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 180:sc= -6.83! USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0988 USER MOD Single : A 13 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.4) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.089) 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= 0.0562 USER MOD Single : A 41 GLN : amide:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 44 GLN : amide:sc= -0.0288 K(o=-0.029,f=-3.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.55 K(o=-1.5,f=-8.6!) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.0281 USER MOD Single : A 90 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.52) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -5.88! (180deg=-6.44!) USER MOD Single : A 100 GLN : amide:sc= -2.01 X(o=-2,f=-2!) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.01 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.088) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.351 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.927 1.147 13.397 1.00 0.00 N ATOM 91 CA THR A 7 16.667 1.555 12.022 1.00 0.00 C ATOM 92 C THR A 7 16.824 0.376 11.070 1.00 0.00 C ATOM 93 O THR A 7 17.832 -0.331 11.102 1.00 0.00 O ATOM 94 CB THR A 7 17.633 2.664 11.631 1.00 0.00 C ATOM 95 OG1 THR A 7 17.456 3.037 10.280 1.00 0.00 O ATOM 96 CG2 THR A 7 19.079 2.269 11.819 1.00 0.00 C ATOM 0 HA THR A 7 15.642 1.919 11.953 1.00 0.00 H new ATOM 0 HB THR A 7 17.406 3.500 12.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.086 3.752 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.724 3.097 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.256 2.025 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.302 1.399 11.201 1.00 0.00 H new ATOM 104 N PHE A 8 15.825 0.171 10.222 1.00 0.00 N ATOM 105 CA PHE A 8 15.855 -0.927 9.257 1.00 0.00 C ATOM 106 C PHE A 8 15.146 -0.568 7.959 1.00 0.00 C ATOM 107 O PHE A 8 14.203 0.222 7.950 1.00 0.00 O ATOM 108 CB PHE A 8 15.211 -2.178 9.847 1.00 0.00 C ATOM 109 CG PHE A 8 14.229 -1.887 10.939 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.666 -1.620 12.227 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.869 -1.884 10.678 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.764 -1.357 13.239 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.961 -1.620 11.687 1.00 0.00 C ATOM 114 CZ PHE A 8 12.409 -1.358 12.968 1.00 0.00 C ATOM 0 H PHE A 8 14.985 0.747 10.180 1.00 0.00 H new ATOM 0 HA PHE A 8 16.904 -1.120 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.706 -2.726 9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.993 -2.830 10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.724 -1.618 12.442 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.515 -2.089 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.116 -1.151 14.239 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.902 -1.619 11.474 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.700 -1.154 13.757 1.00 0.00 H new ATOM 124 N CYS A 9 15.576 -1.193 6.871 1.00 0.00 N ATOM 125 CA CYS A 9 14.958 -0.977 5.570 1.00 0.00 C ATOM 126 C CYS A 9 13.864 -2.026 5.359 1.00 0.00 C ATOM 127 O CYS A 9 14.120 -3.224 5.474 1.00 0.00 O ATOM 128 CB CYS A 9 16.006 -1.068 4.453 1.00 0.00 C ATOM 129 SG CYS A 9 17.642 -0.444 4.910 1.00 0.00 S ATOM 0 H CYS A 9 16.352 -1.855 6.864 1.00 0.00 H new ATOM 0 HA CYS A 9 14.520 0.021 5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 9 16.101 -2.109 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.647 -0.511 3.588 1.00 0.00 H new ATOM 0 HG CYS A 9 18.451 -0.568 3.900 1.00 0.00 H new ATOM 135 N VAL A 10 12.644 -1.579 5.074 1.00 0.00 N ATOM 136 CA VAL A 10 11.525 -2.502 4.880 1.00 0.00 C ATOM 137 C VAL A 10 11.079 -2.545 3.429 1.00 0.00 C ATOM 138 O VAL A 10 11.213 -1.574 2.698 1.00 0.00 O ATOM 139 CB VAL A 10 10.319 -2.123 5.775 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.139 -1.596 4.958 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.892 -3.313 6.613 1.00 0.00 C ATOM 0 H VAL A 10 12.404 -0.593 4.973 1.00 0.00 H new ATOM 0 HA VAL A 10 11.884 -3.491 5.166 1.00 0.00 H new ATOM 0 HB VAL A 10 10.642 -1.317 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.317 -1.343 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.446 -0.706 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.812 -2.362 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.044 -3.033 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.604 -4.135 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.721 -3.628 7.247 1.00 0.00 H new ATOM 151 N VAL A 11 10.543 -3.681 3.020 1.00 0.00 N ATOM 152 CA VAL A 11 10.080 -3.844 1.655 1.00 0.00 C ATOM 153 C VAL A 11 8.745 -4.582 1.605 1.00 0.00 C ATOM 154 O VAL A 11 8.561 -5.605 2.264 1.00 0.00 O ATOM 155 CB VAL A 11 11.130 -4.586 0.821 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.486 -5.909 1.473 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.654 -4.786 -0.612 1.00 0.00 C ATOM 0 H VAL A 11 10.418 -4.502 3.612 1.00 0.00 H new ATOM 0 HA VAL A 11 9.929 -2.851 1.232 1.00 0.00 H new ATOM 0 HB VAL A 11 12.031 -3.973 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.233 -6.423 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.889 -5.727 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.593 -6.528 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.420 -5.315 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.734 -5.371 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.467 -3.816 -1.072 1.00 0.00 H new ATOM 167 N VAL A 12 7.815 -4.040 0.826 1.00 0.00 N ATOM 168 CA VAL A 12 6.487 -4.625 0.693 1.00 0.00 C ATOM 169 C VAL A 12 6.340 -5.404 -0.607 1.00 0.00 C ATOM 170 O VAL A 12 6.186 -4.822 -1.679 1.00 0.00 O ATOM 171 CB VAL A 12 5.400 -3.537 0.737 1.00 0.00 C ATOM 172 CG1 VAL A 12 5.358 -2.881 2.108 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.637 -2.500 -0.352 1.00 0.00 C ATOM 0 H VAL A 12 7.958 -3.193 0.275 1.00 0.00 H new ATOM 0 HA VAL A 12 6.363 -5.308 1.533 1.00 0.00 H new ATOM 0 HB VAL A 12 4.433 -4.007 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.584 -2.114 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.136 -3.633 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.324 -2.424 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.858 -1.739 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.611 -2.033 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.612 -2.985 -1.328 1.00 0.00 H new ATOM 183 N GLN A 13 6.366 -6.726 -0.500 1.00 0.00 N ATOM 184 CA GLN A 13 6.214 -7.586 -1.667 1.00 0.00 C ATOM 185 C GLN A 13 4.793 -8.133 -1.730 1.00 0.00 C ATOM 186 O GLN A 13 4.417 -9.002 -0.941 1.00 0.00 O ATOM 187 CB GLN A 13 7.225 -8.735 -1.622 1.00 0.00 C ATOM 188 CG GLN A 13 8.291 -8.645 -2.702 1.00 0.00 C ATOM 189 CD GLN A 13 9.046 -9.948 -2.884 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.221 -10.427 -4.004 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.499 -10.527 -1.779 1.00 0.00 N ATOM 0 H GLN A 13 6.491 -7.226 0.381 1.00 0.00 H new ATOM 0 HA GLN A 13 6.405 -6.996 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.708 -8.746 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.693 -9.681 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.824 -8.365 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.996 -7.853 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.331 -10.094 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.015 -11.405 -1.838 1.00 0.00 H new ATOM 200 N ASN A 14 4.001 -7.613 -2.661 1.00 0.00 N ATOM 201 CA ASN A 14 2.615 -8.045 -2.808 1.00 0.00 C ATOM 202 C ASN A 14 2.315 -8.497 -4.230 1.00 0.00 C ATOM 203 O ASN A 14 2.835 -7.944 -5.199 1.00 0.00 O ATOM 204 CB ASN A 14 1.657 -6.912 -2.426 1.00 0.00 C ATOM 205 CG ASN A 14 2.119 -5.561 -2.937 1.00 0.00 C ATOM 206 OD1 ASN A 14 3.040 -4.957 -2.387 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.481 -5.081 -3.998 1.00 0.00 N