USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 99 ASN : amide:sc= -0.424 X(o=-1.1,f=-1.2) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.709 K(o=-1.1,f=-2.2!) USER MOD Set 2.1: A 76 SER OG : rot -69:sc= 0.854 USER MOD Set 2.2: A 80 CYS SG : rot -97:sc= -2.18! USER MOD Set 2.3: A 82 THR OG1 : rot 170:sc= 0.954 USER MOD Set 3.1: A 65 TYR OH : rot 180:sc= -1.69 USER MOD Set 3.2: A 147 ASN : amide:sc= 0.361 K(o=-1.3,f=-6.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.58) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 147:sc= -0.43 (180deg=-1.15) USER MOD Single : A 41 THR OG1 : rot -10:sc= 0.641 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.148 K(o=0.15,f=-1.9) USER MOD Single : A 59 TYR OH : rot 166:sc= 1.01 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.14 K(o=-0.14,f=-4.5!) USER MOD Single : A 73 SER OG : rot 24:sc= 0.562 USER MOD Single : A 81 GLN : amide:sc= -0.929 X(o=-0.93,f=-1.2) USER MOD Single : A 84 GLN :FLIP amide:sc= 0.0303 F(o=-3!,f=0.03) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0462 (180deg=-0.339) USER MOD Single : A 91 CYS SG : rot -130:sc= -3.66! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -168:sc= -0.324 (180deg=-0.824) USER MOD Single : A 106 GLN : amide:sc= -0.999 K(o=-1,f=-3.4!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 143 CYS SG : rot 180:sc= 0.0562 USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 10.816 -5.770 -4.205 1.00 0.00 N ATOM 235 CA THR A 19 9.424 -5.679 -4.624 1.00 0.00 C ATOM 236 C THR A 19 8.545 -6.634 -3.824 1.00 0.00 C ATOM 237 O THR A 19 7.612 -6.211 -3.141 1.00 0.00 O ATOM 238 CB THR A 19 9.266 -5.990 -6.125 1.00 0.00 C ATOM 239 OG1 THR A 19 9.820 -7.278 -6.418 1.00 0.00 O ATOM 240 CG2 THR A 19 9.956 -4.931 -6.972 1.00 0.00 C ATOM 0 HA THR A 19 9.105 -4.653 -4.438 1.00 0.00 H new ATOM 0 HB THR A 19 8.203 -5.988 -6.365 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.715 -7.470 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.831 -5.171 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.514 -3.956 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.018 -4.906 -6.729 1.00 0.00 H new ATOM 248 N LYS A 20 8.850 -7.924 -3.912 1.00 0.00 N ATOM 249 CA LYS A 20 8.089 -8.941 -3.195 1.00 0.00 C ATOM 250 C LYS A 20 7.890 -8.543 -1.735 1.00 0.00 C ATOM 251 O LYS A 20 8.856 -8.295 -1.012 1.00 0.00 O ATOM 252 CB LYS A 20 8.804 -10.292 -3.273 1.00 0.00 C ATOM 253 CG LYS A 20 7.865 -11.482 -3.186 1.00 0.00 C ATOM 254 CD LYS A 20 8.540 -12.760 -3.656 1.00 0.00 C ATOM 255 CE LYS A 20 8.627 -12.819 -5.173 1.00 0.00 C ATOM 256 NZ LYS A 20 7.398 -13.405 -5.777 1.00 0.00 N ATOM 0 H LYS A 20 9.619 -8.290 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 20 7.110 -9.027 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.360 -10.346 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.533 -10.355 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.527 -11.605 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.979 -11.293 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.542 -12.821 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.984 -13.623 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.782 -11.815 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.493 -13.413 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.497 -13.428 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.264 -14.373 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.574 -12.824 -5.521 1.00 0.00 H new ATOM 270 N PHE A 21 6.633 -8.485 -1.309 1.00 0.00 N ATOM 271 CA PHE A 21 6.308 -8.118 0.065 1.00 0.00 C ATOM 272 C PHE A 21 5.193 -9.002 0.615 1.00 0.00 C ATOM 273 O PHE A 21 4.569 -9.765 -0.123 1.00 0.00 O ATOM 274 CB PHE A 21 5.892 -6.647 0.137 1.00 0.00 C ATOM 275 CG PHE A 21 7.051 -5.693 0.090 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.972 -5.649 1.123 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.218 -4.839 -0.989 1.00 0.00 C ATOM 278 CE1 PHE A 21 9.040 -4.772 1.083 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.284 -3.961 -1.035 1.00 0.00 C ATOM 280 CZ PHE A 21 9.195 -3.926 0.002 1.00 0.00 C ATOM 0 H PHE A 21 5.823 -8.687 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 21 7.199 -8.267 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.217 -6.428 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.332 -6.481 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.855 -6.308 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.508 -4.860 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.752 -4.748 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.405 -3.302 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.027 -3.238 -0.032 1.00 0.00 H new ATOM 290 N LYS A 22 4.948 -8.894 1.916 1.00 0.00 N ATOM 291 CA LYS A 22 3.908 -9.681 2.567 1.00 0.00 C ATOM 292 C LYS A 22 2.827 -8.778 3.152 1.00 0.00 C ATOM 293 O LYS A 22 3.111 -7.901 3.969 1.00 0.00 O ATOM 294 CB LYS A 22 4.513 -10.550 3.672 1.00 0.00 C ATOM 295 CG LYS A 22 5.546 -11.543 3.167 1.00 0.00 C ATOM 296 CD LYS A 22 4.912 -12.611 2.292 1.00 0.00 C ATOM 297 CE LYS A 22 5.664 -13.930 2.389 1.00 0.00 C ATOM 298 NZ LYS A 22 5.149 -14.781 3.498 1.00 0.00 N ATOM 0 H LYS A 22 5.456 -8.268 2.541 1.00 0.00 H new ATOM 0 HA LYS A 22 3.452 -10.325 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.976 -9.904 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.713 -11.094 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.313 -11.015 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.044 -12.014 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.875 -12.760 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.899 -12.274 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.575 -14.469 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.725 -13.733 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.687 -15.671 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.257 -14.277 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.143 -14.990 3.337 1.00 0.00 H new ATOM 312 N VAL A 23 1.586 -8.997 2.730 1.00 0.00 N ATOM 313 CA VAL A 23 0.462 -8.205 3.214 1.00 0.00 C ATOM 314 C VAL A 23 -0.763 -9.079 3.459 1.00 0.00 C ATOM 315 O VAL A 23 -0.810 -10.234 3.034 1.00 0.00 O ATOM 316 CB VAL A 23 0.092 -7.089 2.219 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.290 -6.190 1.955 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.433 -7.685 0.922 1.00 0.00 C ATOM 0 H VAL A 23 1.333 -9.717 2.053 1.00 0.00 H new ATOM 0 HA VAL A 23 0.776 -7.754 4.155 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.698 -6.481 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.009 -5.408 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.617 -5.735 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.104 -6.782 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.690 -6.882 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.334 -8.317 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.320 -8.283 1.129 1.00 0.00 H new ATOM 328 N THR A 24 -1.755 -8.521 4.145 1.00 0.00 N ATOM 329 CA THR A 24 -2.980 -9.249 4.447 1.00 0.00 C ATOM 330 C THR A 24 -4.211 -8.390 4.179 1.00 0.00 C ATOM 331 O THR A 24 -4.341 -7.291 4.715 1.00 0.00 O ATOM 332 CB THR A 24 -3.007 -9.720 5.914 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.835 -10.491 6.202 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.249 -10.553 6.192 1.00 0.00 C ATOM 0 H THR A 24 -1.734 -7.566 4.502 1.00 0.00 H new ATOM 0 HA THR A 24 -2.999 -10.120 3.793 1.00 0.00 H new ATOM 0 HB THR A 24 -3.029 -8.839 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.859 -10.785 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.246 -10.874 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.139 -9.954 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.253 -11.428 5.542 1.00 0.00 H new ATOM 342 N ASN A 25 -5.112 -8.900 3.345 1.00 0.00 N ATOM 343 CA ASN A 25 -6.333 -8.179 3.006 1.00 0.00 C ATOM 344 C ASN A 25 -7.222 -8.005 4.234 1.00 0.00 C ATOM 345 O ASN A 25 -7.708 -8.981 4.805 1.00 0.00 O ATOM 346 CB ASN A 25 -7.100 -8.920 1.909 1.00 0.00 C ATOM 347 CG ASN A 25 -8.389 -8.217 1.528 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.464 -8.815 1.546 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.285 -6.940 1.180 1.00 0.00 N ATOM 0 H ASN A 25 -5.019 -9.809 2.892 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.052 -7.191 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.467 -9.014 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.327 -9.931 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.118 -6.415 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.372 -6.484 1.179 1.00 0.00 H new ATOM 356 N VAL A 26 -7.429 -6.754 4.635 1.00 0.00 N ATOM 357 CA VAL A 26 -8.260 -6.451 5.794 1.00 0.00 C ATOM 358 C VAL A 26 -9.237 -5.321 5.490 1.00 0.00 C ATOM 359 O VAL A 26 -9.208 -4.737 4.406 1.00 0.00 O ATOM 360 CB VAL A 26 -7.403 -6.060 7.013 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.231 -7.017 7.171 1.00 0.00 C ATOM 362 CG2 VAL A 26 -6.916 -4.625 6.882 1.00 0.00 C ATOM 0 H VAL A 26 -7.033 -5.935 4.174 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.819 -7.357 6.028 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.021 -6.130 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.637 -6.725 8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.606 -8.031 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.609 -6.982 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.312 -4.365 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.314 -4.526 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.773 -3.954 6.822 1.00 0.00 H new ATOM 372 N ASP A 27 -10.100 -5.017 6.453 1.00 0.00 N ATOM 373 CA ASP A 27 -11.085 -3.954 6.289 1.00 0.00 C ATOM 374 C ASP A 27 -10.641 -2.685 7.010 1.00 0.00 C ATOM 375 O ASP A 27 -9.564 -2.642 7.605 1.00 0.00 O ATOM 376 CB ASP A 27 -12.447 -4.407 6.819 1.00 0.00 C ATOM 377 CG ASP A 27 -12.767 -5.840 6.443 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.377 -6.264 5.335 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.409 -6.538 7.256 1.00 0.00 O ATOM 0 H ASP A 27 -10.138 -5.491 7.355 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.172 -3.733 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.463 -4.307 7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.223 -3.750 6.427 1.00 0.00 H new ATOM 384 N ASP A 28 -11.476 -1.654 6.950 1.00 0.00 N ATOM 385 CA ASP A 28 -11.170 -0.384 7.597 1.00 0.00 C ATOM 386 C ASP A 28 -10.772 -0.598 9.054 1.00 0.00 C ATOM 387 O ASP A 28 -10.007 0.183 9.619 1.00 0.00 O ATOM 388 CB ASP A 28 -12.374 0.557 7.517 1.00 0.00 C ATOM 389 CG ASP A 28 -13.321 0.386 8.689 1.00 0.00 C ATOM 390 OD1 ASP A 28 -13.877 -0.721 8.846 1.00 0.00 O ATOM 391 OD2 ASP A 28 -13.504 1.359 9.449 1.00 0.00 O ATOM 0 H ASP A 28 -12.370 -1.673 6.460 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.329 0.069 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.024 1.589 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.914 0.374 6.588 1.00 0.00 H new ATOM 396 N GLU A 29 -11.297 -1.660 9.656 1.00 0.00 N ATOM 397 CA GLU A 29 -10.997 -1.975 11.048 1.00 0.00 C ATOM 398 C GLU A 29 -9.668 -2.717 11.164 1.00 0.00 C ATOM 399 O GLU A 29 -8.857 -2.424 12.040 1.00 0.00 O ATOM 400 CB GLU A 29 -12.119 -2.819 11.656 1.00 0.00 C ATOM 401 CG GLU A 29 -13.361 -2.017 12.009 1.00 0.00 C ATOM 402 CD GLU A 29 -14.324 -2.790 12.888 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.863 -3.680 13.633 1.00 0.00 O ATOM 404 OE2 GLU A 29 -15.539 -2.505 12.832 1.00 0.00 O ATOM 0 H GLU A 29 -11.932 -2.317 9.202 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.919 -1.037 11.