USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 55 THR OG1 : rot 123:sc= 0.979 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.868 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -106:sc= 0.27 (180deg=0) USER MOD Set 2.2: B 686 GLN : amide:sc= 0.262 K(o=0.53,f=-0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0177 (180deg=-0.0177) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.757 (180deg=0.743) USER MOD Single : A 2 GLN : amide:sc= 0.644 K(o=0.64,f=-5.3!) USER MOD Single : A 7 THR OG1 : rot -72:sc= -0.761 USER MOD Single : A 9 THR OG1 : rot -20:sc= 0.109 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0.969 (180deg=0.774) 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= 0.0976 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00795 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0.971 (180deg=0.907) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.924 (180deg=0.913) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.931 (180deg=0.779) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0.424 K(o=0.42,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.0329 USER MOD Single : A 60 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.407 K(o=-0.41,f=-2.1!) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.11) USER MOD Single : B 697 LYS NZ :NH3+ -157:sc= 1.34 (180deg=0.681) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.497 -1.930 -3.408 1.00 0.00 N ATOM 2 CA MET A 1 4.746 -1.959 -4.885 1.00 0.00 C ATOM 3 C MET A 1 4.496 -0.591 -5.519 1.00 0.00 C ATOM 4 O MET A 1 3.925 0.274 -4.868 1.00 0.00 O ATOM 5 CB MET A 1 3.930 -3.045 -5.629 1.00 0.00 C ATOM 6 CG MET A 1 2.406 -2.878 -5.781 1.00 0.00 C ATOM 7 SD MET A 1 1.670 -4.336 -6.568 1.00 0.00 S ATOM 8 CE MET A 1 0.199 -3.683 -7.403 1.00 0.00 C ATOM 0 H1 MET A 1 4.609 -2.888 -3.018 1.00 0.00 H new ATOM 0 H2 MET A 1 5.178 -1.289 -2.954 1.00 0.00 H new ATOM 0 H3 MET A 1 3.530 -1.593 -3.225 1.00 0.00 H new ATOM 0 HA MET A 1 5.798 -2.221 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.350 -3.140 -6.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.105 -3.992 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.954 -2.721 -4.802 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.191 -1.991 -6.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.320 -4.494 -7.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.467 -3.232 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.498 -2.929 -8.131 1.00 0.00 H new ATOM 20 N GLN A 2 4.811 -0.402 -6.805 1.00 0.00 N ATOM 21 CA GLN A 2 4.519 0.819 -7.550 1.00 0.00 C ATOM 22 C GLN A 2 3.730 0.470 -8.801 1.00 0.00 C ATOM 23 O GLN A 2 3.852 -0.642 -9.308 1.00 0.00 O ATOM 24 CB GLN A 2 5.831 1.576 -7.845 1.00 0.00 C ATOM 25 CG GLN A 2 6.656 1.149 -9.086 1.00 0.00 C ATOM 26 CD GLN A 2 7.341 -0.221 -9.002 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.732 -1.226 -8.646 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.612 -0.315 -9.363 1.00 0.00 N ATOM 0 H GLN A 2 5.286 -1.110 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 2 3.897 1.493 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.589 2.633 -7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.474 1.484 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.996 1.150 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.421 1.905 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.121 0.518 -9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.082 -1.220 -9.345 1.00 0.00 H new ATOM 37 N ILE A 3 2.955 1.415 -9.326 1.00 0.00 N ATOM 38 CA ILE A 3 2.260 1.255 -10.615 1.00 0.00 C ATOM 39 C ILE A 3 2.296 2.568 -11.365 1.00 0.00 C ATOM 40 O ILE A 3 2.448 3.613 -10.745 1.00 0.00 O ATOM 41 CB ILE A 3 0.811 0.773 -10.407 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.090 1.699 -9.406 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.810 -0.707 -9.965 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.413 1.746 -9.627 1.00 0.00 C ATOM 0 H ILE A 3 2.786 2.315 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 3 2.770 0.493 -11.205 1.00 0.00 H new ATOM 0 HB ILE A 3 0.258 0.826 -11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.293 1.358 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.497 2.706 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.217 -1.043 -9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.285 -1.317 -10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.361 -0.808 -9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.868 2.413 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.622 2.114 -10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.829 0.745 -9.514 1.00 0.00 H new ATOM 56 N PHE A 4 2.138 2.504 -12.682 1.00 0.00 N ATOM 57 CA PHE A 4 2.326 3.626 -13.585 1.00 0.00 C ATOM 58 C PHE A 4 0.976 4.012 -14.163 1.00 0.00 C ATOM 59 O PHE A 4 0.480 3.380 -15.085 1.00 0.00 O ATOM 60 CB PHE A 4 3.327 3.261 -14.689 1.00 0.00 C ATOM 61 CG PHE A 4 4.501 2.420 -14.245 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.329 2.898 -13.222 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.755 1.165 -14.820 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.392 2.118 -12.749 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.873 0.428 -14.402 1.00 0.00 C ATOM 66 CZ PHE A 4 6.692 0.899 -13.368 1.00 0.00 C ATOM 0 H PHE A 4 1.868 1.645 -13.161 1.00 0.00 H new ATOM 0 HA PHE A 4 2.739 4.478 -13.046 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.795 2.726 -15.476 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.708 4.182 -15.130 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.147 3.873 -12.795 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.095 0.770 -15.578 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.979 2.457 -11.908 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.104 -0.511 -14.882 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.550 0.325 -13.050 1.00 0.00 H new ATOM 76 N VAL A 5 0.321 5.019 -13.616 1.00 0.00 N ATOM 77 CA VAL A 5 -0.983 5.439 -14.119 1.00 0.00 C ATOM 78 C VAL A 5 -0.728 6.450 -15.229 1.00 0.00 C ATOM 79 O VAL A 5 -0.356 7.587 -14.962 1.00 0.00 O ATOM 80 CB VAL A 5 -1.873 5.925 -12.966 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.279 6.256 -13.473 1.00 0.00 C ATOM 82 CG2 VAL A 5 -1.978 4.839 -11.889 1.00 0.00 C ATOM 0 H VAL A 5 0.666 5.563 -12.825 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.553 4.618 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.421 6.823 -12.545 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.894 6.599 -12.641 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.219 7.041 -14.227 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.727 5.365 -13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.611 5.193 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.413 3.938 -12.322 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.984 4.612 -11.503 1.00 0.00 H new ATOM 92 N LYS A 6 -0.868 6.042 -16.489 1.00 0.00 N ATOM 93 CA LYS A 6 -0.837 6.973 -17.608 1.00 0.00 C ATOM 94 C LYS A 6 -2.082 7.824 -17.512 1.00 0.00 C ATOM 95 O LYS A 6 -3.184 7.288 -17.452 1.00 0.00 O ATOM 96 CB LYS A 6 -0.792 6.214 -18.941 1.00 0.00 C ATOM 97 CG LYS A 6 -0.244 7.143 -20.040 1.00 0.00 C ATOM 98 CD LYS A 6 -0.442 6.549 -21.442 1.00 0.00 C ATOM 99 CE LYS A 6 0.629 7.103 -22.408 1.00 0.00 C ATOM 100 NZ LYS A 6 0.763 6.298 -23.661 1.00 0.00 N ATOM 0 H LYS A 6 -1.004 5.068 -16.758 1.00 0.00 H new ATOM 0 HA LYS A 6 0.055 7.597 -17.568 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.160 5.330 -18.848 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.790 5.866 -19.208 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.744 8.110 -19.981 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.817 7.322 -19.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.376 5.462 -21.398 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.438 6.793 -21.812 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.377 8.131 -22.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.591 7.131 -21.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.640 5.741 -23.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.051 5.657 -23.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.793 6.936 -24.482 1.00 0.00 H new ATOM 114 N THR A 7 -1.944 9.135 -17.493 1.00 0.00 N ATOM 115 CA THR A 7 -3.105 9.970 -17.628 1.00 0.00 C ATOM 116 C THR A 7 -3.467 10.104 -19.078 1.00 0.00 C ATOM 117 O THR A 7 -2.651 9.856 -19.969 1.00 0.00 O ATOM 118 CB THR A 7 -2.916 11.320 -16.991 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.829 11.948 -17.638 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.632 11.229 -15.509 1.00 0.00 C ATOM 0 H THR A 7 -1.058 9.630 -17.388 1.00 0.00 H new ATOM 0 HA THR A 7 -3.926 9.490 -17.096 1.00 0.00 H new ATOM 0 HB THR A 7 -3.839 11.889 -17.101 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.993 11.515 -17.367 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.504 12.232 -15.101 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.466 10.737 -15.008 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.721 10.653 -15.348 1.00 0.00 H new ATOM 128 N LEU A 8 -4.684 10.568 -19.311 1.00 0.00 N ATOM 129 CA LEU A 8 -5.113 10.788 -20.675 1.00 0.00 C ATOM 130 C LEU A 8 -4.245 11.829 -21.387 1.00 0.00 C ATOM 131 O LEU A 8 -4.260 11.809 -22.608 1.00 0.00 O ATOM 132 CB LEU A 8 -6.610 11.095 -20.823 1.00 0.00 C ATOM 133 CG LEU A 8 -7.596 9.970 -20.471 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.963 10.201 -21.105 1.00 0.00 C ATOM 135 CD2 LEU A 8 -7.089 8.594 -20.917 1.00 0.00 C ATOM 0 H LEU A 8 -5.373 10.793 -18.593 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.966 9.831 -21.176 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.842 11.956 -20.196 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.793 11.394 -21.855 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.684 9.986 -19.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.633 9.385 -20.833 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.376 11.144 -20.746 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.859 10.240 -22.189 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.820 7.832 -20.646 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.945 8.592 -21.998 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.141 8.379 -20.425 1.00 0.00 H new ATOM 147 N THR A 9 -3.467 12.688 -20.706 1.00 0.00 N ATOM 148 CA THR A 9 -2.665 13.705 -21.385 1.00 0.00 C ATOM 149 C THR A 9 -1.406 13.059 -21.990 1.00 0.00 C ATOM 150 O THR A 9 -0.686 13.681 -22.775 1.00 0.00 O ATOM 151 CB THR A 9 -2.352 14.918 -20.482 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.691 15.962 -21.167 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.601 14.611 -19.191 1.00 0.00 C ATOM 0 H THR A 9 -3.381 12.694 -19.690 1.00 0.00 H new ATOM 0 HA THR A 9 -3.255 14.117 -22.204 1.00 0.00 H new ATOM 0 HB THR A 9 -3.350 15.244 -20.188 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.274 15.607 -21.980 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.436 15.535 -18.637 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.189 13.924 -18.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.640 14.154 -19.429 1.00 0.00 H new ATOM 161 N GLY A 10 -1.115 11.809 -21.611 1.00 0.00 N ATOM 162 CA GLY A 10 0.140 11.176 -21.938 1.00 0.00 C ATOM 163 C GLY A 10 1.189 11.429 -20.864 1.00 0.00 C ATOM 164 O GLY A 10 2.365 11.552 -21.209 1.00 0.00 O ATOM 0 H GLY A 10 -1.750 11.221 -21.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.012 10.103 -22.054 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.500 11.552 -22.896 1.00 0.00 H new ATOM 168 N LYS A 11 0.796 11.511 -19.580 1.00 0.00 N ATOM 169 CA LYS A 11 1.780 11.633 -18.501 1.00 0.00 C ATOM 170 C LYS A 11 1.635 10.421 -17.625 1.00 0.00 C ATOM 171 O LYS A 11 0.573 10.222 -17.055 1.00 0.00 O ATOM 172 CB LYS A 11 1.573 12.950 -17.737 1.00 0.00 C ATOM 173 CG LYS A 11 2.505 13.072 -16.514 1.00 0.00 C ATOM 174 CD LYS A 11 1.931 12.591 -15.168 1.00 0.00 C ATOM 175 CE LYS A 11 0.620 13.256 -14.729 1.00 0.00 C ATOM 176 NZ LYS A 11 0.774 14.673 -14.299 1.00 0.00 N ATOM 0 H LYS A 11 -0.177 11.495 -19.273 1.00 0.00 H new ATOM 0 HA LYS A 11 2.798 11.670 -18.889 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.749 13.789 -18.