ATOM 0 H ASN A 14 4.293 -6.894 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 14 2.469 -8.892 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.666 -7.128 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.561 -6.873 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.749 -4.178 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.723 -5.616 -4.422 1.00 0.00 H new ATOM 482 N ASP A 31 7.307 -4.691 -5.506 1.00 0.00 N ATOM 483 CA ASP A 31 8.109 -4.584 -4.295 1.00 0.00 C ATOM 484 C ASP A 31 8.789 -3.224 -4.201 1.00 0.00 C ATOM 485 O ASP A 31 9.466 -2.787 -5.132 1.00 0.00 O ATOM 486 CB ASP A 31 9.162 -5.691 -4.254 1.00 0.00 C ATOM 487 CG ASP A 31 9.900 -5.839 -5.570 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.308 -6.388 -6.523 1.00 0.00 O ATOM 489 OD2 ASP A 31 11.068 -5.406 -5.648 1.00 0.00 O ATOM 0 HA ASP A 31 7.438 -4.693 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.879 -5.477 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.681 -6.636 -4.002 1.00 0.00 H new ATOM 494 N ASN A 32 8.611 -2.567 -3.063 1.00 0.00 N ATOM 495 CA ASN A 32 9.212 -1.260 -2.827 1.00 0.00 C ATOM 496 C ASN A 32 10.003 -1.279 -1.526 1.00 0.00 C ATOM 497 O ASN A 32 9.483 -1.677 -0.487 1.00 0.00 O ATOM 498 CB ASN A 32 8.133 -0.177 -2.771 1.00 0.00 C ATOM 499 CG ASN A 32 7.851 0.430 -4.132 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.752 0.950 -4.791 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.595 0.366 -4.561 1.00 0.00 N ATOM 0 H ASN A 32 8.053 -2.919 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 32 9.888 -1.033 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.214 -0.604 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.446 0.609 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.346 0.757 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.880 -0.074 -3.982 1.00 0.00 H new ATOM 508 N SER A 33 11.263 -0.862 -1.587 1.00 0.00 N ATOM 509 CA SER A 33 12.111 -0.854 -0.404 1.00 0.00 C ATOM 510 C SER A 33 11.962 0.434 0.386 1.00 0.00 C ATOM 511 O SER A 33 11.771 1.512 -0.175 1.00 0.00 O ATOM 512 CB SER A 33 13.580 -1.047 -0.772 1.00 0.00 C ATOM 513 OG SER A 33 13.784 -2.275 -1.447 1.00 0.00 O ATOM 0 H SER A 33 11.716 -0.528 -2.438 1.00 0.00 H new ATOM 0 HA SER A 33 11.783 -1.688 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.910 -0.223 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.190 -1.020 0.131 1.00 0.00 H new ATOM 0 HG SER A 33 14.733 -2.371 -1.672 1.00 0.00 H new ATOM 519 N LEU A 34 12.060 0.297 1.695 1.00 0.00 N ATOM 520 CA LEU A 34 11.950 1.423 2.604 1.00 0.00 C ATOM 521 C LEU A 34 13.303 1.691 3.257 1.00 0.00 C ATOM 522 O LEU A 34 14.002 0.759 3.643 1.00 0.00 O ATOM 523 CB LEU A 34 10.875 1.130 3.669 1.00 0.00 C ATOM 524 CG LEU A 34 10.794 2.097 4.842 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.700 1.602 5.953 1.00 0.00 C ATOM 526 CD2 LEU A 34 11.145 3.523 4.438 1.00 0.00 C ATOM 0 H LEU A 34 12.218 -0.598 2.158 1.00 0.00 H new ATOM 0 HA LEU A 34 11.652 2.313 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.903 1.111 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.051 0.130 4.064 1.00 0.00 H new ATOM 0 HG LEU A 34 9.764 2.127 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.648 2.289 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.377 0.611 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.726 1.550 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.073 4.176 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.162 3.550 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.451 3.865 3.670 1.00 0.00 H new ATOM 538 N ALA A 35 13.669 2.960 3.378 1.00 0.00 N ATOM 539 CA ALA A 35 14.930 3.338 3.981 1.00 0.00 C ATOM 540 C ALA A 35 14.897 3.072 5.474 1.00 0.00 C ATOM 541 O ALA A 35 13.833 2.993 6.076 1.00 0.00 O ATOM 542 CB ALA A 35 15.237 4.796 3.708 1.00 0.00 C ATOM 0 H ALA A 35 13.102 3.747 3.062 1.00 0.00 H new ATOM 0 HA ALA A 35 15.721 2.735 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.188 5.060 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.298 4.960 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.446 5.419 4.126 1.00 0.00 H new ATOM 548 N ALA A 36 16.061 2.905 6.060 1.00 0.00 N ATOM 549 CA ALA A 36 16.150 2.598 7.478 1.00 0.00 C ATOM 550 C ALA A 36 15.765 3.794 8.339 1.00 0.00 C ATOM 551 O ALA A 36 16.480 4.793 8.406 1.00 0.00 O ATOM 552 CB ALA A 36 17.553 2.121 7.818 1.00 0.00 C ATOM 0 H ALA A 36 16.959 2.975 5.582 1.00 0.00 H new ATOM 0 HA ALA A 36 15.439 1.801 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.612 1.893 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.782 1.225 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.272 2.903 7.574 1.00 0.00 H new ATOM 558 N VAL A 37 14.606 3.668 8.992 1.00 0.00 N ATOM 559 CA VAL A 37 14.079 4.719 9.856 1.00 0.00 C ATOM 560 C VAL A 37 13.705 4.164 11.229 1.00 0.00 C ATOM 561 O VAL A 37 13.900 2.983 11.508 1.00 0.00 O ATOM 562 CB VAL A 37 12.840 5.415 9.221 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.846 5.271 7.707 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.532 4.866 9.786 1.00 0.00 C ATOM 0 H VAL A 37 14.013 2.840 8.935 1.00 0.00 H new ATOM 0 HA VAL A 37 14.870 5.460 9.974 1.00 0.00 H new ATOM 0 HB VAL A 37 12.906 6.473 9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.969 5.767 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.748 5.729 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.825 4.214 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.691 5.377 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.467 3.797 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.503 5.031 10.863 1.00 0.00 H new ATOM 574 N SER A 38 13.155 5.027 12.078 1.00 0.00 N ATOM 575 CA SER A 38 12.744 4.631 13.421 1.00 0.00 C ATOM 576 C SER A 38 11.860 3.384 13.388 1.00 0.00 C ATOM 577 O SER A 38 12.240 2.332 13.903 1.00 0.00 O ATOM 578 CB SER A 38 11.997 5.778 14.103 1.00 0.00 C ATOM 579 OG SER A 38 12.116 5.697 15.513 1.00 0.00 O ATOM 0 H SER A 38 12.983 6.008 11.859 1.00 0.00 H new ATOM 0 HA SER A 38 13.644 4.395 13.989 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.394 6.732 13.756 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.944 5.749 13.821 1.00 0.00 H new ATOM 0 HG SER A 38 11.631 6.442 15.926 1.00 0.00 H new ATOM 585 N GLU A 39 10.679 3.509 12.786 1.00 0.00 N ATOM 586 CA GLU A 39 9.745 2.386 12.698 1.00 0.00 C ATOM 587 C GLU A 39 8.478 2.747 11.916 1.00 0.00 C ATOM 588 O GLU A 39 7.731 1.860 11.500 1.00 0.00 O ATOM 589 CB GLU A 39 9.360 1.905 14.098 1.00 0.00 C ATOM 590 CG GLU A 39 8.708 0.533 14.111 1.00 0.00 C ATOM 591 CD GLU A 39 7.955 0.257 15.398 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.161 1.124 15.819 1.00 0.00 O ATOM 593 OE2 GLU A 39 8.158 -0.827 15.984 1.00 0.00 O ATOM 0 H GLU A 39 10.346 4.371 12.354 1.00 0.00 H new ATOM 0 HA GLU A 39 10.255 1.588 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.253 1.880 14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.677 2.627 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.021 0.453 13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.474 -0.230 13.972 1.00 0.00 H new ATOM 600 N SER A 40 8.227 4.045 11.730 1.00 0.00 N ATOM 601 CA SER A 40 7.038 4.510 11.011 1.00 0.00 C ATOM 602 C SER A 40 6.764 3.671 9.762 1.00 0.00 C ATOM 603 O SER A 40 5.610 3.445 9.402 1.00 0.00 O ATOM 604 CB SER A 40 7.201 5.979 10.622 1.00 0.00 C ATOM 605 OG SER A 40 7.881 6.704 11.633 1.00 0.00 O ATOM 0 H SER A 40 8.832 4.794 12.068 1.00 0.00 H new ATOM 0 HA SER A 40 6.185 4.400 11.681 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.753 6.051 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.221 6.423 10.449 1.00 0.00 H new ATOM 0 HG SER A 40 7.973 7.640 11.358 1.00 0.00 H new ATOM 611 N GLN A 41 7.827 3.211 9.110 1.00 0.00 N ATOM 612 CA GLN A 41 7.690 2.394 7.906 1.00 0.00 C ATOM 613 C GLN A 41 6.859 1.148 8.177 1.00 0.00 C ATOM 614 O GLN A 41 5.924 0.836 