USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 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 6 LYS NZ :NH3+ 165:sc= 0.161 (180deg=-0.169) USER MOD Set 1.2: A 12 THR OG1 : rot 170:sc= 0.191 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.143 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.788 (180deg=0.759) USER MOD Single : A 2 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.44) USER MOD Single : A 7 THR OG1 : rot 161:sc= -0.716 USER MOD Single : A 9 THR OG1 : rot -37:sc= 0.0391 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.831) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000274 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 1.51 (180deg=0.938) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.83 (180deg=0.825) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 0.907 (180deg=0.734) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0617 K(o=-0.062,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.84 K(o=0.84,f=-0.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 57 SER OG : rot 180:sc= -0.122 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.0289 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.16) USER MOD Single : A 65 SER OG : rot 56:sc= 0.786 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : B 686 GLN : amide:sc= 0.267 X(o=0.27,f=-0.07) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.246 X(o=0.25,f=-0.06) USER MOD Single : B 697 LYS NZ :NH3+ -109:sc= 0.0747 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.575 -1.853 -3.231 1.00 0.00 N ATOM 2 CA MET A 1 4.856 -1.880 -4.706 1.00 0.00 C ATOM 3 C MET A 1 4.569 -0.527 -5.355 1.00 0.00 C ATOM 4 O MET A 1 4.032 0.350 -4.694 1.00 0.00 O ATOM 5 CB MET A 1 4.101 -3.008 -5.464 1.00 0.00 C ATOM 6 CG MET A 1 2.573 -2.881 -5.644 1.00 0.00 C ATOM 7 SD MET A 1 1.870 -4.369 -6.404 1.00 0.00 S ATOM 8 CE MET A 1 0.290 -3.808 -7.109 1.00 0.00 C ATOM 0 H1 MET A 1 4.682 -2.811 -2.840 1.00 0.00 H new ATOM 0 H2 MET A 1 5.245 -1.210 -2.762 1.00 0.00 H new ATOM 0 H3 MET A 1 3.603 -1.519 -3.069 1.00 0.00 H new ATOM 0 HA MET A 1 5.920 -2.100 -4.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.545 -3.096 -6.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.296 -3.945 -4.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.104 -2.709 -4.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.349 -2.013 -6.265 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.290 -4.671 -7.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.271 -3.258 -6.353 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.483 -3.158 -7.962 1.00 0.00 H new ATOM 20 N GLN A 2 4.799 -0.374 -6.667 1.00 0.00 N ATOM 21 CA GLN A 2 4.438 0.843 -7.394 1.00 0.00 C ATOM 22 C GLN A 2 3.703 0.487 -8.670 1.00 0.00 C ATOM 23 O GLN A 2 3.888 -0.614 -9.170 1.00 0.00 O ATOM 24 CB GLN A 2 5.710 1.677 -7.637 1.00 0.00 C ATOM 25 CG GLN A 2 6.608 1.222 -8.807 1.00 0.00 C ATOM 26 CD GLN A 2 7.941 1.989 -8.865 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.119 3.029 -8.235 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.922 1.504 -9.616 1.00 0.00 N ATOM 0 H GLN A 2 5.238 -1.088 -7.248 1.00 0.00 H new ATOM 0 HA GLN A 2 3.753 1.456 -6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.414 2.711 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.305 1.668 -6.724 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.811 0.155 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.072 1.361 -9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.783 0.641 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.815 1.994 -9.667 1.00 0.00 H new ATOM 37 N ILE A 3 2.910 1.403 -9.208 1.00 0.00 N ATOM 38 CA ILE A 3 2.215 1.227 -10.493 1.00 0.00 C ATOM 39 C ILE A 3 2.241 2.542 -11.240 1.00 0.00 C ATOM 40 O ILE A 3 2.448 3.583 -10.629 1.00 0.00 O ATOM 41 CB ILE A 3 0.779 0.715 -10.266 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.046 1.646 -9.272 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.811 -0.762 -9.805 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.462 1.657 -9.475 1.00 0.00 C ATOM 0 H ILE A 3 2.723 2.303 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 3 2.722 0.474 -11.097 1.00 0.00 H new