 -6.338 1.00 0.00 C ATOM 0 H LEU A 47 -3.845 7.666 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.249 4.846 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.387 6.539 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.105 6.503 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.304 4.324 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.189 4.086 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.537 5.742 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.075 5.369 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.040 2.618 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.002 3.738 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.413 3.178 -7.217 1.00 0.00 H new ATOM 670 N HIS A 48 -5.194 4.319 -9.474 1.00 0.00 N ATOM 671 CA HIS A 48 -6.287 3.845 -10.321 1.00 0.00 C ATOM 672 C HIS A 48 -7.173 2.825 -9.573 1.00 0.00 C ATOM 673 O HIS A 48 -6.660 1.835 -9.037 1.00 0.00 O ATOM 674 CB HIS A 48 -5.662 3.207 -11.571 1.00 0.00 C ATOM 675 CG HIS A 48 -4.770 4.130 -12.363 1.00 0.00 C ATOM 676 ND1 HIS A 48 -5.210 5.087 -13.281 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.405 4.146 -12.321 1.00 0.00 C ATOM 678 CE1 HIS A 48 -4.094 5.652 -13.773 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.996 5.106 -13.220 1.00 0.00 N ATOM 0 H HIS A 48 -4.427 3.649 -9.425 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.932 4.679 -10.599 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.083 2.334 -11.268 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.462 2.849 -12.220 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.771 3.527 -11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.081 6.439 -14.513 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.030 5.359 -13.430 1.00 0.00 H new ATOM 687 N LEU A 49 -8.491 3.055 -9.551 1.00 0.00 N ATOM 688 CA LEU A 49 -9.495 2.224 -8.874 1.00 0.00 C ATOM 689 C LEU A 49 -10.623 1.815 -9.835 1.00 0.00 C ATOM 690 O LEU A 49 -10.844 2.452 -10.865 1.00 0.00 O ATOM 691 CB LEU A 49 -10.089 2.990 -7.673 1.00 0.00 C ATOM 692 CG LEU A 49 -9.058 3.484 -6.636 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.661 4.951 -6.875 1.00 0.00 C ATOM 694 CD2 LEU A 49 -9.642 3.364 -5.227 1.00 0.00 C ATOM 0 H LEU A 49 -8.905 3.858 -10.024 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.000 1.318 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.644 3.850 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.807 2.343 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.170 2.861 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.934 5.258 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.222 5.052 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.546 5.584 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.910 3.714 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.545 3.970 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.888 2.322 -5.022 1.00 0.00 H new ATOM 786 N ALA A 54 -9.930 7.954 -10.748 1.00 0.00 N ATOM 787 CA ALA A 54 -8.534 7.870 -10.313 1.00 0.00 C ATOM 788 C ALA A 54 -8.091 9.094 -9.488 1.00 0.00 C ATOM 789 O ALA A 54 -8.467 10.232 -9.786 1.00 0.00 O ATOM 790 CB ALA A 54 -7.651 7.670 -11.555 1.00 0.00 C ATOM 0 HA ALA A 54 -8.426 7.019 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.606 7.605 -11.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.940 6.749 -12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.780 8.514 -12.233 1.00 0.00 H new ATOM 796 N VAL A 55 -7.259 8.861 -8.472 1.00 0.00 N ATOM 797 CA VAL A 55 -6.890 9.849 -7.439 1.00 0.00 C ATOM 798 C VAL A 55 -5.390 10.133 -7.497 1.00 0.00 C ATOM 799 O VAL A 55 -4.595 9.206 -7.619 1.00 0.00 O ATOM 800 CB VAL A 55 -7.287 9.376 -6.021 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.072 10.508 -5.006 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.762 8.945 -5.956 1.00 0.00 C ATOM 0 H VAL A 55 -6.807 7.957 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.442 10.766 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.656 8.520 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.355 10.163 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.022 10.800 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.686 11.365 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.002 8.620 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.399 9.787 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.932 8.123 -6.651 1.00 0.00 H new ATOM 812 N ARG A 56 -5.018 11.416 -7.447 1.00 0.00 N ATOM 813 CA ARG A 56 -3.652 11.894 -7.673 1.00 0.00 C ATOM 814 C ARG A 56 -3.209 12.889 -6.592 1.00 0.00 C ATOM 815 O ARG A 56 -4.010 13.708 -6.133 1.00 0.00 O ATOM 816 CB ARG A 56 -3.534 12.538 -9.068 1.00 0.00 C ATOM 817 CG ARG A 56 -3.995 11.636 -10.230 1.00 0.00 C ATOM 818 CD ARG A 56 -5.478 11.742 -10.623 1.00 0.00 C ATOM 819 NE ARG A 56 -5.834 13.085 -11.115 1.00 0.00 N ATOM 820 CZ ARG A 56 -7.061 13.577 -11.239 1.00 0.00 C ATOM 821 NH1 ARG A 56 -8.138 12.886 -10.920 1.00 0.00 N ATOM 822 NH2 ARG A 56 -7.225 14.800 -11.695 1.00 0.00 N ATOM 0 H ARG A 56 -5.675 12.169 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.990 11.030 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.122 13.455 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.495 12.823 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.391 11.870 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.784 10.600 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.700 11.005 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.098 11.498 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.063 13.695 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.046 11.935 -10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.062 13.302 -11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.413 15.362 -11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.164 15.186 -11.793 1.00 0.00 H new ATOM 836 N TRP A 57 -1.927 12.839 -6.220 1.00 0.00 N ATOM 837 CA TRP A 57 -1.319 13.667 -5.173 1.00 0.00 C ATOM 838 C TRP A 57 0.085 14.160 -5.599 1.00 0.00 C ATOM 839 O TRP A 57 0.980 13.324 -5.774 1.00 0.00 O ATOM 840 CB TRP A 57 -1.231 12.857 -3.868 1.00 0.00 C ATOM 841 CG TRP A 57 -2.530 12.391 -3.282 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.395 13.157 -2.579 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.128 11.057 -3.321 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.465 12.392 -2.158 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.333 11.077 -2.553 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.770 9.828 -3.921 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.115 9.932 -2.353 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.566 8.680 -3.752 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.729 8.727 -2.962 1.00 0.00 C ATOM 0 H TRP A 57 -1.261 12.200 -6.654 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.944 14.545 -5.013 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.606 11.983 -4.050 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.719 13.465 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.268 14.210 -2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.254 12.754 -1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.872 9.769 -4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.002 9.975 -1.