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.536 13.017 -17.408 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.415 12.508 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.796 14.117 -16.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.769 11.515 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.680 12.759 -14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.091 13.213 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.191 12.682 -13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.079 14.975 -13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.602 14.759 -13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.906 15.277 -15.135 1.00 0.00 H new ATOM 190 N THR A 12 2.677 9.634 -17.468 1.00 0.00 N ATOM 191 CA THR A 12 2.632 8.513 -16.550 1.00 0.00 C ATOM 192 C THR A 12 3.017 9.008 -15.166 1.00 0.00 C ATOM 193 O THR A 12 4.117 9.519 -14.955 1.00 0.00 O ATOM 194 CB THR A 12 3.495 7.354 -17.073 1.00 0.00 C ATOM 195 OG1 THR A 12 3.748 7.466 -18.467 1.00 0.00 O ATOM 196 CG2 THR A 12 2.713 6.062 -16.845 1.00 0.00 C ATOM 0 H THR A 12 3.563 9.747 -17.961 1.00 0.00 H new ATOM 0 HA THR A 12 1.625 8.102 -16.475 1.00 0.00 H new ATOM 0 HB THR A 12 4.451 7.368 -16.549 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.301 6.712 -18.761 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.297 5.215 -17.205 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.515 5.940 -15.780 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.768 6.108 -17.387 1.00 0.00 H new ATOM 204 N ILE A 13 2.068 8.883 -14.234 1.00 0.00 N ATOM 205 CA ILE A 13 2.292 9.140 -12.825 1.00 0.00 C ATOM 206 C ILE A 13 2.481 7.796 -12.162 1.00 0.00 C ATOM 207 O ILE A 13 1.567 6.977 -12.133 1.00 0.00 O ATOM 208 CB ILE A 13 1.186 10.029 -12.209 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.030 9.873 -10.677 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.201 10.009 -12.854 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.234 9.183 -10.137 1.00 0.00 C ATOM 0 H ILE A 13 1.113 8.596 -14.449 1.00 0.00 H new ATOM 0 HA ILE A 13 3.191 9.735 -12.662 1.00 0.00 H new ATOM 0 HB ILE A 13 1.602 11.007 -12.450 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.894 9.318 -10.310 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.079 10.868 -10.235 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.865 10.682 -12.311 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.125 10.335 -13.891 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.603 8.997 -12.820 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.194 9.151 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.116 9.741 -10.452 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.289 8.167 -10.528 1.00 0.00 H new ATOM 223 N THR A 14 3.666 7.573 -11.623 1.00 0.00 N ATOM 224 CA THR A 14 3.943 6.387 -10.843 1.00 0.00 C ATOM 225 C THR A 14 3.437 6.653 -9.428 1.00 0.00 C ATOM 226 O THR A 14 3.561 7.773 -8.926 1.00 0.00 O ATOM 227 CB THR A 14 5.445 6.100 -10.866 1.00 0.00 C ATOM 228 OG1 THR A 14 5.911 6.148 -12.208 1.00 0.00 O ATOM 229 CG2 THR A 14 5.777 4.728 -10.244 1.00 0.00 C ATOM 0 H THR A 14 4.459 8.208 -11.715 1.00 0.00 H new ATOM 0 HA THR A 14 3.443 5.508 -11.249 1.00 0.00 H new ATOM 0 HB THR A 14 5.945 6.861 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.874 5.966 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.854 4.563 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.441 4.708 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.271 3.942 -10.805 1.00 0.00 H new ATOM 237 N LEU A 15 2.888 5.632 -8.773 1.00 0.00 N ATOM 238 CA LEU A 15 2.482 5.736 -7.383 1.00 0.00 C ATOM 239 C LEU A 15 2.716 4.432 -6.677 1.00 0.00 C ATOM 240 O LEU A 15 2.733 3.396 -7.328 1.00 0.00 O ATOM 241 CB LEU A 15 1.018 6.174 -7.262 1.00 0.00 C ATOM 242 CG LEU A 15 -0.061 5.189 -7.732 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.279 5.270 -6.821 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.521 5.519 -9.128 1.00 0.00 C ATOM 0 H LEU A 15 2.715 4.718 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 15 3.091 6.503 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.824 6.411 -6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.897 7.099 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 15 0.378 4.191 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.038 4.567 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.988 5.020 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.685 6.281 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.285 4.806 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.936 6.527 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.325 5.463 -9.813 1.00 0.00 H new ATOM 256 N GLU A 16 2.826 4.477 -5.356 1.00 0.00 N ATOM 257 CA GLU A 16 3.060 3.294 -4.555 1.00 0.00 C ATOM 258 C GLU A 16 1.745 2.851 -3.932 1.00 0.00 C ATOM 259 O GLU A 16 0.974 3.652 -3.394 1.00 0.00 O ATOM 260 CB GLU A 16 4.158 3.534 -3.512 1.00 0.00 C ATOM 261 CG GLU A 16 5.540 3.455 -4.170 1.00 0.00 C ATOM 262 CD GLU A 16 6.672 3.606 -3.135 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.097 4.752 -2.855 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.153 2.575 -2.603 1.00 0.00 O ATOM 0 H GLU A 16 2.755 5.338 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 16 3.427 2.487 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.023 4.512 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.083 2.792 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.644 2.501 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.629 4.237 -4.924 1.00 0.00 H new ATOM 271 N VAL A 17 1.498 1.557 -4.072 1.00 0.00 N ATOM 272 CA VAL A 17 0.249 0.868 -3.768 1.00 0.00 C ATOM 273 C VAL A 17 0.566 -0.542 -3.249 1.00 0.00 C ATOM 274 O VAL A 17 1.725 -0.941 -3.112 1.00 0.00 O ATOM 275 CB VAL A 17 -0.629 0.803 -5.043 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.973 2.181 -5.611 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.046 -0.024 -6.151 1.00 0.00 C ATOM 0 H VAL A 17 2.210 0.917 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.302 1.409 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.554 0.323 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.589 2.064 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.521 2.756 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.054 2.707 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.598 -0.048 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.001 0.430 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.213 -1.041 -5.796 1.00 0.00 H new ATOM 287 N GLU A 18 -0.480 -1.343 -3.097 1.00 0.00 N ATOM 288 CA GLU A 18 -0.467 -2.769 -2.833 1.00 0.00 C ATOM 289 C GLU A 18 -1.345 -3.371 -3.931 1.00 0.00 C ATOM 290 O GLU A 18 -2.225 -2.663 -4.428 1.00 0.00 O ATOM 291 CB GLU A 18 -1.130 -3.083 -1.477 1.00 0.00 C ATOM 292 CG GLU A 18 -0.466 -2.472 -0.241 1.00 0.00 C ATOM 293 CD GLU A 18 -0.680 -0.950 -0.092 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.846 -0.510 0.041 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.320 -0.194 -0.053 1.00 0.00 O ATOM 0 H GLU A 18 -1.431 -0.981 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 18 0.551 -3.157 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.164 -2.741 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.157 -4.165 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.852 -2.970 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.604 -2.675 -0.280 1.00 0.00 H new ATOM 302 N PRO A 19 -1.205 -4.655 -4.300 1.00 0.00 N ATOM 303 CA PRO A 19 -2.179 -5.297 -5.178 1.00 0.00 C ATOM 304 C PRO A 19 -3.596 -5.168 -4.596 1.00 0.00 C ATOM 305 O PRO A 19 -4.551 -4.905 -5.312 1.00 0.00 O ATOM 306 CB PRO A 19 -1.735 -6.761 -5.314 1.00 0.00 C ATOM 307 CG PRO A 19 -0.279 -6.786 -4.838 1.00 0.00 C ATOM 308 CD PRO A 19 -0.145 -5.570 -3.916 1.00 0.00 C ATOM 0 HA PRO A 19 -2.217 -4.824 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.358 -7.419 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.818 -7.103 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.053 -7.711 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.413 -6.723 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.242 -5.861 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.833 -5.102 -4.028 1.00 0.00 H new ATOM 316 N SER A 20 -3.727 -5.264 -3.276 1.00 0.00 N ATOM 317 CA SER A 20 -4.978 -5.235 -2.544 1.00 0.00 C ATOM 318 C SER A 20 -5.403 -3.804 -2.254 1.00 0.00 C ATOM 319 O SER A 20 -6.406 -3.594 -1.566 1.00 0.00 O ATOM 320 CB SER A 20 -4.789 -6.065 -1.264 1.00 0.00 C ATOM 321 OG SER A 20 -3.528 -5.784 -0.660 1.00 0.00 O ATOM 0 H SER A 20 -2.919 -5.369 -2.662 1.00 0.00 H new ATOM 0 HA SER A 20 -5.784 -5.670 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.592 -5.844 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.855 -7.127 -1.501 1.00 0.00 H new ATOM 0 HG SER A 20 -3.428 -6.321 0.154 1.00 0.00 H new ATOM 327 N ASP A 21 -4.664 -2.819 -2.771 1.00 0.00 N ATOM 328 CA ASP A 21 -5.107 -1.457 -2.674 1.00 0.00 C ATOM 329 C ASP A 21 -6.345 -1.302 -3.548 1.00 0.00 C ATOM 330 O ASP A 21 -6.387 -1.778 -4.693 1.00 0.00 O ATOM 331 CB ASP A 21 -4.029 -0.451 -3.077 1.00 0.00 C ATOM 332 CG ASP A 21 -4.316 0.952 -2.523 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.210 1.097 -1.659 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.602 1.899 -2.924 1.00 0.00 O ATOM 0 H ASP A 21 -3.773 -2.951 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.339 -1.239 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.060 -0.793 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.964 -0.405 -4.164 1.00 0.00 H new ATOM 339 N THR A 22 -7.380 -0.692 -2.984 1.00 0.00 N ATOM 340 CA THR A 22 -8.627 -0.483 -3.684 1.00 0.00 C ATOM 341 C THR A 22 -8.472 0.621 -4.704 1.00 0.00 C ATOM 342 O THR A 22 -7.778 1.618 -4.485 1.00 0.00 O ATOM 343 CB THR A 22 -9.815 -0.153 -2.771 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.430 0.776 -1.768 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.374 -1.413 -2.129 1.00 0.00 C ATOM 0 H THR A 22 -7.372 -0.331 -2.030 1.00 0.00 H new ATOM 0 HA THR A 22 -8.854 -1.435 -4.164 1.00 0.00 H new ATOM 0 HB THR A 22 -10.596 0.296 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.200 0.977 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.215 -1.152 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.710 -2.099 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.598 -1.893 -1.533 1.00 0.00 H new ATOM 353 N ILE A 23 -9.198 0.466 -5.804 1.00 0.00 N ATOM 354 CA ILE A 23 -9.359 1.515 -6.800 1.00 0.00 C ATOM 355 C ILE A 23 -9.747 2.844 -6.143 1.00 0.00 C ATOM 356 O ILE A 23 -9.163 3.855 -6.518 1.00 0.00 O ATOM 357 CB ILE A 23 -10.408 1.098 -7.836 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.136 -0.271 -8.488 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.554 2.148 -8.949 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.674 -0.648 -8.731 1.00 0.00 C ATOM 0 H ILE A 23 -9.694 -0.396 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.404 1.660 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.334 1.017 -7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.584 -1.040 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.656 -0.299 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.307 1.817 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.860 3.099 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.599 2.273 -9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.624 -1.634 -9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.214 0.087 -9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.140 -0.666 -7.781 1.00 0.00 H new ATOM 372 N GLU A 24 -10.661 2.873 -5.169 1.00 0.00 N ATOM 373 CA GLU A 24 -11.059 4.129 -4.526 1.00 0.00 C ATOM 374 C GLU A 24 -9.851 4.832 -3.902 1.00 0.00 C ATOM 375 O GLU A 24 -9.644 6.032 -4.095 1.00 0.00 O ATOM 376 CB GLU A 24 -12.123 3.844 -3.451 1.00 0.00 C ATOM 377 CG GLU A 24 -12.731 5.130 -2.878 1.00 0.00 C ATOM 378 CD GLU A 24 -13.830 4.815 -1.846 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.497 4.581 -0.659 1.00 0.00 O ATOM 380 OE2 GLU A 24 -15.033 4.810 -2.210 1.00 0.00 O ATOM 0 H GLU A 24 -11.137 2.046 