USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 127:sc= 1.73 USER MOD Set 1.2: A 9 THR OG1 : rot 170:sc= 0.721 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.19) USER MOD Set 2.2: B 686 GLN : amide:sc= 1.08 K(o=2.3,f=0.9) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0526 (180deg=-0.0845) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.719 (180deg=0.69) USER MOD Single : A 2 GLN : amide:sc= -0.0919 X(o=-0.092,f=0.015) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 25 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 2.17 (180deg=1.84) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.899 (180deg=0.899) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.11 K(o=1.1,f=-6.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.114 USER MOD Single : A 60 ASN : amide:sc= 0.097 X(o=0.097,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -109:sc= 0.677 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0632 X(o=-0.063,f=-0.35) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.00257 USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.21) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -93:sc= 0.614 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.353 1.492 0.364 1.00 0.00 N ATOM 2 CA MET A 1 2.135 1.386 -0.912 1.00 0.00 C ATOM 3 C MET A 1 1.898 2.605 -1.808 1.00 0.00 C ATOM 4 O MET A 1 0.927 3.315 -1.593 1.00 0.00 O ATOM 5 CB MET A 1 1.848 0.085 -1.705 1.00 0.00 C ATOM 6 CG MET A 1 0.475 -0.103 -2.380 1.00 0.00 C ATOM 7 SD MET A 1 0.319 -1.741 -3.145 1.00 0.00 S ATOM 8 CE MET A 1 -0.841 -1.468 -4.515 1.00 0.00 C ATOM 0 H1 MET A 1 1.438 0.604 0.898 1.00 0.00 H new ATOM 0 H2 MET A 1 1.726 2.276 0.936 1.00 0.00 H new ATOM 0 H3 MET A 1 0.352 1.670 0.144 1.00 0.00 H new ATOM 0 HA MET A 1 3.183 1.352 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.608 0.001 -2.481 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.995 -0.753 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.315 0.030 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.334 0.667 -3.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.101 -2.425 -4.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.744 -0.989 -4.137 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.376 -0.827 -5.263 1.00 0.00 H new ATOM 20 N GLN A 2 2.670 2.801 -2.884 1.00 0.00 N ATOM 21 CA GLN A 2 2.404 3.862 -3.868 1.00 0.00 C ATOM 22 C GLN A 2 2.350 3.288 -5.264 1.00 0.00 C ATOM 23 O GLN A 2 2.984 2.261 -5.508 1.00 0.00 O ATOM 24 CB GLN A 2 3.428 5.019 -3.753 1.00 0.00 C ATOM 25 CG GLN A 2 4.726 4.930 -4.578 1.00 0.00 C ATOM 26 CD GLN A 2 5.714 3.984 -3.924 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.609 4.367 -3.176 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.504 2.707 -4.176 1.00 0.00 N ATOM 0 H GLN A 2 3.491 2.234 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 2 1.427 4.292 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.920 5.942 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.707 5.113 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.498 4.585 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.171 5.920 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.750 2.428 -4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.096 1.998 -3.743 1.00 0.00 H new ATOM 37 N ILE A 3 1.703 3.999 -6.178 1.00 0.00 N ATOM 38 CA ILE A 3 1.655 3.649 -7.594 1.00 0.00 C ATOM 39 C ILE A 3 1.781 4.926 -8.403 1.00 0.00 C ATOM 40 O ILE A 3 1.483 6.007 -7.910 1.00 0.00 O ATOM 41 CB ILE A 3 0.358 2.883 -7.909 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.873 3.695 -7.452 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.427 1.491 -7.258 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.148 3.319 -8.196 1.00 0.00 C ATOM 0 H ILE A 3 1.187 4.850 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 3 2.480 2.987 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 3 0.253 2.745 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.025 3.543 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.675 4.757 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.489 0.941 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.282 0.945 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.537 1.599 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.976 3.925 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.013 3.498 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.369 2.265 -8.030 1.00 0.00 H new ATOM 56 N PHE A 4 2.210 4.774 -9.644 1.00 0.00 N ATOM 57 CA PHE A 4 2.604 5.826 -10.557 1.00 0.00 C ATOM 58 C PHE A 4 1.579 5.887 -11.674 1.00 0.00 C ATOM 59 O PHE A 4 1.609 5.117 -12.623 1.00 0.00 O ATOM 60 CB PHE A 4 4.014 5.532 -11.092 1.00 0.00 C ATOM 61 CG PHE A 4 4.993 4.918 -10.116 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.275 5.586 -8.920 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.641 3.706 -10.401 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.166 5.042 -7.988 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.590 3.199 -9.497 1.00 0.00 C ATOM 66 CZ PHE A 4 6.853 3.858 -8.290 1.00 0.00 C ATOM 0 H PHE A 4 2.297 3.849 -10.066 1.00 0.00 H new ATOM 0 HA PHE A 4 2.637 6.794 -10.057 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.921 4.864 -11.948 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.440 6.465 -11.461 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.799 6.533 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.412 3.167 -11.308 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.324 5.533 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.123 2.290 -9.736 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.579 3.458 -7.598 1.00 0.00 H new ATOM 76 N VAL A 5 0.617 6.784 -11.578 1.00 0.00 N ATOM 77 CA VAL A 5 -0.385 6.915 -12.631 1.00 0.00 C ATOM 78 C VAL A 5 0.211 7.865 -13.654 1.00 0.00 C ATOM 79 O VAL A 5 0.304 9.066 -13.419 1.00 0.00 O ATOM 80 CB VAL A 5 -1.739 7.360 -12.068 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.802 7.440 -13.178 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.207 6.386 -10.980 1.00 0.00 C ATOM 0 H VAL A 5 0.504 7.428 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.611 5.962 -13.110 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.611 8.353 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.752 7.758 -12.749 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.486 8.159 -13.933 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.922 6.459 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.170 6.713 -10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.309 5.387 -11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.475 6.364 -10.172 1.00 0.00 H new ATOM 92 N LYS A 6 0.677 7.335 -14.777 1.00 0.00 N ATOM 93 CA LYS A 6 1.145 8.170 -15.865 1.00 0.00 C ATOM 94 C LYS A 6 -0.097 8.775 -16.489 1.00 0.00 C ATOM 95 O LYS A 6 -0.990 8.033 -16.901 1.00 0.00 O ATOM 96 CB LYS A 6 1.969 7.313 -16.836 1.00 0.00 C ATOM 97 CG LYS A 6 2.742 8.234 -17.792 1.00 0.00 C ATOM 98 CD LYS A 6 3.647 7.512 -18.800 1.00 0.00 C ATOM 99 CE LYS A 6 4.571 8.504 -19.537 1.00 0.00 C ATOM 100 NZ LYS A 6 5.590 7.808 -20.369 1.00 0.00 N ATOM 0 H LYS A 6 0.739 6.332 -14.954 1.00 0.00 H new ATOM 0 HA LYS A 6 1.807 8.974 -15.544 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.662 6.680 -16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.313 6.650 -17.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.026 8.845 -18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.354 8.915 -17.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.250 6.767 -18.281 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.033 6.977 -19.525 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.970 9.156 -20.171 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.072 9.141 -18.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.261 8.505 -20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.103 7.118 -19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.119 7.315 -21.154 1.00 0.00 H new ATOM 114 N THR A 7 -0.204 10.098 -16.544 1.00 0.00 N ATOM 115 CA THR A 7 -1.271 10.669 -17.337 1.00 0.00 C ATOM 116 C THR A 7 -0.982 10.381 -18.784 1.00 0.00 C ATOM 117 O THR A 7 0.145 10.107 -19.166 1.00 0.00 O ATOM 118 CB THR A 7 -1.464 12.163 -17.097 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.239 12.815 -17.298 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.956 12.377 -15.680 1.00 0.00 C ATOM 0 H THR A 7 0.407 10.764 -16.071 1.00 0.00 H new ATOM 0 HA THR A 7 -2.212 10.208 -17.036 1.00 0.00 H new ATOM 0 HB THR A 7 -2.201 12.570 -17.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.358 13.542 -17.944 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.096 13.443 -15.501 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.904 11.858 -15.542 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.222 11.984 -14.977 1.00 0.00 H new ATOM 128 N LEU A 8 -1.998 10.512 -19.611 1.00 0.00 N ATOM 129 CA LEU A 8 -1.818 10.490 -21.050 1.00 0.00 C ATOM 130 C LEU A 8 -0.930 11.671 -21.486 1.00 0.00 C ATOM 131 O LEU A 8 -0.439 11.600 -22.603 1.00 0.00 O ATOM 132 CB LEU A 8 -3.207 10.517 -21.695 1.00 0.00 C ATOM 133 CG LEU A 8 -3.851 9.246 -22.266 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.299 9.495 -22.710 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.175 8.758 -23.540 1.00 0.00 C ATOM 0 H LEU A 8 -2.965 10.636 -19.310 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.304 9.586 -21.376 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.895 10.913 -20.948 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.165 11.243 -22.507 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.765 8.524 -21.454 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.721 8.572 -23.108 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.890 9.825 -21.856 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.316 10.265 -23.482 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.675 7.857 -23.895 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.237 9.533 -24.304 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.128 8.535 -23.334 1.00 0.00 H new ATOM 147 N THR A 9 -0.681 12.744 -20.705 1.00 0.00 N ATOM 148 CA THR A 9 0.351 13.728 -21.075 1.00 0.00 C ATOM 149 C THR A 9 1.713 13.098 -20.876 1.00 0.00 C ATOM 150 O THR A 9 2.654 13.333 -21.630 1.00 0.00 O ATOM 151 CB THR A 9 0.338 15.003 -20.217 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.553 14.893 -19.132 1.00 0.00 O ATOM 153 CG2 THR A 9 -0.004 16.209 -21.070 1.00 0.00 C ATOM 0 H THR A 9 -1.170 12.946 -19.833 1.00 0.00 H new ATOM 0 HA THR A 9 0.142 14.007 -22.108 1.00 0.00 H new ATOM 0 HB THR A 9 1.338 15.135 -19.805 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.420 15.648 -18.521 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.009 17.104 -20.449 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.740 16.319 -21.859 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.989 16.071 -21.517 1.00 0.00 H new ATOM 161 N GLY A 10 1.794 12.311 -19.812 1.00 0.00 N ATOM 162 CA GLY A 10 2.996 11.695 -19.340 1.00 0.00 C ATOM 163 C GLY A 10 3.481 12.348 -18.061 1.00 0.00 C ATOM 164 O GLY A 10 4.662 12.252 -17.740 1.00 0.00 O ATOM 0 H GLY A 10 0.981 12.084 -19.240 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.819 10.634 -19.165 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.769 11.768 -20.105 1.00 0.00 H new ATOM 168 N LYS A 11 2.578 13.009 -17.328 1.00 0.00 N ATOM 169 CA LYS A 11 2.888 13.486 -15.992 1.00 0.00 C ATOM 170 C LYS A 11 2.558 12.325 -15.101 1.00 0.00 C ATOM 171 O LYS A 11 1.388 11.980 -14.941 1.00 0.00 O ATOM 172 CB LYS A 11 2.075 14.739 -15.659 1.00 0.00 C ATOM 173 CG LYS A 11 2.351 15.218 -14.217 1.00 0.00 C ATOM 174 CD LYS A 11 1.428 14.696 -13.103 1.00 0.00 C ATOM 175 CE LYS A 11 -0.073 14.724 -13.412 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.651 16.088 -13.554 1.00 0.00 N ATOM 0 H LYS A 11 1.632 13.221 -17.644 1.00 0.00 H new ATOM 0 HA LYS A 11 3.928 13.792 -15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.323 15.534 -16.