USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 Single : A 7 THR OG1 : rot -25:sc= 0.629 USER MOD Single : A 9 CYS SG : rot 180:sc= 0.045 USER MOD Single : A 13 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.58) USER MOD Single : A 14 ASN : amide:sc= -4.52! C(o=-4.5!,f=-7.4!) USER MOD Single : A 32 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.36) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -13.4! C(o=-13!,f=-9.3!) USER MOD Single : A 44 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -4.44! (180deg=-5.41!) USER MOD Single : A 100 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 102 THR OG1 : rot -84:sc= 1.06 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.782 1.528 12.496 1.00 0.00 N ATOM 91 CA THR A 7 16.871 1.807 11.393 1.00 0.00 C ATOM 92 C THR A 7 16.844 0.640 10.413 1.00 0.00 C ATOM 93 O THR A 7 17.799 -0.133 10.332 1.00 0.00 O ATOM 94 CB THR A 7 17.277 3.094 10.686 1.00 0.00 C ATOM 95 OG1 THR A 7 18.671 3.316 10.798 1.00 0.00 O ATOM 96 CG2 THR A 7 16.567 4.303 11.244 1.00 0.00 C ATOM 0 HA THR A 7 15.866 1.936 11.796 1.00 0.00 H new ATOM 0 HB THR A 7 16.994 2.964 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.012 2.857 11.594 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.890 5.195 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.490 4.179 11.127 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.807 4.410 12.302 1.00 0.00 H new ATOM 104 N PHE A 8 15.737 0.496 9.690 1.00 0.00 N ATOM 105 CA PHE A 8 15.595 -0.607 8.746 1.00 0.00 C ATOM 106 C PHE A 8 14.813 -0.213 7.502 1.00 0.00 C ATOM 107 O PHE A 8 13.837 0.533 7.573 1.00 0.00 O ATOM 108 CB PHE A 8 14.884 -1.777 9.417 1.00 0.00 C ATOM 109 CG PHE A 8 13.825 -1.360 10.393 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.164 -0.769 11.604 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.489 -1.579 10.108 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.186 -0.408 12.510 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.510 -1.216 11.011 1.00 0.00 C ATOM 114 CZ PHE A 8 11.858 -0.634 12.214 1.00 0.00 C ATOM 0 H PHE A 8 14.933 1.122 9.739 1.00 0.00 H new ATOM 0 HA PHE A 8 16.602 -0.890 8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.431 -2.404 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.622 -2.390 9.935 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.203 -0.590 11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.210 -2.038 9.171 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.461 0.050 13.449 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.470 -1.388 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.091 -0.356 12.922 1.00 0.00 H new ATOM 124 N CYS A 9 15.230 -0.763 6.367 1.00 0.00 N ATOM 125 CA CYS A 9 14.554 -0.518 5.101 1.00 0.00 C ATOM 126 C CYS A 9 13.460 -1.569 4.926 1.00 0.00 C ATOM 127 O CYS A 9 13.727 -2.768 5.017 1.00 0.00 O ATOM 128 CB CYS A 9 15.545 -0.577 3.928 1.00 0.00 C ATOM 129 SG CYS A 9 17.272 -0.260 4.377 1.00 0.00 S ATOM 0 H CYS A 9 16.036 -1.384 6.299 1.00 0.00 H new ATOM 0 HA CYS A 9 14.116 0.480 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.479 -1.561 3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.240 0.151 3.176 1.00 0.00 H new ATOM 0 HG CYS A 9 18.018 -0.337 3.315 1.00 0.00 H new ATOM 135 N VAL A 10 12.227 -1.127 4.708 1.00 0.00 N ATOM 136 CA VAL A 10 11.105 -2.050 4.562 1.00 0.00 C ATOM 137 C VAL A 10 10.576 -2.083 3.137 1.00 0.00 C ATOM 138 O VAL A 10 10.626 -1.094 2.415 1.00 0.00 O ATOM 139 CB VAL A 10 9.955 -1.690 5.535 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.719 -1.180 4.799 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.600 -2.882 6.404 1.00 0.00 C ATOM 0 H VAL A 10 11.978 -0.141 4.629 1.00 0.00 H new ATOM 0 HA VAL A 10 11.484 -3.042 4.808 1.00 0.00 H new ATOM 0 HB VAL A 10 10.312 -0.880 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.939 -0.940 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.976 -0.285 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.358 -1.950 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.790 -2.610 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.282 -3.711 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.473 -3.182 6.984 1.00 0.00 H new ATOM 151 N VAL A 11 10.063 -3.234 2.743 1.00 0.00 N ATOM 152 CA VAL A 11 9.522 -3.396 1.408 1.00 0.00 C ATOM 153 C VAL A 11 8.226 -4.201 1.425 1.00 0.00 C ATOM 154 O VAL A 11 8.170 -5.301 1.974 1.00 0.00 O ATOM 155 CB VAL A 11 10.556 -4.062 0.491 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.005 -5.390 1.073 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.014 -4.230 -0.922 1.00 0.00 C ATOM 0 H VAL A 11 10.010 -4.068 3.328 1.00 0.00 H new ATOM 0 HA VAL A 11 9.291 -2.405 1.018 1.00 0.00 H new ATOM 0 HB VAL A 11 11.426 -3.409 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.738 -5.849 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.455 -5.225 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.145 -6.052 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.770 -4.705 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.120 -4.853 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.763 -3.253 -1.334 1.00 0.00 H new ATOM 167 N VAL A 12 7.183 -3.633 0.826 1.00 0.00 N ATOM 168 CA VAL A 12 5.878 -4.281 0.776 1.00 0.00 C ATOM 169 C VAL A 12 5.700 -5.082 -0.507 1.00 0.00 C ATOM 170 O VAL A 12 5.464 -4.518 -1.574 1.00 0.00 O ATOM 171 CB VAL A 12 4.742 -3.246 0.871 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.703 -2.630 2.256 1.00 0.00 C ATOM 173 CG2 VAL A 12 4.906 -2.169 -0.193 1.00 0.00 C ATOM 0 H VAL A 12 7.218 -2.723 0.367 1.00 0.00 H new ATOM 0 HA VAL A 12 5.832 -4.957 1.630 1.00 0.00 H new ATOM 0 HB VAL A 12 3.795 -3.756 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.895 -1.900 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.534 -3.411 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.652 -2.135 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.093 -1.448 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.859 -1.660 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.883 -2.628 -1.182 1.00 0.00 H new ATOM 183 N GLN A 13 5.796 -6.400 -0.394 1.00 0.00 N ATOM 184 CA GLN A 13 5.631 -7.274 -1.547 1.00 0.00 C ATOM 185 C GLN A 13 4.167 -7.671 -1.709 1.00 0.00 C ATOM 186 O GLN A 13 3.643 -8.476 -0.938 1.00 0.00 O ATOM 187 CB GLN A 13 6.505 -8.521 -1.403 1.00 0.00 C ATOM 188 CG GLN A 13 7.349 -8.815 -2.632 1.00 0.00 C ATOM 189 CD GLN A 13 7.273 -10.268 -3.059 1.00 0.00 C ATOM 190 OE1 GLN A 13 6.206 -10.880 -3.033 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.410 -10.828 -3.456 1.00 0.00 N ATOM 0 H GLN A 13 5.987 -6.886 0.482 1.00 0.00 H new ATOM 0 HA GLN A 13 5.945 -6.731 -2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.162 -8.397 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.867 -9.380 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.019 -8.181 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.387 -8.555 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.272 -10.283 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.421 -11.803 -3.755 1.00 0.00 H new ATOM 200 N ASN A 14 3.510 -7.097 -2.711 1.00 0.00 N ATOM 201 CA ASN A 14 2.104 -7.388 -2.967 1.00 0.00 C ATOM 202 C ASN A 14 1.944 -8.294 -4.181 1.00 0.00 C ATOM 203 O ASN A 14 2.710 -8.211 -5.141 1.00 0.00 O ATOM 204 CB ASN A 14 1.321 -6.091 -3.182 1.00 0.00 C ATOM 205 CG ASN A 14 0.068 -6.019 -2.333 1.00 0.00 C ATOM 206 OD1 ASN A 14 0.100 -6.287 -1.133 1.00 0.00 O ATOM 207 ND2 ASN A 14 -1.044 -5.653 -2.960 1.00 0.00 N ATOM 0 H ASN A 14 3.928 -6.428 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 14 1.706 -7.906 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.962 -5.241 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.048 -6.006 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.921 -5.584 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.021 -5.441 -3.957 1.00 0.00 H new ATOM 482 N ASP A 31 6.727 -4.595 -5.477 1.00 0.00 N ATOM 483 CA ASP A 31 7.196 -4.231 -4.147 1.00 0.00 C ATOM 484 C ASP A 31 7.981 -2.924 -4.175 1.00 0.00 C ATOM 485 O ASP A 31 8.715 -2.647 -5.124 1.00 0.00 O ATOM 486 CB ASP A 