ATOM 0 HB ILE A 3 0.216 0.739 -11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.268 1.329 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.430 2.660 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.208 -1.116 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.292 -1.372 -10.570 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.371 -0.840 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.922 2.328 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.691 2.002 -10.483 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.855 0.650 -9.338 1.00 0.00 H new ATOM 56 N PHE A 4 2.001 2.494 -12.543 1.00 0.00 N ATOM 57 CA PHE A 4 2.191 3.605 -13.459 1.00 0.00 C ATOM 58 C PHE A 4 0.833 3.993 -14.009 1.00 0.00 C ATOM 59 O PHE A 4 0.310 3.369 -14.921 1.00 0.00 O ATOM 60 CB PHE A 4 3.167 3.198 -14.568 1.00 0.00 C ATOM 61 CG PHE A 4 4.367 2.395 -14.117 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.185 2.903 -13.100 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.669 1.146 -14.689 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.286 2.169 -12.642 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.818 0.449 -14.275 1.00 0.00 C ATOM 66 CZ PHE A 4 6.636 0.963 -13.259 1.00 0.00 C ATOM 0 H PHE A 4 1.657 1.652 -13.005 1.00 0.00 H new ATOM 0 HA PHE A 4 2.625 4.467 -12.952 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.622 2.617 -15.312 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.522 4.101 -15.065 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.965 3.867 -12.666 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.021 0.724 -15.443 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.868 2.535 -11.809 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.072 -0.490 -14.744 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.527 0.434 -12.956 1.00 0.00 H new ATOM 76 N VAL A 5 0.199 4.995 -13.439 1.00 0.00 N ATOM 77 CA VAL A 5 -1.126 5.405 -13.876 1.00 0.00 C ATOM 78 C VAL A 5 -0.911 6.405 -15.003 1.00 0.00 C ATOM 79 O VAL A 5 -0.505 7.543 -14.766 1.00 0.00 O ATOM 80 CB VAL A 5 -1.934 5.890 -12.666 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.294 6.450 -13.077 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.171 4.709 -11.717 1.00 0.00 C ATOM 0 H VAL A 5 0.578 5.545 -12.668 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.738 4.600 -14.282 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.363 6.683 -12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.834 6.782 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.151 7.294 -13.752 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.869 5.674 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.745 5.045 -10.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.724 3.928 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.212 4.313 -11.383 1.00 0.00 H new ATOM 92 N LYS A 6 -1.085 5.971 -16.252 1.00 0.00 N ATOM 93 CA LYS A 6 -1.000 6.878 -17.379 1.00 0.00 C ATOM 94 C LYS A 6 -2.214 7.770 -17.365 1.00 0.00 C ATOM 95 O LYS A 6 -3.334 7.265 -17.343 1.00 0.00 O ATOM 96 CB LYS A 6 -0.892 6.147 -18.724 1.00 0.00 C ATOM 97 CG LYS A 6 -0.298 7.166 -19.717 1.00 0.00 C ATOM 98 CD LYS A 6 -0.316 6.711 -21.178 1.00 0.00 C ATOM 99 CE LYS A 6 0.956 7.164 -21.926 1.00 0.00 C ATOM 100 NZ LYS A 6 2.201 6.479 -21.453 1.00 0.00 N ATOM 0 H LYS A 6 -1.284 5.002 -16.500 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.087 7.465 -17.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.254 5.267 -18.640 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.870 5.800 -19.059 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.852 8.101 -19.634 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.731 7.378 -19.428 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.398 5.625 -21.221 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.197 7.117 -21.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.829 6.974 -22.992 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.075 8.241 -21.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.963 6.628 -22.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.486 6.873 -20.