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.282 7.756 -4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.325 7.837 -2.824 1.00 0.00 H new ATOM 860 N PRO A 58 0.311 15.484 -5.754 1.00 0.00 N ATOM 861 CA PRO A 58 1.626 16.028 -6.080 1.00 0.00 C ATOM 862 C PRO A 58 2.599 15.833 -4.919 1.00 0.00 C ATOM 863 O PRO A 58 2.236 15.979 -3.753 1.00 0.00 O ATOM 864 CB PRO A 58 1.418 17.509 -6.401 1.00 0.00 C ATOM 865 CG PRO A 58 0.106 17.868 -5.713 1.00 0.00 C ATOM 866 CD PRO A 58 -0.673 16.555 -5.664 1.00 0.00 C ATOM 0 HA PRO A 58 2.067 15.512 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.242 18.116 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.362 17.678 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.278 18.265 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.438 18.631 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.246 16.478 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.386 16.496 -6.486 1.00 0.00 H new ATOM 874 N TYR A 59 3.856 15.529 -5.245 1.00 0.00 N ATOM 875 CA TYR A 59 4.889 15.186 -4.257 1.00 0.00 C ATOM 876 C TYR A 59 5.253 16.354 -3.330 1.00 0.00 C ATOM 877 O TYR A 59 5.589 16.152 -2.164 1.00 0.00 O ATOM 878 CB TYR A 59 6.134 14.681 -4.995 1.00 0.00 C ATOM 879 CG TYR A 59 6.005 13.386 -5.785 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.075 12.391 -5.420 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.878 13.154 -6.867 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.021 11.179 -6.126 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.822 11.943 -7.581 1.00 0.00 C ATOM 884 CZ TYR A 59 5.890 10.950 -7.210 1.00 0.00 C ATOM 885 OH TYR A 59 5.810 9.776 -7.892 1.00 0.00 O ATOM 0 H TYR A 59 4.192 15.513 -6.208 1.00 0.00 H new ATOM 0 HA TYR A 59 4.483 14.406 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.459 15.463 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.930 14.550 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.401 12.562 -4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.595 13.911 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.310 10.419 -5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.491 11.773 -8.412 1.00 0.00 H new ATOM 0 HH TYR A 59 6.104 9.914 -8.817 1.00 0.00 H new ATOM 895 N LEU A 60 5.103 17.587 -3.821 1.00 0.00 N ATOM 896 CA LEU A 60 5.276 18.815 -3.046 1.00 0.00 C ATOM 897 C LEU A 60 4.137 19.069 -2.040 1.00 0.00 C ATOM 898 O LEU A 60 4.329 19.845 -1.103 1.00 0.00 O ATOM 899 CB LEU A 60 5.559 20.013 -3.971 1.00 0.00 C ATOM 900 CG LEU A 60 4.572 20.202 -5.141 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.424 21.699 -5.428 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.073 19.498 -6.414 1.00 0.00 C ATOM 0 H LEU A 60 4.851 17.762 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 60 6.158 18.680 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.558 20.922 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.563 19.903 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 60 3.615 19.764 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.728 21.844 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.044 22.204 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.395 22.116 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.355 19.650 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.038 19.914 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.181 18.431 -6.221 1.00 0.00 H new ATOM 914 N CYS A 61 2.995 18.375 -2.170 1.00 0.00 N ATOM 915 CA CYS A 61 1.929 18.351 -1.155 1.00 0.00 C ATOM 916 C CYS A 61 1.979 17.113 -0.234 1.00 0.00 C ATOM 917 O CYS A 61 1.096 16.956 0.610 1.00 0.00 O ATOM 918 CB CYS A 61 0.564 18.512 -1.841 1.00 0.00 C ATOM 919 SG CYS A 61 0.463 20.162 -2.598 1.00 0.00 S ATOM 0 H CYS A 61 2.783 17.809 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 61 2.093 19.196 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.433 17.742 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.238 18.383 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.754 20.382 -2.999 1.00 0.00 H new ATOM 925 N LEU A 62 2.993 16.244 -0.349 1.00 0.00 N ATOM 926 CA LEU A 62 3.244 15.170 0.619 1.00 0.00 C ATOM 927 C LEU A 62 4.163 15.711 1.718 1.00 0.00 C ATOM 928 O LEU A 62 5.369 15.865 1.509 1.00 0.00 O ATOM 929 CB LEU A 62 3.857 13.936 -0.071 1.00 0.00 C ATOM 930 CG LEU A 62 2.983 13.287 -1.160 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.761 12.115 -1.768 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.636 12.791 -0.614 1.00 0.00 C ATOM 0 H LEU A 62 3.663 16.267 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 62 2.303 14.846 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.809 14.225 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.076 13.187 0.690 1.00 0.00 H new ATOM 0 HG LEU A 62 2.759 14.041 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.158 11.641 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.690 12.482 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.989 11.387 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.059 12.342 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.810 12.047 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.082 13.631 -0.195 1.00 0.00 H new ATOM 944 N ARG A 63 3.601 16.000 2.896 1.00 0.00 N ATOM 945 CA ARG A 63 4.376 16.517 4.035 1.00 0.00 C ATOM 946 C ARG A 63 5.348 15.463 4.586 1.00 0.00 C ATOM 947 O ARG A 63 6.456 15.799 5.009 1.00 0.00 O ATOM 948 CB ARG A 63 3.441 16.996 5.155 1.00 0.00 C ATOM 949 CG ARG A 63 2.576 18.196 4.735 1.00 0.00 C ATOM 950 CD ARG A 63 1.745 18.753 5.900 1.00 0.00 C ATOM 951 NE ARG A 63 2.586 19.410 6.918 1.00 0.00 N ATOM 952 CZ ARG A 63 2.926 18.936 8.113 1.00 0.00 C ATOM 953 NH1 ARG A 63 2.561 17.747 8.548 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.667 19.677 8.909 1.00 0.00 N ATOM 0 H ARG A 63 2.606 15.885 3.089 1.00 0.00 H new ATOM 0 HA ARG A 63 4.961 17.361 3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.792 16.174 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.036 17.270 6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.218 18.984 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.909 17.895 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.017 19.467 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.183 17.942 6.363 1.00 0.00 H new ATOM 0 HE ARG A 63 2.948 20.333 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.990 17.142 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.850 17.432 9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.973 20.602 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.935 19.326 9.828 1.00 0.00 H new ATOM 968 N ARG A 64 4.926 14.193 4.563 1.00 0.00 N ATOM 969 CA ARG A 64 5.609 13.037 5.151 1.00 0.00 C ATOM 970 C ARG A 64 4.933 11.731 4.719 1.00 0.00 C ATOM 971 O ARG A 64 3.758 11.708 4.343 1.00 0.00 O ATOM 972 CB ARG A 64 5.700 13.161 6.689 1.00 0.00 C ATOM 973 CG ARG A 64 4.338 13.419 7.354 1.00 0.00 C ATOM 974 CD ARG A 64 4.459 13.698 8.852 1.00 0.00 C ATOM 975 NE ARG A 64 3.197 14.272 9.342 1.00 0.00 N ATOM 976 CZ ARG A 64 2.856 14.539 10.592 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.648 14.285 11.614 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.685 15.091 10.806 1.00 0.00 N ATOM 0 H ARG A 64 4.051 13.931 4.109 1.00 0.00 H new ATOM 0 HA ARG A 64 6.632 13.017 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.129 12.246 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.381 13.973 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.855 14.267 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.693 12.554 7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.685 12.776 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.283 14.387 9.040 1.00 0.00 H new ATOM 0 HE ARG A 64 2.499 14.491 8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.565 13.866 11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.344 14.507 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.069 15.301 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.391 15.310 11.758 1.00 0.00 H new ATOM 992 N TYR A 65 5.689 10.642 4.762 1.00 0.00 N ATOM 993 CA TYR A 65 5.330 9.331 4.215 1.00 0.00 C ATOM 994 C TYR A 65 6.179 8.230 4.855 1.00 0.00 C ATOM 995 O TYR A 65 7.293 8.484 5.313 1.00 0.00 O ATOM 996 CB TYR A 65 5.469 9.342 2.683 1.00 0.00 C ATOM 997 CG TYR A 65 6.804 9.849 2.159 1.00 0.00 C ATOM 998 CD1 TYR A 65 7.921 8.992 2.099 1.00 0.00 C ATOM 999 CD2 TYR A 65 6.922 11.180 1.715 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.156 9.458 1.604 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.151 11.652 1.220 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.274 10.797 1.167 1.00 0.00 C ATOM 1003 OH TYR A 65 10.459 11.272 0.696 1.00 0.00 O ATOM 0 H TYR A 65 6.611 10.644 5.198 1.00 0.00 H new ATOM 0 HA TYR A 65 4.288 9.117 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.312 8.329 2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.674 9.961 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.830 7.970 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.068 11.839 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.008 8.795 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.236 12.673 0.879 1.00 0.00 H new ATOM 0 HH TYR A 65 10.824 11.926 1.328 1.00 0.00 H new ATOM 1013 N GLY A 66 5.644 7.012 4.925 1.00 0.00 N ATOM 1014 CA GLY A 66 6.254 5.921 5.673 1.00 0.00 C ATOM 1015 C GLY A 66 5.715 4.551 5.311 1.00 0.00 C ATOM 1016 O GLY A 66 4.669 4.397 4.678 1.00 0.00 O ATOM 0 H GLY A 66 4.772 6.756 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.330 5.934 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.098 6.092 6.738 1.00 0.00 H new ATOM 1020 N TYR A 67 6.435 3.533 5.752 1.00 0.00 N ATOM 1021 CA TYR A 67 6.148 2.150 5.391 1.00 0.00 C ATOM 1022 C TYR A 67 6.423 1.180 6.543 1.00 0.00 C ATOM 1023 O TYR A 67 7.207 1.449 