31 8.067 -5.347 -3.567 1.00 0.00 C ATOM 487 CG ASP A 31 9.320 -5.588 -4.384 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.348 -5.178 -5.564 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.274 -6.188 -3.845 1.00 0.00 O ATOM 0 HA ASP A 31 6.321 -4.091 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.347 -5.091 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.486 -6.268 -3.517 1.00 0.00 H new ATOM 494 N ASN A 32 7.827 -2.128 -3.121 1.00 0.00 N ATOM 495 CA ASN A 32 8.527 -0.852 -3.014 1.00 0.00 C ATOM 496 C ASN A 32 9.429 -0.852 -1.788 1.00 0.00 C ATOM 497 O ASN A 32 9.035 -1.328 -0.726 1.00 0.00 O ATOM 498 CB ASN A 32 7.524 0.301 -2.931 1.00 0.00 C ATOM 499 CG ASN A 32 7.292 0.963 -4.275 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.237 1.271 -5.000 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.027 1.188 -4.613 1.00 0.00 N ATOM 0 H ASN A 32 7.223 -2.344 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 32 9.141 -0.715 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.576 -0.073 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.887 1.044 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.809 1.633 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.274 0.916 -3.981 1.00 0.00 H new ATOM 508 N SER A 33 10.640 -0.324 -1.933 1.00 0.00 N ATOM 509 CA SER A 33 11.581 -0.285 -0.821 1.00 0.00 C ATOM 510 C SER A 33 11.389 0.961 0.027 1.00 0.00 C ATOM 511 O SER A 33 11.064 2.036 -0.478 1.00 0.00 O ATOM 512 CB SER A 33 13.024 -0.338 -1.315 1.00 0.00 C ATOM 513 OG SER A 33 13.153 0.264 -2.592 1.00 0.00 O ATOM 0 H SER A 33 10.990 0.079 -2.802 1.00 0.00 H new ATOM 0 HA SER A 33 11.380 -1.164 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.673 0.171 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.356 -1.375 -1.364 1.00 0.00 H new ATOM 0 HG SER A 33 14.088 0.217 -2.883 1.00 0.00 H new ATOM 519 N LEU A 34 11.598 0.797 1.322 1.00 0.00 N ATOM 520 CA LEU A 34 11.461 1.888 2.273 1.00 0.00 C ATOM 521 C LEU A 34 12.821 2.204 2.905 1.00 0.00 C ATOM 522 O LEU A 34 13.617 1.304 3.150 1.00 0.00 O ATOM 523 CB LEU A 34 10.418 1.502 3.342 1.00 0.00 C ATOM 524 CG LEU A 34 10.346 2.382 4.578 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.393 1.919 5.567 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.511 3.857 4.237 1.00 0.00 C ATOM 0 H LEU A 34 11.866 -0.092 1.743 1.00 0.00 H new ATOM 0 HA LEU A 34 11.115 2.787 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.435 1.497 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.623 0.481 3.663 1.00 0.00 H new ATOM 0 HG LEU A 34 9.357 2.285 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.352 2.543 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.201 0.881 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.381 1.998 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.453 4.450 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.480 4.015 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.719 4.163 3.554 1.00 0.00 H new ATOM 538 N ALA A 35 13.080 3.484 3.156 1.00 0.00 N ATOM 539 CA ALA A 35 14.336 3.927 3.746 1.00 0.00 C ATOM 540 C ALA A 35 14.432 3.508 5.203 1.00 0.00 C ATOM 541 O ALA A 35 13.433 3.234 5.849 1.00 0.00 O ATOM 542 CB ALA A 35 14.479 5.429 3.622 1.00 0.00 C ATOM 0 H ALA A 35 12.426 4.241 2.956 1.00 0.00 H new ATOM 0 HA ALA A 35 15.150 3.451 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.423 5.743 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.464 5.710 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.653 5.917 4.140 1.00 0.00 H new ATOM 548 N ALA A 36 15.645 3.428 5.708 1.00 0.00 N ATOM 549 CA ALA A 36 15.857 2.983 7.078 1.00 0.00 C ATOM 550 C ALA A 36 15.360 4.006 8.094 1.00 0.00 C ATOM 551 O ALA A 36 15.912 5.097 8.236 1.00 0.00 O ATOM 552 CB ALA A 36 17.331 2.685 7.303 1.00 0.00 C ATOM 0 H ALA A 36 16.497 3.662 5.198 1.00 0.00 H new ATOM 0 HA ALA A 36 15.276 2.073 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.482 2.353 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.653 1.902 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.916 3.587 7.124 1.00 0.00 H new ATOM 558 N VAL A 37 14.287 3.617 8.790 1.00 0.00 N ATOM 559 CA VAL A 37 13.651 4.453 9.805 1.00 0.00 C ATOM 560 C VAL A 37 13.453 3.664 11.102 1.00 0.00 C ATOM 561 O VAL A 37 13.821 2.492 11.182 1.00 0.00 O ATOM 562 CB VAL A 37 12.282 4.978 9.312 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.869 6.229 10.074 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.317 5.249 7.814 1.00 0.00 C ATOM 0 H VAL A 37 13.836 2.711 8.663 1.00 0.00 H new ATOM 0 HA VAL A 37 14.308 5.302 9.994 1.00 0.00 H new ATOM 0 HB VAL A 37 11.537 4.205 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.903 6.576 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.792 5.999 11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.616 7.009 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.344 5.617 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.080 5.997 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.552 4.327 7.283 1.00 0.00 H new ATOM 574 N SER A 38 12.886 4.309 12.122 1.00 0.00 N ATOM 575 CA SER A 38 12.668 3.655 13.411 1.00 0.00 C ATOM 576 C SER A 38 11.200 3.279 13.634 1.00 0.00 C ATOM 577 O SER A 38 10.513 3.884 14.457 1.00 0.00 O ATOM 578 CB SER A 38 13.148 4.564 14.545 1.00 0.00 C ATOM 579 OG SER A 38 14.466 4.227 14.944 1.00 0.00 O ATOM 0 H SER A 38 12.571 5.278 12.081 1.00 0.00 H new ATOM 0 HA SER A 38 13.244 2.730 13.406 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.118 5.604 14.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.473 4.476 15.396 1.00 0.00 H new ATOM 0 HG SER A 38 14.751 4.823 15.668 1.00 0.00 H new ATOM 585 N GLU A 39 10.735 2.254 12.917 1.00 0.00 N ATOM 586 CA GLU A 39 9.358 1.761 13.052 1.00 0.00 C ATOM 587 C GLU A 39 8.331 2.630 12.316 1.00 0.00 C ATOM 588 O GLU A 39 7.202 2.195 12.088 1.00 0.00 O ATOM 589 CB GLU A 39 8.971 1.632 14.524 1.00 0.00 C ATOM 590 CG GLU A 39 8.462 0.247 14.883 1.00 0.00 C ATOM 591 CD GLU A 39 7.424 0.273 15.988 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.234 0.492 15.679 1.00 0.00 O ATOM 593 OE2 GLU A 39 7.801 0.074 17.162 1.00 0.00 O ATOM 0 H GLU A 39 11.294 1.745 12.232 1.00 0.00 H new ATOM 0 HA GLU A 39 9.341 0.778 12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.836 1.867 15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.202 2.368 14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.031 -0.218 13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.302 -0.375 15.193 1.00 0.00 H new ATOM 600 N SER A 40 8.710 3.850 11.956 1.00 0.00 N ATOM 601 CA SER A 40 7.798 4.756 11.259 1.00 0.00 C ATOM 602 C SER A 40 7.374 4.201 9.897 1.00 0.00 C ATOM 603 O SER A 40 6.352 4.608 9.344 1.00 0.00 O ATOM 604 CB SER A 40 8.454 6.126 11.081 1.00 0.00 C ATOM 605 OG SER A 40 7.484 7.159 11.064 1.00 0.00 O ATOM 0 H SER A 40 9.637 4.236 12.133 1.00 0.00 H new ATOM 0 HA SER A 40 6.902 4.856 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.162 6.301 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.023 6.142 10.151 1.00 0.00 H new ATOM 0 HG SER A 40 7.930 8.024 10.951 1.00 0.00 H new ATOM 611 N GLN A 41 8.168 3.283 9.356 1.00 0.00 N ATOM 612 CA GLN A 41 7.876 2.686 8.049 1.00 0.00 C ATOM 613 C GLN A 41 6.911 1.515 8.155 1.00 0.00 C ATOM 614 O GLN A 41 6.213 1.188 7.195 1.00 0.00 O ATOM 615 CB GLN A 41 9.153 2.209 7.371 1.00 0.00 C ATOM 616 CG GLN A 41 10.189 1.619 8.315 1.00 0.00 C ATOM 617 CD GLN A 41 9.638 0.472 9.124 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.271 -0.571 8.583 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.574 0.663 10.428 1.00 0.00 N ATOM 0 H GLN A 41 9.018 2.934 9.798 1.00 0.00 H new ATOM 0 HA GLN A 41 7.409 3.469 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.894 1.460 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.601 3.048 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.048 1.275 7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.548 2.397 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.890 1.545 10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.208 -0.072 11.034 1.00 0.00 H new ATOM 628 N LEU A 42 6.888 0.874 