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.019 5.460 -21.351 1.00 0.00 H new ATOM 114 N THR A 7 -2.012 9.075 -17.382 1.00 0.00 N ATOM 115 CA THR A 7 -3.100 9.973 -17.611 1.00 0.00 C ATOM 116 C THR A 7 -3.275 10.225 -19.081 1.00 0.00 C ATOM 117 O THR A 7 -2.374 10.090 -19.909 1.00 0.00 O ATOM 118 CB THR A 7 -3.027 11.246 -16.804 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.971 12.054 -17.246 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.811 11.028 -15.325 1.00 0.00 C ATOM 0 H THR A 7 -1.107 9.523 -17.240 1.00 0.00 H new ATOM 0 HA THR A 7 -3.998 9.477 -17.243 1.00 0.00 H new ATOM 0 HB THR A 7 -3.999 11.717 -16.952 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.114 12.975 -16.942 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.770 11.992 -14.817 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.634 10.439 -14.920 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.873 10.496 -15.169 1.00 0.00 H new ATOM 128 N LEU A 8 -4.493 10.625 -19.376 1.00 0.00 N ATOM 129 CA LEU A 8 -4.976 10.790 -20.731 1.00 0.00 C ATOM 130 C LEU A 8 -4.186 11.837 -21.513 1.00 0.00 C ATOM 131 O LEU A 8 -4.265 11.806 -22.732 1.00 0.00 O ATOM 132 CB LEU A 8 -6.470 11.060 -20.695 1.00 0.00 C ATOM 133 CG LEU A 8 -7.363 9.811 -20.678 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.082 9.682 -22.024 1.00 0.00 C ATOM 135 CD2 LEU A 8 -6.684 8.448 -20.430 1.00 0.00 C ATOM 0 H LEU A 8 -5.190 10.849 -18.666 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.812 9.865 -21.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.693 11.658 -19.811 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.734 11.664 -21.563 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.012 9.992 -19.821 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.717 8.796 -22.014 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.696 10.566 -22.195 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.346 9.592 -22.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.436 7.659 -20.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.946 8.262 -21.211 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.189 8.459 -19.459 1.00 0.00 H new ATOM 147 N THR A 9 -3.404 12.713 -20.873 1.00 0.00 N ATOM 148 CA THR A 9 -2.629 13.744 -21.553 1.00 0.00 C ATOM 149 C THR A 9 -1.376 13.130 -22.198 1.00 0.00 C ATOM 150 O THR A 9 -0.669 13.790 -22.962 1.00 0.00 O ATOM 151 CB THR A 9 -2.276 14.884 -20.577 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.826 16.036 -21.256 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.253 14.519 -19.503 1.00 0.00 C ATOM 0 H THR A 9 -3.294 12.722 -19.859 1.00 0.00 H new ATOM 0 HA THR A 9 -3.232 14.176 -22.352 1.00 0.00 H new ATOM 0 HB THR A 9 -3.218 15.085 -20.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.285 15.770 -22.028 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.070 15.384 -18.866 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.638 13.698 -18.898 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.320 14.214 -19.978 1.00 0.00 H new ATOM 161 N GLY A 10 -1.078 11.867 -21.875 1.00 0.00 N ATOM 162 CA GLY A 10 0.182 11.245 -22.232 1.00 0.00 C ATOM 163 C GLY A 10 1.198 11.451 -21.120 1.00 0.00 C ATOM 164 O GLY A 10 2.370 11.662 -21.428 1.00 0.00 O ATOM 0 H GLY A 10 -1.710 11.255 -21.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.034 10.179 -22.408 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.557 11.672 -23.162 1.00 0.00 H new ATOM 168 N LYS A 11 0.777 11.415 -19.844 1.00 0.00 N ATOM 169 CA LYS A 11 1.743 11.462 -18.739 1.00 0.00 C ATOM 170 C LYS A 11 1.613 10.145 -18.020 1.00 0.00 C ATOM 171 O LYS A 11 0.549 9.560 -18.065 1.00 0.00 O ATOM 172 CB LYS A 11 1.423 12.694 -17.870 1.00 0.00 C ATOM 173 CG LYS A 11 2.275 12.826 -16.600 1.00 0.00 C ATOM 174 CD LYS A 11 1.633 12.294 -15.310 1.00 0.00 C ATOM 175 CE LYS A 11 0.365 13.035 -14.873 1.00 0.00 C ATOM 176 NZ LYS A 11 0.597 14.455 -14.486 1.00 0.00 N ATOM 0 H LYS A 11 -0.201 11.355 -19.559 1.00 0.00 H new ATOM 0 HA LYS A 11 2.780 11.579 -19.