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.012 14.528 -15.778 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.374 14.942 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.303 16.307 -14.210 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.713 13.670 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.606 15.286 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.251 14.170 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.604 14.200 -12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.683 16.018 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.427 16.650 -12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.247 16.551 -14.393 1.00 0.00 H new ATOM 190 N THR A 12 3.566 11.685 -14.558 1.00 0.00 N ATOM 191 CA THR A 12 3.348 10.580 -13.661 1.00 0.00 C ATOM 192 C THR A 12 2.997 11.159 -12.297 1.00 0.00 C ATOM 193 O THR A 12 3.824 11.800 -11.643 1.00 0.00 O ATOM 194 CB THR A 12 4.579 9.679 -13.692 1.00 0.00 C ATOM 195 OG1 THR A 12 5.090 9.584 -15.014 1.00 0.00 O ATOM 196 CG2 THR A 12 4.165 8.277 -13.263 1.00 0.00 C ATOM 0 H THR A 12 4.546 11.912 -14.723 1.00 0.00 H new ATOM 0 HA THR A 12 2.514 9.941 -13.950 1.00 0.00 H new ATOM 0 HB THR A 12 5.337 10.097 -13.029 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.880 9.004 -15.018 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.034 7.620 -13.280 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.756 8.311 -12.253 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.408 7.895 -13.948 1.00 0.00 H new ATOM 204 N ILE A 13 1.736 10.974 -11.906 1.00 0.00 N ATOM 205 CA ILE A 13 1.246 11.338 -10.592 1.00 0.00 C ATOM 206 C ILE A 13 1.393 10.081 -9.766 1.00 0.00 C ATOM 207 O ILE A 13 0.734 9.077 -10.026 1.00 0.00 O ATOM 208 CB ILE A 13 -0.191 11.921 -10.634 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.006 11.741 -9.318 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.053 11.550 -11.853 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.258 10.841 -9.382 1.00 0.00 C ATOM 0 H ILE A 13 1.023 10.561 -12.507 1.00 0.00 H new ATOM 0 HA ILE A 13 1.813 12.155 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 13 0.036 12.981 -10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.337 11.336 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.316 12.728 -8.975 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.033 12.019 -11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.566 11.900 -12.763 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.172 10.467 -11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.729 10.803 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.962 11.249 -10.107 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.968 9.835 -9.684 1.00 0.00 H new ATOM 223 N THR A 14 2.271 10.128 -8.781 1.00 0.00 N ATOM 224 CA THR A 14 2.419 9.038 -7.842 1.00 0.00 C ATOM 225 C THR A 14 1.375 9.270 -6.751 1.00 0.00 C ATOM 226 O THR A 14 1.116 10.412 -6.362 1.00 0.00 O ATOM 227 CB THR A 14 3.863 9.008 -7.333 1.00 0.00 C ATOM 228 OG1 THR A 14 4.737 8.989 -8.453 1.00 0.00 O ATOM 229 CG2 THR A 14 4.147 7.772 -6.460 1.00 0.00 C ATOM 0 H THR A 14 2.895 10.917 -8.612 1.00 0.00 H new ATOM 0 HA THR A 14 2.245 8.056 -8.282 1.00 0.00 H new ATOM 0 HB THR A 14 4.022 9.893 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.666 8.971 -8.142 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.183 7.795 -6.123 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.484 7.777 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.975 6.867 -7.043 1.00 0.00 H new ATOM 237 N LEU A 15 0.764 8.191 -6.261 1.00 0.00 N ATOM 238 CA LEU A 15 -0.224 8.254 -5.204 1.00 0.00 C ATOM 239 C LEU A 15 -0.056 7.068 -4.298 1.00 0.00 C ATOM 240 O LEU A 15 0.418 6.037 -4.752 1.00 0.00 O ATOM 241 CB LEU A 15 -1.643 8.330 -5.783 1.00 0.00 C ATOM 242 CG LEU A 15 -2.207 7.090 -6.484 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.692 6.944 -6.174 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.060 7.209 -7.976 1.00 0.00 C ATOM 0 H LEU A 15 0.948 7.245 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.073 9.162 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.321 8.590 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.668 9.155 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.652 6.224 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.083 6.060 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.831 6.841 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.226 7.827 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.467 6.318 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.602 8.088 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.005 7.308 -8.231 1.00 0.00 H new ATOM 256 N GLU A 16 -0.496 7.184 -3.053 1.00 0.00 N ATOM 257 CA GLU A 16 -0.370 6.120 -2.073 1.00 0.00 C ATOM 258 C GLU A 16 -1.741 5.499 -1.859 1.00 0.00 C ATOM 259 O GLU A 16 -2.764 6.169 -1.700 1.00 0.00 O ATOM 260 CB GLU A 16 0.362 6.579 -0.805 1.00 0.00 C ATOM 261 CG GLU A 16 1.887 6.482 -1.015 1.00 0.00 C ATOM 262 CD GLU A 16 2.650 6.938 0.238 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.944 6.090 1.114 1.00 0.00 O ATOM 264 OE2 GLU A 16 2.980 8.144 0.348 1.00 0.00 O ATOM 0 H GLU A 16 -0.952 8.023 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 16 0.280 5.328 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.084 7.605 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.063 5.961 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.159 5.454 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.179 7.097 -1.866 1.00 0.00 H new ATOM 271 N VAL A 17 -1.715 4.177 -1.944 1.00 0.00 N ATOM 272 CA VAL A 17 -2.824 3.245 -2.012 1.00 0.00 C ATOM 273 C VAL A 17 -2.446 1.991 -1.220 1.00 0.00 C ATOM 274 O VAL A 17 -1.454 1.944 -0.493 1.00 0.00 O ATOM 275 CB VAL A 17 -3.124 2.939 -3.506 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.493 4.186 -4.313 1.00 0.00 C ATOM 277 CG2 VAL A 17 -1.930 2.263 -4.205 1.00 0.00 C ATOM 0 H VAL A 17 -0.823 3.683 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.731 3.659 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.980 2.265 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.691 3.905 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.384 4.646 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.667 4.897 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.182 2.067 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.062 2.920 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.700 1.323 -3.704 1.00 0.00 H new ATOM 287 N GLU A 18 -3.223 0.946 -1.423 1.00 0.00 N ATOM 288 CA GLU A 18 -3.172 -0.343 -0.769 1.00 0.00 C ATOM 289 C GLU A 18 -3.495 -1.340 -1.891 1.00 0.00 C ATOM 290 O GLU A 18 -4.217 -0.960 -2.812 1.00 0.00 O ATOM 291 CB GLU A 18 -4.268 -0.265 0.303 1.00 0.00 C ATOM 292 CG GLU A 18 -4.464 -1.492 1.180 1.00 0.00 C ATOM 293 CD GLU A 18 -3.390 -1.638 2.277 1.00 0.00 C ATOM 294 OE1 GLU A 18 -2.185 -1.739 1.949 1.00 0.00 O ATOM 295 OE2 GLU A 18 -3.751 -1.673 3.477 1.00 0.00 O ATOM 0 H GLU A 18 -3.974 0.983 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.233 -0.629 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.048 0.583 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.214 -0.049 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.447 -1.441 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.455 -2.383 0.552 1.00 0.00 H new ATOM 302 N PRO A 19 -3.034 -2.599 -1.900 1.00 0.00 N ATOM 303 CA PRO A 19 -3.469 -3.543 -2.931 1.00 0.00 C ATOM 304 C PRO A 19 -5.001 -3.721 -2.967 1.00 0.00 C ATOM 305 O PRO A 19 -5.579 -4.002 -4.013 1.00 0.00 O ATOM 306 CB PRO A 19 -2.740 -4.853 -2.628 1.00 0.00 C ATOM 307 CG PRO A 19 -1.593 -4.470 -1.693 1.00 0.00 C ATOM 308 CD PRO A 19 -2.103 -3.221 -0.976 1.00 0.00 C ATOM 0 HA PRO A 19 -3.221 -3.173 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.407 -5.574 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.365 -5.315 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.368 -5.271 -0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.677 -4.266 -2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.594 -3.480 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.283 -2.546 -0.731 1.00 0.00 H new ATOM 316 N SER A 20 -5.687 -3.455 -1.856 1.00 0.00 N ATOM 317 CA SER A 20 -7.125 -3.615 -1.706 1.00 0.00 C ATOM 318 C SER A 20 -7.836 -2.284 -1.927 1.00 0.00 C ATOM 319 O SER A 20 -9.032 -2.177 -1.651 1.00 0.00 O ATOM 320 CB SER A 20 -7.414 -4.207 -0.317 1.00 0.00 C ATOM 321 OG SER A 20 -6.631 -5.372 -0.090 1.00 0.00 O ATOM 0 H SER A 20 -5.237 -3.110 -1.008 1.00 0.00 H new ATOM 0 HA SER A 20 -7.509 -4.302 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.199 -3.464 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.473 -4.454 -0.235 1.00 0.00 H new ATOM 0 HG SER A 20 -6.829 -5.731 0.800 1.00 0.00 H new ATOM 327 N ASP A 21 -7.128 -1.258 -2.414 1.00 0.00 N ATOM 328 CA ASP A 21 -7.760 -0.014 -2.770 1.00 0.00 C ATOM 329 C ASP A 21 -8.616 -0.285 -3.994 1.00 0.00 C ATOM 330 O ASP A 21 -8.120 -0.842 -4.980 1.00 0.00 O ATOM 331 CB ASP A 21 -6.732 1.085 -3.083 1.00 0.00 C ATOM 332 CG ASP A 21 -6.538 2.118 -1.967 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.779 1.832 -0.774 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.216 3.268 -2.336 1.00 0.00 O ATOM 0 H ASP A 21 -6.119 -1.279 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.357 0.346 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.772 0.615 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.041 1.604 -3.990 1.00 0.00 H new ATOM 339 N THR A 22 -9.891 0.097 -3.945 1.00 0.00 N ATOM 340 CA THR A 22 -10.750 -0.007 -5.108 1.00 0.00 C ATOM 341 C THR A 22 -10.391 1.062 -6.115 1.00 0.00 C ATOM 342 O THR A 22 -9.981 2.170 -5.750 1.00 0.00 O ATOM 343 CB THR A 22 -12.245 0.082 -4.772 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.446 1.089 -3.795 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.773 -1.252 -4.266 1.00 0.00 C ATOM 0 H THR A 22 -10.344 0.478 -3.114 1.00 0.00 H new ATOM 0 HA THR A 22 -10.579 -0.998 -5.529 1.00 0.00 H new ATOM 0 HB THR A 22 -12.793 0.336 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.400 1.150 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.834 -1.159 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.633 -2.013 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.230 -1.540 -3.366 1.00 0.00 H new ATOM 353 N ILE A 23 -10.630 0.743 -7.380 1.00 0.00 N ATOM 354 CA ILE A 23 -10.551 1.687 -8.480 1.00 0.00 C ATOM 355 C ILE A 23 -11.408 2.918 -8.219 1.00 0.00 C ATOM 356 O ILE A 23 -10.924 4.006 -8.492 1.00 0.00 O ATOM 357 CB ILE A 23 -10.937 0.982 -9.788 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.088 -0.265 -10.065 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.877 1.919 -11.006 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.607 -0.201 -9.698 1.00 0.00 C ATOM 0 H ILE A 23 -10.889 -0.199 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.525 2.043 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.971 0.669 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.533 -1.102 -9.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.162 -0.494 -11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.159 1.368 -11.903 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.566 2.751 -10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.863 2.303 -11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.129 -1.148 -9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.129 0.604 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.505 -0.013 -8.629 1.00 0.00 H new ATOM 372 N GLU A 24 -12.618 2.798 -7.669 1.00 0.00 N ATOM 373 CA GLU A 24 -13.450 3.966 -7.352 1.00 0.00 C ATOM 374 C GLU A 24 -12.668 4.949 -6.476 1.00 0.00 C ATOM 375 O GLU A 24 -12.576 6.141 -6.772 1.00 0.00 O ATOM 376 CB GLU A 24 -14.733 3.490 -6.645 1.00 0.00 C ATOM 377 CG GLU A 24 -15.692 4.637 -6.304 1.00 0.00 C ATOM 378 CD GLU A 24 -16.975 4.115 -5.637 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.979 3.922 -4.397 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.993 3.908 -6.341 1.00 0.00 O ATOM 0 H GLU A 24 -13.046 1.903 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.725 4.486 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.247 2.772 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.463 2.966 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.195 5.343 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.948 5.182 -7.213 1.00 0.00 H new ATOM 387 N ASN A 25 -12.028 4.427 -5.431 1.00 0.00 N ATOM 388 CA ASN A 25 -11.267 5.232 -4.483 1.00 0.00 C ATOM 389 C ASN A 25 -9.966 5.750 -5.105 1.00 0.00 C ATOM 390 O ASN A 25 -9.589 6.894 -4.877 1.00 0.00 O ATOM 391 CB ASN A 25 -11.060 4.418 -3.189 1.00 0.00 C ATOM 392 CG ASN A 25 -9.611 4.367 -2.749 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.142 5.191 -1.973 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.877 3.404 -3.274 1.00 0.00 N ATOM 0 H ASN A 25 -12.024 3.429 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.826 6.130 -4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.661 4.854 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.424 3.402 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.888 3.330 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.299 2.734 -3.917 1.00 0.00 H new ATOM 401 N VAL A 26 -9.303 4.957 -5.950 1.00 0.00 N ATOM 402 CA VAL A 26 -8.097 5.377 -6.665 1.00 0.00 C ATOM 403 C VAL A 26 -8.459 6.543 -7.574 1.00 0.00 C ATOM 404 O VAL A 26 -7.837 7.597 -7.498 1.00 0.00 O ATOM 405 CB VAL A 26 -7.557 4.164 -7.437 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.530 4.533 -8.513 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.943 3.135 -6.487 1.00 0.00 C ATOM 0 H VAL A 26 -9.590 4.001 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.313 5.720 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.421 3.735 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.191 3.628 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.989 5.204 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.678 5.029 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.569 2.287 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.120 3.592 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.702 2.791 -5.784 1.00 0.00 H new ATOM 417 N LYS A 27 -9.501 6.415 -8.392 1.00 0.00 N ATOM 418 CA LYS A 27 -9.984 7.507 -9.224 1.00 0.00 C ATOM 419 C LYS A 27 -10.311 8.751 -8.409 1.00 0.00 C ATOM 420 O LYS A 27 -10.056 9.850 -8.889 1.00 0.00 O ATOM 421 CB LYS A 27 -11.234 7.048 -9.979 1.00 0.00 C ATOM 422 CG LYS A 27 -11.051 5.966 -11.050 1.00 0.00 C ATOM 423 CD LYS A 27 -12.462 5.537 -11.487 1.00 0.00 C ATOM 424 CE LYS A 27 -12.482 5.003 -12.923 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.844 5.133 -13.534 1.00 0.00 N ATOM 0 H LYS A 27 -10.032 5.550 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.189 7.772 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.954 6.680 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.681 7.921 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.483 6.351 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.494 5.118 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.833 4.768 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.140 6.387 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.757 5.549 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.177 3.956 -12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.756 5.194 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.417 4.302 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.305 5.993 -13.174 1.00 0.00 H new ATOM 439 N ALA A 28 -10.833 8.623 -7.189 1.00 0.00 N ATOM 440 CA ALA A 28 -11.068 9.789 -6.334 1.00 0.00 C ATOM 441 C ALA A 28 -9.745 10.463 -5.963 1.00 0.00 C ATOM 442 O ALA A 28 -9.662 11.689 -5.980 1.00 0.00 O ATOM 443 CB ALA A 28 -11.851 9.391 -5.082 1.00 0.00 C ATOM 0 H