USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 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 110:sc= -6.61! USER MOD Single : A 9 CYS SG : rot 30:sc= 0.114 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.682 F(o=0,f=0.68) USER MOD Single : A 14 ASN : amide:sc= -3.66 K(o=-3.7,f=-11!) USER MOD Single : A 32 ASN : amide:sc= -0.115 K(o=-0.11,f=-3.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 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= -6.18! C(o=-6.2!,f=-7.2!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.315 X(o=-0.31,f=-0.052) USER MOD Single : A 91 THR OG1 : rot 51:sc= 0.745 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 96 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.52 (180deg=-0.905) USER MOD Single : A 100 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 102 THR OG1 : rot -91:sc= 1.07 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= -0.314 X(o=-0.31,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.228 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.434 2.598 12.549 1.00 0.00 N ATOM 91 CA THR A 7 16.180 2.754 11.121 1.00 0.00 C ATOM 92 C THR A 7 16.270 1.415 10.399 1.00 0.00 C ATOM 93 O THR A 7 17.229 0.662 10.577 1.00 0.00 O ATOM 94 CB THR A 7 17.182 3.733 10.527 1.00 0.00 C ATOM 95 OG1 THR A 7 16.884 4.005 9.173 1.00 0.00 O ATOM 96 CG2 THR A 7 18.605 3.228 10.602 1.00 0.00 C ATOM 0 HA THR A 7 15.170 3.142 10.991 1.00 0.00 H new ATOM 0 HB THR A 7 17.099 4.640 11.126 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.555 4.924 9.089 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.277 3.966 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.878 3.062 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.688 2.291 10.052 1.00 0.00 H new ATOM 104 N PHE A 8 15.260 1.120 9.592 1.00 0.00 N ATOM 105 CA PHE A 8 15.219 -0.139 8.850 1.00 0.00 C ATOM 106 C PHE A 8 14.541 0.013 7.492 1.00 0.00 C ATOM 107 O PHE A 8 13.567 0.754 7.352 1.00 0.00 O ATOM 108 CB PHE A 8 14.482 -1.194 9.666 1.00 0.00 C ATOM 109 CG PHE A 8 13.431 -0.607 10.556 1.00 0.00 C ATOM 110 CD1 PHE A 8 13.781 -0.044 11.773 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.098 -0.612 10.177 1.00 0.00 C ATOM 112 CE1 PHE A 8 12.819 0.502 12.600 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.131 -0.067 11.001 1.00 0.00 C ATOM 114 CZ PHE A 8 11.492 0.490 12.214 1.00 0.00 C ATOM 0 H PHE A 8 14.459 1.731 9.433 1.00 0.00 H new ATOM 0 HA PHE A 8 16.250 -0.447 8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.019 -1.913 8.990 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.200 -1.745 10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.817 -0.032 12.078 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.812 -1.045 9.230 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.103 0.938 13.547 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.095 -0.076 10.698 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.738 0.915 12.859 1.00 0.00 H new ATOM 124 N CYS A 9 15.030 -0.734 6.508 1.00 0.00 N ATOM 125 CA CYS A 9 14.445 -0.722 5.173 1.00 0.00 C ATOM 126 C CYS A 9 13.439 -1.868 5.062 1.00 0.00 C ATOM 127 O CYS A 9 13.730 -2.992 5.470 1.00 0.00 O ATOM 128 CB CYS A 9 15.533 -0.873 4.109 1.00 0.00 C ATOM 129 SG CYS A 9 16.576 -2.336 4.323 1.00 0.00 S ATOM 0 H CYS A 9 15.832 -1.356 6.611 1.00 0.00 H new ATOM 0 HA CYS A 9 13.940 0.230 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.062 -0.916 3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.164 0.015 4.121 1.00 0.00 H new ATOM 0 HG CYS A 9 15.888 -3.279 4.895 1.00 0.00 H new ATOM 135 N VAL A 10 12.255 -1.586 4.530 1.00 0.00 N ATOM 136 CA VAL A 10 11.222 -2.613 4.401 1.00 0.00 C ATOM 137 C VAL A 10 10.988 -2.990 2.949 1.00 0.00 C ATOM 138 O VAL A 10 11.255 -2.212 2.045 1.00 0.00 O ATOM 139 CB VAL A 10 9.885 -2.154 5.039 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.825 -1.814 3.991 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.361 -3.210 5.994 1.00 0.00 C ATOM 0 H VAL A 10 11.986 -0.665 4.184 1.00 0.00 H new ATOM 0 HA VAL A 10 11.585 -3.491 4.936 1.00 0.00 H new ATOM 0 HB VAL A 10 10.095 -1.240 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.909 -1.498 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.188 -1.007 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.621 -2.694 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.422 -2.871 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.193 -4.140 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.091 -3.379 6.786 1.00 0.00 H new ATOM 151 N VAL A 11 10.482 -4.189 2.737 1.00 0.00 N ATOM 152 CA VAL A 11 10.204 -4.662 1.398 1.00 0.00 C ATOM 153 C VAL A 11 8.871 -5.400 1.356 1.00 0.00 C ATOM 154 O VAL A 11 8.771 -6.556 1.768 1.00 0.00 O ATOM 155 CB VAL A 11 11.346 -5.553 0.891 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.827 -6.477 1.992 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.941 -6.334 -0.353 1.00 0.00 C ATOM 0 H VAL A 11 10.255 -4.853 3.477 1.00 0.00 H new ATOM 0 HA VAL A 11 10.132 -3.800 0.735 1.00 0.00 H new ATOM 0 HB VAL A 11 12.174 -4.905 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.637 -7.102 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.187 -5.884 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.003 -7.111 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.776 -6.953 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.087 -6.970 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.670 -5.638 -1.147 1.00 0.00 H new ATOM 167 N VAL A 12 7.850 -4.711 0.865 1.00 0.00 N ATOM 168 CA VAL A 12 6.511 -5.272 0.773 1.00 0.00 C ATOM 169 C VAL A 12 6.277 -5.917 -0.588 1.00 0.00 C ATOM 170 O VAL A 12 6.521 -5.304 -1.626 1.00 0.00 O ATOM 171 CB VAL A 12 5.445 -4.184 1.002 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.059 -4.800 1.043 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.737 -3.412 2.280 1.00 0.00 C ATOM 0 H VAL A 12 7.926 -3.754 0.522 1.00 0.00 H new ATOM 0 HA VAL A 12 6.426 -6.033 1.548 1.00 0.00 H new ATOM 0 HB VAL A 12 5.479 -3.482 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.318 -4.018 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.856 -5.302 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.007 -5.524 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.974 -2.648 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.731 -4.097 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.715 -2.938 2.203 1.00 0.00 H new ATOM 183 N GLN A 13 5.802 -7.158 -0.574 1.00 0.00 N ATOM 184 CA GLN A 13 5.536 -7.888 -1.808 1.00 0.00 C ATOM 185 C GLN A 13 4.108 -8.426 -1.825 1.00 0.00 C ATOM 186 O GLN A 13 3.786 -9.377 -1.112 1.00 0.00 O ATOM 187 CB GLN A 13 6.529 -9.042 -1.968 1.00 0.00 C ATOM 188 CG GLN A 13 7.964 -8.664 -1.635 1.00 0.00 C ATOM 189 CD GLN A 13 8.575 -9.565 -0.579 1.00 0.00 C ATOM 190 OE1 GLN A 13 8.921 -10.785 -0.972 1.00 0.00 O flip ATOM 191 NE2 GLN A 13 8.734 -9.168 0.575 1.00 0.00 N flip ATOM 0 H GLN A 13 5.593 -7.679 0.278 1.00 0.00 H new ATOM 0 HA GLN A 13 5.655 -7.196 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.221 -9.866 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.487 -9.406 -2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.568 -8.711 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.992 -7.631 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.453 -8.222 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.147 -9.785 1.274 1.00 0.00 H new ATOM 200 N ASN A 14 3.257 -7.817 -2.644 1.00 0.00 N ATOM 201 CA ASN A 14 1.867 -8.242 -2.750 1.00 0.00 C ATOM 202 C ASN A 14 1.484 -8.479 -4.207 1.00 0.00 C ATOM 203 O ASN A 14 1.944 -7.774 -5.104 1.00 0.00 O ATOM 204 CB ASN A 14 0.938 -7.201 -2.123 1.00 0.00 C ATOM 205 CG ASN A 14 0.303 -7.698 -0.841 1.00 0.00 C ATOM 206 OD1 ASN A 14 0.977 -7.862 0.176 1.00 0.00 O ATOM 207 ND2 ASN A 14 -1.002 -7.942 -0.884 1.00 0.00 N ATOM 0 H ASN A 14 3.505 -7.029 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 14 1.757 -9.181 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.501 -6.291 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.156 -6.938 -2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.485 -8.280 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.521 -7.792 -1.749 1.00 0.00 H new ATOM 482 N ASP A 31 6.635 -6.339 -5.057 1.00 0.00 N ATOM 483 CA ASP A 31 7.847 -6.108 -4.275 1.00 0.00 C ATOM 484 C ASP A 31 8.282 -4.649 -4.341 1.00 0.00 C ATOM 485 O ASP A 31 8.548 -4.114 -5.417 1.00 0.00 O ATOM 486 CB ASP A 31 8.984 -7.008 -4.760 1.00 0.00 C ATOM 487 CG ASP A 31 9.048 -7.110 -6.273 1.00 0.00 C ATOM 488 OD1 ASP A 31 8.754 -6.100 -6.948 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.389 -8.198 -6.781 1.00 0.00 O ATOM 0 HA ASP A 31 7.616 -6.352 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.932 -6.622 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.857 -8.005 -4.338 1.00 0.00 H new ATOM 494 N ASN A 32 8.356 -4.017 -3.177 1.00 0.00 N ATOM 495 CA ASN A 32 8.767 -2.619 -3.084 1.00 0.00 C ATOM 496 C ASN A 32 9.599 -2.392 -1.826 1.00 0.00 C ATOM 497 O ASN A 32 9.150 -2.684 -0.719 1.00 0.00 O ATOM 498 CB ASN A 32 7.542 -1.704 -3.074 1.00 0.00 C ATOM 499 CG ASN A 32 7.885 -0.275 -3.446 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.941 0.239 -3.078 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.989 0.377 -4.179 1.00 0.00 N ATOM 0 H ASN A 32 8.136 -4.451 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 32 9.377 -2.380 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.798 -2.090 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.088 -1.720 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.164 1.342 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.126 -0.088 -4.462 1.00 0.00 H new ATOM 508 N SER A 33 10.812 -1.875 -2.000 1.00 0.00 N ATOM 509 CA SER A 33 11.701 -1.621 -0.872 1.00 0.00 C ATOM 510 C SER A 33 11.448 -0.249 -0.265 1.00 0.00 C ATOM 511 O SER A 33 11.117 0.709 -0.962 1.00 0.00 O ATOM 512 CB SER A 33 13.165 -1.724 -1.292 1.00 0.00 C ATOM 513 OG SER A 33 13.458 -3.002 -1.828 1.00 0.00 O ATOM 0 H SER A 33 11.201 -1.624 -2.909 1.00 0.00 H new ATOM 0 HA SER A 33 11.489 -2.383 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.388 -0.957 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.807 -1.532 -0.432 1.00 0.00 H new ATOM 0 HG SER A 33 14.402 -3.038 -2.090 1.00 0.00 H new ATOM 519 N LEU A 34 11.609 -0.176 1.046 1.00 0.00 N ATOM 520 CA LEU A 34 11.407 1.057 1.790 1.00 0.00 C ATOM 521 C LEU A 34 12.729 1.516 2.410 1.00 0.00 C ATOM 522 O LEU A 34 13.521 0.697 2.878 1.00 0.00 O ATOM 523 CB LEU A 34 10.328 0.824 2.867 1.00 0.00 C ATOM 524 CG LEU A 34 10.234 1.851 3.988 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.238 1.512 5.075 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.430 3.269 3.470 1.00 0.00 C ATOM 0 H LEU A 34 11.883 -0.970 1.625 1.00 0.00 H new ATOM 0 HA LEU A 34 11.065 1.847 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.359 0.776 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.505 -0.153 3.317 1.00 0.00 H new ATOM 0 HG LEU A 34 9.231 1.811 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.169 2.248 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.022 0.521 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.245 1.524 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.356 3.973 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.413 3.355 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.661 3.496 2.732 1.00 0.00 H new ATOM 538 N ALA A 35 12.963 2.825 2.408 1.00 0.00 N ATOM 539 CA ALA A 35 14.179 3.393 2.963 1.00 0.00 C ATOM 540 C ALA A 35 14.182 3.271 4.475 1.00 0.00 C ATOM 541 O ALA A 35 13.139 3.146 5.102 1.00 0.00 O ATOM 542 CB ALA A 35 14.319 4.846 2.554 1.00 0.00 C ATOM 0 H ALA A 35 12.317 3.515 2.023 1.00 0.00 H new ATOM 0 HA ALA A 35 15.029 2.836 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.235 5.257 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.359 4.916 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.463 5.412 2.922 1.00 0.00 H new ATOM 548 N ALA A 36 15.363 3.282 5.054 1.00 0.00 N ATOM 549 CA ALA A 36 15.492 3.128 6.495 1.00 0.00 C ATOM 550 C ALA A 36 14.988 4.358 7.241 1.00 0.00 C ATOM 551 O ALA A 36 15.637 5.403 7.270 1.00 0.00 O ATOM 552 CB ALA A 36 16.941 2.836 6.856 1.00 0.00 C ATOM 0 H ALA A 36 16.246 3.395 4.556 1.00 0.00 H new ATOM 0 HA ALA A 36 14.870 2.287 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.031 2.722 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.260 1.916 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.572 3.661 6.525 1.00 0.00 H new ATOM 558 N VAL A 37 13.804 4.204 7.841 1.00 0.00 N ATOM 559 CA VAL A 37 13.161 5.276 8.596 1.00 0.00 C ATOM 560 C VAL A 37 12.890 4.842 10.037 1.00 0.00 C ATOM 561 O VAL A 37 13.265 3.746 10.447 1.00 0.00 O ATOM 562 CB VAL A 37 11.829 5.724 7.932 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.853 5.464 6.433 1.00 0.00 C ATOM 564 CG2 VAL A 37 10.626 5.029 8.562 1.00 0.00 C ATOM 0 H VAL A 37 13.269 3.336 7.816 1.00 0.00 H new ATOM 0 HA VAL A 37 13.849 6.121 8.598 1.00 0.00 H new ATOM 0 HB VAL A 37 11.730 6.796 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.909 5.786 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.674 6.021 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.993 4.399 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.713 5.367 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.725 3.950 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.580 5.272 9.623 1.00 0.00 H new ATOM 574 N SER A 38 12.230 5.709 10.797 1.00 0.00 N ATOM 575 CA SER A 38 11.905 5.419 12.189 1.00 0.00 C ATOM 576 C SER A 38 11.035 4.167 12.314 1.00 0.00 C ATOM 577 O SER A 38 11.450 3.171 12.906 1.00 0.00 O ATOM 578 CB SER A 38 11.188 6.614 12.823 1.00 0.00 C ATOM 579 OG SER A 38 11.644 6.839 14.146 1.00 0.00 O ATOM 0 H SER A 38 11.909 6.621 10.472 1.00 0.00 H new ATOM 0 HA SER A 38 12.841 5.234 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.358 7.506 12.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.113 6.435 12.831 1.00 0.00 H new ATOM 0 HG SER A 38 11.172 7.608 14.528 1.00 0.00 H new ATOM 585 N GLU A 39 9.826 4.228 11.762 1.00 0.00 N ATOM 586 CA GLU A 39 8.899 3.096 11.826 1.00 0.00 C ATOM 587 C GLU A 39 7.641 3.337 10.989 1.00 0.00 C ATOM 588 O GLU A 39 6.929 2.390 10.653 1.00 0.00 O ATOM 589 CB GLU A 39 8.508 2.819 13.278 1.00 0.00 C ATOM 590 CG GLU A 39 7.603 1.607 13.445 1.00 0.00 C ATOM 591 CD GLU A 39 6.275 1.954 14.089 1.00 0.00 C ATOM 592 OE1 GLU A 39 5.568 2.835 13.557 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.941 1.343 15.127 1.00 0.00 O ATOM 0 H GLU A 39 9.464 5.043 11.267 1.00 0.00 H new ATOM 0 HA GLU A 39 9.414 2.229 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.413 2.670 13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.004 3.697 13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.422 1.156 12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.112 0.859 14.052 1.00 0.00 H new ATOM 600 N SER A 40 7.363 4.601 10.654 1.00 0.00 N ATOM 601 CA SER A 40 6.185 4.945 9.856 1.00 0.00 C ATOM 602 C SER A 40 5.994 3.957 8.708 1.00 0.00 C ATOM 603 O SER A 40 4.870 3.660 8.309 1.00 0.00 O ATOM 604 CB SER A 40 6.317 6.365 9.303 1.00 0.00 C ATOM 605 OG SER A 40 5.956 7.329 10.277 1.00 0.00 O ATOM 0 H SER A 40 7.937 5.400 10.923 1.00 0.00 H new ATOM 0 HA SER A 40 5.311 4.892 10.505 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.343 6.538 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.682 6.476 8.424 1.00 0.00 H new ATOM 0 HG SER A 40 6.051 8.228 9.898 1.00 0.00 H new ATOM 611 N GLN A 41 7.106 3.440 8.196 1.00 0.00 N ATOM 612 CA GLN A 41 7.081 2.471 7.106 1.00 0.00 C ATOM 613 C GLN A 41 6.215 1.267 7.478 1.00 0.00 C ATOM 614 O GLN A 41 5.217 0.975 6.819 1.00 0.00 O ATOM 615 CB GLN A 41 8.520 2.040 6.780 1.00 0.00 C ATOM 616 CG GLN A 41 8.732 0.537 6.619 1.00 0.00 C ATOM 617 CD GLN A 41 9.665 -0.032 7.671 1.00 0.00 C ATOM 618 OE1 GLN A 41 10.814 0.390 7.792 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.172 -0.995 8.440 1.00 0.00 N ATOM 0 H GLN A 41 8.043 3.678 8.522 1.00 0.00 H new ATOM 0 HA GLN A 41 6.641 2.930 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.830 2.534 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.177 2.400 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.770 0.029 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.139 