7.438 1.00 0.00 O ATOM 615 CB GLN A 41 9.060 1.979 7.386 1.00 0.00 C ATOM 616 CG GLN A 41 9.945 1.320 8.426 1.00 0.00 C ATOM 617 CD GLN A 41 9.801 -0.188 8.443 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.950 -0.753 7.756 1.00 0.00 O ATOM 619 NE2 GLN A 41 10.636 -0.844 9.232 1.00 0.00 N ATOM 0 H GLN A 41 8.791 3.389 9.393 1.00 0.00 H new ATOM 0 HA GLN A 41 7.182 2.999 7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.926 1.292 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.570 2.860 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.985 1.580 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.698 1.716 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.325 -0.332 9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.591 -1.861 9.289 1.00 0.00 H new ATOM 628 N LEU A 42 7.215 0.435 9.236 1.00 0.00 N ATOM 629 CA LEU A 42 6.515 -0.790 9.605 1.00 0.00 C ATOM 630 C LEU A 42 5.025 -0.534 9.795 1.00 0.00 C ATOM 631 O LEU A 42 4.188 -1.205 9.192 1.00 0.00 O ATOM 632 CB LEU A 42 7.112 -1.378 10.884 1.00 0.00 C ATOM 633 CG LEU A 42 6.514 -2.716 11.322 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.149 -3.862 10.551 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.694 -2.913 12.819 1.00 0.00 C ATOM 0 H LEU A 42 7.986 0.683 9.857 1.00 0.00 H new ATOM 0 HA LEU A 42 6.638 -1.506 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.185 -1.507 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.983 -0.658 11.692 1.00 0.00 H new ATOM 0 HG LEU A 42 5.446 -2.706 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.711 -4.806 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.969 -3.727 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.223 -3.876 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.263 -3.870 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.756 -2.903 13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.192 -2.108 13.355 1.00 0.00 H new ATOM 647 N ALA A 43 4.702 0.437 10.637 1.00 0.00 N ATOM 648 CA ALA A 43 3.314 0.780 10.905 1.00 0.00 C ATOM 649 C ALA A 43 2.667 1.446 9.696 1.00 0.00 C ATOM 650 O ALA A 43 1.453 1.367 9.509 1.00 0.00 O ATOM 651 CB ALA A 43 3.223 1.684 12.121 1.00 0.00 C ATOM 0 H ALA A 43 5.383 1.001 11.146 1.00 0.00 H new ATOM 0 HA ALA A 43 2.770 -0.142 11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.179 1.934 12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.637 1.170 12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.787 2.598 11.938 1.00 0.00 H new ATOM 657 N GLN A 44 3.482 2.101 8.873 1.00 0.00 N ATOM 658 CA GLN A 44 2.978 2.775 7.684 1.00 0.00 C ATOM 659 C GLN A 44 2.396 1.766 6.700 1.00 0.00 C ATOM 660 O GLN A 44 1.262 1.912 6.242 1.00 0.00 O ATOM 661 CB GLN A 44 4.094 3.580 7.014 1.00 0.00 C ATOM 662 CG GLN A 44 4.128 5.040 7.436 1.00 0.00 C ATOM 663 CD GLN A 44 5.247 5.815 6.770 1.00 0.00 C ATOM 664 OE1 GLN A 44 6.343 5.293 6.566 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.977 7.068 6.427 1.00 0.00 N ATOM 0 H GLN A 44 4.490 2.178 9.008 1.00 0.00 H new ATOM 0 HA GLN A 44 2.186 3.459 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.054 3.120 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.971 3.526 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.173 5.507 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.245 5.099 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.055 7.461 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.692 7.638 5.975 1.00 0.00 H new ATOM 674 N LEU A 45 3.180 0.743 6.380 1.00 0.00 N ATOM 675 CA LEU A 45 2.745 -0.295 5.454 1.00 0.00 C ATOM 676 C LEU A 45 1.812 -1.286 6.140 1.00 0.00 C ATOM 677 O LEU A 45 0.909 -1.842 5.516 1.00 0.00 O ATOM 678 CB LEU A 45 3.953 -1.030 4.873 1.00 0.00 C ATOM 679 CG LEU A 45 4.774 -0.231 3.859 1.00 0.00 C ATOM 680 CD1 LEU A 45 3.864 0.398 2.817 1.00 0.00 C ATOM 681 CD2 LEU A 45 5.609 0.830 4.560 1.00 0.00 C ATOM 0 H LEU A 45 4.122 0.610 6.749 1.00 0.00 H new ATOM 0 HA LEU A 45 2.197 0.186 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.607 -1.327 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.606 -1.946 4.395 1.00 0.00 H new ATOM 0 HG LEU A 45 5.454 -0.914 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.464 0.963 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.317 -0.385 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.158 1.068 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.185 1.387 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.952 1.514 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.289 0.351 5.264 1.00 0.00 H new ATOM 692 N LYS A 46 2.041 -1.502 7.429 1.00 0.00 N ATOM 693 CA LYS A 46 1.225 -2.428 8.208 1.00 0.00 C ATOM 694 C LYS A 46 -0.139 -1.824 8.529 1.00 0.00 C ATOM 695 O LYS A 46 -1.127 -2.543 8.672 1.00 0.00 O ATOM 696 CB LYS A 46 1.944 -2.810 9.504 1.00 0.00 C ATOM 697 CG LYS A 46 1.305 -3.980 10.233 1.00 0.00 C ATOM 698 CD LYS A 46 2.338 -4.783 11.010 1.00 0.00 C ATOM 699 CE LYS A 46 1.992 -6.263 11.032 1.00 0.00 C ATOM 700 NZ LYS A 46 2.650 -6.970 12.165 1.00 0.00 N ATOM 0 H LYS A 46 2.786 -1.049 7.959 1.00 0.00 H new ATOM 0 HA LYS A 46 1.070 -3.324 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.980 -3.058 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.962 -1.946 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.540 -3.611 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.804 -4.628 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.321 -4.645 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.399 -4.407 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.911 -6.382 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.298 -6.721 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.389 -7.976 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.682 -6.878 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.339 -6.550 13.064 1.00 0.00 H new ATOM 714 N ALA A 47 -0.186 -0.500 8.642 1.00 0.00 N ATOM 715 CA ALA A 47 -1.431 0.197 8.946 1.00 0.00 C ATOM 716 C ALA A 47 -2.516 -0.143 7.929 1.00 0.00 C ATOM 717 O ALA A 47 -3.548 -0.717 8.275 1.00 0.00 O ATOM 718 CB ALA A 47 -1.199 1.699 8.990 1.00 0.00 C ATOM 0 H ALA A 47 0.623 0.111 8.528 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.772 -0.136 9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.137 2.206 9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.464 1.931 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.829 2.039 8.023 1.00 0.00 H new ATOM 724 N ASP A 48 -2.274 0.217 6.673 1.00 0.00 N ATOM 725 CA ASP A 48 -3.230 -0.048 5.606 1.00 0.00 C ATOM 726 C ASP A 48 -3.222 -1.529 5.224 1.00 0.00 C ATOM 727 O ASP A 48 -2.191 -2.064 4.814 1.00 0.00 O ATOM 728 CB ASP A 48 -2.908 0.811 4.380 1.00 0.00 C ATOM 729 CG ASP A 48 -3.968 1.864 4.118 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.085 1.491 3.703 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.681 3.061 4.328 1.00 0.00 O ATOM 0 H ASP A 48 -1.424 0.693 6.370 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.225 0.209 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.944 1.298 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.813 0.169 3.504 1.00 0.00 H new ATOM 736 N PRO A 49 -4.373 -2.213 5.352 1.00 0.00 N ATOM 737 CA PRO A 49 -4.485 -3.635 5.019 1.00 0.00 C ATOM 738 C PRO A 49 -4.572 -3.875 3.515 1.00 0.00 C ATOM 739 O PRO A 49 -5.551 -4.434 3.020 1.00 0.00 O ATOM 740 CB PRO A 49 -5.787 -4.044 5.705 1.00 0.00 C ATOM 741 CG PRO A 49 -6.617 -2.808 5.693 1.00 0.00 C ATOM 742 CD PRO A 49 -5.654 -1.658 5.835 1.00 0.00 C ATOM 0 HA PRO A 49 -3.614 -4.205 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.278 -4.858 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.608 -4.392 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.185 -2.729 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.339 -2.815 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.967 -0.798 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.581 -1.323 6.869 1.00 0.00 H new ATOM 750 N ARG A 50 -3.542 -3.448 2.792 1.00 0.00 N ATOM 751 CA ARG A 50 -3.502 -3.616 1.344 1.00 0.00 C ATOM 752 C ARG A 50 -2.356 -4.536 0.932 1.00 0.00 C ATOM 753 O ARG A 50 -2.582 -5.623 0.401 1.00 0.00 O ATOM 754 CB ARG A 50 -3.360 -2.258 0.656 1.00 0.00 C ATOM 755 CG ARG A 50 -4.655 -1.464 0.602 1.00 0.00 C ATOM 756 CD ARG A 50 -4.881 -0.679 1.884 1.00 0.00 C ATOM 757 NE ARG A 50 -6.174 0.001 1.889 1.00 0.00 N ATOM 758 CZ ARG A 50 -7.327 -0.600 2.180 1.00 0.00 C ATOM 759 NH1 ARG A 50 -7.352 -1.891 2.488 1.00 0.00 N ATOM 760 NH2 ARG A 50 -8.457 0.094 2.162 1.00 0.00 N ATOM 0 H ARG A 50 -2.724 -2.983 3.185 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.439 -4.076 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.606 -1.672 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.995 -2.411 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.628 -0.779 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.492 -2.142 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.823 -1.354 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.085 0.056 2.004 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.195 0.994 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.485 -2.429 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.238 -2.345 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.442 1.086 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.341 -0.364 2.384 1.00 0.00 H new ATOM 774 N LEU A 51 -1.126 -4.096 1.184 1.00 0.00 N ATOM 775 CA LEU A 51 0.052 -4.886 0.841 1.00 0.00 C ATOM 776 C LEU A 51 0.692 -5.470 2.100 1.00 0.00 C ATOM 777 O LEU A 51 0.170 -5.309 3.203 1.00 0.00 O ATOM 778 CB LEU A 51 1.067 -4.034 0.070 1.00 0.00 C ATOM 779 CG LEU A 51 0.466 -3.009 -0.900 1.00 0.00 C ATOM 780 CD1 LEU A 51 -0.659 -3.630 -1.718 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.031 -1.784 -0.145 1.00 0.00 C ATOM 0 H LEU A 51 -0.920 -3.199 1.623 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.263 -5.710 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.692 -3.505 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.722 -4.700 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 51 1.250 -2.693 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.069 -2.884 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.270 -4.470 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.444 -3.981 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.454 -1.069 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.797 -2.084 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.801 -1.322 0.386 1.00 0.00 H new ATOM 793 N VAL A 52 1.818 -6.161 1.931 1.00 0.00 N ATOM 794 CA VAL A 52 2.511 -6.780 3.057 1.00 0.00 C ATOM 795 C VAL A 52 3.748 -5.983 3.469 1.00 0.00 C ATOM 796 O VAL A 52 4.427 -5.395 2.628 1.00 0.00 O ATOM 797 CB VAL A 52 2.932 -8.229 2.728 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.793 -8.971 2.050 1.00 0.00 C ATOM 799 CG2 VAL A 52 4.177 -8.253 1.848 1.00 0.00 C ATOM 0 H VAL A 52 2.268 -6.306 1.027 1.00 0.00 H new ATOM 0 HA VAL A 52 1.805 -6.789 3.888 1.00 0.00 H new ATOM 0 HB VAL A 52 3.170 -8.731 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.106 -9.991 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.928 -8.995 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.526 -8.461 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.450 -9.286 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.973 -7.729 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.999 -7.761 2.367 1.00 0.00 H new ATOM 809 N VAL A 53 4.041 -5.985 4.766 1.00 0.00 N ATOM 810 CA VAL A 53 5.207 -5.277 5.288 1.00 0.00 C ATOM 811 C VAL A 53 6.077 -6.209 6.124 1.00 0.00 C ATOM 812 O VAL A 53 5.645 -6.726 7.154 1.00 0.00 O ATOM 813 CB VAL A 53 4.798 -4.052 6.126 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.819 -4.445 7.224 1.00 0.00 C ATOM 815 CG2 VAL A 53 6.018 -3.347 6.709 1.00 0.00 C ATOM 0 H VAL A 53 3.489 -6.468 5.474 1.00 0.00 H new ATOM 0 HA VAL A 53 5.782 -4.927 4.431 1.00 0.00 H new ATOM 0 HB VAL A 53 4.296 -3.349 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.546 -3.562 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.924 -4.877 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.285 -5.178 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.695 -2.487 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.566 -4.038 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.666 -3.012 5.899 1.00 0.00 H new ATOM 825 N GLN A 54 7.303 -6.426 5.661 1.00 0.00 N ATOM 826 CA GLN A 54 8.241 -7.306 6.354 1.00 0.00 C ATOM 827 C GLN A 54 9.573 -6.607 6.609 1.00 0.00 C ATOM 828 O GLN A 54 10.079 -5.884 5.751 1.00 0.00 O ATOM 829 CB GLN A 54 8.469 -8.579 5.538 1.00 0.00 C ATOM 830 CG GLN A 54 8.572 -9.835 6.388 1.00 0.00 C ATOM 831 CD GLN A 54 9.996 -10.144 6.804 1.00 0.00 C ATOM 832 OE1 GLN A 54 10.861 -9.268 6.795 1.00 0.00 O ATOM 833 NE2 GLN A 54 10.249 -11.395 7.170 1.00 0.00 N ATOM 0 H GLN A 54 7.672 -6.005 4.808 1.00 0.00 H new ATOM 0 HA GLN A 54 7.805 -7.567 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.651 -8.697 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.384 -8.468 4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.955 -9.718 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.169 -10.680 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.502 -12.090 7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.190 -11.661 7.459 1.00 0.00 H new ATOM 842 N ILE A 55 10.137 -6.833 7.792 1.00 0.00 N ATOM 843 CA ILE A 55 11.414 -6.231 8.162 1.00 0.00 C ATOM 844 C ILE A 55 12.576 -7.175 7.877 1.00 0.00 C ATOM 845 O ILE A 55 12.665 -8.261 8.452 1.00 0.00 O ATOM 846 CB ILE A 55 11.438 -5.840 9.652 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.101 -7.050 10.527 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.464 -4.700 9.915 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.149 -7.344 11.577 1.00 0.00 C ATOM 0 H ILE A 55 9.729 -7.430 8.512 1.00 0.00 H new ATOM 0 HA ILE A 55 11.526 -5.333 7.554 1.00 0.00 H new ATOM 0 HB ILE A 55 12.442 -5.501 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.143 -6.878 11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.980 -7.926 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.492 -4.434 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.747 -3.834 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.455 -5.014 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.846 -8.213 12.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.103 -7.548 11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.254 -6.483 12.237 1.00 0.00 H new ATOM 861 N THR A 56 13.468 -6.753 6.987 1.00 0.00 N ATOM 862 CA THR A 56 14.629 -7.555 6.625 1.00 0.00 C ATOM 863 C THR A 56 15.919 -6.786 6.891 1.00 0.00 C ATOM 864 O THR A 56 16.277 -5.879 6.142 1.00 0.00 O ATOM 865 CB THR A 56 14.556 -7.961 5.152 1.00 0.00 C ATOM 866 OG1 THR A 56 14.086 -6.886 4.359 1.00 0.00 O ATOM 867 CG2 THR A 56 13.650 -9.147 4.903 1.00 0.00 C ATOM 0 H THR A 56 13.408 -5.857 6.502 1.00 0.00 H new ATOM 0 HA THR A 56 14.628 -8.455 7.241 1.00 0.00 H new ATOM 0 HB THR A 56 15.574 -8.238 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.585 -6.073 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.643 -9.383 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.015 -10.008 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.638 -8.906 5.228 1.00 0.00 H new ATOM 1312 N LEU A 89 6.216 18.414 -13.395 1.00 0.00 N ATOM 1313 CA LEU A 89 6.988 19.571 -12.955 1.00 0.00 C ATOM 1314 C LEU A 89 6.388 20.863 -13.501 1.00 0.00 C ATOM 1315 O LEU A 89 6.456 21.910 -12.860 1.00 0.00 O ATOM 1316 CB LEU A 89 8.445 19.441 -13.406 1.00 0.00 C ATOM 1317 CG LEU A 89 9.269 18.397 -12.648 1.00 0.00 C ATOM 1318 CD1 LEU A 89 9.455 18.816 -11.198 1.00 0.00 C ATOM 1319 CD2 LEU A 89 8.605 17.032 -12.730 1.00 0.00 C ATOM 0 HA LEU A 89 6.955 19.607 