9.310 1.00 0.00 N ATOM 629 CA LEU A 42 6.022 -0.273 9.516 1.00 0.00 C ATOM 630 C LEU A 42 4.578 0.159 9.675 1.00 0.00 C ATOM 631 O LEU A 42 3.695 -0.308 8.957 1.00 0.00 O ATOM 632 CB LEU A 42 6.475 -1.065 10.743 1.00 0.00 C ATOM 633 CG LEU A 42 5.906 -2.477 10.841 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.751 -3.448 10.027 1.00 0.00 C ATOM 635 CD2 LEU A 42 5.834 -2.918 12.295 1.00 0.00 C ATOM 0 H LEU A 42 7.457 1.127 10.118 1.00 0.00 H new ATOM 0 HA LEU A 42 6.091 -0.913 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.563 -1.127 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.193 -0.512 11.639 1.00 0.00 H new ATOM 0 HG LEU A 42 4.896 -2.475 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.332 -4.451 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.755 -3.139 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.772 -3.450 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.426 -3.927 12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.834 -2.907 12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.190 -2.236 12.851 1.00 0.00 H new ATOM 647 N ALA A 43 4.339 1.056 10.618 1.00 0.00 N ATOM 648 CA ALA A 43 2.998 1.546 10.865 1.00 0.00 C ATOM 649 C ALA A 43 2.454 2.298 9.654 1.00 0.00 C ATOM 650 O ALA A 43 1.242 2.443 9.499 1.00 0.00 O ATOM 651 CB ALA A 43 2.984 2.435 12.095 1.00 0.00 C ATOM 0 H ALA A 43 5.056 1.457 11.222 1.00 0.00 H new ATOM 0 HA ALA A 43 2.350 0.688 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.971 2.797 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.320 1.864 12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.651 3.283 11.939 1.00 0.00 H new ATOM 657 N GLN A 44 3.353 2.775 8.792 1.00 0.00 N ATOM 658 CA GLN A 44 2.940 3.506 7.600 1.00 0.00 C ATOM 659 C GLN A 44 2.403 2.548 6.541 1.00 0.00 C ATOM 660 O GLN A 44 1.336 2.772 5.970 1.00 0.00 O ATOM 661 CB GLN A 44 4.115 4.311 7.036 1.00 0.00 C ATOM 662 CG GLN A 44 3.992 5.808 7.268 1.00 0.00 C ATOM 663 CD GLN A 44 3.619 6.566 6.009 1.00 0.00 C ATOM 664 OE1 GLN A 44 3.918 6.131 4.898 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.962 7.708 6.178 1.00 0.00 N ATOM 0 H GLN A 44 4.362 2.668 8.898 1.00 0.00 H new ATOM 0 HA GLN A 44 2.143 4.195 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.040 3.956 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.193 4.123 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.239 5.992 8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.938 6.191 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.734 8.031 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.685 8.262 5.367 1.00 0.00 H new ATOM 674 N LEU A 45 3.154 1.483 6.284 1.00 0.00 N ATOM 675 CA LEU A 45 2.762 0.487 5.294 1.00 0.00 C ATOM 676 C LEU A 45 1.708 -0.463 5.852 1.00 0.00 C ATOM 677 O LEU A 45 0.862 -0.971 5.116 1.00 0.00 O ATOM 678 CB LEU A 45 3.991 -0.294 4.827 1.00 0.00 C ATOM 679 CG LEU A 45 4.977 0.525 3.995 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.140 -0.333 3.518 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.261 1.169 2.820 1.00 0.00 C ATOM 0 H LEU A 45 4.040 1.287 6.749 1.00 0.00 H new ATOM 0 HA LEU A 45 2.323 1.006 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.510 -0.688 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.661 -1.150 4.239 1.00 0.00 H new ATOM 0 HG LEU A 45 5.388 1.312 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.825 0.277 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.668 -0.742 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.761 -1.150 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.973 1.750 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.822 0.394 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.474 1.826 3.189 1.00 0.00 H new ATOM 692 N LYS A 46 1.763 -0.697 7.158 1.00 0.00 N ATOM 693 CA LYS A 46 0.810 -1.585 7.819 1.00 0.00 C ATOM 694 C LYS A 46 -0.540 -0.899 8.025 1.00 0.00 C ATOM 695 O LYS A 46 -1.522 -1.543 8.395 1.00 0.00 O ATOM 696 CB LYS A 46 1.359 -2.053 9.168 1.00 0.00 C ATOM 697 CG LYS A 46 0.895 -3.446 9.565 1.00 0.00 C ATOM 698 CD LYS A 46 0.553 -3.521 11.045 1.00 0.00 C ATOM 699 CE LYS A 46 1.044 -4.819 11.666 1.00 0.00 C ATOM 700 NZ LYS A 46 0.029 -5.419 12.576 1.00 0.00 N ATOM 0 H LYS A 46 2.457 -0.285 7.782 1.00 0.00 H new ATOM 0 HA LYS A 46 0.663 -2.448 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.448 -2.039 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.056 -1.345 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.021 -3.721 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.676 -4.170 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.001 -2.675 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.526 -3.440 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.288 -5.529 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.963 -4.631 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.403 -6.302 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.186 -4.752 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.839 -5.623 12.041 1.00 0.00 H new ATOM 714 N ALA A 47 -0.587 0.411 7.787 1.00 0.00 N ATOM 715 CA ALA A 47 -1.820 1.179 7.952 1.00 0.00 C ATOM 716 C ALA A 47 -3.003 0.486 7.281 1.00 0.00 C ATOM 717 O ALA A 47 -4.070 0.341 7.878 1.00 0.00 O ATOM 718 CB ALA A 47 -1.643 2.582 7.393 1.00 0.00 C ATOM 0 H ALA A 47 0.214 0.962 7.479 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.034 1.245 9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.568 3.144 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.835 3.086 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.399 2.523 6.332 1.00 0.00 H new ATOM 724 N ASP A 48 -2.807 0.062 6.037 1.00 0.00 N ATOM 725 CA ASP A 48 -3.860 -0.613 5.287 1.00 0.00 C ATOM 726 C ASP A 48 -3.779 -2.127 5.478 1.00 0.00 C ATOM 727 O ASP A 48 -2.748 -2.740 5.199 1.00 0.00 O ATOM 728 CB ASP A 48 -3.757 -0.270 3.801 1.00 0.00 C ATOM 729 CG ASP A 48 -4.281 1.119 3.491 1.00 0.00 C ATOM 730 OD1 ASP A 48 -3.737 2.096 4.046 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.237 1.229 2.695 1.00 0.00 O ATOM 0 H ASP A 48 -1.930 0.174 5.528 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.821 -0.267 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.716 -0.341 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.317 -1.004 3.222 1.00 0.00 H new ATOM 736 N PRO A 49 -4.868 -2.757 5.958 1.00 0.00 N ATOM 737 CA PRO A 49 -4.907 -4.203 6.183 1.00 0.00 C ATOM 738 C PRO A 49 -5.168 -4.986 4.899 1.00 0.00 C ATOM 739 O PRO A 49 -6.106 -5.778 4.824 1.00 0.00 O ATOM 740 CB PRO A 49 -6.075 -4.360 7.153 1.00 0.00 C ATOM 741 CG PRO A 49 -7.008 -3.257 6.791 1.00 0.00 C ATOM 742 CD PRO A 49 -6.146 -2.111 6.323 1.00 0.00 C ATOM 0 HA PRO A 49 -3.959 -4.590 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.552 -5.335 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.745 -4.278 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.696 -3.572 6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.614 -2.963 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.592 -1.597 5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.008 -1.367 7.108 1.00 0.00 H new ATOM 750 N ARG A 50 -4.333 -4.758 3.891 1.00 0.00 N ATOM 751 CA ARG A 50 -4.478 -5.443 2.611 1.00 0.00 C ATOM 752 C ARG A 50 -3.127 -5.936 2.097 1.00 0.00 C ATOM 753 O ARG A 50 -3.012 -7.061 1.608 1.00 0.00 O ATOM 754 CB ARG A 50 -5.131 -4.516 1.582 1.00 0.00 C ATOM 755 CG ARG A 50 -6.543 -4.930 1.204 1.00 0.00 C ATOM 756 CD ARG A 50 -7.559 -4.441 2.225 1.00 0.00 C ATOM 757 NE ARG A 50 -8.931 -4.719 1.806 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.519 -5.907 1.931 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.858 -6.931 2.457 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.771 -6.073 1.527 1.00 0.00 N ATOM 0 H ARG A 50 -3.550 -4.106 3.935 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.121 -6.310 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.153 -3.502 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.515 -4.492 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.790 -4.528 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.597 -6.016 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.368 -4.921 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.436 -3.368 2.375 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.470 -3.958 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.894 -6.810 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.314 -7.839 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.284 -5.291 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.221 -6.983 1.623 1.00 0.00 H new ATOM 774 N LEU A 51 -2.105 -5.092 2.213 1.00 0.00 N ATOM 775 CA LEU A 51 -0.765 -5.455 1.764 1.00 0.00 C ATOM 776 C LEU A 51 0.024 -6.096 2.902 1.00 0.00 C ATOM 777 O LEU A 51 -0.510 -6.312 3.991 1.00 0.00 O ATOM 778 CB LEU A 51 -0.018 -4.225 1.226 1.00 0.00 C ATOM 779 CG LEU A 51 -0.869 -3.208 0.454 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.886 -3.910 -0.436 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.562 -2.252 1.414 1.00 0.00 C ATOM 0 H LEU A 51 -2.179 -4.156 2.612 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.863 -6.179 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.452 -3.713 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.784 -4.568 0.573 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.205 -2.629 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.476 -3.166 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.365 -4.545 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.546 -4.522 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.161 -1.538 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.209 -2.816 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.813 -1.716 1.997 1.00 0.00 H new ATOM 793 N VAL A 52 1.291 -6.410 2.646 1.00 0.00 N ATOM 794 CA VAL A 52 2.138 -7.038 3.655 1.00 0.00 C ATOM 795 C VAL A 52 3.436 -6.262 3.861 1.00 0.00 C ATOM 796 O VAL A 52 4.320 -6.275 3.005 1.00 0.00 O ATOM 797 CB VAL A 52 2.491 -8.487 3.267 1.00 0.00 C ATOM 798 CG1 VAL A 52 2.903 -9.295 4.489 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.328 -9.156 2.547 1.00 0.00 C ATOM 0 H VAL A 52 1.752 -6.241 1.752 1.00 0.00 H new ATOM 0 HA VAL A 52 1.565 -7.036 4.582 1.00 0.00 H new ATOM 0 HB VAL A 52 3.339 -8.452 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.147 -10.313 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.776 -8.835 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.082 -9.316 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.602 -10.178 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.456 -9.171 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.092 -8.599 1.640 1.00 0.00 H new ATOM 809 N VAL A 53 3.547 -5.602 5.007 1.00 0.00 N ATOM 810 CA VAL A 53 4.744 -4.835 5.336 1.00 0.00 C ATOM 811 C VAL A 53 5.654 -5.643 6.253 1.00 0.00 C ATOM 812 O VAL A 53 5.320 -5.912 7.407 1.00 0.00 O ATOM 813 CB VAL A 53 4.392 -3.485 6.000 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.318 -3.668 7.062 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.626 -2.813 6.594 1.00 0.00 C ATOM 0 H VAL A 53 2.823 -5.582 5.725 1.00 0.00 H new ATOM 0 HA VAL A 53 5.266 -4.624 4.403 1.00 0.00 H new ATOM 0 HB VAL A 53 4.000 -2.830 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.087 -2.704 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.419 -4.078 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.678 -4.353 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.340 -1.866 7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.066 -3.463 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.355 -2.628 5.805 1.00 0.00 H new ATOM 825 N GLN A 54 6.802 -6.036 5.718 1.00 0.00 N ATOM 826 CA GLN A 54 7.771 -6.829 6.470 1.00 0.00 C ATOM 827 C GLN A 54 9.155 -6.187 6.440 1.00 0.00 C ATOM 828 O GLN A 54 9.552 -5.595 5.437 1.00 0.00 O ATOM 829 CB GLN A 54 7.840 -8.251 5.908 1.00 0.00 C ATOM 830 CG GLN A 54 7.284 -9.305 6.853 1.00 0.00 C ATOM 831 CD GLN A 54 7.407 -10.710 6.297 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.695 -11.086 5.365 1.00 0.00 O ATOM 833 NE2 GLN A 54 8.311 -11.496 6.868 1.00 0.00 N ATOM 0 H GLN A 54 7.088 -5.819 4.763 1.00 0.00 H new ATOM 0 HA GLN A 54 7.439 -6.869 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.288 -8.289 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.878 -8.492 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.811 -9.248 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.235 -9.089 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.880 -11.144 7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.437 -12.453 6.537 1.00 0.00 H new ATOM 842 N ILE A 55 9.884 -6.311 7.545 1.00 0.00 N ATOM 843 CA ILE A 55 11.222 -5.741 7.644 1.00 0.00 C ATOM 844 C ILE A 55 12.297 -6.803 7.420 1.00 0.00 C ATOM 845 O ILE A 55 12.238 -7.892 7.991 1.00 0.00 O ATOM 846 CB ILE A 55 11.444 -5.037 9.009 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.863 -6.036 10.093 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.183 -4.300 9.440 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.803 -7.068 10.409 1.00 0.00 C ATOM 0 H ILE A 55 9.571 -6.801 8.383 1.00 0.00 H new ATOM 0 HA ILE A 55 11.306 -4.992 6.857 1.00 0.00 H new ATOM 0 HB ILE A 55 12.252 -4.317 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.771 -6.547 9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.109 -5.489 11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.357 -3.812 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.927 -3.549 8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.362 -5.010 9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.170 -7.741 11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.901 -6.567 10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.574 -7.641 9.511 1.00 0.00 H new ATOM 861 N THR A 56 13.279 -6.474 6.586 1.00 0.00 N ATOM 862 CA THR A 56 14.368 -7.395 6.285 1.00 0.00 C ATOM 863 C THR A 56 15.716 -6.770 6.629 1.00 0.00 C ATOM 864 O THR A 56 16.213 -5.906 5.907 1.00 0.00 O ATOM 865 CB THR A 56 14.338 -7.787 4.807 1.00 0.00 C ATOM 866 OG1 THR A 56 13.005 -7.982 4.368 1.00 0.00 O ATOM 867 CG2 THR A 56 15.109 -9.055 4.508 1.00 0.00 C ATOM 0 H THR A 56 13.342 -5.576 6.107 1.00 0.00 H new ATOM 0 HA THR A 56 14.235 -8.289 6.894 1.00 0.00 H new ATOM 0 HB THR A 56 14.812 -6.960 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.006 -8.230 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.047 -9.276 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.153 -8.921 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.683 -9.882 5.075 1.00 0.00 H new ATOM 1312 N LEU A 89 1.629 7.320 -25.770 1.00 0.00 N ATOM 1313 CA LEU A 89 1.512 7.638 -27.189 1.00 0.00 C ATOM 1314 C LEU A 89 2.293 6.639 -28.039 1.00 0.00 C ATOM 1315 O LEU A 89 1.891 6.311 -29.154 1.00 0.00 O ATOM 1316 CB LEU A 89 2.006 9.062 -27.460 1.00 0.00 C ATOM 1317 CG LEU A 89 0.903 10.088 -27.733 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -0.025 9.599 -28.834 1.00 0.00 C ATOM 1319 CD2 LEU A 89 0.118 10.375 -26.461 1.00 0.00 C ATOM 0 HA LEU A 89 0.459 7.572 -27.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.589 9.397 -26.603 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.681 9.040 -28.316 1.00 0.00 H new ATOM 0 HG LEU A 89 1.371 11.014 -28.067 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.802 10.343 -29.012 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.546 9.444 -29.749 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.486 8.659 -28.531 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.662 11.106 -26.672 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.337 9.453 -26.098 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.790 10.771 -25.700 1.00 0.00 H new ATOM 1331 N ASN A 90 3.415 6.160 -27.506 1.00 0.00 N ATOM 1332 CA ASN A 90 4.255 5.199 -28.217 1.00 0.00 C ATOM 1333 C ASN A 90 3.426 4.040 -28.774 1.00 0.00 C ATOM 1334 O ASN A 90 3.646 3.595 -29.900 1.00 0.00 O ATOM 1335 CB ASN A 90 5.347 4.661 -27.290 1.00 0.00 C ATOM 1336 CG ASN A 90 6.610 5.498 -27.336 1.00 0.00 C ATOM 1337 OD1 ASN A 90 7.015 6.085 -26.333 1.00 0.00 O ATOM 1338 ND2 ASN A 90 7.239 5.558 -28.504 1.00 0.00 N ATOM 0 H ASN A 90 3.764 6.422 -26.584 1.00 0.00 H new ATOM 0 HA ASN A 90 4.719 5.719 -29.055 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.970 4.633 -26.268 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.584 3.635 -27.570 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.094 6.107 -28.595 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.867 5.055 -29.310 1.00 0.00 H new ATOM 1345 N THR A 91 2.478 3.551 -27.978 1.00 0.00 N ATOM 1346 CA THR A 91 1.625 2.440 -28.398 1.00 0.00 C ATOM 1347 C THR A 91 0.786 2.794 -29.633 1.00 0.00 C ATOM 1348 O THR A 91 0.214 1.908 -30.270 1.00 0.00 O ATOM 1349 CB THR A 91 0.704 2.028 -27.249 1.00 0.00 C ATOM 1350 OG1 THR A 91 1.278 2.372 -26.000 1.00 0.00 O ATOM 1351 CG2 THR A 91 0.402 0.546 -27.222 1.00 0.00 C ATOM 0 H THR A 91 2.281 3.904 -27.042 1.00 0.00 H new ATOM 0 HA THR A 91 2.277 1.609 -28.667 1.00 0.00 H new ATOM 0 HB THR A 91 -0.228 2.567 -27.420 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.674 2.102 -25.