ALA A 28 -11.100 7.731 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.667 10.509 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.015 10.271 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.812 8.968 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.284 8.650 -4.519 1.00 0.00 H new ATOM 449 N LYS A 29 -8.679 9.694 -5.708 1.00 0.00 N ATOM 450 CA LYS A 29 -7.346 10.270 -5.476 1.00 0.00 C ATOM 451 C LYS A 29 -6.856 10.955 -6.753 1.00 0.00 C ATOM 452 O LYS A 29 -6.248 12.015 -6.708 1.00 0.00 O ATOM 453 CB LYS A 29 -6.362 9.190 -5.015 1.00 0.00 C ATOM 454 CG LYS A 29 -6.754 8.630 -3.640 1.00 0.00 C ATOM 455 CD LYS A 29 -5.877 7.430 -3.257 1.00 0.00 C ATOM 456 CE LYS A 29 -6.267 6.899 -1.865 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.294 7.294 -0.804 1.00 0.00 N ATOM 0 H LYS A 29 -8.712 8.676 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.410 11.014 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.337 8.382 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.356 9.608 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.656 9.411 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.801 8.329 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.989 6.639 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.827 7.724 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.256 7.273 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.337 5.812 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.613 6.925 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.357 6.901 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.232 8.331 -0.758 1.00 0.00 H new ATOM 471 N ILE A 30 -7.163 10.387 -7.920 1.00 0.00 N ATOM 472 CA ILE A 30 -6.754 10.980 -9.196 1.00 0.00 C ATOM 473 C ILE A 30 -7.479 12.296 -9.365 1.00 0.00 C ATOM 474 O ILE A 30 -6.862 13.255 -9.759 1.00 0.00 O ATOM 475 CB ILE A 30 -7.027 10.055 -10.401 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.410 8.643 -10.332 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.562 10.741 -11.705 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.263 8.461 -9.340 1.00 0.00 C ATOM 0 H ILE A 30 -7.692 9.519 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.675 11.134 -9.171 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.105 9.898 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.199 7.935 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.050 8.376 -11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.757 10.083 -12.552 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.106 11.676 -11.839 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.494 10.949 -11.646 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.909 7.431 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.447 9.135 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.614 8.687 -8.333 1.00 0.00 H new ATOM 490 N GLN A 31 -8.763 12.380 -9.057 1.00 0.00 N ATOM 491 CA GLN A 31 -9.528 13.614 -9.088 1.00 0.00 C ATOM 492 C GLN A 31 -8.902 14.637 -8.150 1.00 0.00 C ATOM 493 O GLN A 31 -8.867 15.816 -8.488 1.00 0.00 O ATOM 494 CB GLN A 31 -10.987 13.349 -8.704 1.00 0.00 C ATOM 495 CG GLN A 31 -11.883 14.578 -8.961 1.00 0.00 C ATOM 496 CD GLN A 31 -12.520 15.077 -7.671 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.889 15.724 -6.840 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.785 14.744 -7.471 1.00 0.00 N ATOM 0 H GLN A 31 -9.315 11.571 -8.772 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.511 14.014 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.364 12.500 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.041 13.075 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.290 15.376 -9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.662 14.319 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.288 14.206 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.257 15.025 -6.612 1.00 0.00 H new ATOM 507 N ASP A 32 -8.358 14.197 -7.017 1.00 0.00 N ATOM 508 CA ASP A 32 -7.695 15.104 -6.104 1.00 0.00 C ATOM 509 C ASP A 32 -6.412 15.659 -6.737 1.00 0.00 C ATOM 510 O ASP A 32 -6.038 16.801 -6.448 1.00 0.00 O ATOM 511 CB ASP A 32 -7.403 14.421 -4.764 1.00 0.00 C ATOM 512 CG ASP A 32 -6.745 15.400 -3.778 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.445 16.313 -3.276 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.537 15.249 -3.472 1.00 0.00 O ATOM 0 H ASP A 32 -8.367 13.222 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.365 15.941 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.330 14.038 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.748 13.565 -4.923 1.00 0.00 H new ATOM 519 N LYS A 33 -5.756 14.900 -7.635 1.00 0.00 N ATOM 520 CA LYS A 33 -4.488 15.318 -8.229 1.00 0.00 C ATOM 521 C LYS A 33 -4.649 16.028 -9.578 1.00 0.00 C ATOM 522 O LYS A 33 -3.927 16.980 -9.884 1.00 0.00 O ATOM 523 CB LYS A 33 -3.637 14.063 -8.400 1.00 0.00 C ATOM 524 CG LYS A 33 -3.282 13.399 -7.052 1.00 0.00 C ATOM 525 CD LYS A 33 -2.035 14.022 -6.400 1.00 0.00 C ATOM 526 CE LYS A 33 -1.507 13.092 -5.299 1.00 0.00 C ATOM 527 NZ LYS A 33 -0.389 13.703 -4.530 1.00 0.00 N ATOM 0 H LYS A 33 -6.091 13.993 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.019 16.047 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.173 13.347 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.718 14.320 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.128 13.491 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.113 12.334 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.263 14.186 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.282 14.997 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.320 12.842 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.169 12.158 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.066 13.038 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.399 13.918 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.717 14.581 -4.079 1.00 0.00 H new ATOM 541 N GLU A 34 -5.631 15.587 -10.358 1.00 0.00 N ATOM 542 CA GLU A 34 -5.841 15.928 -11.760 1.00 0.00 C ATOM 543 C GLU A 34 -7.076 16.794 -11.981 1.00 0.00 C ATOM 544 O GLU A 34 -7.083 17.658 -12.858 1.00 0.00 O ATOM 545 CB GLU A 34 -5.983 14.601 -12.533 1.00 0.00 C ATOM 546 CG GLU A 34 -4.730 13.716 -12.458 1.00 0.00 C ATOM 547 CD GLU A 34 -3.433 14.516 -12.649 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.231 15.109 -13.731 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.621 14.577 -11.701 1.00 0.00 O ATOM 0 H GLU A 34 -6.342 14.945 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.994 16.516 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.834 14.047 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.203 14.819 -13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.703 13.211 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.791 12.940 -13.222 1.00 0.00 H new ATOM 556 N GLY A 35 -8.117 16.576 -11.177 1.00 0.00 N ATOM 557 CA GLY A 35 -9.328 17.385 -11.196 1.00 0.00 C ATOM 558 C GLY A 35 -10.380 16.800 -12.130 1.00 0.00 C ATOM 559 O GLY A 35 -11.227 17.544 -12.626 1.00 0.00 O ATOM 0 H GLY A 35 -8.140 15.824 -10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.735 17.455 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.084 18.399 -11.512 1.00 0.00 H new ATOM 563 N ILE A 36 -10.332 15.482 -12.387 1.00 0.00 N ATOM 564 CA ILE A 36 -11.246 14.825 -13.310 1.00 0.00 C ATOM 565 C ILE A 36 -12.134 13.965 -12.436 1.00 0.00 C ATOM 566 O ILE A 36 -11.582 13.174 -11.673 1.00 0.00 O ATOM 567 CB ILE A 36 -10.462 13.961 -14.307 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.476 14.809 -15.132 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.439 13.229 -15.247 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.424 13.881 -15.730 1.00 0.00 C ATOM 0 H ILE A 36 -9.656 14.851 -11.957 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.825 15.537 -13.898 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.885 13.231 -13.740 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.004 15.342 -15.922 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.003 15.561 -14.501 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.876 12.617 -15.952 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.099 12.591 -14.660 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.034 13.960 -15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.716 14.465 -16.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.893 13.368 -14.928 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.910 13.146 -16.372 1.00 0.00 H new ATOM 582 N PRO A 37 -13.464 14.049 -12.536 1.00 0.00 N ATOM 583 CA PRO A 37 -14.352 13.233 -11.729 1.00 0.00 C ATOM 584 C PRO A 37 -14.084 11.745 -11.956 1.00 0.00 C ATOM 585 O PRO A 37 -13.760 11.349 -13.076 1.00 0.00 O ATOM 586 CB PRO A 37 -15.776 13.660 -12.075 1.00 0.00 C ATOM 587 CG PRO A 37 -15.650 14.834 -13.051 1.00 0.00 C ATOM 588 CD PRO A 37 -14.194 14.827 -13.515 1.00 0.00 C ATOM 0 HA PRO A 37 -14.185 13.383 -10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.329 12.837 -12.527 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.321 13.957 -11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.331 14.718 -13.894 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.902 15.777 -12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.104 14.387 -14.508 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.800 15.841 -13.579 1.00 0.00 H new ATOM 596 N PRO A 38 -14.230 10.890 -10.929 1.00 0.00 N ATOM 597 CA PRO A 38 -13.916 9.469 -11.066 1.00 0.00 C ATOM 598 C PRO A 38 -14.817 8.785 -12.070 1.00 0.00 C ATOM 599 O PRO A 38 -14.353 7.948 -12.844 1.00 0.00 O ATOM 600 CB PRO A 38 -14.100 8.885 -9.671 1.00 0.00 C ATOM 601 CG PRO A 38 -15.038 9.852 -8.950 1.00 0.00 C ATOM 602 CD PRO A 38 -14.679 11.198 -9.573 1.00 0.00 C ATOM 0 HA PRO A 38 -12.904 9.321 -11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.527 7.883 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.146 8.801 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.085 9.597 -9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.873 9.848 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.540 11.867 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.895 11.698 -9.004 1.00 0.00 H new ATOM 610 N ASP A 39 -16.073 9.217 -12.138 1.00 0.00 N ATOM 611 CA ASP A 39 -17.052 8.651 -13.063 1.00 0.00 C ATOM 612 C ASP A 39 -16.667 8.904 -14.525 1.00 0.00 C ATOM 613 O ASP A 39 -17.151 8.226 -15.427 1.00 0.00 O ATOM 614 CB ASP A 39 -18.437 9.233 -12.740 1.00 0.00 C ATOM 615 CG ASP A 39 -19.522 8.751 -13.715 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.963 7.582 -13.616 1.00 0.00 O ATOM 617 OD2 ASP A 39 -19.967 9.545 -14.578 1.00 0.00 O ATOM 0 H ASP A 39 -16.441 9.968 -11.555 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.075 7.569 -12.935 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.717 8.954 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.385 10.321 -12.769 1.00 0.00 H new ATOM 622 N GLN A 40 -15.738 9.834 -14.760 1.00 0.00 N ATOM 623 CA GLN A 40 -15.326 10.259 -16.092 1.00 0.00 C ATOM 624 C GLN A 40 -13.903 9.796 -16.430 1.00 0.00 C ATOM 625 O GLN A 40 -13.506 9.884 -17.591 1.00 0.00 O ATOM 626 CB GLN A 40 -15.542 11.784 -16.155 1.00 0.00 C ATOM 627 CG GLN A 40 -15.387 12.375 -17.568 1.00 0.00 C ATOM 628 CD GLN A 40 -16.086 13.731 -17.759 1.00 0.00 C ATOM 629 OE1 GLN A 40 -16.835 14.215 -16.916 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.882 14.352 -18.912 1.00 0.00 N ATOM 0 H GLN A 40 -15.244 10.320 -14.012 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.927 9.787 -16.869 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -16.539 12.016 -15.781 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.830 12.270 -15.488 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.326 12.491 -17.788 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.787 11.666 -18.293 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.258 13.944 -19.608 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.349 15.238 -19.103 1.00 0.00 H new ATOM 639 N GLN A 41 -13.146 9.241 -15.475 1.00 0.00 N ATOM 640 CA GLN A 41 -11.875 8.590 -15.772 1.00 0.00 C ATOM 641 C GLN A 41 -12.146 7.218 -16.365 1.00 0.00 C ATOM 642 O GLN A 41 -13.086 6.531 -15.979 1.00 0.00 O ATOM 643 CB GLN A 41 -11.068 8.428 -14.469 1.00 0.00 C ATOM 644 CG GLN A 41 -10.423 9.735 -13.986 1.00 0.00 C ATOM 645 CD GLN A 41 -10.054 9.635 -12.519 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.410 8.681 -12.122 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.489 10.550 -11.669 1.00 0.00 N ATOM 0 H GLN A 41 -13.398 9.233 -14.487 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.309 9.195 -16.481 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.725 8.045 -13.688 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.288 7.682 -14.623 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.532 9.948 -14.577 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.113 10.565 -14.138 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.028 11.347 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.286 10.459 -10.674 1.00 0.00 H new ATOM 656 N ARG A 42 -11.227 6.783 -17.214 1.00 0.00 N ATOM 657 CA ARG A 42 -11.159 5.452 -17.795 1.00 0.00 C ATOM 658 C ARG A 42 -9.758 5.007 -17.433 1.00 0.00 C ATOM 659 O ARG A 42 -8.797 5.503 -17.994 1.00 0.00 O ATOM 660 CB ARG A 42 -11.439 5.609 -19.293 1.00 0.00 C ATOM 661 CG ARG A 42 -11.544 4.302 -20.084 1.00 0.00 C ATOM 662 CD ARG A 42 -11.885 4.623 -21.552 1.00 0.00 C ATOM 663 NE ARG A 42 -12.331 3.444 -22.317 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.012 3.435 -23.478 1.00 0.00 C ATOM 665 NH1 ARG A 42 -13.318 4.566 -24.112 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.378 2.273 -23.999 1.00 0.00 N ATOM 0 H ARG A 42 -10.467 7.383 -17.533 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.875 4.707 -17.446 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.370 6.163 -19.415 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.647 6.216 -19.731 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.604 3.753 -20.