7.456 1.00 0.00 O ATOM 1024 CB TYR A 67 6.908 1.781 4.105 1.00 0.00 C ATOM 1025 CG TYR A 67 8.352 1.357 4.314 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.303 2.264 4.823 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.733 0.033 4.030 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.626 1.848 5.061 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.050 -0.396 4.283 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.007 0.515 4.787 1.00 0.00 C ATOM 1031 OH TYR A 67 12.293 0.117 4.992 1.00 0.00 O ATOM 0 H TYR A 67 7.238 3.640 6.372 1.00 0.00 H new ATOM 0 HA TYR A 67 5.081 2.058 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.376 0.972 3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.890 2.638 3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.015 3.284 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.013 -0.657 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.350 2.547 5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.330 -1.422 4.092 1.00 0.00 H new ATOM 0 HH TYR A 67 12.478 -0.682 4.455 1.00 0.00 H new ATOM 1041 N ASP A 68 5.759 0.038 6.469 1.00 0.00 N ATOM 1042 CA ASP A 68 5.925 -1.095 7.375 1.00 0.00 C ATOM 1043 C ASP A 68 5.965 -2.421 6.592 1.00 0.00 C ATOM 1044 O ASP A 68 5.881 -2.428 5.362 1.00 0.00 O ATOM 1045 CB ASP A 68 4.844 -1.037 8.473 1.00 0.00 C ATOM 1046 CG ASP A 68 5.489 -1.112 9.862 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.946 -2.221 10.230 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.557 -0.066 10.553 1.00 0.00 O ATOM 0 H ASP A 68 5.060 -0.136 5.747 1.00 0.00 H new ATOM 0 HA ASP A 68 6.887 -1.037 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.271 -0.114 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.143 -1.862 8.346 1.00 0.00 H new ATOM 1053 N SER A 69 6.115 -3.550 7.293 1.00 0.00 N ATOM 1054 CA SER A 69 6.407 -4.875 6.701 1.00 0.00 C ATOM 1055 C SER A 69 5.488 -5.295 5.529 1.00 0.00 C ATOM 1056 O SER A 69 5.945 -5.936 4.579 1.00 0.00 O ATOM 1057 CB SER A 69 6.374 -5.932 7.816 1.00 0.00 C ATOM 1058 OG SER A 69 6.945 -7.162 7.395 1.00 0.00 O ATOM 0 H SER A 69 6.037 -3.577 8.310 1.00 0.00 H new ATOM 0 HA SER A 69 7.397 -4.797 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.915 -5.559 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.343 -6.098 8.129 1.00 0.00 H new ATOM 0 HG SER A 69 6.908 -7.809 8.130 1.00 0.00 H new ATOM 1064 N ASN A 70 4.214 -4.874 5.550 1.00 0.00 N ATOM 1065 CA ASN A 70 3.223 -5.087 4.481 1.00 0.00 C ATOM 1066 C ASN A 70 2.306 -3.854 4.281 1.00 0.00 C ATOM 1067 O ASN A 70 1.166 -3.993 3.830 1.00 0.00 O ATOM 1068 CB ASN A 70 2.416 -6.365 4.790 1.00 0.00 C ATOM 1069 CG ASN A 70 3.250 -7.637 4.731 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.683 -8.074 3.671 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.449 -8.297 5.857 1.00 0.00 N ATOM 0 H ASN A 70 3.830 -4.357 6.341 1.00 0.00 H new ATOM 0 HA ASN A 70 3.748 -5.220 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.974 -6.275 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.593 -6.446 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.966 -9.176 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.086 -7.928 6.736 1.00 0.00 H new ATOM 1078 N LEU A 71 2.770 -2.649 4.647 1.00 0.00 N ATOM 1079 CA LEU A 71 1.960 -1.422 4.726 1.00 0.00 C ATOM 1080 C LEU A 71 2.697 -0.241 4.087 1.00 0.00 C ATOM 1081 O LEU A 71 3.876 -0.022 4.357 1.00 0.00 O ATOM 1082 CB LEU A 71 1.663 -1.124 6.213 1.00 0.00 C ATOM 1083 CG LEU A 71 0.404 -0.291 6.550 1.00 0.00 C ATOM 1084 CD1 LEU A 71 0.179 1.011 5.779 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.865 -1.157 6.467 1.00 0.00 C ATOM 0 H LEU A 71 3.745 -2.496 4.903 1.00 0.00 H new ATOM 0 HA LEU A 71 1.028 -1.567 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.582 -2.078 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.527 -0.606 6.629 1.00 0.00 H new ATOM 0 HG LEU A 71 0.611 0.038 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.741 1.483 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.019 1.685 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.099 0.794 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.737 -0.549 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.968 -1.555 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.790 -1.981 7.176 1.00 0.00 H new ATOM 1097 N PHE A 72 1.981 0.556 3.301 1.00 0.00 N ATOM 1098 CA PHE A 72 2.439 1.826 2.742 1.00 0.00 C ATOM 1099 C PHE A 72 1.431 2.926 3.092 1.00 0.00 C ATOM 1100 O PHE A 72 0.266 2.860 2.697 1.00 0.00 O ATOM 1101 CB PHE A 72 2.616 1.676 1.224 1.00 0.00 C ATOM 1102 CG PHE A 72 3.012 2.962 0.524 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.262 3.557 0.789 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.122 3.579 -0.378 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.615 4.766 0.164 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.482 4.782 -1.010 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.724 5.378 -0.735 1.00 0.00 C ATOM 0 H PHE A 72 1.027 0.327 3.024 1.00 0.00 H new ATOM 0 HA PHE A 72 3.403 2.106 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.375 0.919 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.684 1.311 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.950 3.083 1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.163 3.127 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.570 5.224 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.803 5.249 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.995 6.307 -1.215 1.00 0.00 H new ATOM 1117 N SER A 73 1.871 3.937 3.841 1.00 0.00 N ATOM 1118 CA SER A 73 1.038 5.096 4.210 1.00 0.00 C ATOM 1119 C SER A 73 1.711 6.461 3.958 1.00 0.00 C ATOM 1120 O SER A 73 2.934 6.601 4.012 1.00 0.00 O ATOM 1121 CB SER A 73 0.590 4.949 5.669 1.00 0.00 C ATOM 1122 OG SER A 73 -0.361 5.933 6.046 1.00 0.00 O ATOM 0 H SER A 73 2.819 3.981 4.214 1.00 0.00 H new ATOM 0 HA SER A 73 0.170 5.093 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.161 3.958 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.460 5.020 6.322 1.00 0.00 H new ATOM 0 HG SER A 73 -0.912 6.170 5.271 1.00 0.00 H new ATOM 1128 N PHE A 74 0.904 7.496 3.701 1.00 0.00 N ATOM 1129 CA PHE A 74 1.377 8.859 3.428 1.00 0.00 C ATOM 1130 C PHE A 74 0.380 9.943 3.861 1.00 0.00 C ATOM 1131 O PHE A 74 -0.830 9.711 3.916 1.00 0.00 O ATOM 1132 CB PHE A 74 1.783 9.000 1.951 1.00 0.00 C ATOM 1133 CG PHE A 74 0.701 8.661 0.942 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.217 9.641 0.517 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.622 7.357 0.417 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.205 9.317 -0.431 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.360 7.037 -0.536 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.274 8.016 -0.959 1.00 0.00 C ATOM 0 H PHE A 74 -0.112 7.410 3.676 1.00 0.00 H new ATOM 0 HA PHE A 74 2.262 9.022 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.109 10.026 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.643 8.357 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.163 10.642 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.318 6.600 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.911 10.068 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.412 6.038 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.030 7.769 -1.690 1.00 0.00 H new ATOM 1148 N GLU A 75 0.912 11.124 4.190 1.00 0.00 N ATOM 1149 CA GLU A 75 0.164 12.281 4.681 1.00 0.00 C ATOM 1150 C GLU A 75 0.129 13.366 3.593 1.00 0.00 C ATOM 1151 O GLU A 75 1.143 13.994 3.272 1.00 0.00 O ATOM 1152 CB GLU A 75 0.798 12.779 5.994 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.144 13.655 6.837 1.00 0.00 C ATOM 1154 CD GLU A 75 0.307 15.118 6.907 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.225 15.422 7.706 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -0.277 15.967 6.201 1.00 0.00 O ATOM 0 H GLU A 75 1.913 11.305 4.118 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.868 12.008 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.109 11.919 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.698 13.348 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.148 13.609 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.203 13.249 7.847 1.00 0.00 H new ATOM 1163 N SER A 76 -1.048 13.568 3.009 1.00 0.00 N ATOM 1164 CA SER A 76 -1.299 14.549 1.948 1.00 0.00 C ATOM 1165 C SER A 76 -1.854 15.851 2.537 1.00 0.00 C ATOM 1166 O SER A 76 -2.756 15.827 3.380 1.00 0.00 O ATOM 1167 CB SER A 76 -2.301 13.996 0.923 1.00 0.00 C ATOM 