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.256 0.324 -26.382 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.087 0.257 -28.152 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.331 -0.013 -27.112 1.00 0.00 H new ATOM 1359 N PHE A 92 0.716 4.080 -29.974 1.00 0.00 N ATOM 1360 CA PHE A 92 -0.049 4.525 -31.132 1.00 0.00 C ATOM 1361 C PHE A 92 0.898 4.916 -32.267 1.00 0.00 C ATOM 1362 O PHE A 92 1.536 5.967 -32.221 1.00 0.00 O ATOM 1363 CB PHE A 92 -0.946 5.706 -30.739 1.00 0.00 C ATOM 1364 CG PHE A 92 -1.778 5.438 -29.516 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -1.187 5.343 -28.266 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -3.150 5.277 -29.618 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -1.950 5.095 -27.141 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -3.918 5.028 -28.496 1.00 0.00 C ATOM 1369 CZ PHE A 92 -3.317 4.936 -27.256 1.00 0.00 C ATOM 0 H PHE A 92 1.181 4.830 -29.463 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.683 3.710 -31.481 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.324 6.583 -30.562 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.605 5.946 -31.573 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.118 5.464 -28.170 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.625 5.347 -30.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.478 5.026 -26.172 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.987 4.906 -28.589 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.915 4.740 -26.378 1.00 0.00 H new ATOM 1379 N THR A 93 0.998 4.049 -33.275 1.00 0.00 N ATOM 1380 CA THR A 93 1.886 4.292 -34.411 1.00 0.00 C ATOM 1381 C THR A 93 1.187 5.067 -35.529 1.00 0.00 C ATOM 1382 O THR A 93 1.292 6.291 -35.599 1.00 0.00 O ATOM 1383 CB THR A 93 2.430 2.966 -34.949 1.00 0.00 C ATOM 1384 OG1 THR A 93 1.372 2.122 -35.367 1.00 0.00 O ATOM 1385 CG2 THR A 93 3.254 2.203 -33.933 1.00 0.00 C ATOM 0 H THR A 93 0.476 3.174 -33.328 1.00 0.00 H new ATOM 0 HA THR A 93 2.713 4.905 -34.054 1.00 0.00 H new ATOM 0 HB THR A 93 3.073 3.235 -35.787 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.740 1.281 -35.709 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.610 1.273 -34.377 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.107 2.809 -33.628 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.639 1.977 -33.062 1.00 0.00 H new ATOM 1393 N VAL A 94 0.487 4.351 -36.408 1.00 0.00 N ATOM 1394 CA VAL A 94 -0.213 4.983 -37.524 1.00 0.00 C ATOM 1395 C VAL A 94 -1.513 4.254 -37.847 1.00 0.00 C ATOM 1396 O VAL A 94 -2.591 4.847 -37.835 1.00 0.00 O ATOM 1397 CB VAL A 94 0.671 5.030 -38.787 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -0.005 5.841 -39.883 1.00 0.00 C ATOM 1399 CG2 VAL A 94 2.040 5.606 -38.457 1.00 0.00 C ATOM 0 H VAL A 94 0.390 3.336 -36.369 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.444 6.002 -37.215 1.00 0.00 H new ATOM 0 HB VAL A 94 0.807 4.012 -39.152 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.634 5.863 -40.766 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.961 5.383 -40.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.173 6.859 -39.531 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.651 5.632 -39.359 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.925 6.617 -38.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.526 4.982 -37.707 1.00 0.00 H new ATOM 1409 N GLU A 95 -1.400 2.962 -38.123 1.00 0.00 N ATOM 1410 CA GLU A 95 -2.554 2.127 -38.442 1.00 0.00 C ATOM 1411 C GLU A 95 -3.383 1.839 -37.193 1.00 0.00 C ATOM 1412 O GLU A 95 -4.549 1.453 -37.283 1.00 0.00 O ATOM 1413 CB GLU A 95 -2.098 0.814 -39.081 1.00 0.00 C ATOM 1414 CG GLU A 95 -1.233 -0.038 -38.167 1.00 0.00 C ATOM 1415 CD GLU A 95 -0.475 -1.113 -38.920 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -0.077 -0.860 -40.077 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -0.282 -2.209 -38.354 1.00 0.00 O ATOM 0 H GLU A 95 -0.510 2.463 -38.133 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.179 2.671 -39.151 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.976 0.239 -39.377 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.541 1.037 -39.991 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.524 0.602 -37.643 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.862 -0.505 -37.409 1.00 0.00 H new ATOM 1424 N GLN A 96 -2.766 2.015 -36.030 1.00 0.00 N ATOM 1425 CA GLN A 96 -3.425 1.763 -34.759 1.00 0.00 C ATOM 1426 C GLN A 96 -4.276 2.948 -34.352 1.00 0.00 C ATOM 1427 O GLN A 96 -5.194 2.818 -33.545 1.00 0.00 O ATOM 1428 CB GLN A 96 -2.389 1.468 -33.672 1.00 0.00 C ATOM 1429 CG GLN A 96 -1.471 0.305 -34.009 1.00 0.00 C ATOM 1430 CD GLN A 96 -1.966 -1.011 -33.441 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -3.111 -1.405 -33.663 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -1.103 -1.699 -32.702 1.00 0.00 N ATOM 0 H GLN A 96 -1.801 2.334 -35.944 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.072 0.894 -34.878 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.786 2.360 -33.505 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.906 1.253 -32.737 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.382 0.219 -35.092 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.473 0.511 -33.623 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.163 -1.335 -32.544 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.380 -2.591 -32.293 1.00 0.00 H new ATOM 1441 N LEU A 97 -3.970 4.104 -34.918 1.00 0.00 N ATOM 1442 CA LEU A 97 -4.717 5.302 -34.608 1.00 0.00 C ATOM 1443 C LEU A 97 -6.023 5.273 -35.380 1.00 0.00 C ATOM 1444 O LEU A 97 -7.108 5.314 -34.802 1.00 0.00 O ATOM 1445 CB LEU A 97 -3.945 6.579 -34.974 1.00 0.00 C ATOM 1446 CG LEU A 97 -2.444 6.668 -34.629 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -1.833 5.336 -34.218 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -1.700 7.241 -35.818 1.00 0.00 C ATOM 0 H LEU A 97 -3.214 4.234 -35.590 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.894 5.321 -33.533 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.045 6.728 -36.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.445 7.417 -34.488 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.349 7.320 -33.761 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.776 5.475 -33.990 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.348 4.957 -33.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.937 4.621 -35.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.637 7.308 -35.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.841 6.592 -36.683 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.085 8.235 -36.044 1.00 0.00 H new ATOM 1460 N LYS A 98 -5.900 5.188 -36.699 1.00 0.00 N ATOM 1461 CA LYS A 98 -7.062 5.140 -37.575 1.00 0.00 C ATOM 1462 C LYS A 98 -8.003 3.996 -37.190 1.00 0.00 C ATOM 1463 O LYS A 98 -9.211 4.084 -37.405 1.00 0.00 O ATOM 1464 CB LYS A 98 -6.618 4.974 -39.029 1.00 0.00 C ATOM 1465 CG LYS A 98 -5.818 3.707 -39.279 1.00 0.00 C ATOM 1466 CD LYS A 98 -4.991 3.811 -40.551 1.00 0.00 C ATOM 1467 CE LYS A 98 -4.028 4.987 -40.497 1.00 0.00 C ATOM 1468 NZ LYS A 98 -2.673 4.618 -40.989 1.00 0.00 N ATOM 0 H LYS A 98 -5.004 5.151 -37.186 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.603 6.080 -37.464 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.499 4.970 -39.