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.313 3.662 -19.651 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.667 5.382 -21.579 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.008 5.052 -22.036 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.097 2.533 -21.922 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.035 5.464 -23.719 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.835 4.534 -24.991 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.143 1.403 -23.521 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.895 2.248 -24.878 1.00 0.00 H new ATOM 680 N LEU A 43 -9.624 4.253 -16.358 1.00 0.00 N ATOM 681 CA LEU A 43 -8.311 3.936 -15.804 1.00 0.00 C ATOM 682 C LEU A 43 -7.844 2.716 -16.557 1.00 0.00 C ATOM 683 O LEU A 43 -8.614 1.777 -16.735 1.00 0.00 O ATOM 684 CB LEU A 43 -8.452 3.667 -14.295 1.00 0.00 C ATOM 685 CG LEU A 43 -7.315 4.197 -13.416 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.255 5.738 -13.451 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.620 3.745 -11.980 1.00 0.00 C ATOM 0 H LEU A 43 -10.407 3.846 -15.847 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.591 4.747 -15.911 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.388 4.109 -13.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.533 2.591 -14.143 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.359 3.817 -13.775 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.438 6.085 -12.818 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.088 6.072 -14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.197 6.147 -13.085 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.835 4.100 -11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.578 4.157 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.664 2.657 -11.943 1.00 0.00 H new ATOM 699 N ILE A 44 -6.599 2.722 -16.999 1.00 0.00 N ATOM 700 CA ILE A 44 -6.019 1.636 -17.778 1.00 0.00 C ATOM 701 C ILE A 44 -4.779 1.193 -17.039 1.00 0.00 C ATOM 702 O ILE A 44 -4.137 1.976 -16.345 1.00 0.00 O ATOM 703 CB ILE A 44 -5.777 2.086 -19.242 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.142 2.508 -19.834 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.091 0.997 -20.092 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.212 2.709 -21.350 1.00 0.00 C ATOM 0 H ILE A 44 -5.951 3.491 -16.826 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.687 0.780 -17.870 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.085 2.928 -19.254 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.878 1.753 -19.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.445 3.439 -19.355 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.946 1.366 -21.107 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.124 0.749 -19.654 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.718 0.105 -20.116 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.223 3.003 -21.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.512 3.490 -21.646 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.951 1.778 -21.853 1.00 0.00 H new ATOM 718 N PHE A 45 -4.448 -0.076 -17.194 1.00 0.00 N ATOM 719 CA PHE A 45 -3.250 -0.652 -16.637 1.00 0.00 C ATOM 720 C PHE A 45 -2.797 -1.704 -17.620 1.00 0.00 C ATOM 721 O PHE A 45 -3.552 -2.632 -17.869 1.00 0.00 O ATOM 722 CB PHE A 45 -3.609 -1.290 -15.297 1.00 0.00 C ATOM 723 CG PHE A 45 -2.531 -2.195 -14.773 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.282 -1.629 -14.491 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.749 -3.575 -14.618 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.242 -2.439 -14.013 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.725 -4.378 -14.100 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.484 -3.808 -13.777 1.00 0.00 C ATOM 0 H PHE A 45 -5.016 -0.741 -17.719 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.462 0.083 -16.472 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.804 -0.504 -14.567 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.532 -1.859 -15.407 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.120 -0.572 -14.641 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.697 -4.012 -14.896 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.735 -2.018 -13.827 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.890 -5.435 -13.949 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.292 -4.423 -13.344 1.00 0.00 H new ATOM 738 N ALA A 46 -1.613 -1.563 -18.213 1.00 0.00 N ATOM 739 CA ALA A 46 -1.052 -2.544 -19.151 1.00 0.00 C ATOM 740 C ALA A 46 -1.990 -2.896 -20.333 1.00 0.00 C ATOM 741 O ALA A 46 -1.920 -3.988 -20.901 1.00 0.00 O ATOM 742 CB ALA A 46 -0.645 -3.786 -18.348 1.00 0.00 C ATOM 0 H ALA A 46 -1.007 -0.758 -18.057 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.181 -2.099 -19.633 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.224 -4.533 -19.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.100 -3.509 -17.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.521 -4.200 -17.849 1.00 0.00 H new ATOM 748 N GLY A 47 -2.898 -1.977 -20.678 1.00 0.00 N ATOM 749 CA GLY A 47 -3.924 -2.148 -21.714 1.00 0.00 C ATOM 750 C GLY A 47 -5.276 -2.631 -21.183 1.00 0.00 C ATOM 751 O GLY A 47 -6.274 -2.569 -21.899 1.00 0.00 O ATOM 0 H GLY A 47 -2.941 -1.062 -20.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.067 -1.198 -22.229 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.561 -2.861 -22.455 1.00 0.00 H new ATOM 755 N LYS A 48 -5.346 -3.067 -19.922 1.00 0.00 N ATOM 756 CA LYS A 48 -6.560 -3.507 -19.262 1.00 0.00 C ATOM 757 C LYS A 48 -7.240 -2.270 -18.727 1.00 0.00 C ATOM 758 O LYS A 48 -6.647 -1.547 -17.941 1.00 0.00 O ATOM 759 CB LYS A 48 -6.181 -4.450 -18.100 1.00 0.00 C ATOM 760 CG LYS A 48 -7.381 -5.001 -17.316 1.00 0.00 C ATOM 761 CD LYS A 48 -8.242 -6.024 -18.075 1.00 0.00 C ATOM 762 CE LYS A 48 -7.452 -7.301 -18.425 1.00 0.00 C ATOM 763 NZ LYS A 48 -8.307 -8.330 -19.078 1.00 0.00 N ATOM 0 H LYS A 48 -4.525 -3.122 -19.319 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.221 -4.042 -19.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.607 -5.287 -18.499 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.527 -3.915 -17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.015 -5.466 -16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.015 -4.166 -17.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.108 -6.289 -17.469 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.621 -5.570 -18.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.625 -7.045 -19.087 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.016 -7.717 -17.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.734 -9.170 -19.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.082 -8.595 -18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.703 -7.944 -19.959 1.00 0.00 H new ATOM 777 N GLN A 49 -8.456 -1.990 -19.150 1.00 0.00 N ATOM 778 CA GLN A 49 -9.276 -0.965 -18.520 1.00 0.00 C ATOM 779 C GLN A 49 -9.798 -1.591 -17.234 1.00 0.00 C ATOM 780 O GLN A 49 -10.301 -2.718 -17.251 1.00 0.00 O ATOM 781 CB GLN A 49 -10.442 -0.591 -19.446 1.00 0.00 C ATOM 782 CG GLN A 49 -9.949 0.185 -20.673 1.00 0.00 C ATOM 783 CD GLN A 49 -10.868 0.000 -21.884 1.00 0.00 C ATOM 784 OE1 GLN A 49 -11.880 0.685 -22.011 1.00 0.00 O ATOM 785 NE2 GLN A 49 -10.536 -0.894 -22.804 1.00 0.00 N ATOM 0 H GLN A 49 -8.905 -2.461 -19.935 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.712 -0.054 -18.320 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.959 -1.495 -19.768 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.166 0.012 -18.898 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.883 1.245 -20.428 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.943 -0.146 -20.929 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.693 -1.457 -22.688 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.123 -1.019 -23.629 1.00 0.00 H new ATOM 794 N LEU A 50 -9.658 -0.862 -16.132 1.00 0.00 N ATOM 795 CA LEU A 50 -10.129 -1.329 -14.828 1.00 0.00 C ATOM 796 C LEU A 50 -11.552 -0.803 -14.608 1.00 0.00 C ATOM 797 O LEU A 50 -11.919 0.201 -15.227 1.00 0.00 O ATOM 798 CB LEU A 50 -9.198 -0.878 -13.688 1.00 0.00 C ATOM 799 CG LEU A 50 -7.682 -1.162 -13.738 1.00 0.00 C ATOM 800 CD1 LEU A 50 -7.276 -2.380 -14.567 1.00 0.00 C ATOM 801 CD2 LEU A 50 -6.901 0.051 -14.240 1.00 0.00 C ATOM 0 H LEU A 50 -9.220 0.059 -16.114 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.127 -2.419 -14.820 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.317 0.201 -13.587 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.577 -1.328 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.428 -1.386 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.192 -2.494 -14.539 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.746 -3.273 -14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.600 -2.242 -15.599 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.837 -0.185 -14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.236 0.309 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.071 0.895 -13.572 1.00 0.00 H new ATOM 813 N GLU A 51 -12.331 -1.397 -13.693 1.00 0.00 N ATOM 814 CA GLU A 51 -13.667 -0.889 -13.366 1.00 0.00 C ATOM 815 C GLU A 51 -13.745 -0.520 -11.886 1.00 0.00 C ATOM 816 O GLU A 51 -12.999 -1.055 -11.067 1.00 0.00 O ATOM 817 CB GLU A 51 -14.777 -1.835 -13.860 1.00 0.00 C ATOM 818 CG GLU A 51 -14.935 -3.125 -13.065 1.00 0.00 C ATOM 819 CD GLU A 51 -16.042 -4.018 -13.651 1.00 0.00 C ATOM 820 OE1 GLU A 51 -15.756 -4.846 -14.547 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.211 -3.908 -13.206 1.00 0.00 O ATOM 0 H GLU A 51 -12.058 -2.228 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.846 0.037 -13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.725 -1.297 -13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.577 -2.091 -14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.991 -3.669 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.169 -2.887 -12.027 1.00 0.00 H new ATOM 828 N ASP A 52 -14.644 0.404 -11.545 1.00 0.00 N ATOM 829 CA ASP A 52 -14.747 1.079 -10.248 1.00 0.00 C ATOM 830 C ASP A 52 -14.847 0.104 -9.087 1.00 0.00 C ATOM 831 O ASP A 52 -14.244 0.328 -8.036 1.00 0.00 O ATOM 832 CB ASP A 52 -15.960 2.024 -10.242 1.00 0.00 C ATOM 833 CG ASP A 52 -15.635 3.368 -10.902 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.452 3.397 -12.142 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.512 4.390 -10.193 1.00 0.00 O ATOM 0 H ASP A 52 -15.359 0.719 -12.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.829 1.650 -10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.791 1.553 -10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.285 2.192 -9.215 1.00 0.00 H new ATOM 840 N GLY A 53 -15.571 -0.995 -9.301 1.00 0.00 N ATOM 841 CA GLY A 53 -15.890 -1.976 -8.278 1.00 0.00 C ATOM 842 C GLY A 53 -14.775 -2.984 -8.006 1.00 0.00 C ATOM 843 O GLY A 53 -15.010 -3.966 -7.297 1.00 0.00 O ATOM 0 H GLY A 53 -15.959 -1.228 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.126 -1.454 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.788 -2.517 -8.577 1.00 0.00 H new ATOM 847 N ARG A 54 -13.581 -2.784 -8.573 1.00 0.00 N ATOM 848 CA ARG A 54 -12.468 -3.725 -8.500 1.00 0.00 C ATOM 849 C ARG A 54 -11.320 -3.086 -7.757 1.00 0.00 C ATOM 850 O ARG A 54 -11.420 -1.921 -7.395 1.00 0.00 O ATOM 851 CB ARG A 54 -12.086 -4.124 -9.925 1.00 0.00 C ATOM 852 CG ARG A 54 -13.191 -4.871 -10.683 1.00 0.00 C ATOM 853 CD ARG A 54 -13.682 -6.143 -10.013 1.00 0.00 C ATOM 854 NE ARG A 54 -14.603 -6.893 -10.889 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.257 -7.771 -11.841 1.00 0.00 C ATOM 856 NH1 ARG A 54 -12.979 -8.076 -12.068 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.207 -8.350 -12.572 1.00 0.00 N ATOM 0 H ARG A 54 -13.361 -1.943 -9.107 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.745 -4.626 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.820 -3.226 -10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.196 -4.752 -9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.038 -4.198 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.823 -5.121 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.830 -6.772 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.188 -5.893 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.601 -6.727 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.244 -7.639 -11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.737 -8.747 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.188 -8.124 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.954 -9.019 -13.299 1.00 0.00 H new ATOM 871 N THR A 55 -10.235 -3.805 -7.522 1.00 0.00 N ATOM 872 CA THR A 55 -9.137 -3.351 -6.688 1.00 0.00 C ATOM 873 C THR A 55 -7.836 -3.559 -7.420 1.00 0.00 C ATOM 874 O THR A 55 -7.768 -4.271 -8.419 1.00 0.00 O ATOM 875 CB THR A 55 -9.129 -4.129 -5.364 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.197 -5.516 -5.644 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.290 -3.738 -4.454 1.00 0.00 C ATOM 0 H THR A 55 -10.091 -4.736 -7.913 1.00 0.00 H new ATOM 0 HA THR A 55 -9.261 -2.291 -6.469 1.00 0.00 H new ATOM 0 HB THR A 55 -8.206 -3.884 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.191 -6.020 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.240 -4.316 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.227 -2.675 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.234 -3.943 -4.960 1.00 0.00 H new ATOM 885 N LEU A 56 -6.778 -2.953 -6.906 1.00 0.00 N ATOM 886 CA LEU A 56 -5.458 -3.099 -7.508 1.00 0.00 C ATOM 887 C LEU A 56 -5.048 -4.577 -7.547 1.00 0.00 C ATOM 888 O LEU A 56 -4.665 -5.089 -8.596 1.00 0.00 O ATOM 889 CB LEU A 56 -4.466 -2.176 -6.763 1.00 0.00 C ATOM 890 CG LEU A 56 -4.908 -0.701 -6.754 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.799 0.184 -6.198 