1168 OG SER A 76 -1.780 12.859 0.252 1.00 0.00 O ATOM 0 H SER A 76 -1.882 13.039 3.266 1.00 0.00 H new ATOM 0 HA SER A 76 -0.350 14.751 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.230 13.729 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.544 14.770 0.195 1.00 0.00 H new ATOM 0 HG SER A 76 -2.176 12.797 -0.643 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.329 16.989 2.075 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.688 18.332 2.533 1.00 0.00 C ATOM 1176 C GLY A 77 -3.007 18.860 1.961 1.00 0.00 C ATOM 1177 O GLY A 77 -3.706 18.196 1.194 1.00 0.00 O ATOM 0 H GLY A 77 -0.616 17.000 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.753 18.327 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.887 19.021 2.265 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.340 20.094 2.345 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.640 20.747 2.101 1.00 0.00 C ATOM 1183 C ARG A 78 -4.918 21.188 0.646 1.00 0.00 C ATOM 1184 O ARG A 78 -6.020 21.662 0.361 1.00 0.00 O ATOM 1185 CB ARG A 78 -4.794 21.899 3.111 1.00 0.00 C ATOM 1186 CG ARG A 78 -3.850 23.088 2.842 1.00 0.00 C ATOM 1187 CD ARG A 78 -3.456 23.836 4.121 1.00 0.00 C ATOM 1188 NE ARG A 78 -4.611 24.439 4.811 1.00 0.00 N ATOM 1189 CZ ARG A 78 -4.580 25.032 6.000 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -3.465 25.159 6.691 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -5.689 25.517 6.518 1.00 0.00 N ATOM 0 H ARG A 78 -2.691 20.694 2.854 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.410 19.991 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.825 22.253 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.607 21.518 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.949 22.726 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.334 23.782 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.953 23.146 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.739 24.618 3.872 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.512 24.397 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.589 24.796 6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.479 25.620 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.568 25.437 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.669 25.973 7.430 1.00 0.00 H new ATOM 1205 N ARG A 79 -3.954 21.035 -0.275 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.017 21.495 -1.676 1.00 0.00 C ATOM 1207 C ARG A 79 -3.966 20.316 -2.663 1.00 0.00 C ATOM 1208 O ARG A 79 -3.050 20.183 -3.477 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.914 22.542 -1.929 1.00 0.00 C ATOM 1210 CG ARG A 79 -3.082 23.806 -1.067 1.00 0.00 C ATOM 1211 CD ARG A 79 -4.257 24.712 -1.474 1.00 0.00 C ATOM 1212 NE ARG A 79 -4.040 25.358 -2.784 1.00 0.00 N ATOM 1213 CZ ARG A 79 -3.396 26.499 -3.012 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -2.841 27.201 -2.044 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -3.300 26.957 -4.242 1.00 0.00 N ATOM 0 H ARG A 79 -3.073 20.569 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.978 21.979 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.941 22.095 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.921 22.823 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.216 23.505 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.161 24.386 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.172 24.121 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.402 25.479 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.424 24.879 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.897 26.873 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.355 28.072 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.718 26.437 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.807 27.832 -4.424 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.991 19.464 -2.586 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.229 18.314 -3.475 1.00 0.00 C ATOM 1231 C CYS A 80 -6.721 17.912 -3.511 1.00 0.00 C ATOM 1232 O CYS A 80 -7.521 18.400 -2.709 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.292 17.154 -3.078 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.740 16.497 -1.446 1.00 0.00 S ATOM 0 H CYS A 80 -5.713 19.557 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.989 18.597 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.351 16.361 -3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.259 17.503 -3.064 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.279 17.284 -0.520 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.096 17.029 -4.443 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.493 16.656 -4.737 1.00 0.00 C ATOM 1242 C GLN A 81 -9.244 16.083 -3.521 1.00 0.00 C ATOM 1243 O GLN A 81 -10.426 16.383 -3.335 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.489 15.661 -5.918 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.886 15.202 -6.392 1.00 0.00 C ATOM 1246 CD GLN A 81 -10.258 13.799 -5.902 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -11.062 13.592 -5.001 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.687 12.765 -6.485 1.00 0.00 N ATOM 0 H GLN A 81 -6.422 16.539 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.040 17.561 -5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.970 16.121 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.913 14.782 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.634 15.913 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.917 15.220 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.014 12.911 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.918 11.818 -6.184 1.00 0.00 H new ATOM 1257 N THR A 82 -8.558 15.302 -2.676 1.00 0.00 N ATOM 1258 CA THR A 82 -9.127 14.645 -1.488 1.00 0.00 C ATOM 1259 C THR A 82 -9.106 15.514 -0.231 1.00 0.00 C ATOM 1260 O THR A 82 -9.686 15.124 0.786 1.00 0.00 O ATOM 1261 CB THR A 82 -8.380 13.334 -1.215 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.993 13.590 -1.106 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.593 12.313 -2.331 1.00 0.00 C ATOM 0 H THR A 82 -7.565 15.103 -2.802 1.00 0.00 H new ATOM 0 HA THR A 82 -10.176 14.456 -1.717 1.00 0.00 H new ATOM 0 HB THR A 82 -8.775 12.923 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.627 13.090 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.046 11.399 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.656 12.087 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.229 12.723 -3.273 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.436 16.671 -0.274 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.135 17.493 0.899 1.00 0.00 C ATOM 1273 C GLY A 83 -7.042 16.867 1.776 1.00 0.00 C ATOM 1274 O GLY A 83 -6.447 15.846 1.425 1.00 0.00 O ATOM 0 H GLY A 83 -8.081 17.068 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.816 18.484 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.041 17.627 1.490 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.781 17.480 2.931 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.782 16.989 3.883 1.00 0.00 C ATOM 1280 C GLN A 84 -6.217 15.644 4.498 1.00 0.00 C ATOM 1281 O GLN A 84 -7.352 15.510 4.963 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.526 18.061 4.958 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.345 17.704 5.877 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.060 18.788 6.922 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -3.986 19.976 6.630 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.887 18.433 8.181 1.00 0.00 N ATOM 0 H GLN A 84 -7.256 18.331 3.234 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.845 16.802 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.329 19.017 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.425 18.189 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.556 16.763 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.453 17.546 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.944 17.450 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.696 19.142 8.889 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.318 14.652 4.516 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.602 13.312 5.049 1.00 0.00 C ATOM 1297 C GLY A 85 -4.418 12.345 5.048 1.00 0.00 C ATOM 1298 O GLY A 85 -3.413 12.557 4.367 1.00 0.00 O ATOM 0 H GLY A 85 -4.368 14.756 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.965 13.415 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.411 12.871 4.466 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.564 11.254 5.804 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.615 