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.478 4.791 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.915 3.230 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.674 3.266 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.949 5.728 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.149 5.729 -3.687 1.00 0.00 H new ATOM 387 N ASN A 25 -9.019 4.073 -3.189 1.00 0.00 N ATOM 388 CA ASN A 25 -7.884 4.652 -2.483 1.00 0.00 C ATOM 389 C ASN A 25 -6.768 5.017 -3.462 1.00 0.00 C ATOM 390 O ASN A 25 -6.111 6.041 -3.310 1.00 0.00 O ATOM 391 CB ASN A 25 -7.389 3.681 -1.417 1.00 0.00 C ATOM 392 CG ASN A 25 -6.261 4.284 -0.586 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.365 5.398 -0.081 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.175 3.557 -0.413 1.00 0.00 N ATOM 0 H ASN A 25 -9.111 3.062 -3.087 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.202 5.571 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.216 3.406 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.041 2.764 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.404 3.918 0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.106 2.633 -0.840 1.00 0.00 H new ATOM 401 N VAL A 26 -6.612 4.248 -4.535 1.00 0.00 N ATOM 402 CA VAL A 26 -5.737 4.571 -5.648 1.00 0.00 C ATOM 403 C VAL A 26 -6.183 5.892 -6.281 1.00 0.00 C ATOM 404 O VAL A 26 -5.353 6.784 -6.424 1.00 0.00 O ATOM 405 CB VAL A 26 -5.764 3.375 -6.606 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.177 3.722 -7.970 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.032 2.158 -6.019 1.00 0.00 C ATOM 0 H VAL A 26 -7.104 3.362 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.704 4.730 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.814 3.117 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.216 2.845 -8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.754 4.531 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.141 4.038 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.074 1.331 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.991 2.418 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.511 1.860 -5.086 1.00 0.00 H new ATOM 417 N LYS A 27 -7.464 6.082 -6.614 1.00 0.00 N ATOM 418 CA LYS A 27 -7.949 7.371 -7.129 1.00 0.00 C ATOM 419 C LYS A 27 -7.637 8.498 -6.151 1.00 0.00 C ATOM 420 O LYS A 27 -7.309 9.592 -6.604 1.00 0.00 O ATOM 421 CB LYS A 27 -9.477 7.377 -7.385 1.00 0.00 C ATOM 422 CG LYS A 27 -10.071 6.523 -8.516 1.00 0.00 C ATOM 423 CD LYS A 27 -11.578 6.836 -8.594 1.00 0.00 C ATOM 424 CE LYS A 27 -12.406 5.821 -9.387 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.847 6.224 -9.405 1.00 0.00 N ATOM 0 H LYS A 27 -8.183 5.363 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.431 7.524 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.962 7.070 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.770 8.410 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.583 6.750 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.910 5.463 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.975 6.895 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.707 7.820 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.028 5.752 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.304 4.831 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.406 5.492 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.189 6.333 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.949 7.127 -9.911 1.00 0.00 H new ATOM 439 N ALA A 28 -7.699 8.263 -4.839 1.00 0.00 N ATOM 440 CA ALA A 28 -7.348 9.283 -3.852 1.00 0.00 C ATOM 441 C ALA A 28 -5.846 9.587 -3.914 1.00 0.00 C ATOM 442 O ALA A 28 -5.451 10.741 -3.795 1.00 0.00 O ATOM 443 CB ALA A 28 -7.779 8.851 -2.448 1.00 0.00 C ATOM 0 H ALA A 28 -7.990 7.372 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.886 10.201 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.508 9.625 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.858 8.700 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.278 7.920 -2.184 1.00 0.00 H new ATOM 449 N LYS A 29 -4.987 8.595 -4.183 1.00 0.00 N ATOM 450 CA LYS A 29 -3.573 8.873 -4.447 1.00 0.00 C ATOM 451 C LYS A 29 -3.430 9.652 -5.748 1.00 0.00 C ATOM 452 O LYS A 29 -2.593 10.534 -5.844 1.00 0.00 O ATOM 453 CB LYS A 29 -2.763 7.579 -4.493 1.00 0.00 C ATOM 454 CG LYS A 29 -2.709 6.928 -3.107 1.00 0.00 C ATOM 455 CD LYS A 29 -2.066 5.546 -3.210 1.00 0.00 C ATOM 456 CE LYS A 29 -1.932 4.911 -1.818 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.536 4.954 -1.296 1.00 0.00 N ATOM 0 H LYS A 29 -5.243 7.608 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.179 9.481 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.210 6.889 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.752 7.789 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.138 7.555 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.715 6.842 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.669 4.905 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.083 5.629 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.592 5.429 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.267 3.875 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.490 4.453 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.103 4.496 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.246 5.944 -1.161 1.00 0.00 H new ATOM 471 N ILE A 30 -4.271 9.409 -6.751 1.00 0.00 N ATOM 472 CA ILE A 30 -4.212 10.203 -7.978 1.00 0.00 C ATOM 473 C ILE A 30 -4.591 11.642 -7.666 1.00 0.00 C ATOM 474 O ILE A 30 -3.977 12.540 -8.191 1.00 0.00 O ATOM 475 CB ILE A 30 -5.090 9.632 -9.105 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.914 8.135 -9.423 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.785 10.427 -10.381 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.511 7.599 -9.226 1.00 0.00 C ATOM 0 H ILE A 30 -4.988 8.684 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.188 10.164 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.116 9.728 -8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.597 7.563 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.211 7.961 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.393 10.046 -11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.015 11.480 -10.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.730 10.321 -10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.489 6.538 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.821 8.139 -9.875 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.213 7.734 -8.186 1.00 0.00 H new ATOM 490 N GLN A 31 -5.550 11.892 -6.794 1.00 0.00 N ATOM 491 CA GLN A 31 -5.916 13.224 -6.313 1.00 0.00 C ATOM 492 C GLN A 31 -4.705 13.900 -5.666 1.00 0.00 C ATOM 493 O GLN A 31 -4.487 15.084 -5.880 1.00 0.00 O ATOM 494 CB GLN A 31 -7.089 13.154 -5.324 1.00 0.00 C ATOM 495 CG GLN A 31 -7.694 14.521 -4.933 1.00 0.00 C ATOM 496 CD GLN A 31 -8.002 14.575 -3.434 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.154 14.951 -2.630 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.202 14.188 -3.019 1.00 0.00 N ATOM 0 H GLN A 31 -6.119 11.152 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.238 13.820 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.875 12.536 -5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.752 12.650 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.999 15.319 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.607 14.695 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.900 13.877 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.426 14.201 -2.024 1.00 0.00 H new ATOM 507 N ASP A 32 -3.883 13.145 -4.942 1.00 0.00 N ATOM 508 CA ASP A 32 -2.631 13.673 -4.408 1.00 0.00 C ATOM 509 C ASP A 32 -1.680 14.088 -5.539 1.00 0.00 C ATOM 510 O ASP A 32 -0.994 15.108 -5.418 1.00 0.00 O ATOM 511 CB ASP A 32 -1.953 12.671 -3.469 1.00 0.00 C ATOM 512 CG ASP A 32 -0.532 13.138 -3.100 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.388 13.917 -2.128 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.444 12.716 -3.772 1.00 0.00 O ATOM 0 H ASP A 32 -4.061 12.167 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.875 14.561 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.549 12.555 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.906 11.693 -3.947 1.00 0.00 H new ATOM 519 N LYS A 33 -1.648 13.338 -6.653 1.00 0.00 N ATOM 520 CA LYS A 33 -0.628 13.536 -7.673 1.00 0.00 C ATOM 521 C LYS A 33 -1.081 14.501 -8.779 1.00 0.00 C ATOM 522 O LYS A 33 -0.263 15.219 -9.353 1.00 0.00 O ATOM 523 CB LYS A 33 -0.235 12.164 -8.223 1.00 0.00 C ATOM 524 CG LYS A 33 0.117 11.105 -7.138 1.00 0.00 C ATOM 525 CD LYS A 33 1.582 10.637 -7.114 1.00 0.00 C ATOM 526 CE LYS A 33 2.597 11.770 -6.900 1.00 0.00 C ATOM 527 NZ LYS A 33 2.651 12.234 -5.478 1.00 0.00 N ATOM 0 H LYS A 33 -2.316 12.596 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 33 0.244 14.014 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.056 11.783 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.623 12.285 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.129 11.518 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.521 10.234 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.704 9.899 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.807 10.134 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.586 11.429 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.338 12.611 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.101 13.171 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.686 12.296 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.204 11.558 -4.913 1.00 0.00 H new ATOM 541 N GLU A 34 -2.390 14.556 -9.017 1.00 0.00 N ATOM 542 CA GLU A 34 -3.036 15.214 -10.145 1.00 0.00 C ATOM 543 C GLU A 34 -4.028 16.301 -9.722 1.00 0.00 C ATOM 544 O GLU A 34 -4.163 17.312 -10.412 1.00 0.00 O ATOM 545 CB GLU A 34 -3.788 14.136 -10.947 1.00 0.00 C ATOM 546 CG GLU A 34 -2.857 13.070 -11.543 1.00 0.00 C ATOM 547 CD GLU A 34 -1.619 13.671 -12.229 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.760 14.529 -13.132 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.488 13.282 -11.864 1.00 0.00 O ATOM 0 H GLU A 34 -3.064 14.117 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.264 15.707 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.517 13.651 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.346 14.614 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.535 12.393 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.413 12.473 -12.266 1.00 0.00 H new ATOM 556 N GLY A 35 -4.720 16.099 -8.597 1.00 0.00 N ATOM 557 CA GLY A 35 -5.610 17.085 -7.987 1.00 0.00 C ATOM 558 C GLY A 35 -7.084 16.767 -8.220 1.00 0.00 C ATOM 559 O GLY A 35 -7.933 17.617 -7.956 1.00 0.00 O ATOM 0 H GLY A 35 -4.674 15.224 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.417 17.130 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.386 18.072 -8.393 1.00 0.00 H new ATOM 563 N ILE A 36 -7.412 15.570 -8.733 1.00 0.00 N ATOM 564 CA ILE A 36 -8.760 15.255 -9.193 1.00 0.00 C ATOM 565 C ILE A 36 -9.437 14.394 -8.131 1.00 0.00 C ATOM 566 O ILE A 36 -8.888 13.347 -7.801 1.00 0.00 O ATOM 567 CB ILE A 36 -8.664 14.501 -10.527 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.874 15.318 -11.572 1.00 0.00 C ATOM 569 CG2 ILE A 36 -10.077 14.205 -11.067 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.577 14.477 -12.806 1.00 0.00 C ATOM 0 H ILE A 36 -6.749 14.802 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.346 16.161 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.135 13.565 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.446 16.201 -11.857 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.940 15.671 -11.