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.284 -0.194 -8.156 1.00 0.00 C ATOM 0 H LEU A 56 -6.804 -2.358 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.462 -2.780 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.357 -2.523 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.485 -2.253 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.792 -0.647 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.128 1.223 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.566 -0.122 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.909 0.085 -6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.589 0.851 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.423 -0.283 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.108 -0.790 -8.550 1.00 0.00 H new ATOM 904 N SER A 57 -5.266 -5.293 -6.452 1.00 0.00 N ATOM 905 CA SER A 57 -5.074 -6.732 -6.329 1.00 0.00 C ATOM 906 C SER A 57 -5.931 -7.535 -7.312 1.00 0.00 C ATOM 907 O SER A 57 -5.456 -8.562 -7.800 1.00 0.00 O ATOM 908 CB SER A 57 -5.400 -7.183 -4.901 1.00 0.00 C ATOM 909 OG SER A 57 -4.265 -7.039 -4.076 1.00 0.00 O ATOM 0 H SER A 57 -5.596 -4.867 -5.586 1.00 0.00 H new ATOM 0 HA SER A 57 -4.028 -6.928 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.225 -6.592 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.726 -8.223 -4.905 1.00 0.00 H new ATOM 0 HG SER A 57 -4.484 -7.328 -3.165 1.00 0.00 H new ATOM 915 N ASP A 58 -7.142 -7.080 -7.657 1.00 0.00 N ATOM 916 CA ASP A 58 -7.983 -7.789 -8.626 1.00 0.00 C ATOM 917 C ASP A 58 -7.314 -7.840 -10.002 1.00 0.00 C ATOM 918 O ASP A 58 -7.530 -8.776 -10.775 1.00 0.00 O ATOM 919 CB ASP A 58 -9.343 -7.111 -8.730 1.00 0.00 C ATOM 920 CG ASP A 58 -10.291 -7.934 -9.618 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.715 -9.035 -9.190 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.666 -7.458 -10.713 1.00 0.00 O ATOM 0 H ASP A 58 -7.559 -6.228 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.118 -8.812 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.775 -6.996 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.226 -6.110 -9.144 1.00 0.00 H new ATOM 927 N TYR A 59 -6.415 -6.881 -10.249 1.00 0.00 N ATOM 928 CA TYR A 59 -5.603 -6.761 -11.452 1.00 0.00 C ATOM 929 C TYR A 59 -4.122 -7.093 -11.192 1.00 0.00 C ATOM 930 O TYR A 59 -3.287 -6.956 -12.084 1.00 0.00 O ATOM 931 CB TYR A 59 -5.812 -5.350 -12.002 1.00 0.00 C ATOM 932 CG TYR A 59 -7.261 -5.045 -12.339 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.879 -5.729 -13.407 1.00 0.00 C ATOM 934 CD2 TYR A 59 -8.002 -4.126 -11.570 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.223 -5.472 -13.732 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.348 -3.883 -11.878 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.956 -4.533 -12.972 1.00 0.00 C ATOM 938 OH TYR A 59 -11.233 -4.203 -13.323 1.00 0.00 O ATOM 0 H TYR A 59 -6.229 -6.134 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.916 -7.493 -12.196 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.456 -4.626 -11.269 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.203 -5.223 -12.897 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.317 -6.454 -13.978 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.534 -3.610 -10.745 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.691 -5.989 -14.557 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.922 -3.195 -11.275 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.659 -4.968 -13.763 1.00 0.00 H new ATOM 948 N ASN A 60 -3.803 -7.557 -9.976 1.00 0.00 N ATOM 949 CA ASN A 60 -2.470 -7.910 -9.472 1.00 0.00 C ATOM 950 C ASN A 60 -1.470 -6.748 -9.518 1.00 0.00 C ATOM 951 O ASN A 60 -0.252 -6.939 -9.459 1.00 0.00 O ATOM 952 CB ASN A 60 -1.967 -9.242 -10.079 1.00 0.00 C ATOM 953 CG ASN A 60 -2.137 -10.400 -9.098 1.00 0.00 C ATOM 954 OD1 ASN A 60 -1.188 -11.122 -8.803 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.331 -10.597 -8.558 1.00 0.00 N ATOM 0 H ASN A 60 -4.522 -7.706 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.566 -8.102 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.516 -9.456 -10.996 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.916 -9.145 -10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.470 -11.355 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.111 -9.991 -8.811 1.00 0.00 H new ATOM 962 N ILE A 61 -2.001 -5.528 -9.567 1.00 0.00 N ATOM 963 CA ILE A 61 -1.274 -4.282 -9.397 1.00 0.00 C ATOM 964 C ILE A 61 -0.833 -4.266 -7.933 1.00 0.00 C ATOM 965 O ILE A 61 -1.649 -4.425 -7.024 1.00 0.00 O ATOM 966 CB ILE A 61 -2.218 -3.102 -9.713 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.732 -3.128 -11.161 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.570 -1.737 -9.421 1.00 0.00 C ATOM 969 CD1 ILE A 61 -4.026 -2.334 -11.307 1.00 0.00 C ATOM 0 H ILE A 61 -2.996 -5.380 -9.734 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.414 -4.195 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.069 -3.231 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.973 -2.715 -11.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.899 -4.160 -11.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.275 -0.941 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.302 -1.680 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.673 -1.622 -10.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.362 -2.373 -12.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.791 -2.764 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.851 -1.297 -11.021 1.00 0.00 H new ATOM 981 N GLN A 62 0.461 -4.059 -7.715 1.00 0.00 N ATOM 982 CA GLN A 62 1.093 -4.030 -6.402 1.00 0.00 C ATOM 983 C GLN A 62 1.783 -2.673 -6.255 1.00 0.00 C ATOM 984 O GLN A 62 1.507 -1.745 -7.009 1.00 0.00 O ATOM 985 CB GLN A 62 2.063 -5.224 -6.309 1.00 0.00 C ATOM 986 CG GLN A 62 1.285 -6.543 -6.316 1.00 0.00 C ATOM 987 CD GLN A 62 2.174 -7.703 -6.755 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.906 -8.297 -5.963 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.135 -8.027 -8.038 1.00 0.00 N ATOM 0 H GLN A 62 1.122 -3.901 -8.476 1.00 0.00 H new ATOM 0 HA GLN A 62 0.381 -4.132 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.760 -5.201 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.657 -5.149 -5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.889 -6.741 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.431 -6.461 -6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.520 -7.519 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.720 -8.784 -8.391 1.00 0.00 H new ATOM 998 N LYS A 63 2.645 -2.512 -5.259 1.00 0.00 N ATOM 999 CA LYS A 63 3.419 -1.305 -5.055 1.00 0.00 C ATOM 1000 C LYS A 63 4.346 -1.042 -6.236 1.00 0.00 C ATOM 1001 O LYS A 63 4.702 -1.940 -6.995 1.00 0.00 O ATOM 1002 CB LYS A 63 4.216 -1.431 -3.743 1.00 0.00 C ATOM 1003 CG LYS A 63 5.445 -2.340 -3.824 1.00 0.00 C ATOM 1004 CD LYS A 63 6.045 -2.546 -2.425 1.00 0.00 C ATOM 1005 CE LYS A 63 7.401 -3.248 -2.534 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.003 -3.545 -1.208 1.00 0.00 N ATOM 0 H LYS A 63 2.825 -3.233 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 63 2.742 -0.454 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.537 -0.437 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.552 -1.809 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.167 -3.302 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.190 -1.899 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.163 -1.584 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.367 -3.141 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.280 -4.178 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.085 -2.621 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.919 -4.020 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.146 -2.658 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.366 -4.166 -0.669 1.00 0.00 H new ATOM 1020 N GLU A 64 4.780 0.214 -6.266 1.00 0.00 N ATOM 1021 CA GLU A 64 5.701 0.806 -7.224 1.00 0.00 C ATOM 1022 C GLU A 64 5.354 0.338 -8.638 1.00 0.00 C ATOM 1023 O GLU A 64 6.207 -0.118 -9.401 1.00 0.00 O ATOM 1024 CB GLU A 64 7.170 0.697 -6.744 1.00 0.00 C ATOM 1025 CG GLU A 64 7.867 -0.657 -6.856 1.00 0.00 C ATOM 1026 CD GLU A 64 9.173 -0.679 -6.040 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.241 -0.302 -6.583 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.146 -1.080 -4.849 1.00 0.00 O ATOM 0 H GLU A 64 4.473 0.893 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 64 5.579 1.887 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.759 1.422 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.202 1.003 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.200 -1.443 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.085 -0.872 -7.902 1.00 0.00 H new ATOM 1035 N SER A 65 4.058 0.444 -8.957 1.00 0.00 N ATOM 1036 CA SER A 65 3.557 -0.014 -10.258 1.00 0.00 C ATOM 1037 C SER A 65 2.942 1.155 -11.005 1.00 0.00 C ATOM 1038 O SER A 65 2.620 2.163 -10.384 1.00 0.00 O ATOM 1039 CB SER A 65 2.583 -1.176 -10.073 1.00 0.00 C ATOM 1040 OG SER A 65 1.438 -0.723 -9.388 1.00 0.00 O ATOM 0 H SER A 65 3.346 0.837 -8.341 1.00 0.00 H new ATOM 0 HA SER A 65 4.381 -0.392 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.301 -1.587 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.061 -1.980 -9.513 1.00 0.00 H new ATOM 0 HG SER A 65 1.432 -1.093 -8.481 1.00 0.00 H new ATOM 1046 N THR A 66 2.772 1.033 -12.315 1.00 0.00 N ATOM 1047 CA THR A 66 2.394 2.146 -13.178 1.00 0.00 C ATOM 1048 C THR A 66 1.017 1.901 -13.787 1.00 0.00 C ATOM 1049 O THR A 66 0.742 0.824 -14.309 1.00 0.00 O ATOM 1050 CB THR A 66 3.461 2.382 -14.272 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.754 2.408 -13.687 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.242 3.696 -15.043 1.00 0.00 C ATOM 0 H THR A 66 2.893 0.151 -12.813 1.00 0.00 H new ATOM 0 HA THR A 66 2.339 3.051 -12.574 1.00 0.00 H new ATOM 0 HB THR A 66 3.371 1.558 -14.980 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.426 2.556 -14.385 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.020 3.809 -15.798 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.266 3.675 -15.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.284 4.536 -14.350 1.00 0.00 H new ATOM 1060 N LEU A 67 0.182 2.935 -13.739 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.181 3.002 -14.247 1.00 0.00 C ATOM 1062 C LEU A 67 -1.276 4.046 -15.356 1.00 0.00 C ATOM 1063 O LEU A 67 -0.338 4.817 -15.551 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.092 3.427 -13.075 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.271 2.499 -12.827 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.780 1.161 -12.280 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.223 3.136 -11.824 1.00 0.00 C ATOM 0 H LEU A 67 0.465 3.816 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.481 2.035 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.492 3.483 -12.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.470 4.431 -13.270 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.792 2.331 -13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.632 0.504 -12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.107 0.698 -13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.250 1.324 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.067 2.469 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.698 3.312 -10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.587 4.084 -12.219 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.444 4.162 -15.995 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.676 5.147 -17.055 1.00 0.00 C ATOM 1081 C HIS A 68 -4.007 5.863 -16.847 1.00 0.00 C ATOM 1082 O HIS A 68 -5.020 5.207 -16.594 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.686 4.455 -18.433 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.347 4.329 -19.108 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.893 3.180 -19.760 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.460 5.346 -19.318 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.278 3.527 -20.321 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.568 4.810 -20.057 1.00 0.00 N ATOM 0 H HIS A 68 -3.254 3.576 -15.792 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.868 5.878 -17.017 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.109 3.457 -18.315 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.354 5.008 -19.093 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.353 2.270 -19.802 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.548 6.366 -18.973 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.900 2.864 -20.904 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.010 7.197 -16.971 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.250 7.987 -17.028 1.00 0.00 C ATOM 1098 C LEU A 69 -5.644 8.033 -18.487 1.00 0.00 C ATOM 1099 O LEU A 69 -4.876 8.521 -19.307 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.054 9.442 -16.488 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.797 10.624 -17.198 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.313 10.503 -17.013 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.383 11.980 -16.640 1.00 0.00 C ATOM 0 H LEU A 69 -3.160 7.757 -17.034 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.014 7.529 -16.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.354 9.447 -15.440 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.987 9.661 -16.515 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.524 10.561 -18.251 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.808 11.335 -17.514 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.658 9.563 -17.443 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.553 10.526 -15.950 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.924 12.769 -17.163 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.617 12.023 -15.