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.460 19.192 -14.467 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.930 20.411 -13.299 1.00 0.00 H new ATOM 0 HG LEU A 89 10.252 18.328 -13.114 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.043 18.062 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.975 19.773 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.480 18.913 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.205 16.302 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.609 17.085 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.524 16.729 -13.774 1.00 0.00 H new ATOM 1331 N ASN A 90 5.806 20.779 -14.694 1.00 0.00 N ATOM 1332 CA ASN A 90 5.194 21.938 -15.338 1.00 0.00 C ATOM 1333 C ASN A 90 4.261 22.686 -14.384 1.00 0.00 C ATOM 1334 O ASN A 90 4.269 23.916 -14.336 1.00 0.00 O ATOM 1335 CB ASN A 90 4.422 21.504 -16.585 1.00 0.00 C ATOM 1336 CG ASN A 90 4.281 22.624 -17.597 1.00 0.00 C ATOM 1337 OD1 ASN A 90 4.240 23.800 -17.238 1.00 0.00 O ATOM 1338 ND2 ASN A 90 4.206 22.261 -18.873 1.00 0.00 N ATOM 0 H ASN A 90 5.745 19.917 -15.236 1.00 0.00 H new ATOM 0 HA ASN A 90 5.997 22.617 -15.626 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.933 20.660 -17.050 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.431 21.155 -16.293 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.110 22.970 -19.600 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.244 21.273 -19.125 1.00 0.00 H new ATOM 1345 N THR A 91 3.449 21.940 -13.637 1.00 0.00 N ATOM 1346 CA THR A 91 2.504 22.543 -12.701 1.00 0.00 C ATOM 1347 C THR A 91 3.207 23.349 -11.602 1.00 0.00 C ATOM 1348 O THR A 91 2.564 24.127 -10.896 1.00 0.00 O ATOM 1349 CB THR A 91 1.634 21.458 -12.065 1.00 0.00 C ATOM 1350 OG1 THR A 91 1.211 20.519 -13.039 1.00 0.00 O ATOM 1351 CG2 THR A 91 0.396 22.006 -11.388 1.00 0.00 C ATOM 0 H THR A 91 3.427 20.921 -13.662 1.00 0.00 H new ATOM 0 HA THR A 91 1.883 23.234 -13.270 1.00 0.00 H new ATOM 0 HB THR A 91 2.264 20.987 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.657 19.832 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.177 21.185 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.689 22.697 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.217 22.531 -12.120 1.00 0.00 H new ATOM 1359 N PHE A 92 4.519 23.170 -11.453 1.00 0.00 N ATOM 1360 CA PHE A 92 5.275 23.895 -10.438 1.00 0.00 C ATOM 1361 C PHE A 92 6.270 24.851 -11.089 1.00 0.00 C ATOM 1362 O PHE A 92 7.304 24.429 -11.606 1.00 0.00 O ATOM 1363 CB PHE A 92 6.004 22.908 -9.519 1.00 0.00 C ATOM 1364 CG PHE A 92 5.120 21.817 -8.990 1.00 0.00 C ATOM 1365 CD1 PHE A 92 3.974 22.125 -8.275 1.00 0.00 C ATOM 1366 CD2 PHE A 92 5.434 20.485 -9.206 1.00 0.00 C ATOM 1367 CE1 PHE A 92 3.158 21.124 -7.783 1.00 0.00 C ATOM 1368 CE2 PHE A 92 4.622 19.480 -8.718 1.00 0.00 C ATOM 1369 CZ PHE A 92 3.483 19.800 -8.005 1.00 0.00 C ATOM 0 H PHE A 92 5.077 22.532 -12.021 1.00 0.00 H new ATOM 0 HA PHE A 92 4.579 24.483 -9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.833 22.459 -10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.434 23.455 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.715 23.159 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.324 20.230 -9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.268 21.376 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.877 18.445 -8.894 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.847 19.016 -7.621 1.00 0.00 H new ATOM 1379 N THR A 93 5.947 26.144 -11.063 1.00 0.00 N ATOM 1380 CA THR A 93 6.810 27.163 -11.655 1.00 0.00 C ATOM 1381 C THR A 93 7.905 27.596 -10.677 1.00 0.00 C ATOM 1382 O THR A 93 9.012 27.057 -10.698 1.00 0.00 O ATOM 1383 CB THR A 93 5.980 28.372 -12.094 1.00 0.00 C ATOM 1384 OG1 THR A 93 4.737 28.402 -11.414 1.00 0.00 O ATOM 1385 CG2 THR A 93 5.690 28.393 -13.579 1.00 0.00 C ATOM 0 H THR A 93 5.094 26.509 -10.638 1.00 0.00 H new ATOM 0 HA THR A 93 7.293 26.729 -12.531 1.00 0.00 H new ATOM 0 HB THR A 93 6.587 29.243 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.222 29.183 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.098 29.276 -13.822 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.629 28.422 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.134 27.497 -13.854 1.00 0.00 H new ATOM 1393 N VAL A 94 7.595 28.570 -9.823 1.00 0.00 N ATOM 1394 CA VAL A 94 8.561 29.064 -8.847 1.00 0.00 C ATOM 1395 C VAL A 94 7.869 29.529 -7.568 1.00 0.00 C ATOM 1396 O VAL A 94 8.169 29.044 -6.478 1.00 0.00 O ATOM 1397 CB VAL A 94 9.402 30.224 -9.419 1.00 0.00 C ATOM 1398 CG1 VAL A 94 10.586 30.524 -8.511 1.00 0.00 C ATOM 1399 CG2 VAL A 94 9.874 29.897 -10.829 1.00 0.00 C ATOM 0 H VAL A 94 6.686 29.030 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 94 9.223 28.230 -8.613 1.00 0.00 H new ATOM 0 HB VAL A 94 8.774 31.114 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.168 31.345 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.224 30.804 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.216 29.638 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.466 30.727 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.485 28.994 -10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.010 29.736 -11.474 1.00 0.00 H new ATOM 1409 N GLU A 95 6.936 30.463 -7.712 1.00 0.00 N ATOM 1410 CA GLU A 95 6.189 30.994 -6.574 1.00 0.00 C ATOM 1411 C GLU A 95 5.187 29.967 -6.051 1.00 0.00 C ATOM 1412 O GLU A 95 4.731 30.053 -4.911 1.00 0.00 O ATOM 1413 CB GLU A 95 5.462 32.280 -6.971 1.00 0.00 C ATOM 1414 CG GLU A 95 4.591 32.130 -8.208 1.00 0.00 C ATOM 1415 CD GLU A 95 5.205 32.778 -9.434 1.00 0.00 C ATOM 1416 OE1 GLU A 95 5.868 33.825 -9.283 1.00 0.00 O ATOM 1417 OE2 GLU A 95 5.022 32.237 -10.545 1.00 0.00 O ATOM 0 H GLU A 95 6.677 30.871 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 95 6.899 31.217 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.841 32.609 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.198 33.064 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.426 31.071 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.614 32.575 -8.017 1.00 0.00 H new ATOM 1424 N GLN A 96 4.851 28.999 -6.896 1.00 0.00 N ATOM 1425 CA GLN A 96 3.907 27.950 -6.538 1.00 0.00 C ATOM 1426 C GLN A 96 4.600 26.884 -5.715 1.00 0.00 C ATOM 1427 O GLN A 96 3.961 26.115 -4.999 1.00 0.00 O ATOM 1428 CB GLN A 96 3.309 27.322 -7.801 1.00 0.00 C ATOM 1429 CG GLN A 96 1.790 27.294 -7.807 1.00 0.00 C ATOM 1430 CD GLN A 96 1.204 27.662 -9.155 1.00 0.00 C ATOM 1431 OE1 GLN A 96 1.668 27.195 -10.196 1.00 0.00 O ATOM 1432 NE2 GLN A 96 0.177 28.504 -9.145 1.00 0.00 N ATOM 0 H GLN A 96 5.223 28.920 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 96 3.104 28.391 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.657 27.877 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.683 26.303 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.448 26.298 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.415 27.984 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.176 28.867 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.259 28.787 -10.023 1.00 0.00 H new ATOM 1441 N LEU A 97 5.914 26.845 -5.835 1.00 0.00 N ATOM 1442 CA LEU A 97 6.717 25.881 -5.122 1.00 0.00 C ATOM 1443 C LEU A 97 6.884 26.330 -3.684 1.00 0.00 C ATOM 1444 O LEU A 97 6.508 25.631 -2.744 1.00 0.00 O ATOM 1445 CB LEU A 97 8.097 25.744 -5.775 1.00 0.00 C ATOM 1446 CG LEU A 97 8.156 25.448 -7.283 1.00 0.00 C ATOM 1447 CD1 LEU A 97 7.039 26.118 -8.070 1.00 0.00 C ATOM 1448 CD2 LEU A 97 9.495 25.906 -7.817 1.00 0.00 C ATOM 0 H LEU A 97 6.449 27.480 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 97 6.215 24.914 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.645 26.669 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.634 24.949 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 97 8.026 24.373 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.138 25.869 