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.392 -3.606 10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.746 -3.310 12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.064 -1.101 12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.870 -1.720 11.092 1.00 0.00 H new ATOM 411 N GLY A 30 -9.455 -3.679 10.272 1.00 0.00 N ATOM 412 CA GLY A 30 -8.224 -4.448 10.291 1.00 0.00 C ATOM 413 C GLY A 30 -8.471 -5.933 10.471 1.00 0.00 C ATOM 414 O GLY A 30 -7.616 -6.654 10.986 1.00 0.00 O ATOM 0 H GLY A 30 -10.112 -3.940 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.682 -4.283 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.587 -4.088 11.099 1.00 0.00 H new ATOM 418 N VAL A 31 -9.645 -6.392 10.048 1.00 0.00 N ATOM 419 CA VAL A 31 -10.003 -7.800 10.166 1.00 0.00 C ATOM 420 C VAL A 31 -9.352 -8.627 9.063 1.00 0.00 C ATOM 421 O VAL A 31 -9.682 -8.479 7.887 1.00 0.00 O ATOM 422 CB VAL A 31 -11.530 -7.998 10.108 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.881 -9.474 10.221 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.213 -7.194 11.204 1.00 0.00 C ATOM 0 H VAL A 31 -10.364 -5.809 9.620 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.637 -8.139 11.135 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.890 -7.636 9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.963 -9.595 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.422 -10.021 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.509 -9.865 11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.291 -7.345 11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.850 -7.524 12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.988 -6.136 11.073 1.00 0.00 H new ATOM 434 N GLU A 32 -8.426 -9.497 9.452 1.00 0.00 N ATOM 435 CA GLU A 32 -7.728 -10.348 8.495 1.00 0.00 C ATOM 436 C GLU A 32 -8.717 -11.183 7.687 1.00 0.00 C ATOM 437 O GLU A 32 -9.417 -12.037 8.233 1.00 0.00 O ATOM 438 CB GLU A 32 -6.741 -11.266 9.219 1.00 0.00 C ATOM 439 CG GLU A 32 -5.540 -10.535 9.794 1.00 0.00 C ATOM 440 CD GLU A 32 -4.406 -11.473 10.161 1.00 0.00 C ATOM 441 OE1 GLU A 32 -4.420 -12.008 11.289 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.506 -11.672 9.319 1.00 0.00 O ATOM 0 H GLU A 32 -8.142 -9.631 10.422 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.178 -9.704 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.262 -11.782 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.392 -12.030 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.182 -9.805 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.848 -9.979 10.680 1.00 0.00 H new ATOM 449 N LEU A 33 -8.770 -10.930 6.384 1.00 0.00 N ATOM 450 CA LEU A 33 -9.673 -11.657 5.499 1.00 0.00 C ATOM 451 C LEU A 33 -8.914 -12.694 4.678 1.00 0.00 C ATOM 452 O LEU A 33 -9.180 -13.892 4.772 1.00 0.00 O ATOM 453 CB LEU A 33 -10.400 -10.685 4.568 1.00 0.00 C ATOM 454 CG LEU A 33 -11.049 -9.473 5.238 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.590 -8.512 4.192 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.157 -9.916 6.182 1.00 0.00 C ATOM 0 H LEU A 33 -8.198 -10.227 5.917 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.406 -12.176 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.689 -10.326 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.173 -11.236 4.032 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.289 -8.953 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.048 -7.656 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.774 -8.170 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.337 -9.021 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.608 -9.041 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.917 -10.460 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.741 -10.565 6.952 1.00 0.00 H new ATOM 468 N GLY A 34 -7.965 -12.225 3.874 1.00 0.00 N ATOM 469 CA GLY A 34 -7.179 -13.124 3.049 1.00 0.00 C ATOM 470 C GLY A 34 -5.741 -12.669 2.902 1.00 0.00 C ATOM 471 O GLY A 34 -5.479 -11.509 2.587 1.00 0.00 O ATOM 0 H GLY A 34 -7.726 -11.238 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.198 -14.123 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.636 -13.199 2.062 1.00 0.00 H new ATOM 475 N SER A 35 -4.806 -13.585 3.133 1.00 0.00 N ATOM 476 CA SER A 35 -3.386 -13.271 3.030 1.00 0.00 C ATOM 477 C SER A 35 -2.898 -13.422 1.593 1.00 0.00 C ATOM 478 O SER A 35 -3.340 -14.311 0.866 1.00 0.00 O ATOM 479 CB SER A 35 -2.572 -14.178 3.955 1.00 0.00 C ATOM 480 OG SER A 35 -2.768 -15.544 3.631 1.00 0.00 O ATOM 0 H SER A 35 -5.006 -14.551 3.393 1.00 0.00 H new ATOM 0 HA SER A 35 -3.247 -12.234 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.514 -13.930 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.862 -14.001 4.991 1.00 0.00 H new ATOM 0 HG SER A 35 -2.236 -16.103 4.235 1.00 0.00 H new ATOM 486 N GLY A 36 -1.983 -12.546 1.189 1.00 0.00 N ATOM 487 CA GLY A 36 -1.450 -12.598 -0.160 1.00 0.00 C ATOM 488 C GLY A 36 -0.097 -11.925 -0.275 1.00 0.00 C ATOM 489 O GLY A 36 0.330 -11.214 0.634 1.00 0.00 O ATOM 0 H GLY A 36 -1.601 -11.801 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.363 -13.638 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.151 -12.118 -0.843 1.00 0.00 H new ATOM 493 N VAL A 37 0.581 -12.151 -1.396 1.00 0.00 N ATOM 494 CA VAL A 37 1.895 -11.562 -1.627 1.00 0.00 C ATOM 495 C VAL A 37 1.793 -10.320 -2.505 1.00 0.00 C ATOM 496 O VAL A 37 1.334 -10.389 -3.644 1.00 0.00 O ATOM 497 CB VAL A 37 2.853 -12.569 -2.290 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.182 -11.906 -2.617 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.058 -13.779 -1.392 1.00 0.00 C ATOM 0 H VAL A 37 0.242 -12.738 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 37 2.293 -11.282 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 37 2.405 -12.910 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.846 -12.633 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.015 -11.074 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.639 -11.535 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.738 -14.480 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.484 -13.458 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.100 -14.267 -1.214 1.00 0.00 H new ATOM 509 N MET A 38 2.225 -9.184 -1.966 1.00 0.00 N ATOM 510 CA MET A 38 2.184 -7.926 -2.701 1.00 0.00 C ATOM 511 C MET A 38 3.411 -7.778 -3.595 1.00 0.00 C ATOM 512 O MET A 38 4.518 -8.157 -3.212 1.00 0.00 O ATOM 513 CB MET A 38 2.101 -6.746 -1.731 1.00 0.00 C ATOM 514 CG MET A 38 1.807 -5.419 -2.412 1.00 0.00 C ATOM 515 SD MET A 38 0.288 -5.458 -3.383 1.00 0.00 S ATOM 516 CE MET A 38 -0.907 -4.915 -2.164 1.00 0.00 C ATOM 0 H MET A 38 2.607 -9.110 -1.023 1.00 0.00 H new ATOM 0 HA MET A 38 1.295 -7.932 -3.332 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.324 -6.947 -0.993 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.043 -6.666 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.731 -4.637 -1.657 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.642 -5.155 -3.061 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.694 -4.343 -2.656 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.344 -5.783 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.411 -4.288 -1.423 1.00 0.00 H new ATOM 526 N GLU A 39 3.207 -7.226 -4.787 1.00 0.00 N ATOM 527 CA GLU A 39 4.298 -7.031 -5.735 1.00 0.00 C ATOM 528 C GLU A 39 4.158 -5.695 -6.458 1.00 0.00 C ATOM 529 O GLU A 39 3.087 -5.361 -6.968 1.00 0.00 O ATOM 530 CB GLU A 39 4.329 -8.173 -6.753 1.00 0.00 C ATOM 531 CG GLU A 39 5.419 -8.025 -7.801 1.00 0.00 C ATOM 532 CD GLU A 39 5.238 -8.973 -8.970 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.076 -9.291 -9.300 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.256 -9.397 -9.555 1.00 0.00 O ATOM 0 H GLU A 39 2.297 -6.906 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 39 5.234 -7.026 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.470 -9.116 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.362 -8.230 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.427 -6.999 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.389 -8.206 -7.338 1.00 0.00 H new ATOM 541 N LEU A 40 5.246 -4.934 -6.498 1.00 0.00 N ATOM 542 CA LEU A 40 5.246 -3.633 -7.158 1.00 0.00 C ATOM 543 C LEU A 40 6.254 -3.602 -8.302 1.00 0.00 C ATOM 544 O LEU A 40 7.464 -3.550 -8.077 1.00 0.00 O ATOM 545 CB LEU A 40 5.567 -2.528 -6.150 1.00 0.00 C ATOM 546 CG LEU A 40 4.369 -1.906 -5.431 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.008 -2.719 -4.197 1.00 0.00 C ATOM 548 CD2 LEU A 40 4.664 -0.462 -5.053 1.00 0.00 C ATOM 0 H LEU A 40 6.140 -5.195 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 40 4.252 -3.463 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.245 -2.934 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.105 -1.735 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 40 3.517 -1.915 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.154 -2.262 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.754 -3.737 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.858 -2.741 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.800 -0.036 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.530 -0.429 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.874 0.114 -5.954 1.00 0.00 H new ATOM 560 N THR A 41 5.749 -3.633 -9.531 1.00 0.00 N ATOM 561 CA THR A 41 6.604 -3.608 -10.710 1.00 0.00 C ATOM 562 C THR A 41 6.550 -2.249 -11.400 1.00 0.00 C ATOM 563 O THR A 41 5.502 -1.606 -11.441 1.00 0.00 O ATOM 564 CB THR A 41 6.202 -4.699 -11.720 1.00 0.00 C ATOM 565 OG1 THR A 41 4.851 -4.497 -12.147 1.00 0.00 O ATOM 566 CG2 THR A 41 6.343 -6.084 -11.104 1.00 0.00 C ATOM 0 H THR A 41 4.751 -3.676 -9.735 1.00 0.00 H new ATOM 0 HA THR A 41 7.621 -3.799 -10.366 1.00 0.00 H new ATOM 0 HB THR A 41 6.868 -4.631 -12.580 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.431 -3.809 -11.590 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.054 -6.839 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.379 -6.246 -10.806 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.698 -6.160 -10.229 1.00 0.00 H new ATOM 574 N GLN A 42 7.686 -1.820 -11.941 1.00 0.00 N ATOM 575 CA GLN A 42 7.766 -0.537 -12.630 1.00 0.00 C ATOM 576 C GLN A 42 6.529 -0.302 -13.490 1.00 0.00 C ATOM 577 O GLN A 42 6.066 0.830 -13.633 1.00 0.00 O ATOM 578 CB GLN A 42 9.024 -0.478 -13.498 1.00 0.00 C ATOM 579 CG GLN A 42 9.507 0.936 -13.775 1.00 0.00 C ATOM 580 CD GLN A 42 10.439 1.012 -14.968 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.285 0.139 -15.165 1.00 0.00 O ATOM 582 NE2 GLN A 42 10.290 2.059 -15.771 1.00 0.00 N ATOM 0 H GLN A 42 8.562 -2.341 -11.916 1.00 0.00 H new ATOM 0 HA GLN A 42 7.816 0.249 -11.876 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.821 -1.035 -13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.825 -0.977 -14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.647 1.582 -13.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.020 1.320 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.576 2.759 -15.570 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.890 2.164 -16.589 1.00 0.00 H new ATOM 591 N SER A 43 5.997 -1.379 -14.059 1.00 0.00 N ATOM 592 CA SER A 43 4.815 -1.289 -14.909 1.00 0.00 C ATOM 593 C SER A 43 3.605 -0.817 -14.108 1.00 0.00 C ATOM 594 O SER A 43 3.136 0.308 -14.278 1.00 0.00 O ATOM 595 CB SER A 43 4.518 -2.646 -15.550 1.00 0.00 C ATOM 596 OG SER A 43 5.619 -3.098 -16.319 1.00 0.00 O ATOM 0 H SER A 43 6.365 -2.324 -13.947 1.00 0.00 H new ATOM 0 HA SER A 43 5.016 -0.560 -15.694 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.288 -3.376 -14.774 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.635 -2.567 -16.184 1.00 0.00 H new ATOM 0 HG SER A 43 5.405 -3.968 -16.717 1.00 0.00 H new ATOM 602 N GLU A 44 3.105 -1.685 -13.235 1.00 0.00 N ATOM 603 CA GLU A 44 1.949 -1.357 -12.408 1.00 0.00 C ATOM 604 C GLU A 44 1.975 -2.143 -11.101 1.00 0.00 C ATOM 605 O GLU A 44 2.862 -2.968 -10.876 1.00 0.00 O ATOM 606 CB GLU A 44 0.653 -1.650 -13.167 1.00 0.00 C ATOM 607 CG GLU A 44 0.339 -3.132 -13.287 1.00 0.00 C ATOM 608 CD GLU A 44 1.514 -3.937 -13.805 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.946 -3.688 -14.950 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.003 -4.816 -13.065 1.00 0.00 O ATOM 0 H GLU A 44 3.482 -2.620 -13.082 1.00 0.00 H new ATOM 0 HA GLU A 44 1.992 -0.294 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.174 -1.152 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.722 -1.220 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.042 -3.517 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.512 -3.266 -13.955 1.00 0.00 H new ATOM 617 N LEU A 45 0.997 -1.882 -10.241 1.00 0.00 N ATOM 618 CA LEU A 45 0.906 -2.564 -8.955 1.00 0.00 C ATOM 619 C LEU A 45 0.231 -3.923 -9.106 1.00 0.00 C ATOM 620 O LEU A 45 -0.921 -4.013 -9.531 1.00 0.00 O ATOM 621 CB LEU A 45 0.131 -1.705 -7.954 1.00 0.00 C ATOM 622 CG LEU A 45 0.513 -1.880 -6.483 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.390 -1.038 -5.594 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.440 -3.347 -6.084 1.00 0.00 C ATOM 0 H LEU A 45 0.255 -1.203 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 45 1.918 -2.721 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.268 -0.657 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.931 -1.926 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 45 1.540 -1.539 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.104 -1.175 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.288 0.013 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.426 -1.348 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.715 -3.453 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.576 -3.714 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.128 -3.926 -6.700 1.00 0.00 H new ATOM 636 N VAL A 46 0.955 -4.981 -8.752 1.00 0.00 N ATOM 637 CA VAL A 46 0.425 -6.336 -8.845 1.00 0.00 C ATOM 638 C VAL A 46 0.151 -6.915 -7.461 1.00 0.00 C ATOM 639 O VAL A 46 0.847 -6.599 -6.495 1.00 0.00 O ATOM 640 CB VAL A 46 1.394 -7.267 -9.597 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.690 -8.551 -10.009 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.982 -6.559 -10.808 1.00 0.00 C ATOM 0 H VAL A 46 1.910 -4.925 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.511 -6.273 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 46 2.212 -7.529 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.391 -9.196 -10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.323 -9.066 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.149 -8.312 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.664 -7.232 -11.327 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.178 -6.265 -11.483 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.525 -5.672 -10.483 1.00 0.00 H new ATOM 652 N LEU A 47 -0.866 -7.764 -7.372 1.00 0.00 N ATOM 653 CA LEU A 47 -1.233 -8.389 -6.106 1.00 0.00 C ATOM 654 C LEU A 47 -1.542 -9.870 -6.299 1.00 0.00 C ATOM 655 O LEU A 47 -2.543 -10.231 -6.919 1.00 0.00 O ATOM 656 CB LEU A 47 -2.443 -7.679 -5.496 1.00 0.00 C ATOM 657 CG LEU A 47 -2.536 -7.703 -3.970 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.917 -7.260 -3.513 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.215 -9.092 -3.438 1.00 0.00 C ATOM 0 H LEU A 47 -1.452 -8.036 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.386 -8.299 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.432 -6.639 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.348 -8.131 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.802 -7.004 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.965 -7.283 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.108 -6.246 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.669 -7.933 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.286 -9.090 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.925 -9.811 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.204 -9.371 -3.735 1.00 0.00 H new ATOM 671 N HIS A 48 -0.676 -10.725 -5.763 1.00 0.00 N ATOM 672 CA HIS A 48 -0.858 -12.168 -5.873 1.00 0.00 C ATOM 673 C HIS A 48 -1.829 -12.676 -4.812 1.00 0.00 C ATOM 674 O HIS A 48 -1.579 -12.543 -3.613 1.00 0.00 O ATOM 675 CB HIS A 48 0.486 -12.884 -5.737 1.00 0.00 C ATOM 676 CG HIS A 48 1.497 -12.459 -6.757 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.535 -12.970 -8.038 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.510 -11.565 -6.680 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.529 -12.409 -8.703 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.136 -11.553 -7.902 1.00 0.00 N ATOM 0 H HIS A 48 0.158 -10.443 -5.248 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.278 -12.383 -6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.888 -12.699 -4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.326 -13.959 -5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.776 -10.972 -5.818 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.799 -12.616 -9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.940 -10.976 -8.151 1.00 0.00 H new ATOM 689 N LEU A 49 -2.936 -13.257 -5.259 1.00 0.00 N ATOM 690 CA LEU A 49 -3.945 -13.785 -4.348 1.00 0.00 C ATOM 691 C LEU A 49 -3.968 -15.310 -4.385 1.00 0.00 C ATOM 692 O LEU A 49 -4.053 -15.914 -5.455 1.00 0.00 O ATOM 693 CB LEU A 49 -5.325 -13.234 -4.709 1.00 0.00 C ATOM 694 CG LEU A 49 -5.541 -11.742 -4.451 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.190 -11.393 -3.013 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.715 -10.909 -5.421 1.00 0.00 C ATOM 0 H LEU A 49 -3.158 -13.375 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.687 -13.468 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.507 -13.430 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.075 -13.792 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.594 -11.513 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.350 -10.328 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.824 -11.964 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.144 -11.637 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.881 -9.850 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.658 -11.141 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.014 -11.138 -6.444 1.00 0.00 H new ATOM 789 N ALA A 54 -4.519 -12.781 -10.505 1.00 0.00 N ATOM 790 CA ALA A 54 -3.614 -11.682 -10.193 1.00 0.00 C ATOM 791 C ALA A 54 -4.175 -10.352 -10.685 1.00 0.00 C ATOM 792 O ALA A 54 -4.377 -10.157 -11.884 1.00 0.00 O ATOM 793 CB ALA A 54 -2.244 -11.937 -10.804 1.00 0.00 C ATOM 0 HA ALA A 54 -3.512 -11.625 -9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.578 -11.108 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.832 -12.862 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.339 -12.023 -11.886 1.00 0.00 H new ATOM 799 N VAL A 55 -4.425 -9.439 -9.752 1.00 0.00 N ATOM 800 CA VAL A 55 -4.963 -8.127 -10.091 1.00 0.00 C ATOM 801 C VAL A 55 -3.844 -7.116 -10.314 1.00 0.00 C ATOM 802 O VAL A 55 -2.857 -7.094 -9.578 1.00 0.00 O ATOM 803 CB VAL A 55 -5.901 -7.603 -8.988 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.503 -6.265 -9.389 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.993 -8.620 -8.690 1.00 0.00 C ATOM 0 H VAL A 55 -4.264 -9.584 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.531 -8.246 -11.014 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.317 -7.454 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.163 -5.911 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.705 -5.540 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.073 -6.384 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.647 -8.233 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.576 -8.803 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.540 -9.553 -8.355 1.00 0.00 H new ATOM 815 N ARG A 56 -4.005 -6.279 -11.334 1.00 0.00 N ATOM 816 CA ARG A 56 -3.008 -5.265 -11.655 1.00 0.00 C ATOM 817 C ARG A 56 -3.633 -3.873 -11.668 1.00 0.00 C ATOM 818 O ARG A 56 -4.691 -3.662 -12.262 1.00 0.00 O ATOM 819 CB ARG A 56 -2.368 -5.561 -13.012 1.00 0.00 C ATOM 820 CG ARG A 56 -2.187 -7.044 -13.290 1.00 0.00 C ATOM 821 CD ARG A 56 -2.077 -7.322 -14.781 1.00 0.00 C ATOM 822 NE ARG A 56 -3.387 -7.501 -15.402 1.00 0.00 N ATOM 823 CZ ARG A 56 -4.178 -8.542 -15.162 1.00 0.00 C ATOM 824 NH1 ARG A 56 -3.794 -9.490 -14.319 1.00 0.00 N ATOM 825 NH2 ARG A 56 -5.356 -8.634 -15.766 1.00 0.00 N ATOM 0 H ARG A 56 -4.816 -6.283 -11.952 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.238 -5.291 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.985 -5.125 -13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.396 -5.070 -13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.290 -7.403 -12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.030 -7.598 -12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.555 -6.497 -15.266 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.475 -8.217 -14.940 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.712 -6.788 -16.055 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.889 -9.422 -13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.403 -10.288 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.655 -7.906 -16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.963 -9.433 -15.582 1.00 0.00 H new ATOM 839 N TRP A 57 -2.973 -2.928 -11.008 1.00 0.00 N ATOM 840 CA TRP A 57 -3.465 -1.556 -10.944 1.00 0.00 C ATOM 841 C TRP A 57 -2.394 -0.572 -11.402 1.00 0.00 C ATOM 842 O TRP A 57 -1.300 -0.503 -10.842 1.00 0.00 O ATOM 843 CB TRP A 57 -3.909 -1.218 -9.520 1.00 0.00 C ATOM 844 CG TRP A 57 -5.071 -2.041 -9.049 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.361 -1.965 -9.491 1.00 0.00 C ATOM 846 CD2 TRP A 57 -5.048 -3.061 -8.046 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.141 -2.877 -8.822 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.359 -3.562 -7.930 1.00 0.00 C ATOM 849 CE3 TRP A 57 -4.047 -3.602 -7.234 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.693 -4.576 -7.036 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.380 -4.608 -6.347 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.693 -5.087 -6.254 1.00 0.00 C ATOM 0 H TRP A 57 -2.097 -3.086 -10.510 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.321 -1.471 -11.614 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.069 -1.365 -8.841 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.177 -0.163 -9.471 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.716 -1.288 -10.254 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.140 -3.021 -8.966 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.031 -3.240 -7.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.705 -4.946 -6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.614 -5.032 -5.714 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.921 -5.875 -5.551 1.00 0.00 H new ATOM 863 N PRO A 58 -2.714 0.209 -12.445 1.00 0.00 N ATOM 864 CA PRO A 58 -1.792 1.204 -13.000 1.00 0.00 C ATOM 865 C PRO A 58 -1.575 2.383 -12.058 1.00 0.00 C ATOM 866 O PRO A 58 -2.532 2.967 -11.548 1.00 0.00 O ATOM 867 CB PRO A 58 -2.496 1.664 -14.280 1.00 0.00 C ATOM 868 CG PRO A 58 -3.942 1.407 -14.030 1.00 0.00 C ATOM 869 CD PRO A 58 -4.000 0.181 -13.161 1.00 0.00 C ATOM 0 HA PRO A 58 -0.798 0.789 -13.169 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.310 2.720 -14.477 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.140 1.110 -15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.410 2.258 -13.536 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.478 1.248 -14.966 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.844 0.216 -12.472 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.110 -0.727 -13.754 1.00 0.00 H new ATOM 877 N TYR A 59 -0.313 2.729 -11.832 1.00 0.00 N ATOM 878 CA TYR A 59 0.029 3.838 -10.949 1.00 0.00 C ATOM 879 C TYR A 59 -0.547 5.149 -11.473 1.00 0.00 C ATOM 880 O TYR A 59 -1.144 5.923 -10.723 1.00 0.00 O ATOM 881 CB TYR A 59 1.548 3.955 -10.808 1.00 0.00 C ATOM 882 CG TYR A 59 2.216 2.672 -10.367 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.797 2.005 -9.222 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.267 2.127 -11.094 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.404 0.833 -8.815 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.879 0.955 -10.696 1.00 0.00 C ATOM 887 CZ TYR A 59 3.445 0.312 -9.555 1.00 0.00 C ATOM 888 OH TYR A 59 4.053 -0.855 -9.154 1.00 0.00 O ATOM 0 H TYR A 59 0.490 2.258 -12.248 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.406 3.637 -9.970 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.970 4.265 -11.764 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.778 4.741 -10.