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.311 12.120 -16.781 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.867 7.616 -18.778 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.531 7.781 -20.062 1.00 0.00 C ATOM 1117 C VAL A 70 -8.908 8.345 -19.713 1.00 0.00 C ATOM 1118 O VAL A 70 -9.340 8.291 -18.570 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.473 6.421 -20.787 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.297 6.411 -22.060 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.015 6.051 -21.116 1.00 0.00 C ATOM 0 H VAL A 70 -7.450 7.132 -18.095 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.080 8.475 -20.772 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.899 5.682 -20.108 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.224 5.432 -22.533 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.339 6.621 -21.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.921 7.173 -22.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.990 5.089 -21.627 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.582 6.816 -21.761 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.439 5.986 -20.193 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.606 8.926 -20.675 1.00 0.00 N ATOM 1132 CA LEU A 71 -10.901 9.555 -20.459 1.00 0.00 C ATOM 1133 C LEU A 71 -11.991 8.554 -20.837 1.00 0.00 C ATOM 1134 O LEU A 71 -11.800 7.753 -21.741 1.00 0.00 O ATOM 1135 CB LEU A 71 -10.937 10.805 -21.356 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.097 11.753 -21.022 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.608 12.898 -20.146 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.761 12.293 -22.286 1.00 0.00 C ATOM 0 H LEU A 71 -9.285 8.975 -21.642 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.063 9.847 -19.421 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.995 11.344 -21.256 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.018 10.495 -22.398 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.847 11.183 -20.473 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.441 13.562 -19.917 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.198 12.497 -19.219 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.834 13.455 -20.674 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.578 12.960 -22.011 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.027 12.841 -22.877 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.153 11.463 -22.874 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.154 8.605 -20.190 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.332 7.788 -20.564 1.00 0.00 C ATOM 1152 C ARG A 72 -15.028 8.302 -21.833 1.00 0.00 C ATOM 1153 O ARG A 72 -15.762 7.563 -22.469 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.278 7.724 -19.339 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.405 6.676 -19.435 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.214 6.696 -18.133 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.386 5.796 -18.171 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.299 5.681 -17.197 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.190 6.416 -16.096 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -20.316 4.838 -17.327 1.00 0.00 N ATOM 0 H ARG A 72 -13.318 9.213 -19.387 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.011 6.779 -20.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.683 7.514 -18.451 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.728 8.706 -19.196 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.052 6.895 -20.284 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.984 5.684 -19.602 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.567 6.407 -17.305 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.550 7.714 -17.935 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.509 5.218 -19.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.412 7.067 -15.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.885 6.329 -15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.406 4.273 -18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.008 4.755 -16.582 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.814 9.580 -22.181 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.541 10.339 -23.223 1.00 0.00 C ATOM 1176 C LEU A 73 -17.054 10.370 -22.896 1.00 0.00 C ATOM 1177 O LEU A 73 -17.845 10.648 -23.786 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.252 9.839 -24.668 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.827 9.760 -25.260 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.091 11.051 -25.591 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.883 8.830 -24.500 1.00 0.00 C ATOM 0 H LEU A 73 -14.096 10.144 -21.725 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.164 11.362 -23.206 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.673 8.836 -24.739 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.831 10.475 -25.338 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.089 9.336 -26.229 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.107 10.815 -25.996 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.661 11.616 -26.328 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.977 11.647 -24.686 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.905 8.832 -24.981 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.782 9.175 -23.471 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.287 7.818 -24.505 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.611 16.743 -32.571 1.00 0.00 N ATOM 1326 CA ILE B 677 -8.901 15.980 -31.539 1.00 0.00 C ATOM 1327 C ILE B 677 -7.823 16.929 -31.009 1.00 0.00 C ATOM 1328 O ILE B 677 -7.091 17.530 -31.805 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.276 14.654 -32.042 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.325 13.599 -32.456 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.385 14.035 -30.934 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -10.072 13.886 -33.764 1.00 0.00 C ATOM 0 HA ILE B 677 -9.604 15.659 -30.770 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.694 14.914 -32.926 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -8.827 12.634 -32.547 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -10.057 13.506 -31.653 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -6.950 13.103 -31.295 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.588 14.732 -30.676 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -7.991 13.834 -30.050 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -10.783 13.084 -33.960 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -10.607 14.832 -33.678 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -9.358 13.946 -34.585 1.00 0.00 H new ATOM 1344 N THR B 678 -7.708 17.056 -29.691 1.00 0.00 N ATOM 1345 CA THR B 678 -6.736 17.909 -29.056 1.00 0.00 C ATOM 1346 C THR B 678 -6.043 17.171 -27.907 1.00 0.00 C ATOM 1347 O THR B 678 -6.569 16.235 -27.297 1.00 0.00 O ATOM 1348 CB THR B 678 -7.430 19.234 -28.694 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.458 20.233 -28.434 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.426 19.168 -27.533 1.00 0.00 C ATOM 0 H THR B 678 -8.303 16.556 -29.031 1.00 0.00 H new ATOM 0 HA THR B 678 -5.913 18.169 -29.722 1.00 0.00 H new ATOM 0 HB THR B 678 -8.032 19.481 -29.569 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.906 21.074 -28.206 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.855 20.156 -27.365 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.222 18.464 -27.776 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.912 18.837 -26.631 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.814 17.615 -27.651 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.855 17.036 -26.724 1.00 0.00 C ATOM 1360 C PHE B 679 -3.448 18.148 -25.733 1.00 0.00 C ATOM 1361 O PHE B 679 -2.469 18.863 -25.977 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.669 16.450 -27.509 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.958 15.135 -28.218 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.893 13.914 -27.517 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.261 15.123 -29.592 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.125 12.695 -28.173 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.480 13.905 -30.258 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.399 12.691 -29.552 1.00 0.00 C ATOM 0 H PHE B 679 -4.442 18.442 -28.118 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.277 16.207 -26.155 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.345 17.182 -28.249 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.836 16.300 -26.822 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.662 13.916 -26.462 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.326 16.053 -30.137 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.093 11.767 -27.622 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.711 13.901 -31.313 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.547 11.755 -30.070 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.245 18.375 -24.672 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.026 19.417 -23.660 1.00 0.00 C ATOM 1380 C PRO B 680 -2.859 19.062 -22.726 1.00 0.00 C ATOM 1381 O PRO B 680 -2.259 17.994 -22.836 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.344 19.442 -22.866 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.724 17.967 -22.880 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.433 17.607 -24.330 1.00 0.00 C ATOM 0 HA PRO B 680 -3.771 20.376 -24.111 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.208 19.823 -21.854 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.100 20.067 -23.342 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.127 17.381 -22.182 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.770 17.808 -22.617 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.259 16.537 -24.445 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.271 17.865 -24.978 1.00 0.00 H new ATOM 1392 N SER B 681 -2.640 19.879 -21.696 1.00 0.00 N ATOM 1393 CA SER B 681 -1.733 19.646 -20.567 1.00 0.00 C ATOM 1394 C SER B 681 -2.121 18.436 -19.681 1.00 0.00 C ATOM 1395 O SER B 681 -1.699 18.352 -18.526 1.00 0.00 O ATOM 1396 CB SER B 681 -1.664 20.938 -19.736 1.00 0.00 C ATOM 1397 OG SER B 681 -1.485 22.075 -20.579 1.00 0.00 O ATOM 0 H SER B 681 -3.119 20.776 -21.621 1.00 0.00 H new ATOM 0 HA SER B 681 -0.755 19.387 -20.974 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.579 21.051 -19.155 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.841 20.874 -19.024 1.00 0.00 H new ATOM 0 HG SER B 681 -1.445 22.886 -20.030 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.909 17.492 -20.205 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.317 16.259 -19.535 1.00 0.00 C ATOM 1405 C ASP B 682 -3.227 15.026 -20.437 1.00 0.00 C ATOM 1406 O ASP B 682 -3.143 13.909 -19.925 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.749 16.371 -19.014 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.901 17.395 -17.883 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.666 17.041 -16.707 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.279 18.555 -18.176 1.00 0.00 O ATOM 0 H ASP B 682 -3.294 17.572 -21.146 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.617 16.129 -18.709 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.408 16.648 -19.837 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -5.077 15.394 -18.658 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.242 15.185 -21.766 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.172 14.090 -22.718 1.00 0.00 C ATOM 1417 C ILE B 683 -2.230 14.541 -23.847 1.00 0.00 C ATOM 1418 O ILE B 683 -2.451 15.604 -24.413 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.588 13.720 -23.227 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.526 13.017 -22.216 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.490 12.797 -24.455 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -6.040 13.797 -21.010 1.00 0.00 C ATOM 0 H ILE B 683 -3.305 16.101 -22.210 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.779 13.182 -22.260 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.031 14.692 -23.446 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.394 12.658 -22.769 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -5.003 12.138 -21.839 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.492 12.545 -24.802 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -3.948 13.307 -25.251 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.960 11.884 -24.183 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.682 13.154 -20.408 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.196 14.133 -20.408 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.609 14.661 -21.352 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.215 13.743 -24.202 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.180 14.041 -25.199 1.00 0.00 C ATOM 1436 C ASP B 684 0.010 12.812 -26.098 1.00 0.00 C ATOM 1437 O ASP B 684 -0.149 11.687 -25.607 1.00 0.00 O ATOM 1438 CB ASP B 684 1.142 14.344 -24.485 1.00 0.00 C ATOM 1439 CG ASP B 684 2.309 14.568 -25.449 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.974 13.568 -25.808 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.567 15.740 -25.812 1.00 0.00 O ATOM 0 H ASP B 684 -1.087 12.824 -23.779 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.480 14.902 -25.796 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.017 15.231 -23.863 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.384 13.518 -23.817 1.00 0.00 H new ATOM 1446 N PRO B 685 0.334 12.969 -27.398 1.00 0.00 N ATOM 1447 CA PRO B 685 0.483 11.837 -28.299 1.00 0.00 C ATOM 1448 C PRO B 685 1.454 10.757 -27.815 1.00 0.00 C ATOM 1449 O PRO B 685 1.232 9.592 -28.125 1.00 0.00 O ATOM 1450 CB PRO B 685 0.935 12.413 -29.644 1.00 0.00 C ATOM 1451 CG PRO B 685 0.407 13.843 -29.616 1.00 0.00 C ATOM 1452 CD PRO B 685 0.515 14.213 -28.139 1.00 0.00 C ATOM 