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.074 25.767 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.103 27.199 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.550 25.702 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.608 26.977 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.294 25.370 -7.304 1.00 0.00 H new ATOM 1460 N LYS A 98 7.447 27.517 -3.534 1.00 0.00 N ATOM 1461 CA LYS A 98 7.673 28.105 -2.224 1.00 0.00 C ATOM 1462 C LYS A 98 6.356 28.337 -1.486 1.00 0.00 C ATOM 1463 O LYS A 98 6.329 28.382 -0.256 1.00 0.00 O ATOM 1464 CB LYS A 98 8.422 29.428 -2.374 1.00 0.00 C ATOM 1465 CG LYS A 98 7.660 30.471 -3.174 1.00 0.00 C ATOM 1466 CD LYS A 98 8.592 31.527 -3.748 1.00 0.00 C ATOM 1467 CE LYS A 98 9.665 30.907 -4.630 1.00 0.00 C ATOM 1468 NZ LYS A 98 9.869 31.682 -5.885 1.00 0.00 N ATOM 0 H LYS A 98 7.759 28.098 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 98 8.272 27.408 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.638 29.828 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.381 29.240 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.118 29.984 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.917 30.949 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.014 32.246 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.063 32.079 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.604 30.856 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.385 29.883 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.735 31.354 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.054 31.542 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.961 32.693 -5.658 1.00 0.00 H new ATOM 1482 N ALA A 99 5.265 28.498 -2.236 1.00 0.00 N ATOM 1483 CA ALA A 99 3.957 28.739 -1.630 1.00 0.00 C ATOM 1484 C ALA A 99 3.264 27.449 -1.232 1.00 0.00 C ATOM 1485 O ALA A 99 2.482 27.416 -0.282 1.00 0.00 O ATOM 1486 CB ALA A 99 3.078 29.550 -2.568 1.00 0.00 C ATOM 0 H ALA A 99 5.261 28.466 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 99 4.123 29.310 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.108 29.720 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.554 30.508 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.941 29.004 -3.501 1.00 0.00 H new ATOM 1492 N GLN A 100 3.555 26.391 -1.959 1.00 0.00 N ATOM 1493 CA GLN A 100 2.957 25.092 -1.679 1.00 0.00 C ATOM 1494 C GLN A 100 3.771 24.337 -0.636 1.00 0.00 C ATOM 1495 O GLN A 100 3.228 23.542 0.131 1.00 0.00 O ATOM 1496 CB GLN A 100 2.830 24.263 -2.958 1.00 0.00 C ATOM 1497 CG GLN A 100 1.534 24.519 -3.710 1.00 0.00 C ATOM 1498 CD GLN A 100 1.588 24.052 -5.153 1.00 0.00 C ATOM 1499 OE1 GLN A 100 2.166 24.717 -6.012 1.00 0.00 O ATOM 1500 NE2 GLN A 100 0.978 22.903 -5.424 1.00 0.00 N ATOM 0 H GLN A 100 4.201 26.399 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 100 1.957 25.262 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.673 24.485 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.893 23.205 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.716 24.011 -3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.310 25.586 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.511 22.385 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.977 22.539 -6.377 1.00 0.00 H new ATOM 1509 N LEU A 101 5.071 24.601 -0.604 1.00 0.00 N ATOM 1510 CA LEU A 101 5.950 23.951 0.357 1.00 0.00 C ATOM 1511 C LEU A 101 5.615 24.408 1.769 1.00 0.00 C ATOM 1512 O LEU A 101 5.499 23.595 2.685 1.00 0.00 O ATOM 1513 CB LEU A 101 7.414 24.269 0.045 1.00 0.00 C ATOM 1514 CG LEU A 101 8.179 23.160 -0.680 1.00 0.00 C ATOM 1515 CD1 LEU A 101 9.614 23.589 -0.946 1.00 0.00 C ATOM 1516 CD2 LEU A 101 8.146 21.872 0.128 1.00 0.00 C ATOM 0 H LEU A 101 5.538 25.258 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 101 5.800 22.874 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.452 25.173 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.928 24.493 0.980 1.00 0.00 H new ATOM 0 HG LEU A 101 7.693 22.975 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.143 22.788 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.617 24.485 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.112 23.802 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.695 21.095 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.607 22.041 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.112 21.556 0.266 1.00 0.00 H new ATOM 1528 N THR A 102 5.453 25.715 1.933 1.00 0.00 N ATOM 1529 CA THR A 102 5.121 26.281 3.230 1.00 0.00 C ATOM 1530 C THR A 102 3.752 25.799 3.671 1.00 0.00 C ATOM 1531 O THR A 102 3.538 25.482 4.841 1.00 0.00 O ATOM 1532 CB THR A 102 5.146 27.806 3.178 1.00 0.00 C ATOM 1533 OG1 THR A 102 5.074 28.267 1.840 1.00 0.00 O ATOM 1534 CG2 THR A 102 6.387 28.394 3.803 1.00 0.00 C ATOM 0 H THR A 102 5.546 26.401 1.184 1.00 0.00 H new ATOM 0 HA THR A 102 5.868 25.949 3.952 1.00 0.00 H new ATOM 0 HB THR A 102 4.277 28.133 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.973 28.284 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.348 29.481 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.443 28.097 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.268 28.029 3.275 1.00 0.00 H new ATOM 1542 N GLU A 103 2.827 25.739 2.721 1.00 0.00 N ATOM 1543 CA GLU A 103 1.480 25.285 3.016 1.00 0.00 C ATOM 1544 C GLU A 103 1.443 23.773 3.223 1.00 0.00 C ATOM 1545 O GLU A 103 0.418 23.212 3.612 1.00 0.00 O ATOM 1546 CB GLU A 103 0.517 25.692 1.897 1.00 0.00 C ATOM 1547 CG GLU A 103 -0.819 26.208 2.404 1.00 0.00 C ATOM 1548 CD GLU A 103 -0.759 27.663 2.828 1.00 0.00 C ATOM 1549 OE1 GLU A 103 0.341 28.131 3.190 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -1.812 28.334 2.795 1.00 0.00 O ATOM 0 H GLU A 103 2.986 25.998 1.747 1.00 0.00 H new ATOM 0 HA GLU A 103 1.161 25.763 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.987 26.463 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.343 24.834 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.570 26.092 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.142 25.600 3.249 1.00 0.00 H new ATOM 1557 N ARG A 104 2.571 23.122 2.968 1.00 0.00 N ATOM 1558 CA ARG A 104 2.679 21.677 3.134 1.00 0.00 C ATOM 1559 C ARG A 104 3.502 21.329 4.375 1.00 0.00 C ATOM 1560 O ARG A 104 3.474 20.193 4.849 1.00 0.00 O ATOM 1561 CB ARG A 104 3.316 21.047 1.893 1.00 0.00 C ATOM 1562 CG ARG A 104 2.302 20.504 0.900 1.00 0.00 C ATOM 1563 CD ARG A 104 2.854 20.505 -0.516 1.00 0.00 C ATOM 1564 NE ARG A 104 1.816 20.226 -1.506 1.00 0.00 N ATOM 1565 CZ ARG A 104 1.367 19.005 -1.786 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.860 17.948 -1.151 1.00 0.00 N ATOM 1567 NH2 ARG A 104 0.421 18.839 -2.699 1.00 0.00 N ATOM 0 H ARG A 104 3.427 23.573 2.644 1.00 0.00 H new ATOM 0 HA ARG A 104 1.674 21.276 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.937 21.792 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.977 20.238 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.023 19.489 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.395 21.107 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.307 21.473 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.644 19.759 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 104 1.412 21.014 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.586 18.070 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.513 17.014 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.036 19.647 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.077 17.903 -2.913 1.00 0.00 H new ATOM 1581 N GLY A 105 4.229 22.314 4.899 1.00 0.00 N ATOM 1582 CA GLY A 105 5.041 22.089 6.081 1.00 0.00 C ATOM 1583 C GLY A 105 6.425 21.562 5.753 1.00 0.00 C ATOM 1584 O GLY A 105 6.770 20.439 6.117 1.00 0.00 O ATOM 0 H GLY A 105 4.269 23.262 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.135 23.023 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.533 21.380 