0.334 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.213 -1.315 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.752 -1.415 9.166 1.00 0.00 H new ATOM 628 N LEU A 42 6.621 0.567 8.532 1.00 0.00 N ATOM 629 CA LEU A 42 5.907 -0.617 9.000 1.00 0.00 C ATOM 630 C LEU A 42 4.426 -0.332 9.220 1.00 0.00 C ATOM 631 O LEU A 42 3.564 -1.043 8.705 1.00 0.00 O ATOM 632 CB LEU A 42 6.539 -1.122 10.300 1.00 0.00 C ATOM 633 CG LEU A 42 6.049 -2.493 10.768 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.867 -3.600 10.123 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.115 -2.592 12.285 1.00 0.00 C ATOM 0 H LEU A 42 7.447 0.801 9.082 1.00 0.00 H new ATOM 0 HA LEU A 42 5.987 -1.383 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.620 -1.165 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.343 -0.395 11.088 1.00 0.00 H new ATOM 0 HG LEU A 42 5.010 -2.612 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.504 -4.568 10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.769 -3.541 9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.915 -3.486 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.763 -3.574 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.145 -2.453 12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.485 -1.821 12.728 1.00 0.00 H new ATOM 647 N ALA A 43 4.138 0.704 9.995 1.00 0.00 N ATOM 648 CA ALA A 43 2.762 1.075 10.293 1.00 0.00 C ATOM 649 C ALA A 43 2.028 1.562 9.049 1.00 0.00 C ATOM 650 O ALA A 43 0.831 1.324 8.892 1.00 0.00 O ATOM 651 CB ALA A 43 2.733 2.135 11.376 1.00 0.00 C ATOM 0 H ALA A 43 4.840 1.303 10.429 1.00 0.00 H new ATOM 0 HA ALA A 43 2.244 0.185 10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.700 2.406 11.592 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.202 1.745 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.276 3.017 11.037 1.00 0.00 H new ATOM 657 N GLN A 44 2.748 2.245 8.164 1.00 0.00 N ATOM 658 CA GLN A 44 2.153 2.760 6.935 1.00 0.00 C ATOM 659 C GLN A 44 1.442 1.642 6.178 1.00 0.00 C ATOM 660 O GLN A 44 0.268 1.763 5.827 1.00 0.00 O ATOM 661 CB GLN A 44 3.224 3.398 6.046 1.00 0.00 C ATOM 662 CG GLN A 44 2.698 3.884 4.705 1.00 0.00 C ATOM 663 CD GLN A 44 3.794 4.433 3.814 1.00 0.00 C ATOM 664 OE1 GLN A 44 4.087 5.629 3.835 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.406 3.560 3.022 1.00 0.00 N ATOM 0 H GLN A 44 3.740 2.454 8.274 1.00 0.00 H new ATOM 0 HA GLN A 44 1.422 3.523 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.670 4.239 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.019 2.672 5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.198 3.061 4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.948 4.658 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.131 2.578 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.151 3.872 2.399 1.00 0.00 H new ATOM 674 N LEU A 45 2.162 0.552 5.940 1.00 0.00 N ATOM 675 CA LEU A 45 1.604 -0.593 5.237 1.00 0.00 C ATOM 676 C LEU A 45 0.734 -1.427 6.169 1.00 0.00 C ATOM 677 O LEU A 45 -0.431 -1.694 5.880 1.00 0.00 O ATOM 678 CB LEU A 45 2.723 -1.454 4.657 1.00 0.00 C ATOM 679 CG LEU A 45 3.294 -0.958 3.327 1.00 0.00 C ATOM 680 CD1 LEU A 45 4.799 -0.749 3.426 1.00 0.00 C ATOM 681 CD2 LEU A 45 2.955 -1.925 2.204 1.00 0.00 C ATOM 0 H LEU A 45 3.135 0.439 6.225 1.00 0.00 H new ATOM 0 HA LEU A 45 0.982 -0.223 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.533 -1.511 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.347 -2.468 4.519 1.00 0.00 H new ATOM 0 HG LEU A 45 2.836 0.004 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.181 -0.396 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.014 -0.009 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.281 -1.692 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.370 -1.554 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.379 -2.904 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.872 -2.011 2.112 1.00 0.00 H new ATOM 692 N LYS A 46 1.318 -1.834 7.291 1.00 0.00 N ATOM 693 CA LYS A 46 0.611 -2.641 8.281 1.00 0.00 C ATOM 694 C LYS A 46 -0.702 -1.981 8.700 1.00 0.00 C ATOM 695 O LYS A 46 -1.625 -2.655 9.158 1.00 0.00 O ATOM 696 CB LYS A 46 1.492 -2.864 9.511 1.00 0.00 C ATOM 697 CG LYS A 46 1.101 -4.087 10.326 1.00 0.00 C ATOM 698 CD LYS A 46 2.193 -5.144 10.311 1.00 0.00 C ATOM 699 CE LYS A 46 2.252 -5.903 11.627 1.00 0.00 C ATOM 700 NZ LYS A 46 3.486 -6.727 11.739 1.00 0.00 N ATOM 0 H LYS A 46 2.283 -1.617 7.539 1.00 0.00 H new ATOM 0 HA LYS A 46 0.380 -3.602 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.529 -2.967 9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.442 -1.981 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.897 -3.789 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.179 -4.510 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.013 -5.843 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.156 -4.671 10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.211 -5.196 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.377 -6.547 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.487 -7.228 12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.513 -7.419 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.322 -6.110 11.682 1.00 0.00 H new ATOM 714 N ALA A 47 -0.780 -0.661 8.544 1.00 0.00 N ATOM 715 CA ALA A 47 -1.980 0.087 8.910 1.00 0.00 C ATOM 716 C ALA A 47 -3.241 -0.596 8.390 1.00 0.00 C ATOM 717 O ALA A 47 -4.310 -0.494 8.995 1.00 0.00 O ATOM 718 CB ALA A 47 -1.893 1.512 8.381 1.00 0.00 C ATOM 0 H ALA A 47 -0.026 -0.087 8.166 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.040 0.115 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.793 2.059 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.021 2.006 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.803 1.492 7.295 1.00 0.00 H new ATOM 724 N ASP A 48 -3.108 -1.296 7.269 1.00 0.00 N ATOM 725 CA ASP A 48 -4.233 -2.002 6.669 1.00 0.00 C ATOM 726 C ASP A 48 -3.866 -3.458 6.387 1.00 0.00 C ATOM 727 O ASP A 48 -2.869 -3.735 5.720 1.00 0.00 O ATOM 728 CB ASP A 48 -4.666 -1.311 5.375 1.00 0.00 C ATOM 729 CG ASP A 48 -6.170 -1.334 5.182 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.899 -1.314 6.196 1.00 0.00 O ATOM 731 OD2 ASP A 48 -6.618 -1.372 4.017 1.00 0.00 O ATOM 0 H ASP A 48 -2.231 -1.390 6.757 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.064 -1.983 7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.320 -0.278 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.186 -1.800 4.527 1.00 0.00 H new ATOM 736 N PRO A 49 -4.667 -4.413 6.894 1.00 0.00 N ATOM 737 CA PRO A 49 -4.411 -5.841 6.692 1.00 0.00 C ATOM 738 C PRO A 49 -4.745 -6.296 5.274 1.00 0.00 C ATOM 739 O PRO A 49 -5.609 -7.150 5.072 1.00 0.00 O ATOM 740 CB PRO A 49 -5.342 -6.507 7.705 1.00 0.00 C ATOM 741 CG PRO A 49 -6.474 -5.553 7.855 1.00 0.00 C ATOM 742 CD PRO A 49 -5.879 -4.179 7.705 1.00 0.00 C ATOM 0 HA PRO A 49 -3.359 -6.094 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.686 -7.478 7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.837 -6.677 8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.238 -5.732 7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.954 -5.667 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.568 -3.496 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.636 -3.739 8.672 1.00 0.00 H new ATOM 750 N ARG A 50 -4.056 -5.720 4.295 1.00 0.00 N ATOM 751 CA ARG A 50 -4.282 -6.067 2.897 1.00 0.00 C ATOM 752 C ARG A 50 -2.988 -6.526 2.227 1.00 0.00 C ATOM 753 O ARG A 50 -2.992 -7.470 1.437 1.00 0.00 O ATOM 754 CB ARG A 50 -4.877 -4.876 2.142 1.00 0.00 C ATOM 755 CG ARG A 50 -6.305 -4.552 2.547 1.00 0.00 C ATOM 756 CD ARG A 50 -7.308 -5.081 1.535 1.00 0.00 C ATOM 757 NE ARG A 50 -8.687 -4.841 1.952 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.329 -5.582 2.853 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.722 -6.608 3.432 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.583 -5.293 3.176 1.00 0.00 N ATOM 0 H ARG A 50 -3.337 -5.012 4.443 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.991 -6.894 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.252 -3.999 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.850 -5.084 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.513 -4.984 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.420 -3.472 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.134 -4.606 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.153 -6.151 1.396 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.188 -4.060 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.758 -6.834 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.219 -7.172 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.054 -4.504 2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.076 -5.860 3.866 1.00 0.00 H new ATOM 774 N LEU A 51 -1.880 -5.861 2.549 1.00 0.00 N ATOM 775 CA LEU A 51 -0.584 -6.218 1.974 1.00 0.00 C ATOM 776 C LEU A 51 0.407 -6.615 3.065 1.00 0.00 C ATOM 777 O LEU A 51 0.534 -5.935 4.083 1.00 0.00 O ATOM 778 CB LEU A 51 -0.008 -5.062 1.145 1.00 0.00 C ATOM 779 CG LEU A 51 -1.031 -4.076 0.574 1.00 0.00 C ATOM 780 CD1 LEU A 51 -2.182 -4.815 -0.096 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.545 -3.151 1.668 1.00 0.00 C ATOM 0 H LEU A 51 -1.853 -5.077 3.201 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.744 -7.072 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.694 -4.508 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.564 -5.483 0.318 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.536 -3.469 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.895 -4.093 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.796 -5.429 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.680 -5.452 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.271 -2.456 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.021 -3.742 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.712 -2.591 2.092 1.00 0.00 H new ATOM 793 N VAL A 52 1.103 -7.726 2.842 1.00 0.00 N ATOM 794 CA VAL A 52 2.082 -8.229 3.801 1.00 0.00 C ATOM 795 C VAL A 52 3.305 -7.320 3.891 1.00 0.00 C ATOM 796 O VAL A 52 4.144 -7.297 2.990 1.00 0.00 O ATOM 797 CB VAL A 52 2.561 -9.641 3.421 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.269 -10.311 4.589 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.401 -10.495 2.930 1.00 0.00 C ATOM 0 H VAL A 52 1.007 -8.297 2.002 1.00 0.00 H new ATOM 0 HA VAL A 52 1.577 -8.255 4.767 1.00 0.00 H new ATOM 0 HB VAL A 52 3.278 -9.542 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.597 -11.307 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.135 -9.716 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.584 -10.391 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.766 -11.488 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.653 -10.580 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.953 -10.030 2.052 1.00 0.00 H new ATOM 809 N VAL A 53 3.408 -6.592 4.994 1.00 0.00 N ATOM 810 CA VAL A 53 4.540 -5.698 5.226 1.00 0.00 C ATOM 811 C VAL A 53 5.506 -6.330 6.222 1.00 0.00 C ATOM 812 O VAL A 53 5.158 -6.565 7.379 1.00 0.00 O ATOM 813 CB VAL A 53 4.075 -4.318 5.736 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.047 -4.467 6.847 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.248 -3.465 6.203 1.00 0.00 C ATOM 0 H VAL A 53 2.720 -6.601 5.747 1.00 0.00 H new ATOM 0 HA VAL A 53 5.050 -5.546 4.275 1.00 0.00 H new ATOM 0 HB VAL A 53 3.606 -3.804 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.735 -3.480 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.181 -5.011 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.487 -5.017 7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.880 -2.501 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.767 -3.974 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.938 -3.309 5.373 1.00 0.00 H new ATOM 825 N GLN A 54 6.709 -6.627 5.751 1.00 0.00 N ATOM 826 CA GLN A 54 7.724 -7.267 6.589 1.00 0.00 C ATOM 827 C GLN A 54 9.044 -6.499 6.583 1.00 0.00 C ATOM 828 O GLN A 54 9.441 -5.928 5.568 1.00 0.00 O ATOM 829 CB GLN A 54 7.963 -8.703 6.122 1.00 0.00 C ATOM 830 CG GLN A 54 7.001 -9.709 6.730 1.00 0.00 C ATOM 831 CD GLN A 54 7.288 -11.131 6.289 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.066 -11.846 6.921 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.660 -11.548 5.195 1.00 0.00 N ATOM 0 H GLN A 54 7.010 -6.437 4.795 1.00 0.00 H new ATOM 0 HA GLN A 54 7.345 -7.268 7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.878 -8.742 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.984 -8.992 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.059 -9.651 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.981 -9.445 6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.023 -10.922 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.814 -12.495 4.848 1.00 0.00 H new ATOM 842 N ILE A 55 9.721 -6.502 7.732 1.00 0.00 N ATOM 843 CA ILE A 55 11.004 -5.820 7.875 1.00 0.00 C ATOM 844 C ILE A 55 12.162 -6.811 7.835 1.00 0.00 C ATOM 845 O ILE A 55 12.120 -7.857 8.484 1.00 0.00 O ATOM 846 CB ILE A 55 11.072 -5.023 9.192 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.736 -5.926 10.381 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.125 -3.834 9.140 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.634 -5.706 11.579 1.00 0.00 C ATOM 0 H ILE A 55 9.399 -6.971 8.579 1.00 0.00 H new ATOM 0 HA ILE A 55 11.090 -5.130 7.035 1.00 0.00 H new ATOM 0 HB ILE A 55 12.088 -4.650 9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.701 -5.754 10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.810 -6.968 10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.184 -3.281 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.407 -3.180 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.105 -4.188 8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.339 -6.379 12.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.668 -5.906 11.300 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.543 -4.674 11.918 1.00 0.00 H new ATOM 861 N THR A 56 13.196 -6.475 7.069 1.00 0.00 N ATOM 862 CA THR A 56 14.367 -7.334 6.944 1.00 0.00 C ATOM 863 C THR A 56 15.631 -6.588 7.356 1.00 0.00 C ATOM 864 O THR A 56 16.137 -5.745 6.616 1.00 0.00 O ATOM 865 CB THR A 56 14.505 -7.840 5.507 1.00 0.00 C ATOM 866 OG1 THR A 56 13.282 -8.385 5.047 1.00 0.00 O ATOM 867 CG2 THR A 56 15.570 -8.904 5.349 1.00 0.00 C ATOM 0 H THR A 56 13.246 -5.613 6.526 1.00 0.00 H new ATOM 0 HA THR A 56 14.235 -8.187 7.609 1.00 0.00 H new ATOM 0 HB THR A 56 14.793 -6.968 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.391 -8.701 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.617 -9.220 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.536 -8.499 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.325 -9.760 5.977 1.00 0.00 H new ATOM 1312 N LEU A 89 -0.152 23.601 -10.195 1.00 0.00 N ATOM 1313 CA LEU A 89 -0.641 24.918 -10.586 1.00 0.00 C ATOM 1314 C LEU A 89 0.493 25.937 -10.599 1.00 0.00 C ATOM 1315 O LEU A 89 0.606 26.744 -11.521 1.00 0.00 O ATOM 1316 CB LEU A 89 -1.747 25.379 -9.634 1.00 0.00 C ATOM 1317 CG LEU A 89 -3.036 24.558 -9.694 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -3.560 24.492 -11.120 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -2.804 23.159 -9.142 1.00 0.00 C ATOM 0 HA LEU A 89 -1.049 24.842 -11.594 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.363 25.350 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.986 26.419 -9.856 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.787 25.050 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.477 23.904 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.766 25.500 -11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.813 24.024 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.732 22.589 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.038 22.657 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.476 23.227 -8.105 1.00 0.00 H new ATOM 1331 N ASN A 90 1.332 25.894 -9.568 1.00 0.00 N ATOM 1332 CA ASN A 90 2.461 26.815 -9.455 1.00 0.00 C ATOM 1333 C ASN A 90 3.269 26.874 -10.754 1.00 0.00 C ATOM 1334 O ASN A 90 3.764 27.935 -11.136 1.00 0.00 O ATOM 1335 CB ASN A 90 3.368 26.398 -8.296 1.00 0.00 C ATOM 1336 CG ASN A 90 3.039 27.135 -7.013 1.00 0.00 C ATOM 1337 OD1 ASN A 90 2.839 26.521 -5.964 1.00 