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.982 2.410 -8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.611 2.629 -11.986 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.066 0.327 -7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.693 0.544 -11.275 1.00 0.00 H new ATOM 0 HH TYR A 59 4.606 -1.203 -9.884 1.00 0.00 H new ATOM 898 N LEU A 60 -0.364 5.393 -12.766 1.00 0.00 N ATOM 899 CA LEU A 60 -0.865 6.611 -13.394 1.00 0.00 C ATOM 900 C LEU A 60 -2.313 6.875 -12.991 1.00 0.00 C ATOM 901 O LEU A 60 -2.769 8.019 -12.993 1.00 0.00 O ATOM 902 CB LEU A 60 -0.759 6.504 -14.916 1.00 0.00 C ATOM 903 CG LEU A 60 -1.203 5.175 -15.529 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.745 5.389 -16.933 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.048 4.184 -15.546 1.00 0.00 C ATOM 0 H LEU A 60 0.128 4.763 -13.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.253 7.446 -13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.355 7.302 -15.358 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.277 6.684 -15.201 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.002 4.761 -14.913 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.056 4.432 -17.353 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.601 6.063 -16.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.968 5.825 -17.561 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.382 3.244 -15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.772 4.591 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.294 4.007 -14.526 1.00 0.00 H new ATOM 917 N CYS A 61 -3.028 5.811 -12.644 1.00 0.00 N ATOM 918 CA CYS A 61 -4.424 5.927 -12.236 1.00 0.00 C ATOM 919 C CYS A 61 -4.532 6.207 -10.741 1.00 0.00 C ATOM 920 O CYS A 61 -5.429 6.924 -10.295 1.00 0.00 O ATOM 921 CB CYS A 61 -5.187 4.649 -12.585 1.00 0.00 C ATOM 922 SG CYS A 61 -5.536 4.455 -14.349 1.00 0.00 S ATOM 0 H CYS A 61 -2.664 4.858 -12.637 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.866 6.764 -12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.610 3.790 -12.243 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.129 4.640 -12.036 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.182 3.344 -14.544 1.00 0.00 H new ATOM 928 N LEU A 62 -3.614 5.635 -9.969 1.00 0.00 N ATOM 929 CA LEU A 62 -3.606 5.821 -8.523 1.00 0.00 C ATOM 930 C LEU A 62 -3.690 7.301 -8.163 1.00 0.00 C ATOM 931 O LEU A 62 -2.698 8.026 -8.240 1.00 0.00 O ATOM 932 CB LEU A 62 -2.343 5.208 -7.916 1.00 0.00 C ATOM 933 CG LEU A 62 -2.285 3.681 -7.887 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.190 3.206 -6.945 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.632 3.104 -7.474 1.00 0.00 C ATOM 0 H LEU A 62 -2.865 5.038 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.481 5.316 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.481 5.574 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.240 5.575 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.052 3.327 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.164 2.116 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.227 3.590 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.393 3.571 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.572 2.016 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.894 3.467 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.395 3.416 -8.187 1.00 0.00 H new ATOM 947 N ARG A 63 -4.880 7.743 -7.769 1.00 0.00 N ATOM 948 CA ARG A 63 -5.093 9.136 -7.397 1.00 0.00 C ATOM 949 C ARG A 63 -4.250 9.509 -6.181 1.00 0.00 C ATOM 950 O ARG A 63 -3.556 10.526 -6.182 1.00 0.00 O ATOM 951 CB ARG A 63 -6.573 9.387 -7.101 1.00 0.00 C ATOM 952 CG ARG A 63 -7.469 9.254 -8.322 1.00 0.00 C ATOM 953 CD ARG A 63 -8.929 9.102 -7.927 1.00 0.00 C ATOM 954 NE ARG A 63 -9.511 10.366 -7.484 1.00 0.00 N ATOM 955 CZ ARG A 63 -10.723 10.470 -6.950 1.00 0.00 C ATOM 956 NH1 ARG A 63 -11.477 9.391 -6.793 1.00 0.00 N ATOM 957 NH2 ARG A 63 -11.182 11.656 -6.571 1.00 0.00 N ATOM 0 H ARG A 63 -5.711 7.156 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.786 9.761 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.907 8.684 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.687 10.388 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.352 10.132 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.158 8.391 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.496 8.720 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.014 8.365 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.957 11.216 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.127 8.478 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.407 9.474 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.604 12.488 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.113 11.735 -6.161 1.00 0.00 H new ATOM 971 N ARG A 64 -4.317 8.680 -5.145 1.00 0.00 N ATOM 972 CA ARG A 64 -3.561 8.923 -3.922 1.00 0.00 C ATOM 973 C ARG A 64 -3.121 7.608 -3.284 1.00 0.00 C ATOM 974 O ARG A 64 -3.465 6.528 -3.764 1.00 0.00 O ATOM 975 CB ARG A 64 -4.403 9.727 -2.929 1.00 0.00 C ATOM 976 CG ARG A 64 -5.839 9.242 -2.815 1.00 0.00 C ATOM 977 CD ARG A 64 -6.697 10.222 -2.031 1.00 0.00 C ATOM 978 NE ARG A 64 -8.049 9.713 -1.813 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.000 9.733 -2.739 1.00 0.00 C ATOM 980 NH1 ARG A 64 -8.750 10.234 -3.941 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.206 9.251 -2.464 1.00 0.00 N ATOM 0 H ARG A 64 -4.887 7.834 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.671 9.496 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.934 9.680 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.405 10.774 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.259 9.106 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.858 8.268 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.227 10.426 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.748 11.169 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.275 9.321 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.825 10.605 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.483 10.248 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.403 8.865 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.936 9.267 -3.176 1.00 0.00 H new ATOM 995 N TYR A 65 -2.357 7.709 -2.202 1.00 0.00 N ATOM 996 CA TYR A 65 -1.866 6.528 -1.501 1.00 0.00 C ATOM 997 C TYR A 65 -1.190 6.916 -0.189 1.00 0.00 C ATOM 998 O TYR A 65 -0.297 7.762 -0.165 1.00 0.00 O ATOM 999 CB TYR A 65 -0.887 5.754 -2.384 1.00 0.00 C ATOM 1000 CG TYR A 65 0.295 6.578 -2.844 1.00 0.00 C ATOM 1001 CD1 TYR A 65 1.449 6.664 -2.074 1.00 0.00 C ATOM 1002 CD2 TYR A 65 0.258 7.270 -4.048 1.00 0.00 C ATOM 1003 CE1 TYR A 65 2.530 7.417 -2.490 1.00 0.00 C ATOM 1004 CE2 TYR A 65 1.335 8.024 -4.472 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.469 8.094 -3.689 1.00 0.00 C ATOM 1006 OH TYR A 65 3.544 8.844 -4.108 1.00 0.00 O ATOM 0 H TYR A 65 -2.064 8.596 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.720 5.890 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.522 4.886 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.419 5.377 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.501 6.133 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.628 7.218 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.418 7.475 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.290 8.556 -5.411 1.00 0.00 H new ATOM 0 HH TYR A 65 3.338 9.256 -4.973 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.622 6.288 0.900 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.047 6.579 2.201 1.00 0.00 C ATOM 1018 C GLY A 66 -0.512 5.339 2.889 1.00 0.00 C ATOM 1019 O GLY A 66 -0.516 4.251 2.313 1.00 0.00 O ATOM 0 H GLY A 66 -2.359 5.583 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.240 7.303 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.803 7.044 2.833 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.049 5.502 4.123 1.00 0.00 N ATOM 1024 CA TYR A 67 0.496 4.388 4.889 1.00 0.00 C ATOM 1025 C TYR A 67 0.658 4.764 6.358 1.00 0.00 C ATOM 1026 O TYR A 67 1.313 5.753 6.689 1.00 0.00 O ATOM 1027 CB TYR A 67 1.844 3.955 4.310 1.00 0.00 C ATOM 1028 CG TYR A 67 3.014 4.751 4.840 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.033 6.138 4.752 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.102 4.117 5.427 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.101 6.870 5.234 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.174 4.841 5.913 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.168 6.217 5.814 1.00 0.00 C ATOM 1034 OH TYR A 67 6.234 6.942 6.296 1.00 0.00 O ATOM 0 H TYR A 67 -0.040 6.396 4.615 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.205 3.556 4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.003 2.900 4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.812 4.051 3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.198 6.652 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.110 3.040 5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.100 7.947 5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.011 4.333 6.368 1.00 0.00 H new ATOM 0 HH TYR A 67 6.901 6.331 6.674 1.00 0.00 H new ATOM 1044 N ASP A 68 0.058 3.968 7.236 1.00 0.00 N ATOM 1045 CA ASP A 68 0.136 4.215 8.671 1.00 0.00 C ATOM 1046 C ASP A 68 1.282 3.425 9.297 1.00 0.00 C ATOM 1047 O ASP A 68 2.044 2.758 8.597 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.184 3.843 9.347 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.424 4.629 10.621 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.410 5.876 10.560 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.625 3.997 11.680 1.00 0.00 O ATOM 0 H ASP A 68 -0.488 3.146 6.979 1.00 0.00 H new ATOM 0 HA ASP A 68 0.326 5.278 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.006 4.020 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.184 2.777 9.576 1.00 0.00 H new ATOM 1056 N SER A 69 1.398 3.507 10.618 1.00 0.00 N ATOM 1057 CA SER A 69 2.454 2.804 11.338 1.00 0.00 C ATOM 1058 C SER A 69 2.608 1.377 10.819 1.00 0.00 C ATOM 1059 O SER A 69 3.605 1.041 10.182 1.00 0.00 O ATOM 1060 CB SER A 69 2.152 2.784 12.837 1.00 0.00 C ATOM 1061 OG SER A 69 2.612 3.967 13.466 1.00 0.00 O ATOM 0 H SER A 69 0.774 4.053 11.212 1.00 0.00 H new ATOM 0 HA SER A 69 3.391 3.336 11.171 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.078 2.679 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.627 1.917 13.295 1.00 0.00 H new ATOM 0 HG SER A 69 2.405 3.930 14.423 1.00 0.00 H new ATOM 1067 N ASN A 70 1.612 0.542 11.098 1.00 0.00 N ATOM 1068 CA ASN A 70 1.636 -0.849 10.661 1.00 0.00 C ATOM 1069 C ASN A 70 0.463 -1.147 9.731 1.00 0.00 C ATOM 1070 O ASN A 70 -0.143 -2.217 9.802 1.00 0.00 O ATOM 1071 CB ASN A 70 1.593 -1.786 11.870 1.00 0.00 C ATOM 1072 CG ASN A 70 2.862 -1.719 12.697 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.401 -0.640 12.942 1.00 0.00 O ATOM 1074 ND2 ASN A 70 3.346 -2.877 13.133 1.00 0.00 N ATOM 0 H ASN A 70 0.779 0.804 11.624 1.00 0.00 H new ATOM 0 HA ASN A 70 2.563 -1.016 10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.740 -1.527 12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.439 -2.809 11.528 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.197 -2.895 13.695 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.866 -3.748 12.906 1.00 0.00 H new ATOM 1081 N LEU A 71 0.150 -0.195 8.860 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.950 -0.355 7.914 1.00 0.00 C ATOM 1083 C LEU A 71 -0.666 0.396 6.617 1.00 0.00 C ATOM 1084 O LEU A 71 -0.032 1.451 6.624 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.256 0.147 8.531 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.534 -0.185 7.760 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.908 -1.647 7.953 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.674 0.722 8.200 1.00 0.00 C ATOM 0 H LEU A 71 0.642 0.696 8.788 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.048 -1.416 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.343 -0.268 9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.191 1.230 8.638 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.351 -0.015 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.820 -1.866 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.100 -2.281 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.073 -1.844 9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.575 0.471 7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.858 0.584 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.406 