10.128 5.867 1.00 0.00 C ATOM 1304 C ILE A 86 -4.253 8.922 5.172 1.00 0.00 C ATOM 1305 O ILE A 86 -5.324 8.470 5.589 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.235 9.811 7.335 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.512 11.006 8.001 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.351 8.548 7.399 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.359 10.866 9.523 1.00 0.00 C ATOM 0 H ILE A 86 -5.372 11.121 6.412 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.689 10.387 5.355 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.157 9.627 7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.524 11.116 7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.064 11.920 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.092 8.338 8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.896 7.701 6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.440 8.712 6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.843 11.741 9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.344 10.787 9.982 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.780 9.970 9.750 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.592 8.402 4.136 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.077 7.308 3.290 1.00 0.00 C ATOM 1323 C PHE A 87 -3.140 6.099 3.399 1.00 0.00 C ATOM 1324 O PHE A 87 -1.927 6.241 3.234 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.180 7.800 1.837 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.116 8.980 1.651 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.508 8.769 1.602 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.603 10.288 1.551 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.381 9.858 1.442 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.479 11.379 1.415 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.867 11.164 1.366 1.00 0.00 C ATOM 0 H PHE A 87 -2.673 8.742 3.853 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.065 6.994 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.186 8.079 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.520 6.977 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.905 7.768 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.536 10.453 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.446 9.692 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.085 12.382 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.540 12.003 1.270 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.705 4.914 3.663 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.958 3.707 4.015 1.00 0.00 C ATOM 1343 C ALA A 88 -3.428 2.465 3.245 1.00 0.00 C ATOM 1344 O ALA A 88 -4.630 2.186 3.128 1.00 0.00 O ATOM 1345 CB ALA A 88 -3.073 3.510 5.529 1.00 0.00 C ATOM 0 H ALA A 88 -4.714 4.768 3.636 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.915 3.838 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.524 2.615 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.655 4.376 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.122 3.398 5.803 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.448 1.712 2.739 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.645 0.592 1.821 1.00 0.00 C ATOM 1353 C PHE A 89 -1.809 -0.626 2.224 1.00 0.00 C ATOM 1354 O PHE A 89 -0.655 -0.504 2.633 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.303 1.021 0.386 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.989 2.288 -0.087 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.434 3.549 0.210 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.195 2.210 -0.807 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.092 4.722 -0.193 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.848 3.384 -1.213 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.291 4.639 -0.916 1.00 0.00 C ATOM 0 H PHE A 89 -1.466 1.871 2.965 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.694 0.301 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.225 1.161 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.566 0.209 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.500 3.613 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.619 1.246 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.675 5.687 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.780 3.323 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.786 5.541 -1.245 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.393 -1.812 2.078 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.763 -3.097 2.369 1.00 0.00 C ATOM 1373 C LYS A 90 -1.164 -3.690 1.084 1.00 0.00 C ATOM 1374 O LYS A 90 -1.867 -3.821 0.076 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.826 -4.007 3.006 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.199 -5.130 3.841 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.297 -5.957 4.528 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.739 -6.843 5.652 1.00 0.00 C ATOM 1379 NZ LYS A 90 -1.936 -7.985 5.135 1.00 0.00 N ATOM 0 H LYS A 90 -3.351 -1.909 1.742 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.936 -2.987 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.483 -3.409 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.447 -4.442 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.595 -5.774 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.530 -4.706 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.052 -5.286 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.795 -6.583 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.119 -6.237 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.565 -7.226 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.583 -8.551 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.532 -8.581 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.131 -7.623 4.585 1.00 0.00 H new ATOM 1393 N CYS A 91 0.127 -4.032 1.113 1.00 0.00 N ATOM 1394 CA CYS A 91 0.905 -4.514 -0.036 1.00 0.00 C ATOM 1395 C CYS A 91 2.286 -5.041 0.394 1.00 0.00 C ATOM 1396 O CYS A 91 3.034 -4.357 1.093 1.00 0.00 O ATOM 1397 CB CYS A 91 1.021 -3.395 -1.099 1.00 0.00 C ATOM 1398 SG CYS A 91 1.670 -1.852 -0.384 1.00 0.00 S ATOM 0 H CYS A 91 0.681 -3.980 1.968 1.00 0.00 H new ATOM 0 HA CYS A 91 0.378 -5.358 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.675 -3.726 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.042 -3.208 -1.539 1.00 0.00 H new ATOM 0 HG CYS A 91 1.555 -0.890 -1.251 1.00 0.00 H new ATOM 1404 N SER A 92 2.662 -6.237 -0.060 1.00 0.00 N ATOM 1405 CA SER A 92 3.928 -6.911 0.303 1.00 0.00 C ATOM 1406 C SER A 92 5.194 -6.218 -0.243 1.00 0.00 C ATOM 1407 O SER A 92 6.309 -6.510 0.196 1.00 0.00 O ATOM 1408 CB SER A 92 3.895 -8.361 -0.203 1.00 0.00 C ATOM 1409 OG SER A 92 2.628 -8.973 0.044 1.00 0.00 O ATOM 0 H SER A 92 2.090 -6.783 -0.704 1.00 0.00 H new ATOM 0 HA SER A 92 3.994 -6.865 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.107 -8.379 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.680 -8.937 0.287 1.00 0.00 H new ATOM 0 HG SER A 92 2.639 -9.894 -0.291 1.00 0.00 H new ATOM 1415 N ARG A 93 5.016 -5.284 -1.188 1.00 0.00 N ATOM 1416 CA ARG A 93 6.057 -4.512 -1.888 1.00 0.00 C ATOM 1417 C ARG A 93 6.095 -3.030 -1.475 1.00 0.00 C ATOM 1418 O ARG A 93 6.697 -2.208 -2.165 1.00 0.00 O ATOM 1419 CB ARG A 93 5.946 -4.744 -3.413 1.00 0.00 C ATOM 1420 CG ARG A 93 4.538 -4.563 -4.018 1.00 0.00 C ATOM 1421 CD ARG A 93 4.438 -5.156 -5.439 1.00 0.00 C ATOM 1422 NE ARG A 93 4.617 -6.617 -5.463 1.00 0.00 N ATOM 1423 CZ ARG A 93 3.783 -7.546 -5.006 1.00 0.00 C ATOM 1424 NH1 ARG A 93 2.586 -7.254 -4.540 1.00 0.00 N ATOM 1425 NH2 ARG A 93 4.157 -8.805 -5.005 1.00 0.00 N ATOM 0 H ARG A 93 4.081 -5.030 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 93 7.032 -4.886 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.628 -4.059 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.289 -5.755 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.802 -5.042 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.291 -3.502 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.466 -4.907 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.192 -4.692 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 93 5.484 -6.957 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.269 -6.285 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.976 -7.997 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.080 -9.063 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.524 -9.525 -4.656 1.00 0.00 H new ATOM 1439 N ALA A 94 5.501 -2.679 -0.327 1.00 0.00 N ATOM 1440 CA ALA A 94 5.482 -1.322 0.242 