0.00 O ATOM 1338 ND2 ASN A 90 2.980 28.460 -7.089 1.00 0.00 N ATOM 0 H ASN A 90 1.252 25.231 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 90 2.060 27.810 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.272 25.325 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.407 26.587 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.762 29.009 -6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.153 28.928 -7.979 1.00 0.00 H new ATOM 1345 N THR A 91 3.410 25.731 -11.423 1.00 0.00 N ATOM 1346 CA THR A 91 4.171 25.665 -12.668 1.00 0.00 C ATOM 1347 C THR A 91 3.563 26.543 -13.769 1.00 0.00 C ATOM 1348 O THR A 91 4.220 26.824 -14.771 1.00 0.00 O ATOM 1349 CB THR A 91 4.255 24.218 -13.154 1.00 0.00 C ATOM 1350 OG1 THR A 91 2.963 23.641 -13.238 1.00 0.00 O ATOM 1351 CG2 THR A 91 5.095 23.333 -12.257 1.00 0.00 C ATOM 0 H THR A 91 3.009 24.842 -11.125 1.00 0.00 H new ATOM 0 HA THR A 91 5.170 26.046 -12.456 1.00 0.00 H new ATOM 0 HB THR A 91 4.729 24.270 -14.134 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.373 24.233 -13.750 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.113 22.320 -12.659 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.112 23.723 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.666 23.318 -11.255 1.00 0.00 H new ATOM 1359 N PHE A 92 2.315 26.980 -13.588 1.00 0.00 N ATOM 1360 CA PHE A 92 1.658 27.824 -14.578 1.00 0.00 C ATOM 1361 C PHE A 92 1.830 29.298 -14.228 1.00 0.00 C ATOM 1362 O PHE A 92 1.651 29.698 -13.077 1.00 0.00 O ATOM 1363 CB PHE A 92 0.172 27.473 -14.674 1.00 0.00 C ATOM 1364 CG PHE A 92 -0.082 26.075 -15.158 1.00 0.00 C ATOM 1365 CD1 PHE A 92 0.307 24.984 -14.397 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -0.708 25.852 -16.374 1.00 0.00 C ATOM 1367 CE1 PHE A 92 0.077 23.695 -14.841 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -0.941 24.565 -16.823 1.00 0.00 C ATOM 1369 CZ PHE A 92 -0.547 23.486 -16.055 1.00 0.00 C ATOM 0 H PHE A 92 1.746 26.763 -12.770 1.00 0.00 H new ATOM 0 HA PHE A 92 2.125 27.643 -15.546 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.287 27.599 -13.693 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.317 28.177 -15.348 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.795 25.142 -13.447 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.017 26.692 -16.978 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.385 22.853 -14.239 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.430 24.403 -17.772 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.727 22.480 -16.404 1.00 0.00 H new ATOM 1379 N THR A 93 2.190 30.101 -15.225 1.00 0.00 N ATOM 1380 CA THR A 93 2.399 31.529 -15.014 1.00 0.00 C ATOM 1381 C THR A 93 1.069 32.269 -14.851 1.00 0.00 C ATOM 1382 O THR A 93 0.527 32.346 -13.749 1.00 0.00 O ATOM 1383 CB THR A 93 3.209 32.122 -16.172 1.00 0.00 C ATOM 1384 OG1 THR A 93 2.798 31.567 -17.408 1.00 0.00 O ATOM 1385 CG2 THR A 93 4.698 31.895 -16.038 1.00 0.00 C ATOM 0 H THR A 93 2.343 29.788 -16.184 1.00 0.00 H new ATOM 0 HA THR A 93 2.962 31.656 -14.089 1.00 0.00 H new ATOM 0 HB THR A 93 3.018 33.195 -16.139 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.326 31.960 -18.134 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.212 32.340 -16.890 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.055 32.357 -15.118 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.902 30.825 -16.010 1.00 0.00 H new ATOM 1393 N VAL A 94 0.548 32.811 -15.949 1.00 0.00 N ATOM 1394 CA VAL A 94 -0.713 33.544 -15.924 1.00 0.00 C ATOM 1395 C VAL A 94 -1.265 33.720 -17.335 1.00 0.00 C ATOM 1396 O VAL A 94 -2.470 33.626 -17.561 1.00 0.00 O ATOM 1397 CB VAL A 94 -0.563 34.932 -15.263 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -0.632 34.813 -13.748 1.00 0.00 C ATOM 1399 CG2 VAL A 94 0.734 35.605 -15.690 1.00 0.00 C ATOM 0 H VAL A 94 0.982 32.755 -16.870 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.408 32.952 -15.328 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.391 35.556 -15.599 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.524 35.801 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.593 34.387 -13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.172 34.166 -13.397 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.813 36.580 -15.210 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.580 34.985 -15.394 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.739 35.732 -16.773 1.00 0.00 H new ATOM 1409 N GLU A 95 -0.367 33.966 -18.283 1.00 0.00 N ATOM 1410 CA GLU A 95 -0.751 34.143 -19.677 1.00 0.00 C ATOM 1411 C GLU A 95 -0.939 32.792 -20.360 1.00 0.00 C ATOM 1412 O GLU A 95 -1.616 32.690 -21.383 1.00 0.00 O ATOM 1413 CB GLU A 95 0.307 34.966 -20.417 1.00 0.00 C ATOM 1414 CG GLU A 95 0.043 35.098 -21.908 1.00 0.00 C ATOM 1415 CD GLU A 95 1.193 35.750 -22.650 1.00 0.00 C ATOM 1416 OE1 GLU A 95 2.359 35.411 -22.353 1.00 0.00 O ATOM 1417 OE2 GLU A 95 0.930 36.597 -23.529 1.00 0.00 O ATOM 0 H GLU A 95 0.635 34.047 -18.109 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.700 34.679 -19.707 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.355 35.961 -19.976 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.283 34.504 -20.269 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.142 34.110 -22.329 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.863 35.685 -22.062 1.00 0.00 H new ATOM 1424 N GLN A 96 -0.339 31.754 -19.784 1.00 0.00 N ATOM 1425 CA GLN A 96 -0.443 30.412 -20.331 1.00 0.00 C ATOM 1426 C GLN A 96 -1.870 29.919 -20.209 1.00 0.00 C ATOM 1427 O GLN A 96 -2.483 29.488 -21.183 1.00 0.00 O ATOM 1428 CB GLN A 96 0.516 29.465 -19.599 1.00 0.00 C ATOM 1429 CG GLN A 96 1.587 28.870 -20.499 1.00 0.00 C ATOM 1430 CD GLN A 96 1.820 27.396 -20.232 1.00 0.00 C ATOM 1431 OE1 GLN A 96 0.949 26.703 -19.705 1.00 0.00 O ATOM 1432 NE2 GLN A 96 3.000 26.907 -20.595 1.00 0.00 N ATOM 0 H GLN A 96 0.225 31.821 -18.937 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.166 30.434 -21.385 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.997 30.007 -18.785 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.059 28.656 -19.148 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.297 29.005 -21.541 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.521 29.414 -20.355 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.693 27.517 -21.029 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.213 25.922 -20.440 1.00 0.00 H new ATOM 1441 N LEU A 97 -2.397 30.006 -18.999 1.00 0.00 N ATOM 1442 CA LEU A 97 -3.767 29.591 -18.730 1.00 0.00 C ATOM 1443 C LEU A 97 -4.718 30.337 -19.649 1.00 0.00 C ATOM 1444 O LEU A 97 -5.426 29.733 -20.448 1.00 0.00 O ATOM 1445 CB LEU A 97 -4.140 29.862 -17.271 1.00 0.00 C ATOM 1446 CG LEU A 97 -3.215 30.817 -16.505 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -3.988 32.006 -15.969 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -2.520 30.076 -15.378 1.00 0.00 C ATOM 0 H LEU A 97 -1.897 30.361 -18.184 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.846 28.520 -18.914 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.151 30.269 -17.245 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.166 28.910 -16.741 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.459 31.194 -17.194 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.310 32.668 -15.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.442 32.549 -16.798 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.769 31.658 -15.293 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.866 30.762 -14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.266 29.674 -14.693 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.928 29.259 -15.790 1.00 0.00 H new ATOM 1460 N LYS A 98 -4.704 31.659 -19.550 1.00 0.00 N ATOM 1461 CA LYS A 98 -5.547 32.498 -20.402 1.00 0.00 C ATOM 1462 C LYS A 98 -5.499 32.023 -21.857 1.00 0.00 C ATOM 1463 O LYS A 98 -6.514 32.031 -22.552 1.00 0.00 O ATOM 1464 CB LYS A 98 -5.100 33.960 -20.312 1.00 0.00 C ATOM 1465 CG LYS A 98 -6.224 34.920 -19.960 1.00 0.00 C ATOM 1466 CD LYS A 98 -6.683 34.740 -18.520 1.00 0.00 C ATOM 1467 CE LYS A 98 -5.601 35.139 -17.524 1.00 0.00 C ATOM 1468 NZ LYS A 98 -4.729 36.229 -18.043 1.00 0.00 N ATOM 0 H LYS A 98 -4.121 32.176 -18.891 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.575 32.417 -20.049 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.313 34.045 -19.563 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.665 34.257 -21.266 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.888 35.946 -20.110 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.066 34.759 -20.634 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.576 35.341 -18.346 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.962 33.699 -18.355 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.068 35.462 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.989 34.269 -17.