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.000 13.670 -12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.621 13.593 -10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.611 15.143 -11.223 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.020 15.074 -13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.985 13.608 -12.520 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.514 14.146 -13.255 1.00 0.00 H new ATOM 582 N PRO A 37 -10.632 14.744 -7.635 1.00 0.00 N ATOM 583 CA PRO A 37 -11.344 13.939 -6.651 1.00 0.00 C ATOM 584 C PRO A 37 -11.795 12.599 -7.233 1.00 0.00 C ATOM 585 O PRO A 37 -12.060 12.524 -8.430 1.00 0.00 O ATOM 586 CB PRO A 37 -12.526 14.791 -6.181 1.00 0.00 C ATOM 587 CG PRO A 37 -12.622 15.984 -7.134 1.00 0.00 C ATOM 588 CD PRO A 37 -11.391 15.915 -8.039 1.00 0.00 C ATOM 0 HA PRO A 37 -10.697 13.679 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.449 14.211 -6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.375 15.128 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.539 15.939 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.645 16.923 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.686 15.841 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.789 16.818 -7.940 1.00 0.00 H new ATOM 596 N PRO A 38 -11.948 11.539 -6.421 1.00 0.00 N ATOM 597 CA PRO A 38 -12.272 10.214 -6.935 1.00 0.00 C ATOM 598 C PRO A 38 -13.631 10.124 -7.596 1.00 0.00 C ATOM 599 O PRO A 38 -13.770 9.409 -8.582 1.00 0.00 O ATOM 600 CB PRO A 38 -12.205 9.271 -5.746 1.00 0.00 C ATOM 601 CG PRO A 38 -12.371 10.168 -4.519 1.00 0.00 C ATOM 602 CD PRO A 38 -11.757 11.493 -4.972 1.00 0.00 C ATOM 0 HA PRO A 38 -11.562 9.957 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.992 8.519 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.255 8.737 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.419 10.283 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.855 9.761 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.244 12.338 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.699 11.543 -4.714 1.00 0.00 H new ATOM 610 N ASP A 39 -14.615 10.871 -7.098 1.00 0.00 N ATOM 611 CA ASP A 39 -15.956 10.805 -7.678 1.00 0.00 C ATOM 612 C ASP A 39 -15.992 11.455 -9.062 1.00 0.00 C ATOM 613 O ASP A 39 -16.885 11.207 -9.866 1.00 0.00 O ATOM 614 CB ASP A 39 -16.969 11.463 -6.740 1.00 0.00 C ATOM 615 CG ASP A 39 -18.401 11.283 -7.272 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.891 10.131 -7.265 1.00 0.00 O ATOM 617 OD2 ASP A 39 -19.042 12.283 -7.672 1.00 0.00 O ATOM 0 H ASP A 39 -14.515 11.515 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.225 9.756 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.888 11.026 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.744 12.525 -6.641 1.00 0.00 H new ATOM 622 N GLN A 40 -14.964 12.256 -9.360 1.00 0.00 N ATOM 623 CA GLN A 40 -14.785 12.980 -10.609 1.00 0.00 C ATOM 624 C GLN A 40 -13.753 12.261 -11.491 1.00 0.00 C ATOM 625 O GLN A 40 -13.350 12.793 -12.515 1.00 0.00 O ATOM 626 CB GLN A 40 -14.398 14.419 -10.200 1.00 0.00 C ATOM 627 CG GLN A 40 -14.051 15.390 -11.335 1.00 0.00 C ATOM 628 CD GLN A 40 -14.154 16.853 -10.900 1.00 0.00 C ATOM 629 OE1 GLN A 40 -13.157 17.502 -10.603 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.364 17.395 -10.856 1.00 0.00 N ATOM 0 H GLN A 40 -14.202 12.420 -8.702 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.683 13.019 -11.226 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.224 14.844 -9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.542 14.363 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.039 15.188 -11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.721 15.216 -12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.181 16.839 -11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.477 18.368 -10.571 1.00 0.00 H new ATOM 639 N GLN A 41 -13.339 11.034 -11.179 1.00 0.00 N ATOM 640 CA GLN A 41 -12.212 10.359 -11.800 1.00 0.00 C ATOM 641 C GLN A 41 -12.578 8.912 -12.084 1.00 0.00 C ATOM 642 O GLN A 41 -13.262 8.292 -11.277 1.00 0.00 O ATOM 643 CB GLN A 41 -11.118 10.476 -10.731 1.00 0.00 C ATOM 644 CG GLN A 41 -9.713 10.110 -11.174 1.00 0.00 C ATOM 645 CD GLN A 41 -8.791 9.832 -9.993 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.106 8.824 -9.987 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.775 10.661 -8.955 1.00 0.00 N ATOM 0 H GLN A 41 -13.796 10.469 -10.464 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.902 10.779 -12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.106 11.502 -10.363 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.390 9.838 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.754 9.230 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.299 10.922 -11.772 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.350 11.503 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.187 10.455 -8.147 1.00 0.00 H new ATOM 656 N ARG A 42 -12.050 8.328 -13.158 1.00 0.00 N ATOM 657 CA ARG A 42 -12.167 6.891 -13.403 1.00 0.00 C ATOM 658 C ARG A 42 -10.791 6.297 -13.572 1.00 0.00 C ATOM 659 O ARG A 42 -9.843 7.001 -13.908 1.00 0.00 O ATOM 660 CB ARG A 42 -13.032 6.624 -14.648 1.00 0.00 C ATOM 661 CG ARG A 42 -14.238 5.728 -14.351 1.00 0.00 C ATOM 662 CD ARG A 42 -15.485 6.130 -15.145 1.00 0.00 C ATOM 663 NE ARG A 42 -16.617 5.219 -14.852 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.777 5.113 -15.518 1.00 0.00 C ATOM 665 NH1 ARG A 42 -17.993 5.811 -16.625 1.00 0.00 N ATOM 666 NH2 ARG A 42 -18.734 4.314 -15.068 1.00 0.00 N ATOM 0 H ARG A 42 -11.533 8.832 -13.878 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.655 6.420 -12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.382 7.574 -15.053 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.418 6.156 -15.418 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.983 4.694 -14.583 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.462 5.770 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.764 7.154 -14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.264 6.109 -16.212 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.500 4.600 -14.050 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.272 6.439 -16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.880 5.720 -17.120 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.590 3.777 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.615 4.236 -15.577 1.00 0.00 H new ATOM 680 N LEU A 43 -10.737 4.982 -13.415 1.00 0.00 N ATOM 681 CA LEU A 43 -9.525 4.208 -13.577 1.00 0.00 C ATOM 682 C LEU A 43 -9.840 3.149 -14.604 1.00 0.00 C ATOM 683 O LEU A 43 -10.865 2.487 -14.512 1.00 0.00 O ATOM 684 CB LEU A 43 -9.135 3.603 -12.215 1.00 0.00 C ATOM 685 CG LEU A 43 -7.676 3.886 -11.865 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.384 5.392 -11.712 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.379 3.210 -10.529 1.00 0.00 C ATOM 0 H LEU A 43 -11.550 4.418 -13.167 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.678 4.806 -13.914 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.781 4.011 -11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.302 2.526 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.054 3.507 -12.676 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.332 5.535 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.608 5.903 -12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.005 5.804 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.341 3.394 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.038 3.616 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.545 2.137 -10.619 1.00 0.00 H new ATOM 699 N ILE A 44 -8.984 3.025 -15.599 1.00 0.00 N ATOM 700 CA ILE A 44 -9.094 2.032 -16.662 1.00 0.00 C ATOM 701 C ILE A 44 -7.821 1.207 -16.609 1.00 0.00 C ATOM 702 O ILE A 44 -6.772 1.700 -16.201 1.00 0.00 O ATOM 703 CB ILE A 44 -9.398 2.740 -18.016 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.726 3.523 -17.820 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.434 1.782 -19.226 1.00 0.00 C ATOM 706 CD1 ILE A 44 -11.302 4.276 -19.013 1.00 0.00 C ATOM 0 H ILE A 44 -8.167 3.628 -15.698 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.930 1.344 -16.539 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.585 3.420 -18.268 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.481 2.816 -17.476 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.573 4.242 -17.015 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.651 2.348 -20.132 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.467 1.289 -19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.209 1.031 -19.073 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.228 4.771 -18.719 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.584 5.022 -19.353 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.507 3.574 -19.822 1.00 0.00 H new ATOM 718 N PHE A 45 -7.916 -0.043 -17.028 1.00 0.00 N ATOM 719 CA PHE A 45 -6.774 -0.928 -17.157 1.00 0.00 C ATOM 720 C PHE A 45 -7.033 -1.786 -18.376 1.00 0.00 C ATOM 721 O PHE A 45 -8.063 -2.444 -18.450 1.00 0.00 O ATOM 722 CB PHE A 45 -6.637 -1.786 -15.902 1.00 0.00 C ATOM 723 CG PHE A 45 -5.587 -2.873 -16.013 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.248 -2.526 -16.264 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.946 -4.227 -15.883 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.257 -3.520 -16.332 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.956 -5.224 -15.933 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.612 -4.870 -16.136 1.00 0.00 C ATOM 0 H PHE A 45 -8.801 -0.476 -17.291 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.843 -0.372 -17.270 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.391 -1.141 -15.058 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.600 -2.246 -15.681 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.979 -1.490 -16.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.982 -4.500 -15.745 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.230 -3.251 -16.533 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.229 -6.262 -15.815 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.849 -5.634 -16.142 1.00 0.00 H new ATOM 738 N ALA A 46 -6.128 -1.722 -19.344 1.00 0.00 N ATOM 739 CA ALA A 46 -6.088 -2.594 -20.519 1.00 0.00 C ATOM 740 C ALA A 46 -7.426 -2.765 -21.250 1.00 0.00 C ATOM 741 O ALA A 46 -7.748 -3.824 -21.791 1.00 0.00 O ATOM 742 CB ALA A 46 -5.464 -3.926 -20.092 1.00 0.00 C ATOM 0 H ALA A 46 -5.372 -1.037 -19.335 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.471 -2.111 -21.277 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.421 -4.599 -20.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.456 -3.752 -19.716 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.071 -4.377 -19.307 1.00 0.00 H new ATOM 748 N GLY A 47 -8.206 -1.687 -21.256 1.00 0.00 N ATOM 749 CA GLY A 47 -9.456 -1.576 -21.988 1.00 0.00 C ATOM 750 C GLY A 47 -10.690 -1.901 -21.148 1.00 0.00 C ATOM 751 O GLY A 47 -11.783 -1.986 -21.709 1.00 0.00 O ATOM 0 H GLY A 47 -7.974 -0.842 -20.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.550 -0.563 -22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.425 -2.247 -22.847 1.00 0.00 H new ATOM 755 N LYS A 48 -10.555 -2.039 -19.821 1.00 0.00 N ATOM 756 CA LYS A 48 -11.702 -2.166 -18.920 1.00 0.00 C ATOM 757 C LYS A 48 -11.579 -1.187 -17.768 1.00 0.00 C ATOM 758 O LYS A 48 -10.508 -0.987 -17.222 1.00 0.00 O ATOM 759 CB LYS A 48 -11.887 -3.638 -18.495 1.00 0.00 C ATOM 760 CG LYS A 48 -10.848 -4.184 -17.502 1.00 0.00 C ATOM 761 CD LYS A 48 -11.082 -5.659 -17.135 1.00 0.00 C ATOM 762 CE LYS A 48 -10.902 -6.599 -18.340 1.00 0.00 C ATOM 763 NZ LYS A 48 -11.079 -8.032 -17.972 1.00 0.00 N ATOM 0 H LYS A 48 -9.652 -2.065 -19.348 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.621 -1.892 -19.438 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.877 -3.747 -18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.868 -4.260 -19.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.852 -4.076 -17.931 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.871 -3.582 -16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.389 -5.948 -16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.089 -5.775 -16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.621 -6.334 -19.115 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.908 -6.455 -18.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.948 -8.626 -18.