0 HA PRO B 685 -0.473 11.318 -28.365 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.020 12.388 -29.747 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.522 11.849 -30.481 1.00 0.00 H new ATOM 0 HG2 PRO B 685 1.002 14.506 -30.244 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.621 13.902 -29.974 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.484 14.661 -27.919 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.244 14.945 -27.864 1.00 0.00 H new ATOM 1460 N GLN B 686 2.515 11.079 -27.061 1.00 0.00 N ATOM 1461 CA GLN B 686 3.529 10.078 -26.743 1.00 0.00 C ATOM 1462 C GLN B 686 2.942 8.951 -25.885 1.00 0.00 C ATOM 1463 O GLN B 686 3.062 7.791 -26.286 1.00 0.00 O ATOM 1464 CB GLN B 686 4.848 10.709 -26.238 1.00 0.00 C ATOM 1465 CG GLN B 686 5.391 10.258 -24.868 1.00 0.00 C ATOM 1466 CD GLN B 686 4.786 10.929 -23.629 1.00 0.00 C ATOM 1467 OE1 GLN B 686 5.047 10.495 -22.512 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.968 11.963 -23.758 1.00 0.00 N ATOM 0 H GLN B 686 2.687 12.005 -26.670 1.00 0.00 H new ATOM 0 HA GLN B 686 3.839 9.584 -27.664 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.619 10.512 -26.983 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.708 11.789 -26.202 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.239 9.182 -24.780 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.467 10.430 -24.856 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.748 12.327 -24.685 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.558 12.395 -22.930 1.00 0.00 H new ATOM 1477 N VAL B 687 2.243 9.231 -24.772 1.00 0.00 N ATOM 1478 CA VAL B 687 1.634 8.160 -24.003 1.00 0.00 C ATOM 1479 C VAL B 687 0.614 7.439 -24.874 1.00 0.00 C ATOM 1480 O VAL B 687 0.478 6.228 -24.750 1.00 0.00 O ATOM 1481 CB VAL B 687 0.981 8.718 -22.738 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.636 7.590 -21.759 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.916 9.706 -22.030 1.00 0.00 C ATOM 0 H VAL B 687 2.094 10.169 -24.401 1.00 0.00 H new ATOM 0 HA VAL B 687 2.400 7.449 -23.693 1.00 0.00 H new ATOM 0 HB VAL B 687 0.069 9.231 -23.045 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.173 8.011 -20.867 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.057 6.895 -22.234 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.546 7.060 -21.479 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.429 10.089 -21.133 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.840 9.198 -21.752 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.145 10.534 -22.700 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.062 8.146 -25.781 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.040 7.544 -26.666 1.00 0.00 C ATOM 1495 C PHE B 688 -0.403 6.514 -27.608 1.00 0.00 C ATOM 1496 O PHE B 688 -0.978 5.451 -27.848 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.777 8.649 -27.430 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.120 8.219 -27.959 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.101 7.788 -27.053 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.412 8.295 -29.329 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.387 7.454 -27.498 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.687 7.920 -29.789 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.663 7.483 -28.875 1.00 0.00 C ATOM 0 H PHE B 688 0.058 9.150 -25.917 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.764 6.991 -26.068 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -1.912 9.507 -26.772 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.156 8.981 -28.262 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -3.862 7.713 -26.002 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.662 8.639 -30.026 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.156 7.178 -26.792 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.917 7.967 -30.843 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.631 7.168 -29.235 1.00 0.00 H new ATOM 1513 N TYR B 689 0.798 6.796 -28.106 1.00 0.00 N ATOM 1514 CA TYR B 689 1.582 5.889 -28.932 1.00 0.00 C ATOM 1515 C TYR B 689 2.186 4.747 -28.122 1.00 0.00 C ATOM 1516 O TYR B 689 2.541 3.714 -28.694 1.00 0.00 O ATOM 1517 CB TYR B 689 2.698 6.664 -29.639 1.00 0.00 C ATOM 1518 CG TYR B 689 2.249 7.784 -30.563 1.00 0.00 C ATOM 1519 CD1 TYR B 689 1.024 7.707 -31.258 1.00 0.00 C ATOM 1520 CD2 TYR B 689 3.080 8.907 -30.733 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.639 8.740 -32.129 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.705 9.942 -31.610 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.481 9.860 -32.317 1.00 0.00 C ATOM 1524 OH TYR B 689 1.099 10.848 -33.180 1.00 0.00 O ATOM 0 H TYR B 689 1.264 7.688 -27.940 1.00 0.00 H new ATOM 0 HA TYR B 689 0.906 5.451 -29.666 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.356 7.088 -28.880 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.293 5.958 -30.219 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.380 6.851 -31.120 1.00 0.00 H new ATOM 0 HD2 TYR B 689 4.010 8.975 -30.188 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.302 8.678 -32.656 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.350 10.798 -31.744 1.00 0.00 H new ATOM 0 HH TYR B 689 1.784 11.549 -33.198 1.00 0.00 H new ATOM 1534 N GLU B 690 2.313 4.927 -26.810 1.00 0.00 N ATOM 1535 CA GLU B 690 3.064 4.028 -25.946 1.00 0.00 C ATOM 1536 C GLU B 690 2.147 3.039 -25.223 1.00 0.00 C ATOM 1537 O GLU B 690 2.547 1.895 -24.979 1.00 0.00 O ATOM 1538 CB GLU B 690 3.863 4.926 -24.981 1.00 0.00 C ATOM 1539 CG GLU B 690 4.123 4.338 -23.600 1.00 0.00 C ATOM 1540 CD GLU B 690 4.856 5.340 -22.701 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.176 6.194 -22.084 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.102 5.283 -22.583 1.00 0.00 O ATOM 0 H GLU B 690 1.891 5.712 -26.313 1.00 0.00 H new ATOM 0 HA GLU B 690 3.743 3.398 -26.520 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.822 5.162 -25.442 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.327 5.867 -24.861 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.177 4.055 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.716 3.428 -23.695 1.00 0.00 H new ATOM 1549 N LEU B 691 0.929 3.465 -24.872 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.084 2.587 -24.315 1.00 0.00 C ATOM 1551 C LEU B 691 -0.474 1.514 -25.339 1.00 0.00 C ATOM 1552 O LEU B 691 -0.110 1.594 -26.516 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.270 3.405 -23.747 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.141 4.247 -24.699 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -2.915 3.436 -25.728 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.150 5.043 -23.860 1.00 0.00 C ATOM 0 H LEU B 691 0.625 4.434 -24.970 1.00 0.00 H new ATOM 0 HA LEU B 691 0.319 2.045 -23.459 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -1.931 2.707 -23.233 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.868 4.079 -22.991 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.456 4.886 -25.256 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.500 4.108 -26.355 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.217 2.876 -26.350 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.583 2.743 -25.217 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.776 5.646 -24.518 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.777 4.354 -23.294 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.615 5.696 -23.170 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.223 0.511 -24.866 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.658 -0.629 -25.663 1.00 0.00 C ATOM 1570 C ALA B 692 -2.282 -0.150 -26.969 1.00 0.00 C ATOM 1571 O ALA B 692 -3.231 0.630 -26.942 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.655 -1.449 -24.841 1.00 0.00 C ATOM 0 H ALA B 692 -1.547 0.474 -23.900 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.804 -1.257 -25.918 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -2.990 -2.306 -25.425 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.173 -1.798 -23.927 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.513 -0.828 -24.584 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.792 -0.633 -28.109 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.256 -0.167 -29.414 1.00 0.00 C ATOM 1580 C GLU B 693 -3.756 -0.335 -29.545 1.00 0.00 C ATOM 1581 O GLU B 693 -4.428 0.557 -30.041 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.583 -0.954 -30.534 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.192 -0.369 -30.824 1.00 0.00 C ATOM 1584 CD GLU B 693 0.570 -1.215 -31.860 1.00 0.00 C ATOM 1585 OE1 GLU B 693 0.425 -0.964 -33.081 1.00 0.00 O ATOM 1586 OE2 GLU B 693 1.328 -2.131 -31.460 1.00 0.00 O ATOM 0 H GLU B 693 -1.069 -1.351 -28.155 1.00 0.00 H new ATOM 0 HA GLU B 693 -1.998 0.889 -29.495 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.494 -2.003 -30.250 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.197 -0.919 -31.434 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.295 0.652 -31.191 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.383 -0.319 -29.899 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.295 -1.445 -29.041 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.713 -1.695 -29.169 1.00 0.00 C ATOM 1595 C ALA B 694 -6.522 -0.602 -28.446 1.00 0.00 C ATOM 1596 O ALA B 694 -7.518 -0.117 -28.979 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.017 -3.088 -28.617 1.00 0.00 C ATOM 0 H ALA B 694 -3.773 -2.170 -28.549 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.006 -1.663 -30.218 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.084 -3.290 -28.707 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.457 -3.833 -29.182 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.726 -3.135 -27.568 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.048 -0.159 -27.273 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.636 0.955 -26.535 1.00 0.00 C ATOM 1605 C VAL B 695 -6.493 2.238 -27.350 1.00 0.00 C ATOM 1606 O VAL B 695 -7.451 2.996 -27.427 1.00 0.00 O ATOM 1607 CB VAL B 695 -5.996 1.048 -25.132 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.090 2.422 -24.459 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.649 0.037 -24.183 1.00 0.00 C ATOM 0 H VAL B 695 -5.238 -0.571 -26.810 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.703 0.794 -26.381 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.940 0.841 -25.308 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.612 2.381 -23.480 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.587 3.165 -25.078 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.138 2.698 -24.340 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.189 0.113 -23.198 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.715 0.249 -24.103 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.508 -0.971 -24.573 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.342 2.499 -27.976 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.157 3.678 -28.813 1.00 0.00 C ATOM 1621 C GLN B 696 -6.166 3.671 -29.957 1.00 0.00 C ATOM 1622 O GLN B 696 -6.793 4.693 -30.193 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.718 3.702 -29.335 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.370 4.870 -30.257 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.150 4.519 -31.096 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.206 4.455 -32.320 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.034 4.230 -30.447 1.00 0.00 N ATOM 0 H GLN B 696 -4.519 1.900 -27.915 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.329 4.581 -28.228 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.041 3.722 -28.481 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.529 2.771 -29.870 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.216 5.097 -30.906 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.172 5.765 -29.667 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.006 4.289 -29.429 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.201 3.948 -30.965 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.366 2.548 -30.652 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.329 2.475 -31.758 1.00 0.00 C ATOM 1638 C LYS B 697 -8.745 2.721 -31.245 1.00 0.00 C ATOM 1639 O LYS B 697 -9.471 3.530 -31.822 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.246 1.105 -32.455 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.882 0.805 -33.104 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.403 1.833 -34.147 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.355 2.048 -35.340 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.463 0.855 -36.226 1.00 0.00 N ATOM 0 H LYS B 697 -5.873 1.674 -30.469 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.080 3.249 -32.484 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.467 0.326 -31.726 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.019 1.053 -33.222 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.132 0.736 -32.316 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -5.934 -0.174 -33.581 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.250 2.790 -33.647 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.433 1.514 -34.529 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.346 2.305 -34.965 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -6.006 2.898 -35.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.116 1.062 -37.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.525 0.622 -36.