1.00 0.00 C ATOM 1441 C ALA A 94 6.860 -0.633 0.306 1.00 0.00 C ATOM 1442 O ALA A 94 6.947 0.568 0.056 1.00 0.00 O ATOM 1443 CB ALA A 94 4.894 -1.427 1.651 1.00 0.00 C ATOM 0 H ALA A 94 5.003 -3.354 0.253 1.00 0.00 H new ATOM 0 HA ALA A 94 4.882 -0.697 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.863 -0.438 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.884 -1.832 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.516 -2.087 2.256 1.00 0.00 H new ATOM 1449 N GLU A 95 7.930 -1.387 0.579 1.00 0.00 N ATOM 1450 CA GLU A 95 9.307 -0.875 0.607 1.00 0.00 C ATOM 1451 C GLU A 95 9.762 -0.342 -0.762 1.00 0.00 C ATOM 1452 O GLU A 95 10.453 0.675 -0.828 1.00 0.00 O ATOM 1453 CB GLU A 95 10.246 -1.988 1.102 1.00 0.00 C ATOM 1454 CG GLU A 95 11.686 -1.501 1.308 1.00 0.00 C ATOM 1455 CD GLU A 95 12.530 -2.557 2.038 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.954 -3.544 1.393 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.778 -2.402 3.258 1.00 0.00 O ATOM 0 H GLU A 95 7.865 -2.383 0.790 1.00 0.00 H new ATOM 0 HA GLU A 95 9.343 -0.028 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.865 -2.388 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.243 -2.807 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.138 -1.274 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.681 -0.575 1.883 1.00 0.00 H new ATOM 1464 N GLU A 96 9.341 -0.981 -1.860 1.00 0.00 N ATOM 1465 CA GLU A 96 9.658 -0.528 -3.217 1.00 0.00 C ATOM 1466 C GLU A 96 8.888 0.752 -3.568 1.00 0.00 C ATOM 1467 O GLU A 96 9.441 1.628 -4.232 1.00 0.00 O ATOM 1468 CB GLU A 96 9.364 -1.634 -4.246 1.00 0.00 C ATOM 1469 CG GLU A 96 10.246 -2.870 -4.044 1.00 0.00 C ATOM 1470 CD GLU A 96 10.085 -3.855 -5.208 1.00 0.00 C ATOM 1471 OE1 GLU A 96 10.844 -3.748 -6.200 1.00 0.00 O ATOM 1472 OE2 GLU A 96 9.212 -4.751 -5.130 1.00 0.00 O ATOM 0 H GLU A 96 8.771 -1.826 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 96 10.724 -0.301 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.316 -1.924 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.518 -1.241 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.290 -2.567 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.981 -3.361 -3.108 1.00 0.00 H new ATOM 1479 N ILE A 97 7.651 0.905 -3.075 1.00 0.00 N ATOM 1480 CA ILE A 97 6.862 2.139 -3.243 1.00 0.00 C ATOM 1481 C ILE A 97 7.505 3.292 -2.461 1.00 0.00 C ATOM 1482 O ILE A 97 7.720 4.366 -3.022 1.00 0.00 O ATOM 1483 CB ILE A 97 5.378 1.943 -2.835 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.757 0.646 -3.404 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.575 3.164 -3.323 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.299 0.396 -2.991 1.00 0.00 C ATOM 0 H ILE A 97 7.167 0.178 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 97 6.865 2.392 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 97 5.339 1.851 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.811 0.681 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.362 -0.202 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.528 3.045 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.972 4.068 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.656 3.243 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.949 -0.535 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.236 0.325 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.676 1.221 -3.337 1.00 0.00 H new ATOM 1498 N PHE A 98 7.871 3.063 -1.194 1.00 0.00 N ATOM 1499 CA PHE A 98 8.536 4.042 -0.337 1.00 0.00 C ATOM 1500 C PHE A 98 9.900 4.488 -0.889 1.00 0.00 C ATOM 1501 O PHE A 98 10.193 5.686 -0.910 1.00 0.00 O ATOM 1502 CB PHE A 98 8.654 3.411 1.055 1.00 0.00 C ATOM 1503 CG PHE A 98 9.466 4.202 2.058 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.869 5.231 2.813 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.821 3.878 2.264 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.624 5.923 3.777 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.572 4.568 3.231 1.00 0.00 C ATOM 1508 CZ PHE A 98 10.973 5.587 3.989 1.00 0.00 C ATOM 0 H PHE A 98 7.708 2.170 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 98 7.947 4.958 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.651 3.268 1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.100 2.422 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.833 5.488 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.284 3.098 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.167 6.713 4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.610 4.315 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.549 6.113 4.736 1.00 0.00 H new ATOM 1518 N ASN A 99 10.719 3.553 -1.384 1.00 0.00 N ATOM 1519 CA ASN A 99 12.004 3.869 -2.010 1.00 0.00 C ATOM 1520 C ASN A 99 11.819 4.639 -3.326 1.00 0.00 C ATOM 1521 O ASN A 99 12.470 5.665 -3.524 1.00 0.00 O ATOM 1522 CB ASN A 99 12.816 2.583 -2.237 1.00 0.00 C ATOM 1523 CG ASN A 99 13.373 1.964 -0.955 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.486 2.598 0.089 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.775 0.707 -1.012 1.00 0.00 N ATOM 0 H ASN A 99 10.507 2.555 -1.361 1.00 0.00 H new ATOM 0 HA ASN A 99 12.558 4.517 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.183 1.850 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.644 2.803 -2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.180 0.263 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.681 0.180 -1.880 1.00 0.00 H new ATOM 1532 N LEU A 100 10.894 4.210 -4.196 1.00 0.00 N ATOM 1533 CA LEU A 100 10.618 4.889 -5.464 1.00 0.00 C ATOM 1534 C LEU A 100 10.087 6.308 -5.234 1.00 0.00 C ATOM 1535 O LEU A 100 10.528 7.226 -5.920 1.00 0.00 O ATOM 1536 CB LEU A 100 9.640 4.037 -6.288 1.00 0.00 C ATOM 1537 CG LEU A 100 9.262 4.653 -7.647 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.469 4.783 -8.590 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.193 3.778 -8.300 1.00 0.00 C ATOM 0 H LEU A 100 10.318 3.383 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 100 11.547 4.997 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.083 3.055 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.731 3.881 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 100 8.886 5.660 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.147 5.223 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.223 5.422 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.894 3.796 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.915 4.202 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.586 2.772 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.315 3.735 -7.656 1.00 0.00 H new ATOM 1551 N LEU A 101 9.206 6.507 -4.248 1.00 0.00 N ATOM 1552 CA LEU A 101 8.686 7.827 -3.890 1.00 0.00 C ATOM 1553 C LEU A 101 9.817 8.806 -3.558 1.00 0.00 C ATOM 1554 O LEU A 101 9.891 9.871 -4.168 1.00 0.00 O ATOM 1555 CB LEU A 101 7.685 7.684 -2.725 1.00 0.00 C ATOM 1556 CG LEU A 101 6.984 9.004 -2.345 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.102 9.514 -3.492 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.116 8.809 -1.099 1.00 0.00 C ATOM 0 H LEU A 101 8.833 5.751 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 101 8.161 8.247 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.929 6.946 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.210 7.297 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 101 7.761 9.740 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.621 10.446 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.718 9.689 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.340 8.770 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.628 9.750 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.359 8.050 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.742 8.488 -0.266 1.00 0.00 H new ATOM 1570 N GLN A 102 10.720 8.441 -2.641 1.00 0.00 N ATOM 1571 CA GLN A 102 11.832 9.322 -2.279 1.00 0.00 C ATOM 1572 C GLN A 102 12.858 9.482 -3.413 1.00 0.00 C ATOM 1573 O GLN A 102 13.418 10.564 -3.571 1.00 0.00 O ATOM 1574 CB GLN A 102 12.477 8.886 -0.956 1.00 0.00 C ATOM 1575 CG GLN A 102 13.196 7.533 -0.967 1.00 0.00 C ATOM 1576 CD GLN A 102 13.835 7.226 0.386 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.759 7.892 0.838 1.00 0.00 O ATOM 1578 NE2 GLN A 102 13.367 6.224 1.099 1.00 0.00 N ATOM 0 H GLN A 102 10.703 7.552 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 102 11.415 10.317 -2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.192 9.651 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.702 8.856 