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.376 -8.295 -17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.036 -8.177 -17.591 1.00 0.00 H new ATOM 777 N GLN A 49 -12.657 -0.498 -17.445 1.00 0.00 N ATOM 778 CA GLN A 49 -12.784 0.359 -16.280 1.00 0.00 C ATOM 779 C GLN A 49 -12.767 -0.507 -15.020 1.00 0.00 C ATOM 780 O GLN A 49 -13.269 -1.633 -15.024 1.00 0.00 O ATOM 781 CB GLN A 49 -14.080 1.155 -16.487 1.00 0.00 C ATOM 782 CG GLN A 49 -14.622 1.964 -15.307 1.00 0.00 C ATOM 783 CD GLN A 49 -15.753 1.232 -14.573 1.00 0.00 C ATOM 784 OE1 GLN A 49 -15.567 0.670 -13.502 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.945 1.214 -15.149 1.00 0.00 N ATOM 0 H GLN A 49 -13.505 -0.521 -18.011 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.961 1.063 -16.155 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.921 1.842 -17.318 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.856 0.455 -16.797 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.812 2.171 -14.608 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.987 2.926 -15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.087 1.686 -16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.721 0.728 -14.700 1.00 0.00 H new ATOM 794 N LEU A 50 -12.195 0.046 -13.948 1.00 0.00 N ATOM 795 CA LEU A 50 -12.113 -0.591 -12.638 1.00 0.00 C ATOM 796 C LEU A 50 -13.018 0.189 -11.692 1.00 0.00 C ATOM 797 O LEU A 50 -12.977 1.423 -11.738 1.00 0.00 O ATOM 798 CB LEU A 50 -10.662 -0.569 -12.112 1.00 0.00 C ATOM 799 CG LEU A 50 -9.518 -0.847 -13.105 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.192 -0.890 -12.337 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.712 -2.129 -13.923 1.00 0.00 C ATOM 0 H LEU A 50 -11.767 0.971 -13.971 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.427 -1.633 -12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.485 0.410 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.589 -1.302 -11.308 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.513 -0.035 -13.832 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.375 -1.086 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.026 0.068 -11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.230 -1.682 -11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.868 -2.260 -14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.773 -2.984 -13.250 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.633 -2.056 -14.501 1.00 0.00 H new ATOM 813 N GLU A 51 -13.795 -0.476 -10.827 1.00 0.00 N ATOM 814 CA GLU A 51 -14.750 0.223 -9.976 1.00 0.00 C ATOM 815 C GLU A 51 -14.150 0.425 -8.588 1.00 0.00 C ATOM 816 O GLU A 51 -13.256 -0.302 -8.168 1.00 0.00 O ATOM 817 CB GLU A 51 -16.145 -0.433 -10.000 1.00 0.00 C ATOM 818 CG GLU A 51 -16.247 -1.780 -9.292 1.00 0.00 C ATOM 819 CD GLU A 51 -17.669 -2.367 -9.396 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.964 -3.099 -10.372 1.00 0.00 O ATOM 821 OE2 GLU A 51 -18.501 -2.108 -8.492 1.00 0.00 O ATOM 0 H GLU A 51 -13.777 -1.488 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.935 1.220 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.858 0.253 -9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.448 -0.564 -11.039 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.532 -2.477 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.977 -1.662 -8.243 1.00 0.00 H new ATOM 828 N ASP A 52 -14.647 1.434 -7.877 1.00 0.00 N ATOM 829 CA ASP A 52 -14.070 1.941 -6.629 1.00 0.00 C ATOM 830 C ASP A 52 -13.915 0.848 -5.582 1.00 0.00 C ATOM 831 O ASP A 52 -12.904 0.801 -4.881 1.00 0.00 O ATOM 832 CB ASP A 52 -14.930 3.086 -6.076 1.00 0.00 C ATOM 833 CG ASP A 52 -14.591 4.419 -6.751 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.423 4.856 -6.669 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.459 5.008 -7.435 1.00 0.00 O ATOM 0 H ASP A 52 -15.487 1.938 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.072 2.314 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.985 2.857 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.775 3.172 -5.000 1.00 0.00 H new ATOM 840 N GLY A 53 -14.903 -0.048 -5.512 1.00 0.00 N ATOM 841 CA GLY A 53 -14.997 -1.101 -4.512 1.00 0.00 C ATOM 842 C GLY A 53 -14.128 -2.321 -4.809 1.00 0.00 C ATOM 843 O GLY A 53 -14.296 -3.358 -4.167 1.00 0.00 O ATOM 0 H GLY A 53 -15.680 -0.056 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.713 -0.693 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.036 -1.419 -4.431 1.00 0.00 H new ATOM 847 N ARG A 54 -13.230 -2.235 -5.793 1.00 0.00 N ATOM 848 CA ARG A 54 -12.387 -3.336 -6.252 1.00 0.00 C ATOM 849 C ARG A 54 -10.935 -2.977 -6.025 1.00 0.00 C ATOM 850 O ARG A 54 -10.650 -1.887 -5.539 1.00 0.00 O ATOM 851 CB ARG A 54 -12.699 -3.603 -7.726 1.00 0.00 C ATOM 852 CG ARG A 54 -14.129 -4.091 -7.992 1.00 0.00 C ATOM 853 CD ARG A 54 -14.518 -5.378 -7.280 1.00 0.00 C ATOM 854 NE ARG A 54 -15.848 -5.853 -7.704 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.123 -6.606 -8.781 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.162 -7.025 -9.599 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.386 -6.935 -9.037 1.00 0.00 N ATOM 0 H ARG A 54 -13.066 -1.369 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.587 -4.250 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.529 -2.687 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.998 -4.347 -8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.825 -3.306 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.252 -4.237 -9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.774 -6.147 -7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.517 -5.213 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.639 -5.582 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.190 -6.775 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.396 -7.596 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.132 -6.616 -8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.609 -7.507 -9.852 1.00 0.00 H new ATOM 871 N THR A 55 -10.009 -3.861 -6.360 1.00 0.00 N ATOM 872 CA THR A 55 -8.603 -3.680 -6.059 1.00 0.00 C ATOM 873 C THR A 55 -7.783 -3.985 -7.287 1.00 0.00 C ATOM 874 O THR A 55 -8.281 -4.557 -8.253 1.00 0.00 O ATOM 875 CB THR A 55 -8.188 -4.619 -4.931 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.544 -5.948 -5.265 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.815 -4.292 -3.584 1.00 0.00 C ATOM 0 H THR A 55 -10.216 -4.730 -6.852 1.00 0.00 H new ATOM 0 HA THR A 55 -8.434 -2.648 -5.750 1.00 0.00 H new ATOM 0 HB THR A 55 -7.110 -4.494 -4.827 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.745 -6.515 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.468 -5.007 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.527 -3.285 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.901 -4.350 -3.664 1.00 0.00 H new ATOM 885 N LEU A 56 -6.506 -3.632 -7.243 1.00 0.00 N ATOM 886 CA LEU A 56 -5.622 -3.902 -8.375 1.00 0.00 C ATOM 887 C LEU A 56 -5.543 -5.412 -8.626 1.00 0.00 C ATOM 888 O LEU A 56 -5.609 -5.871 -9.766 1.00 0.00 O ATOM 889 CB LEU A 56 -4.238 -3.265 -8.138 1.00 0.00 C ATOM 890 CG LEU A 56 -4.283 -1.794 -7.698 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.872 -1.249 -7.551 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.031 -0.937 -8.727 1.00 0.00 C ATOM 0 H LEU A 56 -6.062 -3.166 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.028 -3.445 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.711 -3.843 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.655 -3.339 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.805 -1.749 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.916 -0.206 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.334 -1.830 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.353 -1.320 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.049 0.100 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.524 -0.999 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.053 -1.302 -8.831 1.00 0.00 H new ATOM 904 N SER A 57 -5.504 -6.191 -7.553 1.00 0.00 N ATOM 905 CA SER A 57 -5.532 -7.639 -7.567 1.00 0.00 C ATOM 906 C SER A 57 -6.827 -8.206 -8.137 1.00 0.00 C ATOM 907 O SER A 57 -6.782 -9.253 -8.786 1.00 0.00 O ATOM 908 CB SER A 57 -5.329 -8.143 -6.145 1.00 0.00 C ATOM 909 OG SER A 57 -6.131 -7.433 -5.203 1.00 0.00 O ATOM 0 H SER A 57 -5.450 -5.809 -6.609 1.00 0.00 H new ATOM 0 HA SER A 57 -4.731 -7.980 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.572 -9.205 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.278 -8.044 -5.873 1.00 0.00 H new ATOM 0 HG SER A 57 -5.972 -7.789 -4.304 1.00 0.00 H new ATOM 915 N ASP A 58 -7.964 -7.519 -7.968 1.00 0.00 N ATOM 916 CA ASP A 58 -9.232 -7.957 -8.555 1.00 0.00 C ATOM 917 C ASP A 58 -9.157 -7.945 -10.084 1.00 0.00 C ATOM 918 O ASP A 58 -9.877 -8.682 -10.762 1.00 0.00 O ATOM 919 CB ASP A 58 -10.380 -7.067 -8.081 1.00 0.00 C ATOM 920 CG ASP A 58 -11.726 -7.621 -8.574 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.142 -8.703 -8.090 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.408 -6.948 -9.380 1.00 0.00 O ATOM 0 H ASP A 58 -8.029 -6.656 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.420 -8.979 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.379 -7.011 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.239 -6.052 -8.453 1.00 0.00 H new ATOM 927 N TYR A 59 -8.201 -7.174 -10.613 1.00 0.00 N ATOM 928 CA TYR A 59 -7.912 -7.023 -12.037 1.00 0.00 C ATOM 929 C TYR A 59 -6.544 -7.609 -12.415 1.00 0.00 C ATOM 930 O TYR A 59 -6.077 -7.435 -13.538 1.00 0.00 O ATOM 931 CB TYR A 59 -8.074 -5.546 -12.403 1.00 0.00 C ATOM 932 CG TYR A 59 -9.475 -5.032 -12.152 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.535 -5.426 -12.991 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.729 -4.189 -11.055 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.843 -4.965 -12.746 1.00 0.00 C ATOM 936 CE2 TYR A 59 -11.037 -3.775 -10.779 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.105 -4.141 -11.627 1.00 0.00 C ATOM 938 OH TYR A 59 -13.354 -3.642 -11.391 1.00 0.00 O ATOM 0 H TYR A 59 -7.580 -6.613 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.621 -7.603 -12.628 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.365 -4.953 -11.825 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.823 -5.407 -13.455 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.344 -6.084 -13.826 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.915 -3.861 -10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.646 -5.241 -13.413 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.232 -3.168 -9.907 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.986 -4.382 -11.279 1.00 0.00 H new ATOM 948 N ASN A 60 -5.934 -8.350 -11.487 1.00 0.00 N ATOM 949 CA ASN A 60 -4.698 -9.122 -11.636 1.00 0.00 C ATOM 950 C ASN A 60 -3.470 -8.271 -11.982 1.00 0.00 C ATOM 951 O ASN A 60 -2.442 -8.784 -12.429 1.00 0.00 O ATOM 952 CB ASN A 60 -4.911 -10.309 -12.596 1.00 0.00 C ATOM 953 CG ASN A 60 -4.101 -11.516 -12.143 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.107 -11.903 -12.752 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.524 -12.135 -11.047 1.00 0.00 N ATOM 0 H ASN A 60 -6.318 -8.432 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.460 -9.532 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.969 -10.568 -12.634 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.616 -10.024 -13.606 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.021 -12.949 -10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.352 -11.796 -10.557 1.00 0.00 H new ATOM 962 N ILE A 61 -3.566 -6.962 -11.749 1.00 0.00 N ATOM 963 CA ILE A 61 -2.471 -6.007 -11.809 1.00 0.00 C ATOM 964 C ILE A 61 -1.472 -6.395 -10.714 1.00 0.00 C ATOM 965 O ILE A 61 -1.859 -6.829 -9.625 1.00 0.00 O ATOM 966 CB ILE A 61 -3.070 -4.608 -11.577 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.050 -4.206 -12.701 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.008 -3.505 -11.422 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.100 -3.217 -12.205 1.00 0.00 C ATOM 0 H ILE A 61 -4.453 -6.523 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.953 -6.006 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.609 -4.691 -10.633 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.494 -3.763 -13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.544 -5.097 -13.090 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.500 -2.546 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.369 -3.732 -10.