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.208 36.662 -17.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.054 35.836 -18.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.315 36.951 -18.508 1.00 0.00 H new ATOM 1482 N ALA A 99 -4.318 31.601 -22.308 1.00 0.00 N ATOM 1483 CA ALA A 99 -4.156 31.116 -23.678 1.00 0.00 C ATOM 1484 C ALA A 99 -4.513 29.642 -23.798 1.00 0.00 C ATOM 1485 O ALA A 99 -4.822 29.150 -24.883 1.00 0.00 O ATOM 1486 CB ALA A 99 -2.740 31.368 -24.169 1.00 0.00 C ATOM 0 H ALA A 99 -3.465 31.585 -21.749 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.848 31.673 -24.310 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.638 31.001 -25.190 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.532 32.438 -24.146 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.033 30.847 -23.524 1.00 0.00 H new ATOM 1492 N GLN A 100 -4.461 28.947 -22.679 1.00 0.00 N ATOM 1493 CA GLN A 100 -4.770 27.523 -22.639 1.00 0.00 C ATOM 1494 C GLN A 100 -6.267 27.291 -22.461 1.00 0.00 C ATOM 1495 O GLN A 100 -6.867 26.491 -23.178 1.00 0.00 O ATOM 1496 CB GLN A 100 -3.996 26.838 -21.511 1.00 0.00 C ATOM 1497 CG GLN A 100 -2.588 26.423 -21.905 1.00 0.00 C ATOM 1498 CD GLN A 100 -2.560 25.115 -22.671 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -2.341 24.049 -22.094 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -2.784 25.188 -23.978 1.00 0.00 N ATOM 0 H GLN A 100 -4.206 29.346 -21.775 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.466 27.089 -23.591 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.941 27.513 -20.657 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.548 25.956 -21.186 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.139 27.207 -22.515 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.976 26.328 -21.008 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.961 26.092 -24.415 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.779 24.340 -24.544 1.00 0.00 H new ATOM 1509 N LEU A 101 -6.868 27.993 -21.503 1.00 0.00 N ATOM 1510 CA LEU A 101 -8.296 27.854 -21.245 1.00 0.00 C ATOM 1511 C LEU A 101 -9.074 28.032 -22.539 1.00 0.00 C ATOM 1512 O LEU A 101 -9.945 27.228 -22.875 1.00 0.00 O ATOM 1513 CB LEU A 101 -8.772 28.894 -20.222 1.00 0.00 C ATOM 1514 CG LEU A 101 -8.725 28.473 -18.745 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -9.640 29.360 -17.914 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -9.104 27.007 -18.567 1.00 0.00 C ATOM 0 H LEU A 101 -6.390 28.660 -20.897 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.473 26.857 -20.840 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.165 29.792 -20.340 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.798 29.168 -20.466 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.699 28.595 -18.398 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.597 29.050 -16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.316 30.397 -17.999 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.664 29.269 -18.277 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.060 26.745 -17.510 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.116 26.845 -18.939 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.408 26.381 -19.125 1.00 0.00 H new ATOM 1528 N THR A 102 -8.741 29.092 -23.264 1.00 0.00 N ATOM 1529 CA THR A 102 -9.390 29.385 -24.530 1.00 0.00 C ATOM 1530 C THR A 102 -9.138 28.266 -25.519 1.00 0.00 C ATOM 1531 O THR A 102 -10.036 27.855 -26.254 1.00 0.00 O ATOM 1532 CB THR A 102 -8.880 30.708 -25.098 1.00 0.00 C ATOM 1533 OG1 THR A 102 -7.621 31.042 -24.542 1.00 0.00 O ATOM 1534 CG2 THR A 102 -9.818 31.859 -24.837 1.00 0.00 C ATOM 0 H THR A 102 -8.023 29.764 -22.994 1.00 0.00 H new ATOM 0 HA THR A 102 -10.463 29.469 -24.356 1.00 0.00 H new ATOM 0 HB THR A 102 -8.803 30.555 -26.174 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.753 31.585 -23.737 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.402 32.772 -25.264 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.785 31.652 -25.296 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.947 31.987 -23.762 1.00 0.00 H new ATOM 1542 N GLU A 103 -7.907 27.770 -25.530 1.00 0.00 N ATOM 1543 CA GLU A 103 -7.544 26.689 -26.431 1.00 0.00 C ATOM 1544 C GLU A 103 -8.138 25.362 -25.965 1.00 0.00 C ATOM 1545 O GLU A 103 -8.058 24.353 -26.667 1.00 0.00 O ATOM 1546 CB GLU A 103 -6.023 26.576 -26.557 1.00 0.00 C ATOM 1547 CG GLU A 103 -5.538 26.484 -27.995 1.00 0.00 C ATOM 1548 CD GLU A 103 -5.038 25.099 -28.356 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -5.857 24.272 -28.809 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -3.828 24.841 -28.184 1.00 0.00 O ATOM 0 H GLU A 103 -7.150 28.097 -24.930 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.957 26.921 -27.413 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.562 27.441 -26.081 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.686 25.695 -26.011 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.351 26.759 -28.667 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.737 27.207 -28.151 1.00 0.00 H new ATOM 1557 N ARG A 104 -8.741 25.375 -24.783 1.00 0.00 N ATOM 1558 CA ARG A 104 -9.361 24.180 -24.222 1.00 0.00 C ATOM 1559 C ARG A 104 -10.886 24.267 -24.307 1.00 0.00 C ATOM 1560 O ARG A 104 -11.582 23.262 -24.159 1.00 0.00 O ATOM 1561 CB ARG A 104 -8.927 23.989 -22.767 1.00 0.00 C ATOM 1562 CG ARG A 104 -7.946 22.844 -22.571 1.00 0.00 C ATOM 1563 CD ARG A 104 -7.537 22.703 -21.114 1.00 0.00 C ATOM 1564 NE ARG A 104 -6.323 21.906 -20.961 1.00 0.00 N ATOM 1565 CZ ARG A 104 -6.299 20.576 -21.011 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -7.419 19.891 -21.209 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -5.151 19.929 -20.863 1.00 0.00 N ATOM 0 H ARG A 104 -8.814 26.203 -24.192 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.031 23.321 -24.806 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.472 24.912 -22.408 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.810 23.809 -22.154 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.398 21.914 -22.915 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.061 23.013 -23.184 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.378 23.692 -20.685 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.348 22.239 -20.553 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.442 22.397 -20.807 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.305 20.384 -21.324 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.394 18.872 -21.246 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.288 20.450 -20.711 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.131 18.910 -20.901 1.00 0.00 H new ATOM 1581 N GLY A 105 -11.398 25.472 -24.552 1.00 0.00 N ATOM 1582 CA GLY A 105 -12.832 25.663 -24.659 1.00 0.00 C ATOM 1583 C GLY A 105 -13.524 25.714 -23.310 1.00 0.00 C ATOM 1584 O GLY A 105 -14.250 24.789 -22.944 1.00 0.00 O ATOM 0 H GLY A 105 -10.843 26.319 -24.678 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.031 26.589 -25.199 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.258 24.852 -25.250 1.00 0.00 H new ATOM 1588 N ILE A 106 -13.307 26.799 -22.571 1.00 0.00 N ATOM 1589 CA ILE A 106 -13.918 26.966 -21.265 1.00 0.00 C ATOM 1590 C ILE A 106 -14.627 28.323 -21.185 1.00 0.00 C ATOM 1591 O ILE A 106 -14.953 28.920 -22.211 1.00 0.00 O ATOM 1592 CB ILE A 106 -12.861 26.822 -20.140 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -13.501 26.253 -18.871 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -12.170 