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.017 5.836 -39.317 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.160 3.518 -38.431 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.496 2.856 -39.353 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.431 2.888 -40.698 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.654 3.922 -41.409 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.422 5.806 -41.098 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.956 5.350 -39.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.119 5.481 -41.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.192 4.034 -40.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.760 4.080 -41.875 1.00 0.00 H new ATOM 1482 N ALA A 99 -7.446 2.919 -36.633 1.00 0.00 N ATOM 1483 CA ALA A 99 -8.253 1.765 -36.241 1.00 0.00 C ATOM 1484 C ALA A 99 -8.857 1.936 -34.860 1.00 0.00 C ATOM 1485 O ALA A 99 -9.939 1.424 -34.572 1.00 0.00 O ATOM 1486 CB ALA A 99 -7.425 0.491 -36.307 1.00 0.00 C ATOM 0 H ALA A 99 -6.448 2.823 -36.445 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.078 1.689 -36.949 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.041 -0.359 -36.012 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.066 0.343 -37.325 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.574 0.575 -35.631 1.00 0.00 H new ATOM 1492 N GLN A 100 -8.158 2.662 -34.016 1.00 0.00 N ATOM 1493 CA GLN A 100 -8.625 2.915 -32.659 1.00 0.00 C ATOM 1494 C GLN A 100 -9.541 4.131 -32.623 1.00 0.00 C ATOM 1495 O GLN A 100 -10.352 4.284 -31.709 1.00 0.00 O ATOM 1496 CB GLN A 100 -7.443 3.112 -31.709 1.00 0.00 C ATOM 1497 CG GLN A 100 -6.807 1.809 -31.250 1.00 0.00 C ATOM 1498 CD GLN A 100 -7.025 1.543 -29.773 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -7.923 2.113 -29.153 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -6.200 0.673 -29.201 1.00 0.00 N ATOM 0 H GLN A 100 -7.261 3.092 -34.241 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.193 2.045 -32.329 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.687 3.721 -32.205 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.779 3.670 -30.835 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.220 0.983 -31.829 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.737 1.839 -31.456 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.470 0.224 -29.753 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.297 0.454 -28.210 1.00 0.00 H new ATOM 1509 N LEU A 101 -9.414 4.994 -33.628 1.00 0.00 N ATOM 1510 CA LEU A 101 -10.237 6.190 -33.711 1.00 0.00 C ATOM 1511 C LEU A 101 -11.638 5.836 -34.192 1.00 0.00 C ATOM 1512 O LEU A 101 -12.632 6.344 -33.673 1.00 0.00 O ATOM 1513 CB LEU A 101 -9.602 7.217 -34.653 1.00 0.00 C ATOM 1514 CG LEU A 101 -9.194 8.538 -33.994 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -8.692 9.524 -35.038 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -10.358 9.129 -33.209 1.00 0.00 C ATOM 0 H LEU A 101 -8.749 4.885 -34.394 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.306 6.628 -32.715 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.720 6.770 -35.111 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.305 7.432 -35.458 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.381 8.337 -33.296 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.407 10.456 -34.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.827 9.103 -35.550 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.482 9.720 -35.763 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.047 10.067 -32.749 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.194 9.315 -33.883 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.666 8.429 -32.433 1.00 0.00 H new ATOM 1528 N THR A 102 -11.707 4.956 -35.186 1.00 0.00 N ATOM 1529 CA THR A 102 -12.988 4.527 -35.734 1.00 0.00 C ATOM 1530 C THR A 102 -13.790 3.781 -34.682 1.00 0.00 C ATOM 1531 O THR A 102 -14.993 3.996 -34.533 1.00 0.00 O ATOM 1532 CB THR A 102 -12.781 3.635 -36.960 1.00 0.00 C ATOM 1533 OG1 THR A 102 -11.440 3.180 -37.037 1.00 0.00 O ATOM 1534 CG2 THR A 102 -13.111 4.329 -38.261 1.00 0.00 C ATOM 0 H THR A 102 -10.893 4.527 -35.627 1.00 0.00 H new ATOM 0 HA THR A 102 -13.541 5.415 -36.039 1.00 0.00 H new ATOM 0 HB THR A 102 -13.467 2.799 -36.828 1.00 0.00 H new ATOM 0 HG1 THR A 102 -10.887 3.863 -37.470 1.00 0.00 H new ATOM 0 HG21 THR A 102 -12.944 3.643 -39.092 1.00 0.00 H new ATOM 0 HG22 THR A 102 -14.156 4.640 -38.252 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.472 5.204 -38.379 1.00 0.00 H new ATOM 1542 N GLU A 103 -13.113 2.905 -33.952 1.00 0.00 N ATOM 1543 CA GLU A 103 -13.762 2.126 -32.907 1.00 0.00 C ATOM 1544 C GLU A 103 -13.981 2.964 -31.650 1.00 0.00 C ATOM 1545 O GLU A 103 -14.615 2.520 -30.694 1.00 0.00 O ATOM 1546 CB GLU A 103 -12.939 0.879 -32.576 1.00 0.00 C ATOM 1547 CG GLU A 103 -13.439 -0.381 -33.266 1.00 0.00 C ATOM 1548 CD GLU A 103 -12.476 -0.888 -34.323 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -12.179 -0.128 -35.269 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -12.022 -2.045 -34.205 1.00 0.00 O ATOM 0 H GLU A 103 -12.117 2.716 -34.064 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.737 1.814 -33.281 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.901 1.052 -32.862 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.951 0.722 -31.497 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.598 -1.160 -32.521 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.406 -0.179 -33.727 1.00 0.00 H new ATOM 1557 N ARG A 104 -13.445 4.176 -31.664 1.00 0.00 N ATOM 1558 CA ARG A 104 -13.563 5.091 -30.535 1.00 0.00 C ATOM 1559 C ARG A 104 -14.511 6.249 -30.859 1.00 0.00 C ATOM 1560 O ARG A 104 -14.967 6.959 -29.964 1.00 0.00 O ATOM 1561 CB ARG A 104 -12.175 5.627 -30.171 1.00 0.00 C ATOM 1562 CG ARG A 104 -12.170 6.636 -29.035 1.00 0.00 C ATOM 1563 CD ARG A 104 -10.988 7.585 -29.148 1.00 0.00 C ATOM 1564 NE ARG A 104 -11.408 8.948 -29.470 1.00 0.00 N ATOM 1565 CZ ARG A 104 -10.663 10.029 -29.240 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -9.460 9.911 -28.693 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -11.125 11.230 -29.558 1.00 0.00 N ATOM 0 H ARG A 104 -12.919 4.552 -32.453 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.980 4.548 -29.687 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.535 4.788 -29.898 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.735 6.090 -31.054 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.099 7.205 -29.047 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.129 6.112 -28.080 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.435 7.589 -28.209 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.306 7.224 -29.918 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.325 9.079 -29.896 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.100 8.989 -28.446 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.895 10.742 -28.520 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.050 11.326 -29.978 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.556 12.058 -29.383 1.00 0.00 H new ATOM 1581 N GLY A 105 -14.809 6.430 -32.144 1.00 0.00 N ATOM 1582 CA GLY A 105 -15.699 7.500 -32.557 1.00 0.00 C ATOM 1583 C GLY A 105 -15.288 8.106 -33.885 1.00 0.00 C ATOM 1584 O GLY A 105 -16.087 8.166 -34.816 1.00 0.00 O ATOM 0 H GLY A 105 -14.449 5.854 -32.905 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.716 7.115 -32.634 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.710 8.277 -31.793 1.00 0.00 H new ATOM 1588 N ILE A 106 -14.031 8.546 -33.956 1.00 0.00 N ATOM 1589 CA ILE A 106 -13.463 9.150 -35.159 1.00 0.00 C ATOM 1590 C ILE A 106 -14.318 10.293 -35.706 1.00 0.00 C ATOM 1591 O ILE A 106 -15.541 10.197 -35.788 1.00 0.00 O ATOM 1592 CB ILE A 106 -13.226 8.107 -36.274 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -12.430 8.729 -37.422 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -14.540 7.538 -36.789 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -11.086 9.281 -36.998 1.00 0.00 C ATOM 0 H ILE A 106 -13.376 8.492 -33.