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.556 13.591 -18.474 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.372 12.655 -17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.216 12.300 -16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.519 13.879 -16.456 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.392 11.240 -15.448 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.366 12.351 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.360 13.004 -15.686 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.080 12.507 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.251 14.829 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.407 14.510 -13.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.797 15.018 -15.337 1.00 0.00 H new ATOM 190 N THR A 12 2.612 9.690 -17.292 1.00 0.00 N ATOM 191 CA THR A 12 2.487 8.502 -16.460 1.00 0.00 C ATOM 192 C THR A 12 2.946 8.862 -15.055 1.00 0.00 C ATOM 193 O THR A 12 4.100 9.223 -14.837 1.00 0.00 O ATOM 194 CB THR A 12 3.222 7.327 -17.125 1.00 0.00 C ATOM 195 OG1 THR A 12 3.141 7.388 -18.544 1.00 0.00 O ATOM 196 CG2 THR A 12 2.560 6.018 -16.721 1.00 0.00 C ATOM 0 H THR A 12 3.532 10.129 -17.257 1.00 0.00 H new ATOM 0 HA THR A 12 1.457 8.159 -16.364 1.00 0.00 H new ATOM 0 HB THR A 12 4.262 7.384 -16.804 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.748 6.725 -18.935 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.082 5.186 -17.193 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.605 5.907 -15.638 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.519 6.023 -17.043 1.00 0.00 H new ATOM 204 N ILE A 13 1.989 8.837 -14.119 1.00 0.00 N ATOM 205 CA ILE A 13 2.232 9.112 -12.720 1.00 0.00 C ATOM 206 C ILE A 13 2.433 7.769 -12.058 1.00 0.00 C ATOM 207 O ILE A 13 1.519 6.952 -12.007 1.00 0.00 O ATOM 208 CB ILE A 13 1.127 9.998 -12.085 1.00 0.00 C ATOM 209 CG1 ILE A 13 0.984 9.841 -10.553 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.269 9.982 -12.708 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.265 9.140 -10.001 1.00 0.00 C ATOM 0 H ILE A 13 1.014 8.621 -14.328 1.00 0.00 H new ATOM 0 HA ILE A 13 3.125 9.720 -12.577 1.00 0.00 H new ATOM 0 HB ILE A 13 1.546 10.973 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.856 9.296 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.027 10.837 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.924 10.651 -12.150 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.209 10.314 -13.745 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.671 8.969 -12.674 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.214 9.110 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.156 9.688 -10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.313 8.123 -10.390 1.00 0.00 H new ATOM 223 N THR A 14 3.628 7.546 -11.544 1.00 0.00 N ATOM 224 CA THR A 14 3.920 6.365 -10.763 1.00 0.00 C ATOM 225 C THR A 14 3.422 6.646 -9.346 1.00 0.00 C ATOM 226 O THR A 14 3.569 7.764 -8.847 1.00 0.00 O ATOM 227 CB THR A 14 5.425 6.090 -10.794 1.00 0.00 C ATOM 228 OG1 THR A 14 5.883 6.116 -12.139 1.00 0.00 O ATOM 229 CG2 THR A 14 5.781 4.732 -10.156 1.00 0.00 C ATOM 0 H THR A 14 4.420 8.179 -11.657 1.00 0.00 H new ATOM 0 HA THR A 14 3.427 5.477 -11.160 1.00 0.00 H new ATOM 0 HB THR A 14 5.916 6.868 -10.210 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.847 5.941 -12.160 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.859 4.580 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.456 4.723 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.279 3.932 -10.700 1.00 0.00 H new ATOM 237 N LEU A 15 2.844 5.642 -8.691 1.00 0.00 N ATOM 238 CA LEU A 15 2.436 5.752 -7.302 1.00 0.00 C ATOM 239 C LEU A 15 2.686 4.451 -6.588 1.00 0.00 C ATOM 240 O LEU A 15 2.726 3.414 -7.236 1.00 0.00 O ATOM 241 CB LEU A 15 0.964 6.164 -7.187 1.00 0.00 C ATOM 242 CG LEU A 15 -0.082 5.163 -7.695 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.352 5.256 -6.856 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.463 5.428 -9.129 1.00 0.00 C ATOM 0 H LEU A 15 2.648 4.734 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 15 3.032 6.532 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.752 6.373 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.830 7.099 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 15 0.368 4.173 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.086 4.541 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.118 