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.487 6.745 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.964 7.534 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.598 5.658 0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.773 6.013 2.011 1.00 0.00 H new ATOM 1587 N ASP A 103 13.062 8.456 -4.247 1.00 0.00 N ATOM 1588 CA ASP A 103 13.972 8.504 -5.398 1.00 0.00 C ATOM 1589 C ASP A 103 13.489 9.450 -6.505 1.00 0.00 C ATOM 1590 O ASP A 103 14.296 10.192 -7.069 1.00 0.00 O ATOM 1591 CB ASP A 103 14.216 7.089 -5.952 1.00 0.00 C ATOM 1592 CG ASP A 103 15.215 6.265 -5.120 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.095 6.867 -4.458 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.153 5.013 -5.183 1.00 0.00 O ATOM 0 H ASP A 103 12.593 7.556 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 103 14.916 8.912 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.266 6.556 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.585 7.167 -6.975 1.00 0.00 H new ATOM 1599 N LEU A 104 12.180 9.489 -6.772 1.00 0.00 N ATOM 1600 CA LEU A 104 11.566 10.438 -7.708 1.00 0.00 C ATOM 1601 C LEU A 104 11.544 11.873 -7.154 1.00 0.00 C ATOM 1602 O LEU A 104 11.529 12.825 -7.934 1.00 0.00 O ATOM 1603 CB LEU A 104 10.143 9.960 -8.057 1.00 0.00 C ATOM 1604 CG LEU A 104 10.097 8.644 -8.861 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.664 8.105 -8.877 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.590 8.822 -10.305 1.00 0.00 C ATOM 0 H LEU A 104 11.508 8.855 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 104 12.174 10.466 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.579 9.828 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.640 10.740 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 104 10.767 7.938 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.631 7.175 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.334 7.918 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.005 8.838 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.538 7.867 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.961 9.551 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.621 9.175 -10.296 1.00 0.00 H new ATOM 1618 N MET A 105 11.593 12.036 -5.827 1.00 0.00 N ATOM 1619 CA MET A 105 11.633 13.343 -5.157 1.00 0.00 C ATOM 1620 C MET A 105 13.061 13.898 -5.023 1.00 0.00 C ATOM 1621 O MET A 105 13.240 15.110 -5.149 1.00 0.00 O ATOM 1622 CB MET A 105 10.912 13.258 -3.800 1.00 0.00 C ATOM 1623 CG MET A 105 9.405 13.053 -4.016 1.00 0.00 C ATOM 1624 SD MET A 105 8.429 12.638 -2.544 1.00 0.00 S ATOM 1625 CE MET A 105 8.374 14.244 -1.718 1.00 0.00 C ATOM 0 H MET A 105 11.606 11.250 -5.176 1.00 0.00 H new ATOM 0 HA MET A 105 11.103 14.058 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.319 12.434 -3.214 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.085 14.171 -3.230 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.995 13.964 -4.452 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.270 12.259 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.475 14.307 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.254 14.358 -1.085 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.359 15.037 -2.465 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.369 5.329 2.949 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.556 5.647 4.365 1.00 0.00 C ATOM 2021 C PHE A 136 -9.390 6.506 4.883 1.00 0.00 C ATOM 2022 O PHE A 136 -8.235 6.071 4.877 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.704 4.330 5.141 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.126 4.485 6.590 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.181 4.825 7.578 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.469 4.271 6.956 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.579 4.958 8.920 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.864 4.397 8.300 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.920 4.742 9.282 1.00 0.00 C ATOM 0 HA PHE A 136 -11.460 6.238 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.436 3.705 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.753 3.798 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -9.148 4.984 7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -13.197 4.009 6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.853 5.226 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.894 4.228 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.224 4.841 10.313 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.700 7.724 5.343 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.740 8.665 5.934 1.00 0.00 C ATOM 2041 C ARG A 137 -8.509 8.351 7.418 1.00 0.00 C ATOM 2042 O ARG A 137 -9.459 8.344 8.206 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.266 10.096 5.748 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.152 10.531 4.278 1.00 0.00 C ATOM 2045 CD ARG A 137 -9.941 11.807 3.976 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.389 11.549 3.874 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.318 12.421 3.496 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -12.020 13.660 3.162 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.578 12.048 3.445 1.00 0.00 N ATOM 0 H ARG A 137 -10.651 8.092 5.314 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.779 8.567 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.306 10.151 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.701 10.781 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.102 10.691 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.511 9.726 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.758 12.541 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -9.584 12.242 3.043 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.708 10.611 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.051 13.976 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.759 14.303 2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.838 11.094 3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.295 12.713 3.156 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.256 8.103 7.808 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.874 7.789 9.193 1.00 0.00 C ATOM 2065 C LEU A 138 -6.693 9.058 10.047 1.00 0.00 C ATOM 2066 O LEU A 138 -6.241 10.093 9.553 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.578 6.952 9.204 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.650 5.574 8.517 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.265 4.918 8.567 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.656 4.641 9.199 1.00 0.00 C ATOM 0 H LEU A 138 -6.465 8.114 7.164 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.686 7.213 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.791 7.533 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.276 6.802 10.241 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.977 5.733 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.307 3.942 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.544 5.550 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.958 4.795 9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.672 3.682 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.363 4.487 10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.649 5.089 9.165 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.998 8.948 11.348 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.737 9.984 12.367 1.00 0.00 C ATOM 2084 C ARG A 139 -5.289 9.981 12.888 1.00 0.00 C ATOM 2085 O ARG A 139 -4.792 11.014 13.336 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.703 9.788 13.548 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.104 10.369 13.283 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.165 11.905 13.312 1.00 0.00 C ATOM 2089 NE ARG A 139 -8.874 12.442 14.656 1.00 0.00 N ATOM 2090 CZ ARG A 139 -8.637 13.712 14.969 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -8.649 14.671 14.065 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -8.382 14.039 16.217 1.00 0.00 N ATOM 0 H ARG A 139 -7.445 8.116 11.734 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.895 10.948 11.884 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.792 8.723 13.764 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.282 10.259 14.436 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.451 10.021 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.795 9.975 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.450 12.310 12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.154 12.235 12.996 