1.761 8.010 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.141 -0.155 5.505 1.00 0.00 N ATOM 1101 CA PHE A 72 -0.940 0.463 4.199 1.00 0.00 C ATOM 1102 C PHE A 72 -2.184 0.315 3.329 1.00 0.00 C ATOM 1103 O PHE A 72 -2.784 -0.759 3.263 1.00 0.00 O ATOM 1104 CB PHE A 72 0.266 -0.164 3.495 1.00 0.00 C ATOM 1105 CG PHE A 72 0.252 0.020 2.005 1.00 0.00 C ATOM 1106 CD1 PHE A 72 -0.362 -0.912 1.184 1.00 0.00 C ATOM 1107 CD2 PHE A 72 0.854 1.125 1.424 1.00 0.00 C ATOM 1108 CE1 PHE A 72 -0.377 -0.746 -0.188 1.00 0.00 C ATOM 1109 CE2 PHE A 72 0.841 1.297 0.053 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.227 0.359 -0.754 1.00 0.00 C ATOM 0 H PHE A 72 -1.668 -1.028 5.482 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.751 1.525 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.180 0.273 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.295 -1.230 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.835 -1.779 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.339 1.860 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.860 -1.479 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.311 2.164 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.219 0.490 -1.826 1.00 0.00 H new ATOM 1120 N SER A 73 -2.567 1.400 2.665 1.00 0.00 N ATOM 1121 CA SER A 73 -3.743 1.393 1.803 1.00 0.00 C ATOM 1122 C SER A 73 -3.574 2.373 0.645 1.00 0.00 C ATOM 1123 O SER A 73 -2.717 3.256 0.685 1.00 0.00 O ATOM 1124 CB SER A 73 -4.995 1.749 2.608 1.00 0.00 C ATOM 1125 OG SER A 73 -6.172 1.458 1.875 1.00 0.00 O ATOM 0 H SER A 73 -2.080 2.295 2.707 1.00 0.00 H new ATOM 0 HA SER A 73 -3.856 0.389 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.999 1.192 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.976 2.808 2.867 1.00 0.00 H new ATOM 0 HG SER A 73 -5.977 0.773 1.202 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.398 2.211 -0.384 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.340 3.080 -1.554 1.00 0.00 C ATOM 1133 C PHE A 74 -5.693 3.136 -2.257 1.00 0.00 C ATOM 1134 O PHE A 74 -6.582 2.331 -1.980 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.267 2.589 -2.528 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.450 1.160 -2.952 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -3.062 0.122 -2.122 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.011 0.856 -4.182 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.231 -1.195 -2.509 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.182 -0.458 -4.575 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.790 -1.484 -3.738 1.00 0.00 C ATOM 0 H PHE A 74 -5.114 1.486 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.083 4.084 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.272 3.226 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.288 2.699 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.622 0.343 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.318 1.655 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.926 -1.996 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.622 -0.682 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.921 -2.511 -4.044 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.841 4.093 -3.168 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.086 4.255 -3.910 1.00 0.00 C ATOM 1153 C GLU A 75 -6.868 4.002 -5.399 1.00 0.00 C ATOM 1154 O GLU A 75 -5.977 4.587 -6.016 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.653 5.660 -3.698 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.045 5.849 -4.276 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.020 6.323 -5.716 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -7.912 6.517 -6.258 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.109 6.500 -6.301 1.00 0.00 O ATOM 0 H GLU A 75 -5.115 4.767 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.801 3.522 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.680 5.874 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.979 6.387 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.590 4.907 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.591 6.571 -3.669 1.00 0.00 H new ATOM 1166 N SER A 76 -7.689 3.127 -5.971 1.00 0.00 N ATOM 1167 CA SER A 76 -7.584 2.792 -7.386 1.00 0.00 C ATOM 1168 C SER A 76 -8.541 3.642 -8.217 1.00 0.00 C ATOM 1169 O SER A 76 -9.690 3.858 -7.833 1.00 0.00 O ATOM 1170 CB SER A 76 -7.882 1.308 -7.605 1.00 0.00 C ATOM 1171 OG SER A 76 -9.247 1.019 -7.358 1.00 0.00 O ATOM 0 H SER A 76 -8.434 2.637 -5.476 1.00 0.00 H new ATOM 0 HA SER A 76 -6.564 3.001 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.628 1.030 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.255 0.707 -6.946 1.00 0.00 H new ATOM 0 HG SER A 76 -9.432 1.110 -6.400 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.058 4.121 -9.359 1.00 0.00 N ATOM 1178 CA GLY A 77 -8.882 4.942 -10.227 1.00 0.00 C ATOM 1179 C GLY A 77 -10.239 4.322 -10.494 1.00 0.00 C ATOM 1180 O GLY A 77 -10.545 3.241 -9.990 1.00 0.00 O ATOM 0 H GLY A 77 -7.111 3.955 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.017 5.923 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.364 5.098 -11.174 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.056 5.007 -11.288 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.389 4.518 -11.619 1.00 0.00 C ATOM 1186 C ARG A 78 -12.378 3.764 -12.945 1.00 0.00 C ATOM 1187 O ARG A 78 -13.180 2.856 -13.161 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.379 5.682 -11.689 1.00 0.00 C ATOM 1189 CG ARG A 78 -14.424 5.526 -12.782 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.352 4.354 -12.502 1.00 0.00 C ATOM 1191 NE ARG A 78 -16.547 4.765 -11.769 1.00 0.00 N ATOM 1192 CZ ARG A 78 -17.625 5.279 -12.350 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -17.658 5.445 -13.665 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -18.673 5.629 -11.615 1.00 0.00 N ATOM 0 H ARG A 78 -10.818 5.903 -11.714 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.702 3.830 -10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.883 5.778 -10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.828 6.608 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.008 6.443 -12.862 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.929 5.378 -13.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.646 3.891 -13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.817 3.597 -11.928 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.554 4.651 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.854 5.178 -14.233 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -18.487 5.840 -14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.651 5.503 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.500 6.024 -12.062 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.464 4.148 -13.831 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.350 3.510 -15.137 1.00 0.00 C ATOM 1210 C ARG A 79 -10.264 2.439 -15.125 1.00 0.00 C ATOM 1211 O ARG A 79 -9.519 2.285 -16.094 1.00 0.00 O ATOM 1212 CB ARG A 79 -11.041 4.553 -16.212 1.00 0.00 C ATOM 1213 CG ARG A 79 -12.132 5.599 -16.377 1.00 0.00 C ATOM 1214 CD ARG A 79 -13.303 5.060 -17.183 1.00 0.00 C ATOM 1215 NE ARG A 79 -12.899 4.637 -18.521 1.00 0.00 N ATOM 1216 CZ ARG A 79 -12.597 5.483 -19.500 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -12.653 6.791 -19.291 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -12.237 5.021 -20.690 1.00 0.00 N ATOM 0 H ARG A 79 -10.792 4.898 -13.668 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.303 3.034 -15.366 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.105 5.053 -15.963 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.888 4.046 -17.165 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.481 5.920 -15.396 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.722 6.479 -16.873 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.748 4.217 -16.655 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.072 5.828 -17.263 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.846 3.637 -18.715 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.928 7.150 -18.377 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.421 7.438 -20.044 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.192 4.015 -20.854 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.005 5.671 -21.441 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.178 1.702 -14.023 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.182 0.645 -13.885 1.00 0.00 C ATOM 1234 C CYS A 80 -9.829 -0.731 -14.000 1.00 0.00 C ATOM 1235 O CYS A 80 -11.022 -0.844 -14.279 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.458 0.771 -12.544 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.491 0.395 -11.109 1.00 0.00 S ATOM 0 H CYS A 80 -10.786 1.817 -13.212 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.458 0.754 -14.693 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.597 0.102 -12.544 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.073 1.786 -12.445 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.951 1.501 -10.604 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.033 -1.773 -13.786 1.00 0.00 N ATOM 1244 CA GLN A 81 -9.528 -3.142 -13.868 1.00 0.00 C ATOM 1245 C GLN A 81 -10.686 -3.361 -12.900 1.00 0.00 C ATOM 1246 O GLN A 81 -11.824 -3.581 -13.315 1.00 0.00 O ATOM 1247 CB GLN A 81 -8.402 -4.133 -13.569 1.00 0.00 C ATOM 1248 CG GLN A 81 -8.612 -5.501 -14.199 1.00 0.00 C ATOM 1249 CD GLN A 81 -7.307 -6.202 -14.519 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -6.668 -5.918 -15.533 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -6.902 -7.124 -13.653 1.00 0.00 N ATOM 0 H GLN A 81 -8.043 -1.696 -13.555 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.890 -3.311 -14.882 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.460 -3.718 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.309 -4.250 -12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.198 -6.123 -13.522 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.194 -5.390 -15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.463 -7.328 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.030 -7.628 -13.815 1.00 0.00 H new ATOM 1260 N THR A 82 -10.388 -3.300 -11.605 1.00 0.00 N ATOM 1261 CA THR A 82 -11.403 -3.494 -10.577 1.00 0.00 C ATOM 1262 C THR A 82 -12.236 -2.232 -10.383 1.00 0.00 C ATOM 1263 O THR A 82 -13.121 -2.186 -9.530 1.00 0.00 O ATOM 1264 CB THR A 82 -10.769 -3.890 -9.230 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.932 -2.831 -8.752 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.952 -5.165 -9.370 1.00 0.00 C ATOM 0 H THR A 82 -9.452 -3.118 -11.244 1.00 0.00 H new ATOM 0 HA THR A 82 -12.049 -4.303 -10.918 1.00 0.00 H new ATOM 0 HB THR A 82 -11.572 -4.069 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.662 -3.019 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.514 -5.424 -8.406 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.598 -5.976 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.157 -5.009 -10.099 1.00 0.00 H new ATOM 1274 N GLY A 83 -11.946 -1.208 -11.181 1.00 0.00 N ATOM 1275 CA GLY A 83 -12.679 0.040 -11.081 1.00 0.00 C ATOM 1276 C GLY A 83 -12.461 0.735 -9.751 1.00 0.00 C ATOM 1277 O GLY A 83 -11.722 0.241 -8.900 1.00 0.00 O ATOM 0 H GLY A 83 -11.217 -1.221 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.372 0.704 -11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.743 -0.155 -11.216 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.104 1.885 -9.574 1.00 0.00 N ATOM 1282 CA GLN A 84 -12.974 2.649 -8.339 1.00 0.00 C ATOM 1283 C GLN A 84 -13.070 1.736 -7.121 1.00 0.00 C ATOM 1284 O GLN A 84 -13.682 0.671 -7.177 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.055 3.729 -8.267 1.00 0.00 C ATOM 1286 CG GLN A 84 -15.417 3.201 -7.847 1.00 0.00 C ATOM 1287 CD GLN A 84 -16.291 2.833 -9.030 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -17.288 3.663 -9.310 1.00 0.00 O flip ATOM 1289 NE2 GLN A 84 -16.072 1.814 -9.685 1.00 0.00 N flip ATOM 0 H GLN A 84 -13.719 2.307 -10.269 1.00 0.00 H new ATOM 0 HA GLN A 84 -11.993 3.125 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.741 4.499 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.145 