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.401 -3.455 -12.326 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.771 -2.958 -13.024 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.673 -3.670 -11.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.607 -2.316 -11.840 1.00 0.00 H new ATOM 981 N GLN A 62 -0.190 -6.182 -10.993 1.00 0.00 N ATOM 982 CA GLN A 62 0.916 -6.434 -10.077 1.00 0.00 C ATOM 983 C GLN A 62 1.759 -5.153 -9.997 1.00 0.00 C ATOM 984 O GLN A 62 1.351 -4.098 -10.481 1.00 0.00 O ATOM 985 CB GLN A 62 1.722 -7.646 -10.594 1.00 0.00 C ATOM 986 CG GLN A 62 0.862 -8.911 -10.755 1.00 0.00 C ATOM 987 CD GLN A 62 1.656 -10.093 -11.319 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.719 -10.454 -10.815 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.169 -10.720 -12.382 1.00 0.00 N ATOM 0 H GLN A 62 0.118 -5.817 -11.894 1.00 0.00 H new ATOM 0 HA GLN A 62 0.572 -6.679 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.172 -7.394 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.539 -7.854 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.444 -9.187 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.022 -8.694 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.287 -10.415 -12.794 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.676 -11.507 -12.787 1.00 0.00 H new ATOM 998 N LYS A 63 2.927 -5.213 -9.361 1.00 0.00 N ATOM 999 CA LYS A 63 3.913 -4.149 -9.365 1.00 0.00 C ATOM 1000 C LYS A 63 4.365 -3.829 -10.780 1.00 0.00 C ATOM 1001 O LYS A 63 4.190 -4.627 -11.702 1.00 0.00 O ATOM 1002 CB LYS A 63 5.113 -4.572 -8.497 1.00 0.00 C ATOM 1003 CG LYS A 63 6.008 -5.633 -9.139 1.00 0.00 C ATOM 1004 CD LYS A 63 7.007 -6.177 -8.108 1.00 0.00 C ATOM 1005 CE LYS A 63 8.050 -7.059 -8.806 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.010 -7.675 -7.851 1.00 0.00 N ATOM 0 H LYS A 63 3.216 -6.026 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 63 3.464 -3.246 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.715 -3.691 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.742 -4.953 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.397 -6.447 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.545 -5.203 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.501 -5.351 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.480 -6.754 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.541 -7.846 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.600 -6.460 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.692 -8.260 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.518 -6.926 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.492 -8.270 -7.173 1.00 0.00 H new ATOM 1020 N GLU A 64 4.997 -2.666 -10.892 1.00 0.00 N ATOM 1021 CA GLU A 64 5.564 -2.087 -12.097 1.00 0.00 C ATOM 1022 C GLU A 64 4.648 -2.344 -13.303 1.00 0.00 C ATOM 1023 O GLU A 64 5.068 -2.790 -14.372 1.00 0.00 O ATOM 1024 CB GLU A 64 7.064 -2.435 -12.234 1.00 0.00 C ATOM 1025 CG GLU A 64 7.432 -3.852 -12.679 1.00 0.00 C ATOM 1026 CD GLU A 64 8.928 -4.144 -12.445 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.759 -3.819 -13.328 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.285 -4.717 -11.387 1.00 0.00 O ATOM 0 H GLU A 64 5.135 -2.062 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 64 5.587 -0.999 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.506 -1.736 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.539 -2.253 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.828 -4.575 -12.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.196 -3.976 -13.736 1.00 0.00 H new ATOM 1035 N SER A 65 3.359 -2.067 -13.087 1.00 0.00 N ATOM 1036 CA SER A 65 2.309 -2.313 -14.073 1.00 0.00 C ATOM 1037 C SER A 65 1.607 -1.001 -14.358 1.00 0.00 C ATOM 1038 O SER A 65 1.596 -0.109 -13.511 1.00 0.00 O ATOM 1039 CB SER A 65 1.330 -3.381 -13.568 1.00 0.00 C ATOM 1040 OG SER A 65 1.964 -4.643 -13.422 1.00 0.00 O ATOM 0 H SER A 65 3.015 -1.663 -12.216 1.00 0.00 H new ATOM 0 HA SER A 65 2.743 -2.696 -14.997 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.913 -3.070 -12.610 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.497 -3.470 -14.265 1.00 0.00 H new ATOM 0 HG SER A 65 2.727 -4.557 -12.813 1.00 0.00 H new ATOM 1046 N THR A 66 1.007 -0.882 -15.537 1.00 0.00 N ATOM 1047 CA THR A 66 0.486 0.379 -16.044 1.00 0.00 C ATOM 1048 C THR A 66 -1.032 0.381 -15.951 1.00 0.00 C ATOM 1049 O THR A 66 -1.682 -0.645 -16.109 1.00 0.00 O ATOM 1050 CB THR A 66 0.985 0.623 -17.490 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.388 0.410 -17.540 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.688 2.029 -18.040 1.00 0.00 C ATOM 0 H THR A 66 0.868 -1.667 -16.173 1.00 0.00 H new ATOM 0 HA THR A 66 0.856 1.203 -15.434 1.00 0.00 H new ATOM 0 HB THR A 66 0.437 -0.080 -18.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.710 0.561 -18.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.072 2.111 -19.057 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.389 2.198 -18.044 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.170 2.776 -17.409 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.582 1.565 -15.712 1.00 0.00 N ATOM 1061 CA LEU A 67 -2.992 1.869 -15.566 1.00 0.00 C ATOM 1062 C LEU A 67 -3.323 3.091 -16.408 1.00 0.00 C ATOM 1063 O LEU A 67 -2.415 3.753 -16.898 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.223 2.177 -14.076 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.370 1.411 -13.444 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.050 -0.076 -13.391 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.570 1.912 -12.017 1.00 0.00 C ATOM 0 H LEU A 67 -1.005 2.400 -15.608 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.622 1.042 -15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.308 1.955 -13.526 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.411 3.245 -13.964 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.269 1.566 -14.040 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.883 -0.611 -12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.889 -0.450 -14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.149 -0.233 -12.798 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.393 1.368 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.658 1.750 -11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.803 2.977 -12.034 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.598 3.454 -16.490 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.057 4.640 -17.211 1.00 0.00 C ATOM 1081 C HIS A 68 -5.893 5.499 -16.256 1.00 0.00 C ATOM 1082 O HIS A 68 -6.768 4.954 -15.582 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.889 4.181 -18.419 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.118 3.942 -19.694 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.391 2.824 -20.048 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.155 4.753 -20.789 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.995 2.972 -21.328 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.429 4.143 -21.813 1.00 0.00 N ATOM 0 H HIS A 68 -5.354 2.927 -16.052 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.218 5.236 -17.570 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.406 3.260 -18.151 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.655 4.931 -18.615 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.189 2.025 -19.447 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.660 5.705 -20.853 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.412 2.251 -21.882 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.690 6.822 -16.199 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.528 7.742 -15.433 1.00 0.00 C ATOM 1097 C LEU A 69 -7.395 8.472 -16.429 1.00 0.00 C ATOM 1098 O LEU A 69 -6.855 8.943 -17.430 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.587 8.755 -14.759 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.119 9.984 -14.020 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.564 11.150 -14.900 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.221 9.604 -13.047 1.00 0.00 C ATOM 0 H LEU A 69 -4.927 7.286 -16.692 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.137 7.230 -14.688 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.982 8.196 -14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.912 9.121 -15.533 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.252 10.360 -13.478 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.922 11.965 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.721 11.497 -15.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.367 10.822 -15.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.580 10.498 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.044 9.142 -13.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.831 8.899 -12.313 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.685 8.633 -16.138 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.541 9.517 -16.919 1.00 0.00 C ATOM 1116 C VAL A 70 -10.298 10.411 -15.952 1.00 0.00 C ATOM 1117 O VAL A 70 -10.504 10.070 -14.791 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.468 8.739 -17.882 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.761 7.596 -18.610 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.687 8.100 -17.233 1.00 0.00 C ATOM 0 H VAL A 70 -9.158 8.162 -15.367 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.932 10.139 -17.575 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.779 9.530 -18.564 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.468 7.092 -19.269 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.936 7.995 -19.200 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.374 6.884 -17.881 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.272 7.579 -17.991 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.364 7.389 -16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.300 8.873 -16.770 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.763 11.533 -16.470 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.688 12.434 -15.801 1.00 0.00 C ATOM 1132 C LEU A 71 -13.067 11.839 -16.046 1.00 0.00 C ATOM 1133 O LEU A 71 -13.322 11.393 -17.157 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.605 13.795 -16.524 1.00 0.00 C ATOM 1135 CG LEU A 71 -11.885 15.105 -15.755 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -12.845 15.945 -16.610 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.476 14.950 -14.352 1.00 0.00 C ATOM 0 H LEU A 71 -10.499 11.855 -17.401 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.477 12.559 -14.739 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.603 13.876 -16.945 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.301 13.758 -17.362 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.915 15.575 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.066 16.881 -16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.381 16.160 -17.573 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.770 15.391 -16.769 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.629 15.935 -13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.431 14.428 -14.415 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.789 14.376 -13.729 1.00 0.00 H new ATOM 1149 N ARG A 72 -13.986 11.912 -15.092 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.381 11.530 -15.307 1.00 0.00 C ATOM 1151 C ARG A 72 -16.379 12.509 -14.716 1.00 0.00 C ATOM 1152 O ARG A 72 -17.544 12.165 -14.596 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.605 10.099 -14.782 1.00 0.00 C ATOM 1154 CG ARG A 72 -16.897 9.492 -15.388 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.933 9.114 -14.311 1.00 0.00 C ATOM 1156 NE ARG A 72 -19.245 8.756 -14.895 1.00 0.00 N ATOM 1157 CZ ARG A 72 -20.202 9.597 -15.329 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -20.008 10.913 -15.338 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -21.354 9.114 -15.772 1.00 0.00 N ATOM 0 H ARG A 72 -13.788 12.238 -14.146 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.566 11.558 -16.381 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.749 9.474 -15.037 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.678 10.112 