5.030 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.761 6.264 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.205 4.697 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.881 6.431 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.421 5.348 -9.761 1.00 0.00 H new ATOM 256 N GLU A 16 2.787 4.511 -5.266 1.00 0.00 N ATOM 257 CA GLU A 16 3.065 3.348 -4.453 1.00 0.00 C ATOM 258 C GLU A 16 1.764 2.874 -3.823 1.00 0.00 C ATOM 259 O GLU A 16 0.975 3.656 -3.289 1.00 0.00 O ATOM 260 CB GLU A 16 4.155 3.641 -3.413 1.00 0.00 C ATOM 261 CG GLU A 16 5.534 3.583 -4.081 1.00 0.00 C ATOM 262 CD GLU A 16 6.672 3.799 -3.068 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.074 4.966 -2.836 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.184 2.798 -2.503 1.00 0.00 O ATOM 0 H GLU A 16 2.677 5.373 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 16 3.461 2.545 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.995 4.625 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.102 2.915 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.661 2.616 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.592 4.343 -4.860 1.00 0.00 H new ATOM 271 N VAL A 17 1.545 1.576 -3.963 1.00 0.00 N ATOM 272 CA VAL A 17 0.305 0.868 -3.662 1.00 0.00 C ATOM 273 C VAL A 17 0.641 -0.519 -3.101 1.00 0.00 C ATOM 274 O VAL A 17 1.806 -0.877 -2.936 1.00 0.00 O ATOM 275 CB VAL A 17 -0.546 0.769 -4.957 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.893 2.133 -5.558 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.167 -0.072 -6.031 1.00 0.00 C ATOM 0 H VAL A 17 2.270 0.949 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.275 1.406 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.474 0.285 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.488 1.992 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.463 2.715 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.025 2.664 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.454 -0.122 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.123 0.389 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.338 -1.079 -5.651 1.00 0.00 H new ATOM 287 N GLU A 18 -0.387 -1.344 -2.944 1.00 0.00 N ATOM 288 CA GLU A 18 -0.308 -2.767 -2.637 1.00 0.00 C ATOM 289 C GLU A 18 -1.214 -3.444 -3.671 1.00 0.00 C ATOM 290 O GLU A 18 -2.147 -2.795 -4.148 1.00 0.00 O ATOM 291 CB GLU A 18 -0.841 -3.050 -1.221 1.00 0.00 C ATOM 292 CG GLU A 18 -0.147 -2.224 -0.138 1.00 0.00 C ATOM 293 CD GLU A 18 -0.542 -2.699 1.272 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.133 -3.600 1.825 1.00 0.00 O ATOM 295 OE2 GLU A 18 -1.517 -2.154 1.844 1.00 0.00 O ATOM 0 H GLU A 18 -1.350 -1.021 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 18 0.719 -3.130 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.911 -2.844 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.714 -4.109 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.934 -2.298 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.410 -1.173 -0.256 1.00 0.00 H new ATOM 302 N PRO A 19 -1.023 -4.722 -4.021 1.00 0.00 N ATOM 303 CA PRO A 19 -2.001 -5.440 -4.839 1.00 0.00 C ATOM 304 C PRO A 19 -3.416 -5.411 -4.224 1.00 0.00 C ATOM 305 O PRO A 19 -4.420 -5.350 -4.928 1.00 0.00 O ATOM 306 CB PRO A 19 -1.452 -6.865 -4.976 1.00 0.00 C ATOM 307 CG PRO A 19 0.020 -6.786 -4.587 1.00 0.00 C ATOM 308 CD PRO A 19 0.110 -5.564 -3.677 1.00 0.00 C ATOM 0 HA PRO A 19 -2.124 -4.968 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.991 -7.555 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.567 -7.231 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.343 -7.690 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.657 -6.675 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.074 -5.856 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.050 -5.034 -3.828 1.00 0.00 H new ATOM 316 N SER A 20 -3.511 -5.363 -2.897 1.00 0.00 N ATOM 317 CA SER A 20 -4.752 -5.335 -2.137 1.00 0.00 C ATOM 318 C SER A 20 -5.249 -3.908 -1.959 1.00 0.00 C ATOM 319 O SER A 20 -6.265 -3.695 -1.295 1.00 0.00 O ATOM 320 CB SER A 20 -4.499 -6.045 -0.795 1.00 0.00 C ATOM 321 OG SER A 20 -3.226 -5.687 -0.257 1.00 0.00 O