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -6.823 0.047 -35.678 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.120 2.059 -30.152 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.436 2.228 -29.532 1.00 0.00 C ATOM 1660 C GLU B 698 -10.668 3.692 -29.149 1.00 0.00 C ATOM 1661 O GLU B 698 -11.720 4.259 -29.443 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.568 1.335 -28.285 1.00 0.00 C ATOM 1663 CG GLU B 698 -10.869 -0.134 -28.620 1.00 0.00 C ATOM 1664 CD GLU B 698 -10.918 -0.991 -27.342 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -11.843 -0.800 -26.515 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -10.040 -1.870 -27.152 1.00 0.00 O ATOM 0 H GLU B 698 -8.521 1.389 -29.670 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.191 1.930 -30.259 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -9.644 1.387 -27.709 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -11.362 1.726 -27.649 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -11.821 -0.203 -29.146 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -10.104 -0.522 -29.293 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.672 4.317 -28.513 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.752 5.699 -28.065 1.00 0.00 C ATOM 1675 C LEU B 699 -9.803 6.627 -29.247 1.00 0.00 C ATOM 1676 O LEU B 699 -10.616 7.527 -29.244 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.528 6.082 -27.231 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.668 5.659 -25.770 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.282 5.565 -25.123 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.546 6.673 -25.002 1.00 0.00 C ATOM 0 H LEU B 699 -8.782 3.868 -28.296 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.655 5.790 -27.461 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.640 5.617 -27.658 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.379 7.161 -27.282 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.148 4.681 -25.728 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.387 5.263 -24.081 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.681 4.828 -25.656 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.791 6.537 -25.171 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.638 6.360 -23.962 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.084 7.660 -25.045 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.536 6.715 -25.457 1.00 0.00 H new ATOM 1692 N LEU B 700 -8.964 6.428 -30.252 1.00 0.00 N ATOM 1693 CA LEU B 700 -8.901 7.283 -31.420 1.00 0.00 C ATOM 1694 C LEU B 700 -10.244 7.295 -32.136 1.00 0.00 C ATOM 1695 O LEU B 700 -10.709 8.356 -32.548 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.771 6.762 -32.320 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.571 7.552 -33.622 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.278 9.031 -33.342 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.404 6.926 -34.386 1.00 0.00 C ATOM 0 H LEU B 700 -8.299 5.655 -30.276 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.688 8.315 -31.140 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -6.839 6.777 -31.755 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -7.975 5.721 -32.570 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.487 7.507 -34.211 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.142 9.560 -34.285 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.113 9.471 -32.797 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.370 9.115 -32.745 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.243 7.472 -35.316 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.502 6.975 -33.776 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.634 5.885 -34.612 1.00 0.00 H new ATOM 1711 N ALA B 701 -10.891 6.132 -32.230 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.244 6.042 -32.747 1.00 0.00 C ATOM 1713 C ALA B 701 -13.213 6.832 -31.851 1.00 0.00 C ATOM 1714 O ALA B 701 -14.055 7.547 -32.374 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.654 4.578 -32.888 1.00 0.00 C ATOM 0 H ALA B 701 -10.490 5.237 -31.951 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.284 6.491 -33.739 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.671 4.521 -33.277 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -11.974 4.074 -33.575 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.610 4.092 -31.913 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.068 6.773 -30.527 1.00 0.00 N ATOM 1722 CA GLU B 702 -13.840 7.589 -29.588 1.00 0.00 C ATOM 1723 C GLU B 702 -13.626 9.081 -29.893 1.00 0.00 C ATOM 1724 O GLU B 702 -14.570 9.833 -30.131 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.415 7.245 -28.141 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.556 7.070 -27.138 1.00 0.00 C ATOM 1727 CD GLU B 702 -15.237 5.696 -27.249 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.101 5.512 -28.140 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -14.898 4.813 -26.422 1.00 0.00 O ATOM 0 H GLU B 702 -12.403 6.149 -30.070 1.00 0.00 H new ATOM 0 HA GLU B 702 -14.903 7.374 -29.696 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -12.831 6.325 -28.163 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.755 8.033 -27.779 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.169 7.199 -26.127 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.298 7.853 -27.297 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.371 9.518 -29.949 1.00 0.00 N ATOM 1737 CA TRP B 703 -11.976 10.904 -30.061 1.00 0.00 C ATOM 1738 C TRP B 703 -12.424 11.492 -31.412 1.00 0.00 C ATOM 1739 O TRP B 703 -12.772 12.671 -31.484 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.450 10.948 -29.849 1.00 0.00 C ATOM 1741 CG TRP B 703 -9.875 10.372 -28.570 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.530 9.891 -27.487 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.475 10.314 -28.177 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.657 9.576 -26.468 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.379 9.900 -26.821 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.278 10.658 -28.813 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.204 9.959 -26.079 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.068 10.697 -28.091 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.037 10.398 -26.714 1.00 0.00 C ATOM 0 H TRP B 703 -11.574 8.883 -29.916 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.460 11.527 -29.309 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -9.985 10.425 -30.685 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.138 11.990 -29.912 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.602 9.769 -27.429 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -9.928 9.160 -25.577 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.281 10.896 -29.866 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.193 9.673 -25.038 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.152 10.960 -28.600 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.120 10.507 -26.154 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.497 10.671 -32.471 1.00 0.00 N ATOM 1761 CA LYS B 704 -12.921 11.114 -33.804 1.00 0.00 C ATOM 1762 C LYS B 704 -14.410 10.889 -34.079 1.00 0.00 C ATOM 1763 O LYS B 704 -14.943 11.535 -34.981 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.032 10.469 -34.888 1.00 0.00 C ATOM 1765 CG LYS B 704 -12.466 9.059 -35.319 1.00 0.00 C ATOM 1766 CD LYS B 704 -11.452 8.361 -36.242 1.00 0.00 C ATOM 1767 CE LYS B 704 -11.334 9.069 -37.602 1.00 0.00 C ATOM 1768 NZ LYS B 704 -10.441 8.346 -38.547 1.00 0.00 N ATOM 0 H LYS B 704 -12.263 9.679 -32.425 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.787 12.195 -33.837 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.025 11.116 -35.765 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -11.008 10.422 -34.518 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -12.618 8.447 -34.430 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -13.427 9.123 -35.830 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -10.476 8.339 -35.758 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -11.755 7.325 -36.397 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -12.325 9.164 -38.045 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -10.954 10.079 -37.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -10.396 8.864 -39.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -9.487 8.277 -38.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -10.815 7.390 -38.716 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.100 10.005 -33.341 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.530 9.746 -33.593 1.00 0.00 C ATOM 1784 C ARG B 705 -17.356 10.850 -32.944 1.00 0.00 C ATOM 1785 O ARG B 705 -18.369 11.279 -33.495 1.00 0.00 O ATOM 1786 CB ARG B 705 -16.989 8.334 -33.161 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.169 8.152 -31.642 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.103 6.709 -31.142 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.267 5.899 -31.534 1.00 0.00 N ATOM 1790 CZ ARG B 705 -18.736 4.839 -30.856 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -18.173 4.444 -29.715 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -19.783 4.172 -31.336 1.00 0.00 N ATOM 0 H ARG B 705 -14.700 9.463 -32.575 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.691 9.762 -34.671 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -17.934 8.107 -33.655 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.260 7.605 -33.517 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.401 8.731 -31.130 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -18.132 8.575 -31.354 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.198 6.240 -31.527 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -17.022 6.713 -30.055 1.00 0.00 H new ATOM 0 HE ARG B 705 -18.757 6.164 -32.389 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -17.370 4.950 -29.341 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -18.545 3.636 -29.216 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -20.219 4.468 -32.209 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -20.149 3.365 -30.831 1.00 0.00 H new ATOM 1806 N THR B 706 -16.891 11.327 -31.790 1.00 0.00 N ATOM 1807 CA THR B 706 -17.409 12.511 -31.129 1.00 0.00 C ATOM 1808 C THR B 706 -17.087 13.733 -32.000 1.00 0.00 C ATOM 1809 O THR B 706 -17.920 14.621 -32.192 1.00 0.00 O ATOM 1810 CB THR B 706 -16.760 12.580 -29.745 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.357 12.548 -29.898 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.137 11.357 -28.911 1.00 0.00 C ATOM 0 H THR B 706 -16.125 10.886 -31.281 1.00 0.00 H new ATOM 0 HA THR B 706 -18.491 12.483 -31.000 1.00 0.00 H new ATOM 0 HB THR B 706 -17.099 13.492 -29.254 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.042 11.622 -29.835 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.665 11.426 -27.931 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.220 11.318 -28.791 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.795 10.453 -29.416 1.00 0.00 H new ATOM 1820 N GLY B 707 -15.882 13.725 -32.578 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.413 14.640 -33.607 1.00 0.00 C ATOM 1822 C GLY B 707 -14.403 15.611 -33.013 1.00 0.00 C ATOM 1823 O GLY B 707 -13.323 15.815 -33.569 1.00 0.00 O ATOM 0 H GLY B 707 -15.172 13.039 -32.321 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -14.956 14.080 -34.423 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.255 15.189 -34.029 1.00 0.00 H new ATOM 1827 N SER B 708 -14.718 16.137 -31.832 1.00 0.00 N ATOM 1828 CA SER B 708 -13.895 17.095 -31.106 1.00 0.00 C ATOM 1829 C SER B 708 -13.539 16.543 -29.716 1.00 0.00 C ATOM 1830 O SER B 708 -13.259 17.321 -28.808 1.00 0.00 O ATOM 1831 CB SER B 708 -14.636 18.438 -31.056 1.00 0.00 C ATOM 1832 OG SER B 708 -14.943 18.875 -32.375 1.00 0.00 O ATOM 0 H SER B 708 -15.580 15.900 -31.341 1.00 0.00 H new ATOM 0 HA SER B 708 -12.946 17.260 -31.616 1.00 0.00 H new ATOM 0 HB2 SER B 708 -15.553 18.335 -30.476 1.00 0.00 H new ATOM 0 HB3 SER B 708 -14.021 19.183 -30.551 1.00 0.00 H new ATOM 0 HG SER B 708 -15.417 19.732 -32.334 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.599 15.207 -29.552 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.250 14.448 -28.343 1.00 0.00 C ATOM 1840 C ASP B 709 -13.981 14.888 -27.057 1.00 0.00 C ATOM 1841 O ASP B 709 -13.628 14.461 -25.953 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.729 14.339 -28.182 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.986 15.605 -27.672 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.369 16.237 -26.655 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.940 15.928 -28.289 1.00 0.00 O ATOM 0 H ASP B 709 -13.911 14.596 -30.307 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.637 13.441 -28.502 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.518 13.521 -27.493 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.304 14.061 -29.147 1.00 0.00 H new ATOM 1850 N PHE B 710 -15.065 15.659 -27.217 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.831 16.392 -26.219 1.00 0.00 C ATOM 1852 C PHE B 710 -14.986 17.383 -25.409 1.00 0.00 C ATOM 1853 O PHE B 710 -15.227 18.592 -25.491 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.583 15.423 -25.304 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.629 14.544 -25.960 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.683 15.097 -26.713 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.572 13.156 -25.758 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.681 14.262 -27.246 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.574 12.325 -26.279 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.628 12.875 -27.021 1.00 0.00 C ATOM 0 H PHE B 710 -15.462 15.794 -28.147 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.555 16.998 -26.764 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.852 14.777 -24.817 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -17.069 16.003 -24.519 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.725 16.163 -26.881 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.753 12.727 -25.199 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.487 14.685 -27.827 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.533 11.259 -26.108 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.400 12.233 -27.420 1.00 0.00 H new