4.207 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.283 2.325 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.925 3.955 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.294 1.204 -9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.669 1.580 -10.478 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.458 2.162 -6.019 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.486 1.371 -4.803 1.00 0.00 C ATOM 1300 C GLY A 85 -11.172 1.420 -4.049 1.00 0.00 C ATOM 1301 O GLY A 85 -10.104 1.248 -4.639 1.00 0.00 O ATOM 0 H GLY A 85 -11.944 3.040 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.286 1.732 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.720 0.336 -5.052 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.248 1.656 -2.744 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.055 1.728 -1.910 1.00 0.00 C ATOM 1307 C ILE A 86 -9.807 0.407 -1.191 1.00 0.00 C ATOM 1308 O ILE A 86 -10.685 -0.111 -0.500 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.165 2.855 -0.866 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.454 4.191 -1.555 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -8.888 2.942 -0.044 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.233 5.159 -0.692 1.00 0.00 C ATOM 0 H ILE A 86 -12.124 1.801 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.218 1.940 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.992 2.628 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.510 4.653 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.012 4.004 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.981 3.743 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.722 1.996 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.045 3.149 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.402 6.084 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.192 4.716 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.667 5.375 0.214 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.604 -0.134 -1.355 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.239 -1.395 -0.721 1.00 0.00 C ATOM 1326 C PHE A 87 -7.123 -1.188 0.299 1.00 0.00 C ATOM 1327 O PHE A 87 -6.159 -0.467 0.042 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.799 -2.412 -1.776 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.749 -2.524 -2.934 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -8.654 -1.659 -4.011 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -9.738 -3.494 -2.944 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -9.526 -1.759 -5.079 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -10.613 -3.600 -4.009 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.508 -2.731 -5.077 1.00 0.00 C ATOM 0 H PHE A 87 -7.865 0.282 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.116 -1.779 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.814 -2.132 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.695 -3.390 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.889 -0.897 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.826 -4.175 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.440 -1.079 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -11.378 -4.362 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.192 -2.811 -5.909 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.262 -1.825 1.457 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.266 -1.712 2.515 1.00 0.00 C ATOM 1346 C ALA A 88 -5.747 -3.085 2.929 1.00 0.00 C ATOM 1347 O ALA A 88 -6.460 -4.084 2.833 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.851 -0.983 3.715 1.00 0.00 C ATOM 0 H ALA A 88 -8.055 -2.425 1.686 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.425 -1.136 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.096 -0.906 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.166 0.016 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.710 -1.536 4.093 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.501 -3.128 3.388 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.886 -4.379 3.815 1.00 0.00 C ATOM 1356 C PHE A 89 -3.045 -4.171 5.072 1.00 0.00 C ATOM 1357 O PHE A 89 -2.595 -3.061 5.355 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.015 -4.952 2.695 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.728 -5.059 1.377 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.891 -3.944 0.571 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.235 -6.273 0.944 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.546 -4.038 -0.643 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.890 -6.374 -0.268 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.047 -5.255 -1.062 1.00 0.00 C ATOM 0 H PHE A 89 -3.897 -2.311 3.474 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.683 -5.086 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.134 -4.322 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.662 -5.940 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.502 -2.990 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.117 -7.151 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.666 -3.161 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.279 -7.327 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.561 -5.331 -2.009 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.839 -5.248 5.823 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.053 -5.186 7.049 1.00 0.00 C ATOM 1376 C LYS A 90 -0.673 -5.803 6.842 1.00 0.00 C ATOM 1377 O LYS A 90 -0.553 -6.941 6.387 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.782 -5.910 8.184 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.484 -5.339 9.559 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.439 -5.886 10.608 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.582 -4.930 11.783 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.301 -3.683 11.399 1.00 0.00 N ATOM 0 H LYS A 90 -3.206 -6.174 5.604 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.927 -4.137 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.856 -5.861 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.504 -6.964 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.458 -5.578 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.560 -4.252 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.416 -6.059 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.077 -6.850 10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.120 -5.426 12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.594 -4.676 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.690 -3.230 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.639 -3.031 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.076 -3.916 10.746 1.00 0.00 H new ATOM 1396 N CYS A 91 0.365 -5.046 7.181 1.00 0.00 N ATOM 1397 CA CYS A 91 1.737 -5.519 7.033 1.00 0.00 C ATOM 1398 C CYS A 91 2.691 -4.696 7.892 1.00 0.00 C ATOM 1399 O CYS A 91 2.350 -3.604 8.345 1.00 0.00 O ATOM 1400 CB CYS A 91 2.166 -5.453 5.566 1.00 0.00 C ATOM 1401 SG CYS A 91 2.212 -3.778 4.886 1.00 0.00 S ATOM 0 H CYS A 91 0.283 -4.103 7.560 1.00 0.00 H new ATOM 0 HA CYS A 91 1.776 -6.555 7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.155 -5.901 5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.481 -6.057 4.971 1.00 0.00 H new ATOM 0 HG CYS A 91 1.562 -3.748 3.761 1.00 0.00 H new ATOM 1407 N SER A 92 3.889 -5.229 8.114 1.00 0.00 N ATOM 1408 CA SER A 92 4.891 -4.546 8.923 1.00 0.00 C ATOM 1409 C SER A 92 5.914 -3.839 8.039 1.00 0.00 C ATOM 1410 O SER A 92 6.767 -3.098 8.529 1.00 0.00 O ATOM 1411 CB SER A 92 5.599 -5.543 9.844 1.00 0.00 C ATOM 1412 OG SER A 92 6.484 -6.373 9.112 1.00 0.00 O ATOM 0 H SER A 92 4.189 -6.131 7.745 1.00 0.00 H new ATOM 0 HA SER A 92 4.383 -3.797 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.153 -5.003 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.859 -6.158 10.357 1.00 0.00 H new ATOM 0 HG SER A 92 6.925 -7.000 9.723 1.00 0.00 H new ATOM 1418 N ARG A 93 5.820 -4.072 6.734 1.00 0.00 N ATOM 1419 CA ARG A 93 6.737 -3.459 5.781 1.00 0.00 C ATOM 1420 C ARG A 93 5.999 -2.489 4.863 1.00 0.00 C ATOM 1421 O ARG A 93 6.448 -2.206 3.753 1.00 0.00 O ATOM 1422 CB ARG A 93 7.436 -4.535 4.948 1.00 0.00 C ATOM 1423 CG ARG A 93 8.121 -5.603 5.785 1.00 0.00 C ATOM 1424 CD ARG A 93 8.913 -6.568 4.917 1.00 0.00 C ATOM 1425 NE ARG A 93 10.088 -5.933 4.324 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.099 -6.611 3.792 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.079 -7.936 3.777 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.133 -5.962 3.272 1.00 0.00 N ATOM 0 H ARG A 93 5.118 -4.681 6.313 1.00 0.00 H new ATOM 0 HA ARG A 93 7.486 -2.901 6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.704 -5.011 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.176 -4.060 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.787 -5.130 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.374 -6.154 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.227 -7.422 5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.271 -6.954 4.125 1.00 0.00 H new ATOM 0 HE ARG A 93 10.134 -4.914 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.286 -8.439 4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.857 -8.453 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.152 -4.942 3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.909 -6.483 2.864 1.00 0.00 H new ATOM 1442 N ALA A 94 4.862 -1.986 5.334 1.00 0.00 N ATOM 1443 CA ALA A 94 4.062 -1.048 4.556 1.00 0.00 C ATOM 1444 C ALA A 94 4.888 0.165 4.139 1.00 0.00 C ATOM 1445 O ALA A 94 4.759 0.660 3.021 1.00 0.00 O ATOM 1446 CB ALA A 94 2.842 -0.610 5.351 1.00 0.00 C ATOM 0 H ALA A 94 4.475 -2.212 6.250 1.00 0.00 H new ATOM 0 HA ALA A 94 3.729 -1.556 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.254 0.090 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.233 -1.481 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.163 -0.125 6.273 1.00 0.00 H new ATOM 1452 N GLU A 95 5.736 0.637 5.048 1.00 0.00 N ATOM 1453 CA GLU A 95 6.582 1.793 4.774 1.00 0.00 C ATOM 1454 C GLU A 95 7.369 1.598 3.481 1.00 0.00 C ATOM 1455 O GLU A 95 7.347 2.451 2.594 1.00 0.00 O ATOM 1456 CB GLU A 95 7.545 2.036 5.938 1.00 0.00 C ATOM 1457 CG GLU A 95 8.564 3.130 5.666 1.00 0.00 C ATOM 1458 CD GLU A 95 9.834 2.599 5.029 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.085 1.380 5.131 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.576 3.403 4.427 1.00 0.00 O ATOM 0 H GLU A 95 5.855 0.237 5.979 1.00 0.00 H new ATOM 0 HA GLU A 95 5.936 2.663 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.970 2.299 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.071 1.108 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.120 3.880 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.813 3.630 6.602 1.00 0.00 H new ATOM 1467 N GLU A 96 8.063 0.468 3.382 1.00 0.00 N ATOM 1468 CA GLU A 96 8.858 0.161 2.199 1.00 0.00 C ATOM 1469 C GLU A 96 7.998 0.211 0.939 1.00 0.00 C ATOM 1470 O GLU A 96 8.443 0.677 -0.111 1.00 0.00 O ATOM 1471 CB GLU A 96 9.504 -1.219 2.335 1.00 0.00 C ATOM 1472 CG GLU A 96 10.746 -1.225 3.210 1.00 0.00 C ATOM 1473 CD GLU A 96 11.496 -2.542 3.149 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.815 -2.990 2.028 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.763 -3.124 4.221 1.00 0.00 O ATOM 0 H GLU A 96 8.090 -0.249 4.107 1.00 0.00 H new ATOM 0 HA GLU A 96 9.642 0.913 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.774 -1.914 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.766 -1.588 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.410 -0.418 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.460 -1.021 4.242 1.00 0.00 H new ATOM 1482 N ILE A 97 6.766 -0.274 1.051 1.00 0.00 N ATOM 1483 CA ILE A 97 5.845 -0.285 -0.078 1.00 0.00 C ATOM 1484 C ILE A 97 5.434 1.132 -0.467 1.00 0.00 C ATOM 1485 O ILE A 97 5.342 1.461 -1.650 1.00 0.00 O ATOM 1486 CB ILE A 97 4.580 -1.106 0.235 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.956 -2.545 0.595 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.626 -1.082 -0.950 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.831 -3.317 1.249 1.00 0.00 C ATOM 0 H ILE A 97 6.383 -0.664 1.912 1.00 0.00 H new ATOM 0 HA ILE A 97 