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.853 11.770 15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.845 14.449 13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.463 15.635 14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.367 13.319 16.940 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.199 15.012 16.462 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.613 8.834 12.812 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.232 8.606 13.264 1.00 0.00 C ATOM 2108 C HIS A 140 -2.427 7.772 12.249 1.00 0.00 C ATOM 2109 O HIS A 140 -2.979 6.932 11.533 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.259 7.924 14.642 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.650 8.848 15.765 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.784 9.737 16.405 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.884 8.939 16.338 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.523 10.345 17.348 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.788 9.887 17.332 1.00 0.00 N ATOM 0 H HIS A 140 -5.032 7.993 12.414 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.728 9.569 13.345 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.958 7.088 14.611 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -2.274 7.508 14.851 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.765 8.377 16.065 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.152 11.099 18.027 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.543 10.189 17.948 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.114 8.012 12.176 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.232 7.420 11.170 1.00 0.00 C ATOM 2125 C PHE A 141 0.133 5.953 11.526 1.00 0.00 C ATOM 2126 O PHE A 141 0.555 5.709 12.662 1.00 0.00 O ATOM 2127 CB PHE A 141 1.002 8.322 11.027 1.00 0.00 C ATOM 2128 CG PHE A 141 1.719 8.156 9.706 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.159 8.711 8.540 1.00 0.00 C ATOM 2130 CD2 PHE A 141 2.947 7.475 9.636 1.00 0.00 C ATOM 2131 CE1 PHE A 141 1.811 8.569 7.305 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.609 7.348 8.403 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.036 7.885 7.238 1.00 0.00 C ATOM 0 H PHE A 141 -0.629 8.632 12.824 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.741 7.364 10.208 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.697 9.363 11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.697 8.106 11.838 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.224 9.248 8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.381 7.050 10.529 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.372 8.984 6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.559 6.837 8.351 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.539 7.772 6.289 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.032 4.976 10.606 1.00 0.00 N ATOM 2144 CA PRO A 142 0.077 3.547 10.915 1.00 0.00 C ATOM 2145 C PRO A 142 1.508 2.986 10.840 1.00 0.00 C ATOM 2146 O PRO A 142 1.774 1.944 11.439 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.829 2.858 9.891 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.668 3.743 8.660 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.558 5.146 9.258 1.00 0.00 C ATOM 0 HA PRO A 142 -0.217 3.369 11.949 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.516 1.832 9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.865 2.817 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.220 3.478 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.521 3.657 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.102 5.773 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.531 5.637 9.279 1.00 0.00 H new ATOM 2157 N CYS A 143 2.427 3.648 10.125 1.00 0.00 N ATOM 2158 CA CYS A 143 3.795 3.166 9.890 1.00 0.00 C ATOM 2159 C CYS A 143 4.794 3.748 10.903 1.00 0.00 C ATOM 2160 O CYS A 143 4.723 4.931 11.244 1.00 0.00 O ATOM 2161 CB CYS A 143 4.211 3.538 8.459 1.00 0.00 C ATOM 2162 SG CYS A 143 3.135 2.723 7.250 1.00 0.00 S ATOM 0 H CYS A 143 2.238 4.549 9.686 1.00 0.00 H new ATOM 0 HA CYS A 143 3.807 2.084 10.019 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.160 4.619 8.329 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.247 3.245 8.288 1.00 0.00 H new ATOM 0 HG CYS A 143 3.421 3.152 6.056 1.00 0.00 H new ATOM 2168 N GLY A 144 5.775 2.944 11.328 1.00 0.00 N ATOM 2169 CA GLY A 144 6.868 3.404 12.198 1.00 0.00 C ATOM 2170 C GLY A 144 7.933 4.212 11.448 1.00 0.00 C ATOM 2171 O GLY A 144 8.462 5.191 11.976 1.00 0.00 O ATOM 0 H GLY A 144 5.835 1.956 11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.454 4.016 12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.339 2.540 12.667 1.00 0.00 H new ATOM 2175 N ASN A 145 8.236 3.840 10.200 1.00 0.00 N ATOM 2176 CA ASN A 145 9.345 4.408 9.422 1.00 0.00 C ATOM 2177 C ASN A 145 8.942 5.686 8.659 1.00 0.00 C ATOM 2178 O ASN A 145 8.880 5.708 7.431 1.00 0.00 O ATOM 2179 CB ASN A 145 9.924 3.346 8.481 1.00 0.00 C ATOM 2180 CG ASN A 145 10.359 2.079 9.208 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.338 2.065 9.945 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.636 0.987 9.032 1.00 0.00 N ATOM 0 H ASN A 145 7.712 3.126 9.694 1.00 0.00 H new ATOM 0 HA ASN A 145 10.120 4.713 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.178 3.089 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.779 3.766 7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.891 0.124 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.823 1.008 8.417 1.00 0.00 H new ATOM 2189 N VAL A 146 8.657 6.753 9.404 1.00 0.00 N ATOM 2190 CA VAL A 146 8.333 8.090 8.865 1.00 0.00 C ATOM 2191 C VAL A 146 9.575 8.735 8.233 1.00 0.00 C ATOM 2192 O VAL A 146 10.666 8.719 8.802 1.00 0.00 O ATOM 2193 CB VAL A 146 7.713 9.018 9.941 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.644 10.502 9.529 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.279 8.566 10.247 1.00 0.00 C ATOM 0 H VAL A 146 8.642 6.720 10.423 1.00 0.00 H new ATOM 0 HA VAL A 146 7.580 7.954 8.089 1.00 0.00 H new ATOM 0 HB VAL A 146 8.371 8.939 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.198 11.083 10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.650 10.871 9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.035 10.602 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 146 5.845 9.220 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.680 8.616 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.292 7.541 10.617 1.00 0.00 H new ATOM 2205 N ASN A 147 9.367 9.333 7.062 1.00 0.00 N ATOM 2206 CA ASN A 147 10.341 10.063 6.253 1.00 0.00 C ATOM 2207 C ASN A 147 9.688 11.329 5.658 1.00 0.00 C ATOM 2208 O ASN A 147 8.471 11.389 5.471 1.00 0.00 O ATOM 2209 CB ASN A 147 10.866 9.111 5.163 1.00 0.00 C ATOM 2210 CG ASN A 147 12.098 9.616 4.415 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.775 10.553 4.822 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.439 8.982 3.306 1.00 0.00 N ATOM 0 H ASN A 147 8.447 9.319 6.622 1.00 0.00 H new ATOM 0 HA ASN A 147 11.182 10.398 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.104 8.151 5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.069 8.931 4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.268 9.272 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 147 11.874 8.202 2.970 1.00 0.00 H new ATOM 2219 N TYR A 148 10.493 12.355 5.385 1.00 0.00 N ATOM 2220 CA TYR A 148 10.052 13.675 4.912 1.00 0.00 C ATOM 2221 C TYR A 148 10.440 13.922 3.443 1.00 0.00 C ATOM 2222 O TYR A 148 11.446 13.398 2.955 1.00 0.00 O ATOM 2223 CB TYR A 148 10.624 14.761 5.840 1.00 0.00 C ATOM 2224 CG TYR A 148 9.830 14.967 7.120 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.827 13.985 8.131 1.00 0.00 C ATOM 2226 CD2 TYR A 148 9.077 16.147 7.296 1.00 0.00 C ATOM 2227 CE1 TYR A 148 9.065 14.171 9.301 1.00 0.00 C ATOM 2228 CE2 TYR A 148 8.325 16.347 8.469 1.00 0.00 C ATOM 2229 CZ TYR A 148 8.312 15.355 9.474 1.00 0.00 C ATOM 2230 OH TYR A 148 7.579 15.535 10.608 1.00 0.00 O ATOM 0 H TYR A 148 11.506 12.292 5.489 1.00 0.00 H new ATOM 0 HA TYR A 148 8.963 13.712 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.649 14.498 6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.665 15.704 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 148 10.412 13.085 8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 148 9.078 16.903 6.525 1.00 0.00 H new ATOM 0 HE1 TYR A 148 9.056 13.409 10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 148 7.759 17.257 8.600 1.00 0.00 H new ATOM 0 HH TYR A 148 7.122 16.401 10.568 1.00 0.00 H new