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -12.502 9.562 -34.849 1.00 0.00 H new ATOM 0 HB ILE A 106 -12.650 7.286 -35.848 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -12.277 7.977 -38.196 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -13.018 9.531 -37.868 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -14.338 6.807 -37.572 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -15.073 7.054 -35.970 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -15.152 8.344 -37.194 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.578 9.706 -37.864 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -11.232 10.056 -36.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -10.479 8.479 -36.579 1.00 0.00 H new ATOM 1607 N THR A 107 -13.650 11.375 -36.090 1.00 0.00 N ATOM 1608 CA THR A 107 -14.324 12.543 -36.644 1.00 0.00 C ATOM 1609 C THR A 107 -13.364 13.355 -37.510 1.00 0.00 C ATOM 1610 O THR A 107 -13.523 14.566 -37.663 1.00 0.00 O ATOM 1611 CB THR A 107 -14.883 13.420 -35.523 1.00 0.00 C ATOM 1612 OG1 THR A 107 -13.906 13.632 -34.518 1.00 0.00 O ATOM 1613 CG2 THR A 107 -16.107 12.833 -34.856 1.00 0.00 C ATOM 0 H THR A 107 -12.636 11.467 -36.027 1.00 0.00 H new ATOM 0 HA THR A 107 -15.150 12.197 -37.265 1.00 0.00 H new ATOM 0 HB THR A 107 -15.166 14.356 -36.004 1.00 0.00 H new ATOM 0 HG1 THR A 107 -14.282 14.197 -33.810 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.451 13.506 -34.071 1.00 0.00 H new ATOM 0 HG22 THR A 107 -16.897 12.703 -35.595 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.856 11.866 -34.421 1.00 0.00 H new ATOM 1621 N PHE A 108 -12.361 12.679 -38.066 1.00 0.00 N ATOM 1622 CA PHE A 108 -11.366 13.337 -38.909 1.00 0.00 C ATOM 1623 C PHE A 108 -11.980 13.849 -40.210 1.00 0.00 C ATOM 1624 O PHE A 108 -11.975 13.159 -41.228 1.00 0.00 O ATOM 1625 CB PHE A 108 -10.202 12.383 -39.211 1.00 0.00 C ATOM 1626 CG PHE A 108 -10.607 10.987 -39.622 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -11.899 10.703 -40.047 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -9.680 9.954 -39.587 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -12.254 9.422 -40.426 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -10.032 8.673 -39.967 1.00 0.00 C ATOM 1631 CZ PHE A 108 -11.319 8.406 -40.387 1.00 0.00 C ATOM 0 H PHE A 108 -12.216 11.676 -37.948 1.00 0.00 H new ATOM 0 HA PHE A 108 -10.986 14.198 -38.358 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.594 12.817 -40.005 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.569 12.315 -38.326 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.635 11.493 -40.082 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.671 10.154 -39.259 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.262 9.215 -40.753 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.299 7.880 -39.935 1.00 0.00 H new ATOM 0 HZ PHE A 108 -11.595 7.405 -40.685 1.00 0.00 H new ATOM 1641 N LYS A 109 -12.505 15.070 -40.166 1.00 0.00 N ATOM 1642 CA LYS A 109 -13.123 15.683 -41.338 1.00 0.00 C ATOM 1643 C LYS A 109 -12.085 15.972 -42.422 1.00 0.00 C ATOM 1644 O LYS A 109 -11.750 17.127 -42.685 1.00 0.00 O ATOM 1645 CB LYS A 109 -13.837 16.978 -40.944 1.00 0.00 C ATOM 1646 CG LYS A 109 -14.960 16.772 -39.940 1.00 0.00 C ATOM 1647 CD LYS A 109 -16.329 16.948 -40.582 1.00 0.00 C ATOM 1648 CE LYS A 109 -17.095 18.104 -39.958 1.00 0.00 C ATOM 1649 NZ LYS A 109 -18.489 18.190 -40.474 1.00 0.00 N ATOM 0 H LYS A 109 -12.515 15.655 -39.331 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.851 14.978 -41.740 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.108 17.672 -40.524 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.244 17.446 -41.840 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.885 15.773 -39.510 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.849 17.481 -39.119 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.210 17.124 -41.651 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.904 16.028 -40.472 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.116 17.983 -38.875 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.573 19.039 -40.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.977 18.991 -40.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.470 18.331 -41.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.995 17.308 -40.255 1.00 0.00 H new ATOM 1663 N GLN A 110 -11.582 14.913 -43.052 1.00 0.00 N ATOM 1664 CA GLN A 110 -10.587 15.051 -44.112 1.00 0.00 C ATOM 1665 C GLN A 110 -9.418 15.925 -43.664 1.00 0.00 C ATOM 1666 O GLN A 110 -8.763 16.568 -44.485 1.00 0.00 O ATOM 1667 CB GLN A 110 -11.230 15.646 -45.366 1.00 0.00 C ATOM 1668 CG GLN A 110 -10.413 15.436 -46.629 1.00 0.00 C ATOM 1669 CD GLN A 110 -11.279 15.285 -47.864 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -11.827 14.214 -48.127 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -11.407 16.361 -48.633 1.00 0.00 N ATOM 0 H GLN A 110 -11.847 13.950 -42.847 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.202 14.057 -44.341 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.216 15.202 -45.504 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -11.380 16.715 -45.214 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.737 16.280 -46.765 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -9.793 14.547 -46.513 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.936 17.229 -48.378 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.977 16.319 -49.478 1.00 0.00 H new ATOM 1680 N SER A 111 -9.164 15.949 -42.360 1.00 0.00 N ATOM 1681 CA SER A 111 -8.077 16.751 -41.809 1.00 0.00 C ATOM 1682 C SER A 111 -7.028 15.872 -41.133 1.00 0.00 C ATOM 1683 O SER A 111 -5.850 16.226 -41.083 1.00 0.00 O ATOM 1684 CB SER A 111 -8.625 17.768 -40.807 1.00 0.00 C ATOM 1685 OG SER A 111 -9.160 17.122 -39.664 1.00 0.00 O ATOM 0 H SER A 111 -9.695 15.423 -41.666 1.00 0.00 H new ATOM 0 HA SER A 111 -7.600 17.279 -42.635 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.830 18.450 -40.504 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.398 18.371 -41.283 1.00 0.00 H new ATOM 0 HG SER A 111 -9.502 17.794 -39.038 1.00 0.00 H new ATOM 1691 N ALA A 112 -7.460 14.729 -40.609 1.00 0.00 N ATOM 1692 CA ALA A 112 -6.551 13.812 -39.935 1.00 0.00 C ATOM 1693 C ALA A 112 -5.866 12.879 -40.927 1.00 0.00 C ATOM 1694 O ALA A 112 -6.220 11.704 -41.036 1.00 0.00 O ATOM 1695 CB ALA A 112 -7.296 13.010 -38.880 1.00 0.00 C ATOM 0 H ALA A 112 -8.431 14.418 -40.639 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.778 14.405 -39.447 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.604 12.329 -38.385 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.727 13.689 -38.144 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.092 12.436 -39.354 1.00 0.00 H new ATOM 1701 N THR A 113 -4.883 13.409 -41.648 1.00 0.00 N ATOM 1702 CA THR A 113 -4.147 12.622 -42.630 1.00 0.00 C ATOM 1703 C THR A 113 -3.376 11.492 -41.957 1.00 0.00 C ATOM 1704 O THR A 113 -3.727 10.320 -42.101 1.00 0.00 O ATOM 1705 CB THR A 113 -3.187 13.514 -43.417 1.00 0.00 C ATOM 1706 OG1 THR A 113 -3.619 14.863 -43.391 1.00 0.00 O ATOM 1707 CG2 THR A 113 -3.051 13.102 -44.865 1.00 0.00 C ATOM 0 H THR A 113 -4.578 14.379 -41.571 1.00 0.00 H new ATOM 0 HA THR A 113 -4.869 12.183 -43.319 1.00 0.00 H new ATOM 0 HB THR A 113 -2.219 13.404 -42.929 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.990 15.418 -43.899 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.357 13.773 -45.371 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.673 12.081 -44.919 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.025 13.155 -45.351 1.00 0.00 H new ATOM 1715 N LYS A 114 -2.325 11.844 -41.220 1.00 0.00 N ATOM 1716 CA LYS A 114 -1.517 10.845 -40.529 1.00 0.00 C ATOM 1717 C LYS A 114 -0.825 11.435 -39.309 1.00 0.00 C ATOM 1718 O LYS A 114 -0.781 10.812 -38.248 1.00 0.00 O ATOM 1719 CB LYS A 114 -0.484 10.238 -41.483 1.00 0.00 C ATOM 1720 CG LYS A 114 -0.889 8.881 -42.035 1.00 0.00 C ATOM 1721 CD LYS A 114 -0.045 8.496 -43.238 1.00 0.00 C ATOM 1722 CE LYS A 114 -0.876 7.787 -44.297 1.00 0.00 C ATOM 1723 NZ LYS A 114 -1.357 8.728 -45.347 1.00 0.00 N ATOM 0 H LYS A 114 -2.015 12.807 -41.087 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.187 10.057 -40.186 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.321 10.925 -42.314 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.467 10.139 -40.960 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.783 8.124 -41.258 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.941 8.902 -42.319 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.408 9.390 -43.667 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.771 7.847 -42.919 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.280 7.000 -44.760 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.731 7.303 -43.