28.151 -19.852 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -13.143 24.807 -18.610 1.00 0.00 C ATOM 0 H ILE A 106 -12.711 27.575 -22.859 1.00 0.00 H new ATOM 0 HA ILE A 106 -14.661 26.181 -21.124 1.00 0.00 H new ATOM 0 HB ILE A 106 -12.098 26.123 -20.484 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -13.192 26.855 -18.017 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -14.585 26.342 -18.949 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.435 28.015 -19.059 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -11.669 28.504 -20.754 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -12.911 28.886 -19.538 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -13.631 24.471 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -13.477 24.193 -19.446 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -12.063 24.714 -18.500 1.00 0.00 H new ATOM 1607 N THR A 107 -14.861 28.805 -19.973 1.00 0.00 N ATOM 1608 CA THR A 107 -15.526 30.087 -19.773 1.00 0.00 C ATOM 1609 C THR A 107 -14.886 30.855 -18.621 1.00 0.00 C ATOM 1610 O THR A 107 -14.924 30.416 -17.472 1.00 0.00 O ATOM 1611 CB THR A 107 -17.015 29.876 -19.496 1.00 0.00 C ATOM 1612 OG1 THR A 107 -17.228 28.669 -18.785 1.00 0.00 O ATOM 1613 CG2 THR A 107 -17.854 29.822 -20.755 1.00 0.00 C ATOM 0 H THR A 107 -14.600 28.327 -19.110 1.00 0.00 H new ATOM 0 HA THR A 107 -15.414 30.673 -20.685 1.00 0.00 H new ATOM 0 HB THR A 107 -17.325 30.739 -18.907 1.00 0.00 H new ATOM 0 HG1 THR A 107 -18.186 28.554 -18.616 1.00 0.00 H new ATOM 0 HG21 THR A 107 -18.900 29.670 -20.489 1.00 0.00 H new ATOM 0 HG22 THR A 107 -17.751 30.759 -21.302 1.00 0.00 H new ATOM 0 HG23 THR A 107 -17.516 28.997 -21.382 1.00 0.00 H new ATOM 1621 N PHE A 108 -14.298 32.004 -18.937 1.00 0.00 N ATOM 1622 CA PHE A 108 -13.648 32.833 -17.928 1.00 0.00 C ATOM 1623 C PHE A 108 -13.951 34.311 -18.157 1.00 0.00 C ATOM 1624 O PHE A 108 -13.413 34.929 -19.075 1.00 0.00 O ATOM 1625 CB PHE A 108 -12.136 32.602 -17.946 1.00 0.00 C ATOM 1626 CG PHE A 108 -11.512 32.847 -19.289 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -11.833 32.046 -20.373 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -10.606 33.880 -19.469 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -11.263 32.269 -21.611 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -10.032 34.109 -20.705 1.00 0.00 C ATOM 1631 CZ PHE A 108 -10.360 33.303 -21.777 1.00 0.00 C ATOM 0 H PHE A 108 -14.258 32.382 -19.883 1.00 0.00 H new ATOM 0 HA PHE A 108 -14.042 32.548 -16.952 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -11.667 33.256 -17.211 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.929 31.577 -17.639 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.538 31.237 -20.248 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -10.346 34.513 -18.634 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.522 31.637 -22.448 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.328 34.918 -20.832 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.912 33.480 -22.744 1.00 0.00 H new ATOM 1641 N LYS A 109 -14.815 34.869 -17.316 1.00 0.00 N ATOM 1642 CA LYS A 109 -15.189 36.275 -17.425 1.00 0.00 C ATOM 1643 C LYS A 109 -16.130 36.674 -16.293 1.00 0.00 C ATOM 1644 O LYS A 109 -17.055 37.463 -16.488 1.00 0.00 O ATOM 1645 CB LYS A 109 -15.852 36.545 -18.776 1.00 0.00 C ATOM 1646 CG LYS A 109 -15.623 37.958 -19.294 1.00 0.00 C ATOM 1647 CD LYS A 109 -16.912 38.766 -19.305 1.00 0.00 C ATOM 1648 CE LYS A 109 -16.638 40.249 -19.500 1.00 0.00 C ATOM 1649 NZ LYS A 109 -16.409 40.947 -18.205 1.00 0.00 N ATOM 0 H LYS A 109 -15.270 34.370 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.282 36.875 -17.349 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -15.471 35.832 -19.507 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.924 36.368 -18.687 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.884 38.460 -18.670 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.212 37.914 -20.302 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -17.561 38.407 -20.104 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -17.446 38.614 -18.367 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.765 40.376 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.481 40.709 -20.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.226 41.955 -18.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.252 40.848 -17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.589 40.525 -17.724 1.00 0.00 H new ATOM 1663 N GLN A 110 -15.887 36.122 -15.109 1.00 0.00 N ATOM 1664 CA GLN A 110 -16.711 36.417 -13.943 1.00 0.00 C ATOM 1665 C GLN A 110 -16.164 35.721 -12.701 1.00 0.00 C ATOM 1666 O GLN A 110 -15.966 36.349 -11.662 1.00 0.00 O ATOM 1667 CB GLN A 110 -18.157 35.985 -14.190 1.00 0.00 C ATOM 1668 CG GLN A 110 -18.285 34.584 -14.766 1.00 0.00 C ATOM 1669 CD GLN A 110 -19.353 34.490 -15.839 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -20.351 33.790 -15.678 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -19.144 35.197 -16.944 1.00 0.00 N ATOM 0 H GLN A 110 -15.125 35.467 -14.932 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.686 37.494 -13.775 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -18.707 36.034 -13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -18.627 36.693 -14.872 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.326 34.278 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -18.519 33.885 -13.963 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.301 35.764 -17.035 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -19.826 35.172 -17.702 1.00 0.00 H new ATOM 1680 N SER A 111 -15.921 34.419 -12.817 1.00 0.00 N ATOM 1681 CA SER A 111 -15.394 33.638 -11.704 1.00 0.00 C ATOM 1682 C SER A 111 -13.898 33.405 -11.867 1.00 0.00 C ATOM 1683 O SER A 111 -13.097 33.878 -11.060 1.00 0.00 O ATOM 1684 CB SER A 111 -16.126 32.300 -11.595 1.00 0.00 C ATOM 1685 OG SER A 111 -15.863 31.482 -12.723 1.00 0.00 O ATOM 0 H SER A 111 -16.081 33.883 -13.670 1.00 0.00 H new ATOM 0 HA SER A 111 -15.557 34.203 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.814 31.784 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 111 -17.199 32.474 -11.510 1.00 0.00 H new ATOM 0 HG SER A 111 -16.341 30.632 -12.629 1.00 0.00 H new ATOM 1691 N ALA A 112 -13.522 32.681 -12.918 1.00 0.00 N ATOM 1692 CA ALA A 112 -12.114 32.401 -13.181 1.00 0.00 C ATOM 1693 C ALA A 112 -11.398 33.667 -13.632 1.00 0.00 C ATOM 1694 O ALA A 112 -10.934 33.764 -14.768 1.00 0.00 O ATOM 1695 CB ALA A 112 -11.972 31.306 -14.229 1.00 0.00 C ATOM 0 H ALA A 112 -14.168 32.280 -13.597 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.653 32.052 -12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.915 31.112 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.452 30.395 -13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.447 31.626 -15.156 1.00 0.00 H new ATOM 1701 N THR A 113 -11.322 34.643 -12.732 1.00 0.00 N ATOM 1702 CA THR A 113 -10.677 35.911 -13.033 1.00 0.00 C ATOM 1703 C THR A 113 -9.206 35.717 -13.376 1.00 0.00 C ATOM 1704 O THR A 113 -8.818 35.795 -14.542 1.00 0.00 O ATOM 1705 CB THR A 113 -10.823 36.873 -11.856 1.00 0.00 C ATOM 1706 OG1 THR A 113 -12.083 36.712 -11.229 1.00 0.00 O ATOM 1707 CG2 THR A 113 -10.695 38.320 -12.263 1.00 0.00 C ATOM 0 H THR A 113 -11.701 34.577 -11.787 1.00 0.00 H new ATOM 0 HA THR A 113 -11.172 36.339 -13.905 1.00 0.00 H new ATOM 0 HB THR A 113 -10.011 36.626 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.156 37.336 -10.477 1.00 0.00 H new ATOM 0 HG21 THR A 113 -10.807 38.956 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.715 38.487 -12.709 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.470 38.564 -12.989 1.00 0.00 H new ATOM 1715 N LYS A 114 -8.385 35.464 -12.362 1.00 0.00 N ATOM 1716 CA LYS A 114 -6.961 35.262 -12.582 1.00 0.00 C ATOM 1717 C LYS A 114 -6.385 34.251 -11.602 1.00 0.00 C ATOM 1718 O LYS A 114 -5.822 33.238 -12.005 1.00 0.00 O ATOM 1719 CB LYS A 114 -6.207 36.590 -12.469 1.00 0.00 C ATOM 1720 CG LYS A 114 -6.661 37.455 -11.303 1.00 0.00 C ATOM 1721 CD LYS A 114 -6.273 38.912 -11.506 1.00 0.00 C ATOM 1722 CE LYS A 114 -5.092 39.302 -10.630 1.00 0.00 C ATOM 1723 NZ LYS A 114 -4.399 40.517 -11.140 1.00 0.00 N ATOM 0 H LYS A 114 -8.680 35.395 -11.388 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.836 34.866 -13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.142 36.385 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.334 37.150 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.742 37.378 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.217 37.084 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.022 39.080 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.125 39.552 -11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.439 39.482 -9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.385 38.474 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.601 40.749 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.045 40.337 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.066 41.315 -11.160 1.00 0.00 H new ATOM 1737 N ALA A 115 -6.531 34.522 -10.317 1.00 0.00 N ATOM 1738 CA ALA A 115 -6.019 33.619 -9.298 1.00 0.00 C ATOM 1739 C ALA A 115 -6.797 32.310 -9.284 1.00 0.00 C ATOM 1740 O ALA A 115 -6.298 31.284 -8.823 1.00 0.00 O ATOM 1741 CB ALA A 115 -6.067 34.282 -7.929 1.00 0.00 C ATOM 0 H ALA A 115 -6.997 35.354 -9.955 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.981 33.391 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.681 33.593 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.458 35.186 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.097 34.542 -7.687 1.00 0.00 H new ATOM 1747 N GLU A 116 -8.025 32.352 -9.789 1.00 0.00 N ATOM 1748 CA GLU A 116 -8.871 31.168 -9.827 1.00 0.00 C ATOM 1749 C GLU A 116 -8.613 30.326 -11.071 1.00 0.00 C ATOM 1750 O GLU A 116 -8.669 29.097 -11.015 1.00 0.00 O ATOM 1751 CB GLU A 116 -10.346 31.565 -9.759 1.00 0.00 C ATOM 1752 CG GLU A 116 -10.669 32.516 -8.619 1.00 0.00 C ATOM 1753 CD GLU A 116 -11.681 31.941 -7.647 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -11.347 30.957 -6.955 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -12.808 32.476 -7.578 1.00 0.00 O ATOM 0 H GLU A 116 -8.455 33.192 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.621 30.561 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.632 32.031 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.951 30.665 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.752 32.758 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.054 33.450 -9.028 1.00 0.00 H new ATOM 1762 N LEU A 117 -8.339 30.980 -12.195 1.00 0.00 N ATOM 1763 CA LEU A 117 -8.087 30.253 -13.433 1.00 0.00 C ATOM 1764 C LEU A 117 -6.713 29.612 -13.405 1.00 0.00 C ATOM 1765 O LEU A 117 -6.521 28.504 -13.907 1.00 0.00 O ATOM 1766 CB LEU A 117 -8.247 31.163 -14.663 1.00 0.00 C ATOM 1767 CG LEU A 117 -6.977 31.577 -15.397 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -7.176 31.390 -16.887 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -6.632 33.021 -15.082 1.00 0.00 C ATOM 0 H LEU A 117 -8.286 31.996 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.833 29.462 -13.514 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.898 30.656 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -8.764 32.069 -14.347 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.148 30.951 -15.066 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.269 31.685 -17.415 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.393 30.343 -17.096 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.009 32.007 -17.223 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.723 33.302 -15.613 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.451 33.668 -15.397 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.474 33.132 -14.009 1.00 0.00 H new ATOM 1781 N ILE A 118 -5.757 30.313 -12.818 1.00 0.00 N ATOM 1782 CA ILE A 118 -4.406 29.803 -12.735 1.00 0.00 C ATOM 1783 C ILE A 118 -4.359 28.544 -11.868 1.00 0.00 C ATOM 1784 O ILE A 118 -3.581 27.626 -12.130 1.00 0.00 O ATOM 1785 CB ILE A 118 -3.426 30.857 -12.167 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -3.634 31.042 -10.661 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -3.583 32.188 -12.886 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -2.768 30.135 -9.816 1.00 0.00 C ATOM 0 H ILE A 118 -5.894 31.231 -12.395 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.093 29.559 -13.750 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.413 30.491 -12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -3.425 32.079 -10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.681 30.858 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.883 32.912 -12.468 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.376 32.055 -13.948 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.602 32.553 -12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.968 30.321 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.993 29.095 -10.051 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.717 30.335 -10.027 1.00 0.00 H new ATOM 1800 N ALA A 119 -5.193 28.515 -10.828 1.00 0.00 N ATOM 1801 CA ALA A 119 -5.246 27.377 -9.915 1.00 0.00 C ATOM 1802 C ALA A 119 -6.191 26.288 -10.417 1.00 0.00 C ATOM 1803 O ALA A 119 -6.018 25.111 -10.104 1.00 0.00 O ATOM 1804 CB ALA A 119 -5.664 27.838 -8.527 1.00 0.00 C ATOM 0 H ALA A 119 -5.841 29.268 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.246 26.946 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.700 26.981 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.942 28.563 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.650 28.300 -8.579 1.00 0.00 H new ATOM 1810 N LEU A 120 -7.201 26.692 -11.178 1.00 0.00 N ATOM 1811 CA LEU A 120 -8.186 25.753 -11.705 1.00 0.00 C ATOM 1812 C LEU A 120 -7.557 24.768 -12.689 1.00 0.00 C ATOM 1813 O LEU A 120 -8.010 23.630 -12.809 1.00 0.00 O ATOM 1814 CB LEU A 120 -9.333 26.518 -12.377 1.00 0.00 C ATOM 1815 CG LEU A 120 -10.293 25.680 -13.231 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -9.696 25.425 -14.605 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -10.637 24.366 -12.537 1.00 0.00 C ATOM 0 H LEU A 120 -7.360 27.664 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 120 -8.579 25.176 -10.868 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.912 27.019 -11.601 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.903 27.297 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.218 26.243 -13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.390 24.829 -15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.515 26.376 -15.105 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.754 24.886 -14.498 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.319 23.791 -13.164 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.725 23.792 -12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.113 24.574 -11.579 1.00 0.00 H new ATOM 1829 N PHE A 121 -6.519 25.206 -13.395 1.00 0.00 N ATOM 1830 CA PHE A 121 -5.849 24.350 -14.368 1.00 0.00 C ATOM 1831 C PHE A 121 -5.252 23.116 -13.697 1.00 0.00 C ATOM 1832 O PHE A 121 -4.064 23.086 -13.380 1.00 0.00 O ATOM 1833 CB PHE A 121 -4.754 25.126 -15.094 1.00 0.00 C ATOM 1834 CG PHE A 121 -5.124 25.517 -16.492 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -5.197 24.568 -17.498 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -5.389 26.836 -16.802 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -5.530 24.931 -18.785 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -5.720 27.207 -18.085 1.00 0.00 C ATOM 1839 CZ PHE A 121 -5.792 26.254 -19.080 1.00 0.00 C ATOM 0 H PHE A 121 -6.125 26.143 -13.312 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.594 24.021 -15.092 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.518 26.025 -14.524 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -3.848 24.520 -15.122 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.991 23.532 -17.271 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.336 27.587 -16.027 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -5.586 24.182 -19.561 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.923 28.243 -18.313 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.053 26.542 -20.088 1.00 0.00 H new