6.373 -0.749 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 97 4.076 -0.657 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.267 -3.068 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.815 -2.531 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.737 -1.667 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.337 -0.053 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.119 -1.509 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.168 -4.328 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.535 -2.817 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.979 -3.363 0.571 1.00 0.00 H new ATOM 1501 N PHE A 98 5.190 1.967 0.537 1.00 0.00 N ATOM 1502 CA PHE A 98 4.791 3.350 0.301 1.00 0.00 C ATOM 1503 C PHE A 98 5.886 4.114 -0.438 1.00 0.00 C ATOM 1504 O PHE A 98 5.613 4.849 -1.385 1.00 0.00 O ATOM 1505 CB PHE A 98 4.474 4.045 1.627 1.00 0.00 C ATOM 1506 CG PHE A 98 4.259 5.525 1.491 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.333 6.400 1.520 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.983 6.042 1.334 1.00 0.00 C ATOM 1509 CE1 PHE A 98 5.137 7.763 1.396 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.781 7.404 1.209 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.860 8.265 1.239 1.00 0.00 C ATOM 0 H PHE A 98 5.261 1.711 1.522 1.00 0.00 H new ATOM 0 HA PHE A 98 3.896 3.342 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.581 3.594 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.291 3.867 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.334 6.013 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.136 5.373 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.982 8.435 1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.781 7.794 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.706 9.329 1.140 1.00 0.00 H new ATOM 1521 N ASN A 99 7.126 3.934 0.005 1.00 0.00 N ATOM 1522 CA ASN A 99 8.263 4.607 -0.613 1.00 0.00 C ATOM 1523 C ASN A 99 8.525 4.059 -2.012 1.00 0.00 C ATOM 1524 O ASN A 99 8.833 4.810 -2.938 1.00 0.00 O ATOM 1525 CB ASN A 99 9.513 4.442 0.254 1.00 0.00 C ATOM 1526 CG ASN A 99 9.478 5.318 1.491 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.754 6.516 1.425 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.137 4.723 2.628 1.00 0.00 N ATOM 0 H ASN A 99 7.369 3.328 0.789 1.00 0.00 H new ATOM 0 HA ASN A 99 8.024 5.667 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.609 3.398 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.396 4.687 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.096 5.262 3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.916 3.727 2.636 1.00 0.00 H new ATOM 1535 N LEU A 100 8.400 2.744 -2.160 1.00 0.00 N ATOM 1536 CA LEU A 100 8.623 2.094 -3.446 1.00 0.00 C ATOM 1537 C LEU A 100 7.596 2.556 -4.475 1.00 0.00 C ATOM 1538 O LEU A 100 7.940 2.865 -5.617 1.00 0.00 O ATOM 1539 CB LEU A 100 8.557 0.574 -3.290 1.00 0.00 C ATOM 1540 CG LEU A 100 8.651 -0.239 -4.582 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.022 -0.070 -5.219 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.365 -1.708 -4.310 1.00 0.00 C ATOM 0 H LEU A 100 8.145 2.108 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 100 9.615 2.374 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.365 0.262 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.621 0.320 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 100 7.900 0.133 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.071 -0.655 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.189 0.982 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.790 -0.416 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.436 -2.271 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.092 -2.094 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.361 -1.813 -3.898 1.00 0.00 H new ATOM 1554 N LEU A 101 6.334 2.604 -4.063 1.00 0.00 N ATOM 1555 CA LEU A 101 5.256 3.031 -4.948 1.00 0.00 C ATOM 1556 C LEU A 101 5.512 4.437 -5.479 1.00 0.00 C ATOM 1557 O LEU A 101 5.510 4.663 -6.689 1.00 0.00 O ATOM 1558 CB LEU A 101 3.916 2.989 -4.210 1.00 0.00 C ATOM 1559 CG LEU A 101 2.676 3.286 -5.052 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.248 2.050 -5.827 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.540 3.786 -4.171 1.00 0.00 C ATOM 0 H LEU A 101 6.032 2.353 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 101 5.220 2.344 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.800 2.001 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.953 3.706 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 101 2.926 4.069 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.364 2.281 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.057 1.737 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.017 1.245 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.665 3.992 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.291 3.025 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.849 4.699 -3.662 1.00 0.00 H new ATOM 1573 N GLN A 102 5.734 5.378 -4.567 1.00 0.00 N ATOM 1574 CA GLN A 102 5.994 6.762 -4.944 1.00 0.00 C ATOM 1575 C GLN A 102 7.317 6.883 -5.693 1.00 0.00 C ATOM 1576 O GLN A 102 7.514 7.809 -6.480 1.00 0.00 O ATOM 1577 CB GLN A 102 6.013 7.656 -3.704 1.00 0.00 C ATOM 1578 CG GLN A 102 7.194 7.393 -2.782 1.00 0.00 C ATOM 1579 CD GLN A 102 7.511 8.576 -1.889 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.005 9.679 -2.096 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.353 8.352 -0.887 1.00 0.00 N ATOM 0 H GLN A 102 5.739 5.207 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 102 5.192 7.088 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.034 8.699 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.088 7.510 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.980 6.522 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.071 7.150 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.749 7.422 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.604 9.110 -0.252 1.00 0.00 H new ATOM 1590 N ASP A 103 8.221 5.941 -5.443 1.00 0.00 N ATOM 1591 CA ASP A 103 9.526 5.942 -6.094 1.00 0.00 C ATOM 1592 C ASP A 103 9.406 5.503 -7.551 1.00 0.00 C ATOM 1593 O ASP A 103 10.020 6.094 -8.440 1.00 0.00 O ATOM 1594 CB ASP A 103 10.492 5.020 -5.349 1.00 0.00 C ATOM 1595 CG ASP A 103 11.165 5.710 -4.179 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.501 6.532 -3.512 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.356 5.429 -3.931 1.00 0.00 O ATOM 0 H ASP A 103 8.074 5.168 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 103 9.916 6.960 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.950 4.146 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.253 4.660 -6.041 1.00 0.00 H new ATOM 1602 N LEU A 104 8.614 4.464 -7.787 1.00 0.00 N ATOM 1603 CA LEU A 104 8.414 3.945 -9.136 1.00 0.00 C ATOM 1604 C LEU A 104 7.691 4.965 -10.010 1.00 0.00 C ATOM 1605 O LEU A 104 7.917 5.032 -11.218 1.00 0.00 O ATOM 1606 CB LEU A 104 7.617 2.640 -9.089 1.00 0.00 C ATOM 1607 CG LEU A 104 8.310 1.454 -8.417 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.296 0.383 -8.047 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.387 0.881 -9.327 1.00 0.00 C ATOM 0 H LEU A 104 8.099 3.964 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 104 9.393 3.749 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.678 2.829 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.363 2.356 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 104 8.785 1.806 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.807 -0.453 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.561 0.800 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.791 0.033 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.870 0.038 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.934 0.544 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.129 1.650 -9.541 1.00 0.00 H new ATOM 1621 N MET A 105 6.823 5.758 -9.391 1.00 0.00 N ATOM 1622 CA MET A 105 6.070 6.777 -10.112 1.00 0.00 C ATOM 1623 C MET A 105 6.978 7.927 -10.536 1.00 0.00 C ATOM 1624 O MET A 105 6.998 8.315 -11.703 1.00 0.00 O ATOM 1625 CB MET A 105 4.927 7.307 -9.244 1.00 0.00 C ATOM 1626 CG MET A 105 3.879 6.258 -8.912 1.00 0.00 C ATOM 1627 SD MET A 105 2.975 6.635 -7.398 1.00 0.00 S ATOM 1628 CE MET A 105 1.296 6.719 -8.018 1.00 0.00 C ATOM 0 H MET A 105 6.624 5.714 -8.392 1.00 0.00 H new ATOM 0 HA MET A 105 5.653 6.318 -11.008 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.340 7.703 -8.316 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.446 8.139 -9.759 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.175 6.178 -9.741 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.363 5.286 -8.810 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.648 7.150 -7.255 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.269 7.342 -8.912 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.949 5.716 -8.265 1.00 0.00 H new ATOM 1638 N GLN A 106 7.728 8.466 -9.580 1.00 0.00 N ATOM 1639 CA GLN A 106 8.637 9.572 -9.855 1.00 0.00 C ATOM 1640 C GLN A 106 9.730 9.148 -10.831 1.00 0.00 C ATOM 1641 O GLN A 106 10.119 9.914 -11.714 1.00 0.00 O ATOM 1642 CB GLN A 106 9.265 10.079 -8.556 1.00 0.00 C ATOM 1643 CG GLN A 106 10.055 9.018 -7.807 1.00 0.00 C ATOM 1644 CD GLN A 106 10.668 9.543 -6.524 1.00 0.00 C ATOM 1645 OE1 GLN A 106 10.364 9.059 -5.434 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.537 10.540 -6.648 1.00 0.00 N ATOM 0 H GLN A 106 7.724 8.155 -8.609 1.00 0.00 H new ATOM 0 HA GLN A 106 8.061 10.378 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.924 10.917 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.477 10.460 -7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.399 8.179 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.845 8.636 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.760 10.911 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.982 10.935 -5.819 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.157 -6.186 0.154 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.975 -5.213 0.869 1.00 0.00 C ATOM 2024 C PHE A 136 -12.844 -3.828 0.244 1.00 0.00 C ATOM 2025 O PHE A 136 -11.825 -3.504 -0.367 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.569 -5.159 2.344 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.414 -4.227 3.164 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.622 -4.650 3.695 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -12.999 -2.927 3.405 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.401 -3.793 4.449 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -13.774 -2.066 4.159 1.00 0.00 C ATOM 2032 CZ PHE A 136 -14.976 -2.500 4.683 1.00 0.00 C ATOM 0 HA PHE A 136 -14.016 -5.528 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.633 -6.162 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.526 -4.849 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -14.958 -5.661 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.059 -2.583 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -16.342 -4.134 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.440 -1.055 4.338 1.00 0.00 H new ATOM 0 HZ PHE A 136 -15.582 -1.830 5.274 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.883 -3.014 0.400 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.886 -1.664 -0.151 1.00 0.00 C ATOM 2044 C ARG A 137 -14.101 -0.628 0.949 1.00 0.00 C ATOM 2045 O ARG A 137 -15.200 -0.501 1.490 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.975 -1.527 -1.216 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.675 -2.288 -2.496 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.219 -3.707 -2.441 1.00 0.00 C ATOM 2049 NE ARG A 137 -16.677 -3.733 -2.374 1.00 0.00 N ATOM 2050 CZ ARG A 137 -17.464 -3.626 -3.439 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -16.935 -3.489 -4.647 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -18.783 -3.658 -3.297 1.00 0.00 N ATOM 0 H ARG A 137 -14.734 -3.266 0.903 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.914 -1.484 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.920 -1.883 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.108 -0.472 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.113 -1.762 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.598 -2.316 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.887 -4.257 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.807 -4.219 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 137 -17.116 -3.839 -1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.922 -3.466 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.541 -3.407 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -19.194 -3.765 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -19.386 -3.576 -4.115 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.045 0.109 1.274 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.118 1.134 2.310 1.00 0.00 C ATOM 2068 C LEU A 138 -14.042 2.271 1.887 1.00 0.00 C ATOM 2069 O LEU A 138 -14.095 2.637 0.713 1.00 0.00 O ATOM 2070 CB LEU A 138 -11.722 1.682 2.612 1.00 0.00 C ATOM 2071 CG LEU A 138 -10.672 0.651 3.028 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.285 1.094 2.588 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -10.710 0.429 4.533 1.00 0.00 C ATOM 0 H LEU A 138 -12.129 0.016 0.836 1.00 0.00 H new ATOM 0 HA LEU A 138 -13.525 0.676 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.359 2.204 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -11.809 2.424 3.406 1.00 0.00 H new ATOM 0 HG LEU A 138 -10.903 -0.293 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.551 0.348 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.264 1.202 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.044 2.050 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -9.956 -0.308 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -10.505 1.369 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -11.696 0.066 4.822 1.00 0.00 H new ATOM 2085 N ARG A 139 -14.768 2.827 2.852 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.690 3.923 2.580 1.00 0.00 C ATOM 2087 C ARG A 139 -14.930 5.187 2.189 1.00 0.00 C ATOM 2088 O ARG A 139 -15.249 5.831 1.188 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.563 4.199 3.805 1.00 0.00 C ATOM 2090 CG ARG A 139 -17.795 3.312 3.887 1.00 0.00 C ATOM 2091 CD ARG A 139 -18.953 3.892 3.092 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.215 3.223 3.396 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.507 1.989 3.000 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -19.632 1.293 2.288 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -21.677 1.449 3.317 1.00 0.00 N ATOM 0 H ARG A 139 -14.735 2.536 3.829 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.328 3.630 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -15.965 4.060 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -16.877 5.243 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.555 2.318 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.091 3.194 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.045 4.956 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -18.742 3.802 2.026 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.910 3.731 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.732 1.705 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.859 0.346 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -22.353 1.981 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -21.901 0.501 3.013 1.00 0.00 H new ATOM 2109 N HIS A 140 -13.924 5.538 2.984 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.119 6.725 2.720 1.00 0.00 C ATOM 2111 C HIS A 140 -11.632 6.385 2.726 1.00 0.00 C ATOM 2112 O HIS A 140 -10.997 6.313 1.674 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.411 7.806 3.761 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.639 8.610 3.462 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -14.788 9.356 2.311 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -15.780 8.782 4.170 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -15.967 9.952 2.326 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.588 9.620 3.443 1.00 0.00 N ATOM 0 H HIS A 140 -13.647 5.017 3.816 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.384 7.101 1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.523 7.337 4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.554 8.477 3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.011 8.342 5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -16.357 10.601 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.518 9.935 3.721 1.00 0.00 H new ATOM 2127 N PHE A 141 -11.082 6.178 3.918 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.669 5.847 4.060 1.00 0.00 C ATOM 2129 C PHE A 141 -9.326 5.542 5.516 1.00 0.00 C ATOM 2130 O PHE A 141 -9.577 6.339 6.420 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.800 6.999 3.551 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.490 6.550 2.970 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.455 5.785 1.815 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.293 6.894 3.577 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.251 5.370 1.278 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.086 6.482 3.045 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.065 5.720 1.893 1.00 0.00 C ATOM 0 H PHE A 141 -11.593 6.234 4.799 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.468 4.958 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.353 7.554 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.607 7.688 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.379 5.510 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.303 7.491 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.238 4.773 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.160 6.755 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.123 5.399 1.474 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.738 4.359 5.748 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.348 3.919 7.091 1.00 0.00 C ATOM 2149 C PRO A 142 -7.176 4.721 7.646 1.00 0.00 C ATOM 2150 O PRO A 142 -7.223 5.207 8.777 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.945 2.457 6.883 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.538 2.376 5.452 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.409 3.359 4.718 1.00 0.00 C ATOM 0 HA PRO A 142 -9.153 4.055 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.126 2.174 7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.775 1.783 7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.483 2.623 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.675 1.367 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.885 3.808 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.305 2.883 4.320 1.00 0.00 H new ATOM 2161 N CYS A 143 -6.126 4.857 6.844 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.940 5.600 7.255 1.00 0.00 C ATOM 2163 C CYS A 143 -5.226 7.098 7.301 1.00 0.00 C ATOM 2164 O CYS A 143 -6.264 7.557 6.825 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.780 5.320 6.300 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.774 3.645 5.617 1.00 0.00 S ATOM 0 H CYS A 143 -6.072 4.462 5.905 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.664 5.270 8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.819 6.036 5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.841 5.490 6.827 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.757 3.505 4.819 1.00 0.00 H new ATOM 2172 N GLY A 144 -4.299 7.855 7.878 1.00 0.00 N ATOM 2173 CA GLY A 144 -4.471 9.293 7.977 1.00 0.00 C ATOM 2174 C GLY A 144 -3.512 10.055 7.084 1.00 0.00 C ATOM 2175 O GLY A 144 -3.864 11.092 6.526 1.00 0.00 O ATOM 0 H GLY A 144 -3.431 7.499 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -5.495 9.552 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -4.323 9.603 9.011 1.00 0.00 H new ATOM 2179 N ASN A 145 -2.294 9.538 6.950 1.00 0.00 N ATOM 2180 CA ASN A 145 -1.280 10.178 6.120 1.00 0.00 C ATOM 2181 C ASN A 145 -1.326 9.641 4.693 1.00 0.00 C ATOM 2182 O ASN A 145 -0.924 8.507 4.431 1.00 0.00 O ATOM 2183 CB ASN A 145 0.111 9.956 6.716 1.00 0.00 C ATOM 2184 CG ASN A 145 0.094 9.930 8.232 1.00 0.00 C ATOM 2185 OD1 ASN A 145 -0.039 10.968 8.880 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.228 8.739 8.804 1.00 0.00 N ATOM 0 H ASN A 145 -1.986 8.679 7.405 1.00 0.00 H new ATOM 0 HA ASN A 145 -1.490 11.247 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.517 9.015 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 145 0.779 10.748 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.223 8.658 9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.336 7.905 8.227 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.820 10.463 3.772 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.917 10.071 2.371 1.00 0.00 C ATOM 2195 C VAL A 146 -0.988 10.909 1.500 1.00 0.00 C ATOM 2196 O VAL A 146 -0.646 12.038 1.848 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.359 10.213 1.848 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.444 9.781 0.392 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.319 9.406 2.708 1.00 0.00 C ATOM 0 H VAL A 146 -2.159 11.404 3.971 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.618 9.024 2.314 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.647 11.263 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.470 9.888 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.786 10.406 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.137 8.739 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.333 9.518 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.035 8.354 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.278 9.767 3.736 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.583 10.347 0.366 1.00 0.00 N ATOM 2210 CA ASN A 147 0.308 11.043 -0.556 1.00 0.00 C ATOM 2211 C ASN A 147 -0.317 11.144 -1.944 1.00 0.00 C ATOM 2212 O ASN A 147 -1.325 10.498 -2.231 1.00 0.00 O ATOM 2213 CB ASN A 147 1.654 10.319 -0.641 1.00 0.00 C ATOM 2214 CG ASN A 147 2.755 11.210 -1.182 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.568 12.415 -1.353 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.913 10.619 -1.455 1.00 0.00 N ATOM 0 H ASN A 147 -0.857 9.412 0.063 1.00 0.00 H new ATOM 0 HA ASN A 147 0.469 12.052 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.934 9.960 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.552 9.442 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.691 11.167 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.024 9.617 -1.298 1.00 0.00 H new ATOM 2223 N TYR A 148 0.289 11.957 -2.802 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.208 12.145 -4.160 1.00 0.00 C ATOM 2225 C TYR A 148 0.839 11.724 -5.186 1.00 0.00 C ATOM 2226 O TYR A 148 1.986 12.167 -5.137 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.602 13.606 -4.384 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.390 14.203 -3.241 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.403 13.484 -2.619 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.122 15.487 -2.783 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.127 14.026 -1.574 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -1.840 16.037 -1.738 1.00 0.00 C ATOM 2233 CZ TYR A 148 -2.841 15.303 -1.138 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.559 15.846 -0.097 1.00 0.00 O ATOM 0 H TYR A 148 1.126 12.497 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.089 11.516 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.301 14.197 -4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.192 13.678 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -2.629 12.484 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.339 16.065 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -3.912 13.453 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.618 17.036 -1.393 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.233 16.751 0.088 1.00 0.00 H new ATOM 2244 N GLY A 149 0.434 10.866 -6.118 1.00 0.00 N ATOM 2245 CA GLY A 149 1.348 10.400 -7.144 1.00 0.00 C ATOM 2246 C GLY A 149 1.287 11.244 -8.402 1.00 0.00 C ATOM 2247 O GLY A 149 1.827 12.349 -8.443 1.00 0.00 O ATOM 0 H GLY A 149 -0.510 10.486 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.365 10.411 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.113 9.365 -7.393 1.00 0.00 H new