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.341 10.208 -16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.641 8.605 -15.968 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.557 8.274 -13.727 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.060 9.950 -13.623 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.447 7.760 -14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.122 11.300 -15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.745 11.535 -15.671 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.514 8.107 -15.784 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.081 9.750 -16.101 1.00 0.00 H new ATOM 1331 N ILE B 683 -6.075 15.587 -20.926 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.488 14.648 -21.945 1.00 0.00 C ATOM 1333 C ILE B 683 -5.762 14.983 -23.260 1.00 0.00 C ATOM 1334 O ILE B 683 -5.616 16.154 -23.620 1.00 0.00 O ATOM 1335 CB ILE B 683 -8.024 14.663 -22.081 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.881 14.975 -20.817 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.472 13.344 -22.679 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.847 14.018 -19.605 1.00 0.00 C ATOM 0 HA ILE B 683 -6.211 13.631 -21.669 1.00 0.00 H new ATOM 0 HB ILE B 683 -8.215 15.525 -22.721 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.584 15.961 -20.460 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.919 15.052 -21.140 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.557 13.341 -22.781 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -8.015 13.215 -23.660 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.166 12.526 -22.026 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.504 14.398 -18.823 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.184 13.028 -19.913 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.829 13.952 -19.222 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.308 13.949 -23.970 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.570 13.988 -25.231 1.00 0.00 C ATOM 1352 C ASP B 684 -5.056 12.817 -26.098 1.00 0.00 C ATOM 1353 O ASP B 684 -5.268 11.722 -25.557 1.00 0.00 O ATOM 1354 CB ASP B 684 -3.057 13.840 -24.989 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.292 13.787 -26.320 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.161 12.684 -26.898 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.830 14.854 -26.790 1.00 0.00 O ATOM 0 H ASP B 684 -5.459 12.991 -23.654 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.745 14.945 -25.723 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.697 14.677 -24.391 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.863 12.933 -24.417 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.267 13.013 -27.415 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.758 11.978 -28.317 1.00 0.00 C ATOM 1364 C PRO B 685 -5.078 10.611 -28.203 1.00 0.00 C ATOM 1365 O PRO B 685 -5.786 9.609 -28.247 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.619 12.553 -29.726 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.813 14.046 -29.500 1.00 0.00 C ATOM 1368 CD PRO B 685 -5.168 14.279 -28.132 1.00 0.00 C ATOM 0 HA PRO B 685 -6.789 11.749 -28.046 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.643 12.333 -30.159 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.368 12.146 -30.405 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -5.331 14.637 -30.279 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.868 14.320 -29.500 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -4.127 14.585 -28.239 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.680 15.074 -27.590 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.750 10.520 -28.036 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.039 9.238 -28.102 1.00 0.00 C ATOM 1378 C GLN B 686 -3.586 8.265 -27.050 1.00 0.00 C ATOM 1379 O GLN B 686 -3.976 7.138 -27.357 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.527 9.468 -27.902 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.691 8.193 -28.110 1.00 0.00 C ATOM 1382 CD GLN B 686 0.702 8.318 -27.490 1.00 0.00 C ATOM 1383 OE1 GLN B 686 0.914 7.945 -26.336 1.00 0.00 O ATOM 1384 NE2 GLN B 686 1.684 8.841 -28.215 1.00 0.00 N ATOM 0 H GLN B 686 -3.147 11.322 -27.854 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.198 8.794 -29.085 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.187 10.236 -28.597 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.353 9.849 -26.896 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -1.210 7.342 -27.669 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -0.597 7.990 -29.177 1.00 0.00 H new ATOM 0 HE21 GLN B 686 1.504 9.149 -29.171 1.00 0.00 H new ATOM 0 HE22 GLN B 686 2.618 8.935 -27.816 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.644 8.699 -25.790 1.00 0.00 N ATOM 1394 CA VAL B 687 -4.087 7.836 -24.698 1.00 0.00 C ATOM 1395 C VAL B 687 -5.591 7.590 -24.807 1.00 0.00 C ATOM 1396 O VAL B 687 -6.098 6.509 -24.532 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.767 8.507 -23.359 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.994 7.496 -22.236 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.332 9.043 -23.312 1.00 0.00 C ATOM 0 H VAL B 687 -3.389 9.644 -25.502 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.567 6.880 -24.759 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.429 9.364 -23.235 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.769 7.962 -21.276 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -5.034 7.168 -22.246 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.341 6.636 -22.383 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.150 9.510 -22.344 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.631 8.220 -23.455 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.193 9.780 -24.103 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.311 8.618 -25.222 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.735 8.609 -25.414 1.00 0.00 C ATOM 1411 C PHE B 688 -8.124 7.634 -26.545 1.00 0.00 C ATOM 1412 O PHE B 688 -9.230 7.108 -26.527 1.00 0.00 O ATOM 1413 CB PHE B 688 -8.105 10.063 -25.616 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.580 10.324 -25.860 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.532 10.211 -24.825 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -10.018 10.633 -27.160 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.900 10.438 -25.082 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.381 10.847 -27.422 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.320 10.760 -26.383 1.00 0.00 C ATOM 0 H PHE B 688 -5.890 9.521 -25.442 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.305 8.223 -24.569 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.793 10.627 -24.737 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.538 10.452 -26.462 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.211 9.949 -23.828 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.300 10.706 -27.964 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.622 10.365 -24.282 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.707 11.079 -28.425 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.366 10.941 -26.584 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.205 7.309 -27.466 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.349 6.253 -28.466 1.00 0.00 C ATOM 1431 C TYR B 689 -6.921 4.881 -27.917 1.00 0.00 C ATOM 1432 O TYR B 689 -7.474 3.864 -28.345 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.500 6.594 -29.699 1.00 0.00 C ATOM 1434 CG TYR B 689 -6.882 7.816 -30.524 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -8.191 8.349 -30.525 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -5.899 8.414 -31.339 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.506 9.463 -31.323 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.204 9.528 -32.138 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.515 10.057 -32.140 1.00 0.00 C ATOM 1440 OH TYR B 689 -7.832 11.134 -32.918 1.00 0.00 O ATOM 0 H TYR B 689 -6.311 7.795 -27.533 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.403 6.193 -28.736 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -5.470 6.726 -29.367 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -6.513 5.728 -30.361 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -8.954 7.898 -29.909 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -4.898 8.010 -31.349 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -9.508 9.867 -31.312 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -5.438 9.980 -32.750 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.039 11.422 -33.417 1.00 0.00 H new ATOM 1450 N GLU B 690 -5.970 4.814 -26.977 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.640 3.588 -26.229 1.00 0.00 C ATOM 1452 C GLU B 690 -6.873 3.080 -25.460 1.00 0.00 C ATOM 1453 O GLU B 690 -7.043 1.887 -25.203 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.492 3.881 -25.247 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.628 2.652 -24.939 1.00 0.00 C ATOM 1456 CD GLU B 690 -2.804 2.193 -26.159 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -1.731 2.785 -26.426 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -3.220 1.231 -26.847 1.00 0.00 O ATOM 0 H GLU B 690 -5.400 5.617 -26.709 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.329 2.815 -26.932 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.860 4.666 -25.662 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.909 4.266 -24.316 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -2.954 2.883 -24.114 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -4.268 1.834 -24.608 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.727 4.031 -25.094 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.903 3.900 -24.254 1.00 0.00 C ATOM 1467 C LEU B 691 -10.026 3.070 -24.910 1.00 0.00 C ATOM 1468 O LEU B 691 -10.157 3.085 -26.133 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.375 5.353 -24.009 1.00 0.00 C ATOM 1470 CG LEU B 691 -9.816 5.728 -22.604 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -8.722 5.384 -21.582 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -10.140 7.214 -22.548 1.00 0.00 C ATOM 0 H LEU B 691 -7.599 4.993 -25.407 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.661 3.366 -23.335 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -8.563 6.021 -24.295 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -10.206 5.554 -24.685 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.709 5.156 -22.352 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -9.058 5.660 -20.583 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -8.518 4.314 -21.613 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -7.812 5.934 -21.824 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.456 7.480 -21.539 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.254 7.790 -22.814 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -10.943 7.438 -23.250 1.00 0.00 H new ATOM 1484 N PRO B 692 -10.914 2.428 -24.122 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.131 1.787 -24.628 1.00 0.00 C ATOM 1486 C PRO B 692 -13.091 2.822 -25.215 1.00 0.00 C ATOM 1487 O PRO B 692 -13.116 3.968 -24.775 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.755 1.087 -23.414 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.271 1.951 -22.249 1.00 0.00 C ATOM 1490 CD PRO B 692 -10.844 2.269 -22.679 1.00 0.00 C ATOM 0 HA PRO B 692 -11.913 1.084 -25.432 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -13.843 1.061 -23.475 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.416 0.055 -23.322 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -12.873 2.851 -22.128 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.304 1.416 -21.300 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.480 3.177 -22.199 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -10.160 1.466 -22.403 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.919 2.426 -26.176 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.824 3.335 -26.882 1.00 0.00 C ATOM 1500 C GLU B 693 -15.969 3.788 -25.968 1.00 0.00 C ATOM 1501 O GLU B 693 -16.345 4.959 -25.975 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.337 2.612 -28.139 