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.919 8.206 -46.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.947 9.464 -44.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.541 9.171 -45.816 1.00 0.00 H new ATOM 1737 N ALA A 115 -0.295 12.636 -39.453 1.00 0.00 N ATOM 1738 CA ALA A 115 0.374 13.293 -38.342 1.00 0.00 C ATOM 1739 C ALA A 115 -0.652 13.925 -37.412 1.00 0.00 C ATOM 1740 O ALA A 115 -0.387 14.138 -36.229 1.00 0.00 O ATOM 1741 CB ALA A 115 1.357 14.337 -38.850 1.00 0.00 C ATOM 0 H ALA A 115 -0.313 13.173 -40.320 1.00 0.00 H new ATOM 0 HA ALA A 115 0.936 12.546 -37.781 1.00 0.00 H new ATOM 0 HB1 ALA A 115 1.847 14.817 -38.003 1.00 0.00 H new ATOM 0 HB2 ALA A 115 2.107 13.856 -39.478 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.822 15.087 -39.433 1.00 0.00 H new ATOM 1747 N GLU A 116 -1.828 14.217 -37.958 1.00 0.00 N ATOM 1748 CA GLU A 116 -2.903 14.819 -37.182 1.00 0.00 C ATOM 1749 C GLU A 116 -3.734 13.760 -36.465 1.00 0.00 C ATOM 1750 O GLU A 116 -4.178 13.973 -35.337 1.00 0.00 O ATOM 1751 CB GLU A 116 -3.797 15.669 -38.083 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.086 16.867 -38.692 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.816 18.172 -38.436 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.038 18.128 -38.184 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.164 19.236 -38.487 1.00 0.00 O ATOM 0 H GLU A 116 -2.060 14.046 -38.936 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.449 15.458 -36.425 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.189 15.044 -38.885 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.652 16.020 -37.505 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.078 16.933 -38.283 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.985 16.717 -39.767 1.00 0.00 H new ATOM 1762 N LEU A 117 -3.953 12.619 -37.121 1.00 0.00 N ATOM 1763 CA LEU A 117 -4.745 11.547 -36.520 1.00 0.00 C ATOM 1764 C LEU A 117 -3.925 10.774 -35.496 1.00 0.00 C ATOM 1765 O LEU A 117 -4.483 10.124 -34.612 1.00 0.00 O ATOM 1766 CB LEU A 117 -5.355 10.627 -37.600 1.00 0.00 C ATOM 1767 CG LEU A 117 -4.618 9.327 -37.930 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -5.188 8.732 -39.206 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -3.132 9.567 -38.089 1.00 0.00 C ATOM 0 H LEU A 117 -3.598 12.416 -38.055 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.581 11.999 -35.986 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.367 10.368 -37.287 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.444 11.204 -38.520 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.759 8.630 -37.104 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.663 7.806 -39.442 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.249 8.523 -39.068 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.061 9.439 -40.026 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.634 8.626 -38.323 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.963 10.278 -38.898 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.727 9.970 -37.161 1.00 0.00 H new ATOM 1781 N ILE A 118 -2.603 10.878 -35.587 1.00 0.00 N ATOM 1782 CA ILE A 118 -1.740 10.211 -34.627 1.00 0.00 C ATOM 1783 C ILE A 118 -1.614 11.070 -33.369 1.00 0.00 C ATOM 1784 O ILE A 118 -1.421 10.556 -32.268 1.00 0.00 O ATOM 1785 CB ILE A 118 -0.337 9.891 -35.211 1.00 0.00 C ATOM 1786 CG1 ILE A 118 0.428 8.944 -34.277 1.00 0.00 C ATOM 1787 CG2 ILE A 118 0.476 11.154 -35.477 1.00 0.00 C ATOM 1788 CD1 ILE A 118 0.989 9.614 -33.039 1.00 0.00 C ATOM 0 H ILE A 118 -2.114 11.411 -36.306 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.200 9.255 -34.376 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.489 9.397 -36.171 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -0.238 8.138 -33.970 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.247 8.487 -34.832 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.449 10.881 -35.885 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -0.053 11.784 -36.192 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.614 11.701 -34.544 1.00 0.00 H new ATOM 0 HD11 ILE A 118 1.515 8.876 -32.433 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.682 10.402 -33.334 1.00 0.00 H new ATOM 0 HD13 ILE A 118 0.174 10.047 -32.459 1.00 0.00 H new ATOM 1800 N ALA A 119 -1.758 12.386 -33.543 1.00 0.00 N ATOM 1801 CA ALA A 119 -1.692 13.323 -32.432 1.00 0.00 C ATOM 1802 C ALA A 119 -3.061 13.493 -31.784 1.00 0.00 C ATOM 1803 O ALA A 119 -3.171 13.683 -30.573 1.00 0.00 O ATOM 1804 CB ALA A 119 -1.156 14.667 -32.905 1.00 0.00 C ATOM 0 H ALA A 119 -1.922 12.823 -34.450 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.010 12.919 -31.684 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.112 15.358 -32.063 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.156 14.535 -33.318 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.815 15.072 -33.673 1.00 0.00 H new ATOM 1810 N LEU A 120 -4.105 13.436 -32.611 1.00 0.00 N ATOM 1811 CA LEU A 120 -5.479 13.596 -32.138 1.00 0.00 C ATOM 1812 C LEU A 120 -5.765 12.696 -30.944 1.00 0.00 C ATOM 1813 O LEU A 120 -6.435 13.105 -29.998 1.00 0.00 O ATOM 1814 CB LEU A 120 -6.470 13.290 -33.264 1.00 0.00 C ATOM 1815 CG LEU A 120 -7.808 14.025 -33.165 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -7.757 15.330 -33.942 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -8.939 13.143 -33.671 1.00 0.00 C ATOM 0 H LEU A 120 -4.024 13.280 -33.616 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.599 14.632 -31.822 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -6.004 13.542 -34.216 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.662 12.217 -33.277 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.998 14.258 -32.117 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.717 15.840 -33.861 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.972 15.967 -33.533 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.545 15.121 -34.991 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.883 13.682 -33.593 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.756 12.879 -34.713 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.989 12.235 -33.070 1.00 0.00 H new ATOM 1829 N PHE A 121 -5.256 11.468 -30.997 1.00 0.00 N ATOM 1830 CA PHE A 121 -5.460 10.505 -29.919 1.00 0.00 C ATOM 1831 C PHE A 121 -5.084 11.101 -28.565 1.00 0.00 C ATOM 1832 O PHE A 121 -3.955 10.948 -28.100 1.00 0.00 O ATOM 1833 CB PHE A 121 -4.638 9.245 -30.174 1.00 0.00 C ATOM 1834 CG PHE A 121 -5.415 8.166 -30.861 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -5.600 8.197 -32.232 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -5.965 7.123 -30.137 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -6.318 7.208 -32.869 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -6.684 6.131 -30.768 1.00 0.00 C ATOM 1839 CZ PHE A 121 -6.862 6.173 -32.136 1.00 0.00 C ATOM 0 H PHE A 121 -4.699 11.116 -31.776 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.519 10.248 -29.898 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -3.770 9.502 -30.781 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -4.262 8.865 -29.224 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -5.177 9.006 -32.810 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.829 7.086 -29.066 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.455 7.243 -33.940 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -7.108 5.321 -30.192 1.00 0.00 H new ATOM 0 HZ PHE A 121 -7.426 5.397 -32.632 1.00 0.00 H new