6.735 1.00 0.00 H new ATOM 1588 N ILE A 106 7.222 22.374 5.062 1.00 0.00 N ATOM 1589 CA ILE A 106 8.575 21.979 4.690 1.00 0.00 C ATOM 1590 C ILE A 106 9.491 23.194 4.572 1.00 0.00 C ATOM 1591 O ILE A 106 9.471 23.900 3.563 1.00 0.00 O ATOM 1592 CB ILE A 106 8.588 21.214 3.354 1.00 0.00 C ATOM 1593 CG1 ILE A 106 7.508 20.129 3.347 1.00 0.00 C ATOM 1594 CG2 ILE A 106 9.960 20.606 3.106 1.00 0.00 C ATOM 1595 CD1 ILE A 106 7.477 19.315 2.072 1.00 0.00 C ATOM 0 H ILE A 106 6.953 23.307 4.750 1.00 0.00 H new ATOM 0 HA ILE A 106 8.941 21.325 5.481 1.00 0.00 H new ATOM 0 HB ILE A 106 8.372 21.917 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.671 19.460 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.534 20.596 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.954 20.068 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.708 21.398 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.203 19.915 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.688 18.566 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.283 19.973 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.438 18.819 1.934 1.00 0.00 H new ATOM 1607 N THR A 107 10.296 23.437 5.605 1.00 0.00 N ATOM 1608 CA THR A 107 11.217 24.570 5.608 1.00 0.00 C ATOM 1609 C THR A 107 12.159 24.510 4.408 1.00 0.00 C ATOM 1610 O THR A 107 12.881 23.531 4.221 1.00 0.00 O ATOM 1611 CB THR A 107 12.026 24.591 6.904 1.00 0.00 C ATOM 1612 OG1 THR A 107 12.271 23.274 7.364 1.00 0.00 O ATOM 1613 CG2 THR A 107 11.347 25.349 8.023 1.00 0.00 C ATOM 0 H THR A 107 10.328 22.865 6.449 1.00 0.00 H new ATOM 0 HA THR A 107 10.628 25.485 5.539 1.00 0.00 H new ATOM 0 HB THR A 107 12.956 25.102 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 107 12.792 23.309 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 107 11.976 25.324 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 107 11.190 26.384 7.719 1.00 0.00 H new ATOM 0 HG23 THR A 107 10.385 24.886 8.245 1.00 0.00 H new ATOM 1621 N PHE A 108 12.142 25.562 3.596 1.00 0.00 N ATOM 1622 CA PHE A 108 12.994 25.628 2.412 1.00 0.00 C ATOM 1623 C PHE A 108 13.755 26.952 2.341 1.00 0.00 C ATOM 1624 O PHE A 108 14.444 27.226 1.358 1.00 0.00 O ATOM 1625 CB PHE A 108 12.149 25.452 1.150 1.00 0.00 C ATOM 1626 CG PHE A 108 11.125 26.534 0.967 1.00 0.00 C ATOM 1627 CD1 PHE A 108 10.008 26.592 1.785 1.00 0.00 C ATOM 1628 CD2 PHE A 108 11.279 27.494 -0.020 1.00 0.00 C ATOM 1629 CE1 PHE A 108 9.065 27.588 1.623 1.00 0.00 C ATOM 1630 CE2 PHE A 108 10.338 28.492 -0.187 1.00 0.00 C ATOM 1631 CZ PHE A 108 9.230 28.540 0.637 1.00 0.00 C ATOM 0 H PHE A 108 11.549 26.380 3.735 1.00 0.00 H new ATOM 0 HA PHE A 108 13.724 24.821 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.806 25.432 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.645 24.487 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 108 9.873 25.850 2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.144 27.462 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.199 27.622 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.469 29.234 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.495 29.321 0.510 1.00 0.00 H new ATOM 1641 N LYS A 109 13.631 27.773 3.382 1.00 0.00 N ATOM 1642 CA LYS A 109 14.311 29.062 3.420 1.00 0.00 C ATOM 1643 C LYS A 109 15.589 28.979 4.248 1.00 0.00 C ATOM 1644 O LYS A 109 15.996 29.953 4.882 1.00 0.00 O ATOM 1645 CB LYS A 109 13.382 30.137 3.992 1.00 0.00 C ATOM 1646 CG LYS A 109 12.726 30.999 2.928 1.00 0.00 C ATOM 1647 CD LYS A 109 11.320 31.413 3.332 1.00 0.00 C ATOM 1648 CE LYS A 109 10.865 32.650 2.577 1.00 0.00 C ATOM 1649 NZ LYS A 109 9.384 32.695 2.425 1.00 0.00 N ATOM 0 H LYS A 109 13.067 27.568 4.207 1.00 0.00 H new ATOM 0 HA LYS A 109 14.580 29.333 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.606 29.656 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.951 30.777 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.332 31.888 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 109 12.688 30.451 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.629 30.593 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.291 31.609 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.203 33.542 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.332 32.666 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.114 33.554 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.063 31.857 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.939 32.706 3.365 1.00 0.00 H new ATOM 1663 N GLN A 110 16.219 27.809 4.238 1.00 0.00 N ATOM 1664 CA GLN A 110 17.452 27.600 4.987 1.00 0.00 C ATOM 1665 C GLN A 110 18.312 26.522 4.333 1.00 0.00 C ATOM 1666 O GLN A 110 19.113 25.865 4.999 1.00 0.00 O ATOM 1667 CB GLN A 110 17.137 27.208 6.431 1.00 0.00 C ATOM 1668 CG GLN A 110 18.223 27.602 7.419 1.00 0.00 C ATOM 1669 CD GLN A 110 17.809 28.755 8.313 1.00 0.00 C ATOM 1670 OE1 GLN A 110 18.547 29.729 8.470 1.00 0.00 O ATOM 1671 NE2 GLN A 110 16.625 28.651 8.904 1.00 0.00 N ATOM 0 H GLN A 110 15.896 26.992 3.720 1.00 0.00 H new ATOM 0 HA GLN A 110 18.010 28.536 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.199 27.676 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.985 26.130 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.476 26.741 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.124 27.877 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.047 27.826 8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.294 29.396 9.517 1.00 0.00 H new ATOM 1680 N SER A 111 18.142 26.344 3.024 1.00 0.00 N ATOM 1681 CA SER A 111 18.905 25.344 2.284 1.00 0.00 C ATOM 1682 C SER A 111 18.470 25.299 0.822 1.00 0.00 C ATOM 1683 O SER A 111 19.293 25.111 -0.074 1.00 0.00 O ATOM 1684 CB SER A 111 18.731 23.962 2.918 1.00 0.00 C ATOM 1685 OG SER A 111 17.364 23.673 3.147 1.00 0.00 O ATOM 0 H SER A 111 17.484 26.878 2.456 1.00 0.00 H new ATOM 0 HA SER A 111 19.957 25.626 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 111 19.162 23.203 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.277 23.920 3.860 1.00 0.00 H new ATOM 0 HG SER A 111 17.281 22.784 3.551 1.00 0.00 H new ATOM 1691 N ALA A 112 17.172 25.469 0.588 1.00 0.00 N ATOM 1692 CA ALA A 112 16.631 25.444 -0.765 1.00 0.00 C ATOM 1693 C ALA A 112 16.786 26.799 -1.449 1.00 0.00 C ATOM 1694 O ALA A 112 17.245 27.765 -0.839 1.00 0.00 O ATOM 1695 CB ALA A 112 15.168 25.026 -0.741 1.00 0.00 C ATOM 0 H ALA A 112 16.477 25.625 1.318 1.00 0.00 H new ATOM 0 HA ALA A 112 17.198 24.712 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.777 25.012 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.081 24.031 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.597 25.736 -0.143 1.00 0.00 H new ATOM 1701 N THR A 113 16.400 26.860 -2.720 1.00 0.00 N ATOM 1702 CA THR A 113 16.496 28.093 -3.491 1.00 0.00 C ATOM 1703 C THR A 113 15.412 28.149 -4.562 1.00 0.00 C ATOM 1704 O THR A 113 14.385 28.804 -4.383 1.00 0.00 O ATOM 1705 CB THR A 113 17.877 28.212 -4.134 1.00 0.00 C ATOM 1706 OG1 THR A 113 18.213 27.021 -4.825 1.00 0.00 O ATOM 1707 CG2 THR A 113 18.974 28.488 -3.134 1.00 0.00 C ATOM 0 H THR A 113 16.018 26.069 -3.237 1.00 0.00 H new ATOM 0 HA THR A 113 16.350 28.931 -2.810 1.00 0.00 H new ATOM 0 HB THR A 113 17.808 29.057 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 113 19.100 27.117 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 113 19.930 28.561 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.768 29.426 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 113 19.017 27.676 -2.408 1.00 0.00 H new ATOM 1715 N LYS A 114 15.642 27.457 -5.675 1.00 0.00 N ATOM 1716 CA LYS A 114 14.672 27.438 -6.762 1.00 0.00 C ATOM 1717 C LYS A 114 14.649 26.090 -7.463 1.00 0.00 C ATOM 1718 O LYS A 114 13.583 25.526 -7.708 1.00 0.00 O ATOM 1719 CB LYS A 114 14.963 28.553 -7.769 1.00 0.00 C ATOM 1720 CG LYS A 114 16.437 28.701 -8.112 1.00 0.00 C ATOM 1721 CD LYS A 114 16.847 30.163 -8.186 1.00 0.00 C ATOM 1722 CE LYS A 114 18.109 30.346 -9.014 1.00 0.00 C ATOM 1723 NZ LYS A 114 18.812 31.617 -8.683 1.00 0.00 N ATOM 0 H LYS A 114 16.484 26.907 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 114 13.688 27.608 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.404 28.358 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.596 29.498 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 114 17.040 28.190 -7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 114 16.640 28.216 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 114 16.037 30.748 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 114 17.012 30.547 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 114 18.781 29.505 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 114 17.852 30.339 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 19.667 31.704 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 18.181 32.422 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 19.080 31.614 -7.678 1.00 0.00 H new ATOM 1737 N ALA A 115 15.822 25.567 -7.773 1.00 0.00 N ATOM 1738 CA ALA A 115 15.913 24.276 -8.430 1.00 0.00 C ATOM 1739 C ALA A 115 15.737 23.155 -7.416 1.00 0.00 C ATOM 1740 O ALA A 115 15.322 22.048 -7.760 1.00 0.00 O ATOM 1741 CB ALA A 115 17.242 24.140 -9.157 1.00 0.00 C ATOM 0 H ALA A 115 16.719 26.013 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 115 15.113 24.203 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.293 23.166 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 115 17.328 24.926 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 115 18.059 24.231 -8.441 1.00 0.00 H new ATOM 1747 N GLU A 116 16.054 23.453 -6.160 1.00 0.00 N ATOM 1748 CA GLU A 116 15.930 22.475 -5.087 1.00 0.00 C ATOM 1749 C GLU A 116 14.520 22.463 -4.505 1.00 0.00 C ATOM 1750 O GLU A 116 14.003 21.409 -4.134 1.00 0.00 O ATOM 1751 CB GLU A 116 16.954 22.756 -3.987 1.00 0.00 C ATOM 1752 CG GLU A 116 18.158 21.827 -4.025 1.00 0.00 C ATOM 1753 CD GLU A 116 19.065 22.100 -5.208 1.00 0.00 C ATOM 1754 OE1 GLU A 116 18.603 21.950 -6.358 1.00 0.00 O ATOM 1755 OE2 GLU A 116 20.240 22.462 -4.984 1.00 0.00 O ATOM 0 H GLU A 116 16.399 24.365 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 116 16.127 21.490 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.298 23.787 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.466 22.666 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.727 21.937 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.814 20.793 -4.066 1.00 0.00 H new ATOM 1762 N LEU A 117 13.903 23.639 -4.416 1.00 0.00 N ATOM 1763 CA LEU A 117 12.556 23.740 -3.864 1.00 0.00 C ATOM 1764 C LEU A 117 11.512 23.342 -4.895 1.00 0.00 C ATOM 1765 O LEU A 117 10.384 22.992 -4.544 1.00 0.00 O ATOM 1766 CB LEU A 117 12.303 25.142 -3.268 1.00 0.00 C ATOM 1767 CG LEU A 117 11.564 26.177 -4.125 1.00 0.00 C ATOM 1768 CD1 LEU A 117 11.800 27.563 -3.548 1.00 0.00 C ATOM 1769 CD2 LEU A 117 12.016 26.132 -5.568 1.00 0.00 C ATOM 0 H LEU A 117 14.309 24.525 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 117 12.467 23.032 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.739 25.013 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.269 25.566 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 117 10.500 25.941 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.277 28.303 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.425 27.600 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.868 27.781 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.470 26.879 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.084 26.342 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.820 25.142 -5.980 1.00 0.00 H new ATOM 1781 N ILE A 118 11.893 23.365 -6.168 1.00 0.00 N ATOM 1782 CA ILE A 118 10.979 22.971 -7.224 1.00 0.00 C ATOM 1783 C ILE A 118 10.987 21.449 -7.392 1.00 0.00 C ATOM 1784 O ILE A 118 9.983 20.851 -7.777 1.00 0.00 O ATOM 1785 CB ILE A 118 11.314 23.651 -8.583 1.00 0.00 C ATOM 1786 CG1 ILE A 118 10.119 23.539 -9.539 1.00 0.00 C ATOM 1787 CG2 ILE A 118 12.572 23.076 -9.228 1.00 0.00 C ATOM 1788 CD1 ILE A 118 9.949 22.165 -10.155 1.00 0.00 C ATOM 0 H ILE A 118 12.819 23.650 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 118 9.985 23.305 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 118 11.515 24.703 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.209 23.799 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.236 24.272 -10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 118 12.761 23.585 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 118 13.422 23.221 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 118 12.433 22.011 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.084 22.168 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.842 21.909 -10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.799 21.428 -9.366 1.00 0.00 H new ATOM 1800 N ALA A 119 12.135 20.832 -7.097 1.00 0.00 N ATOM 1801 CA ALA A 119 12.286 19.387 -7.214 1.00 0.00 C ATOM 1802 C ALA A 119 11.870 18.657 -5.941 1.00 0.00 C ATOM 1803 O ALA A 119 11.399 17.521 -5.993 1.00 0.00 O ATOM 1804 CB ALA A 119 13.723 19.041 -7.570 1.00 0.00 C ATOM 0 H ALA A 119 12.973 21.316 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 119 11.621 19.053 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 119 13.826 17.959 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 119 13.985 19.507 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 119 14.390 19.409 -6.790 1.00 0.00 H new ATOM 1810 N LEU A 120 12.081 19.300 -4.795 1.00 0.00 N ATOM 1811 CA LEU A 120 11.762 18.683 -3.510 1.00 0.00 C ATOM 1812 C LEU A 120 10.259 18.604 -3.259 1.00 0.00 C ATOM 1813 O LEU A 120 9.825 17.849 -2.390 1.00 0.00 O ATOM 1814 CB LEU A 120 12.463 19.426 -2.365 1.00 0.00 C ATOM 1815 CG LEU A 120 11.790 20.719 -1.892 1.00 0.00 C ATOM 1816 CD1 LEU A 120 10.599 20.411 -0.994 1.00 0.00 C ATOM 1817 CD2 LEU A 120 12.794 21.595 -1.159 1.00 0.00 C ATOM 0 H LEU A 120 12.469 20.241 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 120 12.133 17.659 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.543 18.749 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 120 13.479 19.663 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 120 11.426 21.258 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.137 21.343 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.871 19.818 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.936 19.851 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.304 22.511 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.182 21.058 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 120 13.616 21.845 -1.829 1.00 0.00 H new ATOM 1829 N PHE A 121 9.472 19.382 -4.010 1.00 0.00 N ATOM 1830 CA PHE A 121 8.013 19.396 -3.861 1.00 0.00 C ATOM 1831 C PHE A 121 7.479 18.140 -3.173 1.00 0.00 C ATOM 1832 O PHE A 121 7.180 17.140 -3.827 1.00 0.00 O ATOM 1833 CB PHE A 121 7.349 19.550 -5.226 1.00 0.00 C ATOM 1834 CG PHE A 121 6.443 20.737 -5.308 1.00 0.00 C ATOM 1835 CD1 PHE A 121 5.277 20.792 -4.560 1.00 0.00 C ATOM 1836 CD2 PHE A 121 6.762 21.802 -6.126 1.00 0.00 C ATOM 1837 CE1 PHE A 121 4.445 21.891 -4.633 1.00 0.00 C ATOM 1838 CE2 PHE A 121 5.937 22.901 -6.203 1.00 0.00 C ATOM 1839 CZ PHE A 121 4.775 22.948 -5.458 1.00 0.00 C ATOM 0 H PHE A 121 9.823 20.013 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 121 7.768 20.247 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 121 8.121 19.636 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 121 6.778 18.649 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 121 5.017 19.967 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.669 21.773 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.539 21.924 -4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.199 23.728 -6.847 1.00 0.00 H new ATOM 0 HZ PHE A 121 4.126 23.809 -5.521 1.00 0.00 H new