1.00 0.00 C ATOM 1503 CG GLU B 693 -16.134 3.504 -29.100 1.00 0.00 C ATOM 1504 CD GLU B 693 -15.324 4.681 -29.688 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -14.124 4.515 -30.010 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -15.917 5.774 -29.857 1.00 0.00 O ATOM 0 H GLU B 693 -13.984 1.458 -26.492 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.297 4.242 -27.180 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -14.486 2.191 -28.674 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -15.966 1.776 -27.832 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -16.511 2.891 -29.919 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -17.002 3.901 -28.574 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.504 2.889 -25.137 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.683 3.191 -24.322 1.00 0.00 C ATOM 1515 C ALA B 694 -17.358 4.204 -23.220 1.00 0.00 C ATOM 1516 O ALA B 694 -18.138 5.124 -22.970 1.00 0.00 O ATOM 1517 CB ALA B 694 -18.238 1.893 -23.737 1.00 0.00 C ATOM 0 H ALA B 694 -16.138 1.945 -25.011 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.442 3.649 -24.956 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -19.116 2.114 -23.130 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.517 1.219 -24.547 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.477 1.419 -23.117 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.183 4.091 -22.591 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.823 5.051 -21.542 1.00 0.00 C ATOM 1525 C VAL B 695 -15.442 6.387 -22.189 1.00 0.00 C ATOM 1526 O VAL B 695 -15.778 7.427 -21.634 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.771 4.497 -20.553 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.833 5.301 -19.245 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -15.013 3.022 -20.182 1.00 0.00 C ATOM 0 H VAL B 695 -15.486 3.371 -22.781 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.692 5.230 -20.909 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.805 4.581 -21.051 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -14.093 4.914 -18.545 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.622 6.350 -19.452 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.828 5.210 -18.809 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.243 2.691 -19.486 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.992 2.920 -19.715 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.975 2.409 -21.083 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.856 6.394 -23.399 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.677 7.645 -24.143 1.00 0.00 C ATOM 1541 C GLN B 696 -16.045 8.298 -24.365 1.00 0.00 C ATOM 1542 O GLN B 696 -16.169 9.504 -24.199 1.00 0.00 O ATOM 1543 CB GLN B 696 -14.029 7.422 -25.516 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.555 7.034 -25.499 1.00 0.00 C ATOM 1545 CD GLN B 696 -12.149 6.606 -26.914 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.138 7.406 -27.852 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.867 5.331 -27.121 1.00 0.00 N ATOM 0 H GLN B 696 -14.505 5.562 -23.873 1.00 0.00 H new ATOM 0 HA GLN B 696 -14.018 8.281 -23.551 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.585 6.642 -26.036 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -14.138 8.335 -26.101 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.946 7.875 -25.168 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.385 6.220 -24.794 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.877 4.673 -26.341 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.639 5.005 -28.060 1.00 0.00 H new ATOM 1556 N LYS B 697 -17.071 7.509 -24.704 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.448 7.988 -24.884 1.00 0.00 C ATOM 1558 C LYS B 697 -18.920 8.753 -23.649 1.00 0.00 C ATOM 1559 O LYS B 697 -19.469 9.846 -23.795 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.402 6.812 -25.192 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.450 7.134 -26.270 1.00 0.00 C ATOM 1562 CD LYS B 697 -20.156 6.439 -27.613 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.780 6.808 -28.198 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.613 6.284 -29.584 1.00 0.00 N ATOM 0 H LYS B 697 -16.968 6.507 -24.863 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.461 8.669 -25.735 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.814 5.953 -25.515 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -19.914 6.521 -24.275 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.435 6.829 -25.916 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.487 8.212 -26.424 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -20.207 5.359 -27.475 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.932 6.706 -28.330 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.665 7.892 -28.202 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.993 6.406 -27.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.600 6.196 -29.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -19.066 5.351 -29.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -19.056 6.940 -30.259 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.665 8.205 -22.452 1.00 0.00 N ATOM 1579 CA GLU B 698 -19.003 8.883 -21.193 1.00 0.00 C ATOM 1580 C GLU B 698 -18.313 10.237 -21.180 1.00 0.00 C ATOM 1581 O GLU B 698 -18.939 11.272 -20.991 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.532 8.123 -19.927 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.512 8.298 -18.756 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.579 7.194 -18.713 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.607 7.299 -19.421 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.379 6.224 -17.943 1.00 0.00 O ATOM 0 H GLU B 698 -18.225 7.293 -22.330 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.090 8.950 -21.158 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.428 7.063 -20.158 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.546 8.484 -19.633 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -18.956 8.299 -17.818 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.001 9.269 -18.837 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.001 10.188 -21.396 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.093 11.303 -21.235 1.00 0.00 C ATOM 1595 C LEU B 699 -16.510 12.430 -22.144 1.00 0.00 C ATOM 1596 O LEU B 699 -16.886 13.464 -21.634 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.670 10.804 -21.509 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.900 10.261 -20.291 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.763 9.644 -19.183 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.898 9.223 -20.805 1.00 0.00 C ATOM 0 H LEU B 699 -16.531 9.335 -21.699 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.120 11.699 -20.220 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.720 10.018 -22.262 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.096 11.623 -21.941 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.420 11.116 -19.816 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.121 9.294 -18.374 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.454 10.395 -18.799 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.328 8.804 -19.587 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.333 8.816 -19.966 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.434 8.417 -21.307 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.213 9.696 -21.508 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.531 12.234 -23.457 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.852 13.295 -24.404 1.00 0.00 C ATOM 1614 C LEU B 700 -18.244 13.875 -24.163 1.00 0.00 C ATOM 1615 O LEU B 700 -18.407 15.092 -24.263 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.645 12.835 -25.862 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.491 11.620 -26.282 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.741 12.009 -27.076 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.654 10.636 -27.104 1.00 0.00 C ATOM 0 H LEU B 700 -16.326 11.336 -23.895 1.00 0.00 H new ATOM 0 HA LEU B 700 -16.149 14.110 -24.230 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.875 13.667 -26.527 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.592 12.594 -26.006 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.822 11.146 -25.358 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -19.296 11.110 -27.344 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -19.371 12.657 -26.467 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -18.446 12.537 -27.983 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -17.271 9.784 -27.391 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -16.283 11.134 -28.000 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.811 10.288 -26.507 1.00 0.00 H new ATOM 1631 N ALA B 701 -19.232 13.038 -23.824 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.590 13.508 -23.610 1.00 0.00 C ATOM 1633 C ALA B 701 -20.672 14.359 -22.345 1.00 0.00 C ATOM 1634 O ALA B 701 -21.198 15.467 -22.367 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.526 12.302 -23.550 1.00 0.00 C ATOM 0 H ALA B 701 -19.108 12.034 -23.694 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.898 14.146 -24.438 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.549 12.643 -23.390 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.470 11.751 -24.489 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.228 11.650 -22.729 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.117 13.868 -21.244 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.105 14.576 -19.979 1.00 0.00 C ATOM 1643 C GLU B 702 -19.216 15.807 -20.073 1.00 0.00 C ATOM 1644 O GLU B 702 -19.558 16.831 -19.492 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.603 13.647 -18.874 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.512 12.459 -18.584 1.00 0.00 C ATOM 1647 CD GLU B 702 -21.753 12.866 -17.779 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.763 13.289 -18.390 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -21.705 12.778 -16.527 1.00 0.00 O ATOM 0 H GLU B 702 -19.659 12.957 -21.208 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.119 14.898 -19.742 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.617 13.274 -19.151 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.480 14.226 -17.959 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.823 12.003 -19.524 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -19.954 11.702 -18.032 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.115 15.732 -20.827 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.160 16.814 -20.935 1.00 0.00 C ATOM 1658 C TRP B 703 -17.856 18.040 -21.538 1.00 0.00 C ATOM 1659 O TRP B 703 -17.781 19.137 -20.987 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.940 16.416 -21.797 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.870 15.478 -21.259 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.692 15.079 -19.977 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.845 14.746 -22.012 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.670 14.156 -19.896 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.080 13.940 -21.113 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.499 14.659 -23.377 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.044 13.082 -21.525 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.498 13.772 -23.818 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.791 12.973 -22.899 1.00 0.00 C ATOM 0 H TRP B 703 -17.869 14.910 -21.379 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.790 17.048 -19.937 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.328 15.966 -22.711 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.438 17.340 -22.085 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.269 15.434 -19.136 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.388 13.690 -19.034 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -14.010 15.283 -24.095 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.462 12.525 -20.805 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.270 13.704 -24.872 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -11.050 12.273 -23.255 1.00 0.00 H new