ATOM 0 H SER A 20 -2.686 -5.342 -2.298 1.00 0.00 H new ATOM 0 HA SER A 20 -5.544 -5.859 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.284 -5.781 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.547 -7.125 -0.936 1.00 0.00 H new ATOM 0 HG SER A 20 -3.090 -6.150 0.596 1.00 0.00 H new ATOM 327 N ASP A 21 -4.559 -2.925 -2.547 1.00 0.00 N ATOM 328 CA ASP A 21 -5.008 -1.564 -2.447 1.00 0.00 C ATOM 329 C ASP A 21 -6.228 -1.400 -3.336 1.00 0.00 C ATOM 330 O ASP A 21 -6.258 -1.885 -4.478 1.00 0.00 O ATOM 331 CB ASP A 21 -3.923 -0.558 -2.818 1.00 0.00 C ATOM 332 CG ASP A 21 -4.250 0.848 -2.311 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.006 0.971 -1.321 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.671 1.824 -2.845 1.00 0.00 O ATOM 0 H ASP A 21 -3.703 -3.059 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.263 -1.356 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.970 -0.882 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.805 -0.535 -3.901 1.00 0.00 H new ATOM 339 N THR A 22 -7.259 -0.775 -2.786 1.00 0.00 N ATOM 340 CA THR A 22 -8.499 -0.561 -3.498 1.00 0.00 C ATOM 341 C THR A 22 -8.336 0.519 -4.542 1.00 0.00 C ATOM 342 O THR A 22 -7.620 1.503 -4.361 1.00 0.00 O ATOM 343 CB THR A 22 -9.687 -0.210 -2.592 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.299 0.754 -1.625 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.235 -1.455 -1.911 1.00 0.00 C ATOM 0 H THR A 22 -7.254 -0.405 -1.836 1.00 0.00 H new ATOM 0 HA THR A 22 -8.729 -1.517 -3.969 1.00 0.00 H new ATOM 0 HB THR A 22 -10.478 0.213 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.065 0.971 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.076 -1.181 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.569 -2.166 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.453 -1.911 -1.303 1.00 0.00 H new ATOM 353 N ILE A 23 -9.082 0.351 -5.625 1.00 0.00 N ATOM 354 CA ILE A 23 -9.258 1.370 -6.650 1.00 0.00 C ATOM 355 C ILE A 23 -9.616 2.728 -6.031 1.00 0.00 C ATOM 356 O ILE A 23 -9.037 3.723 -6.454 1.00 0.00 O ATOM 357 CB ILE A 23 -10.328 0.896 -7.642 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.986 -0.460 -8.288 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.598 1.930 -8.744 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.521 -0.734 -8.614 1.00 0.00 C ATOM 0 H ILE A 23 -9.590 -0.512 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.319 1.514 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.232 0.772 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.336 -1.248 -7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.558 -0.547 -9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.362 1.549 -9.421 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.944 2.860 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.680 2.116 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.427 -1.723 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.157 0.019 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.931 -0.694 -7.698 1.00 0.00 H new ATOM 372 N GLU A 24 -10.495 2.792 -5.026 1.00 0.00 N ATOM 373 CA GLU A 24 -10.850 4.064 -4.398 1.00 0.00 C ATOM 374 C GLU A 24 -9.613 4.751 -3.826 1.00 0.00 C ATOM 375 O GLU A 24 -9.395 5.943 -4.046 1.00 0.00 O ATOM 376 CB GLU A 24 -11.878 3.824 -3.283 1.00 0.00 C ATOM 377 CG GLU A 24 -12.457 5.139 -2.745 1.00 0.00 C ATOM 378 CD GLU A 24 -13.532 4.879 -1.672 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.170 4.717 -0.482 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.739 4.843 -2.008 1.00 0.00 O ATOM 0 H GLU A 24 -10.971 1.980 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.284 4.715 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.687 3.200 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.408 3.274 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.656 5.745 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.890 5.711 -3.566 1.00 0.00 H new ATOM 387 N ASN A 25 -8.777 3.998 -3.114 1.00 0.00 N ATOM 388 CA ASN A 25 -7.614 4.574 -2.454 1.00 0.00 C ATOM 389 C ASN A 25 -6.522 4.897 -3.472 1.00 0.00 C ATOM 390 O ASN A 25 -5.826 5.901 -3.339 1.00 0.00 O ATOM 391 CB ASN A 25 -7.097 3.617 -1.384 1.00 0.00 C ATOM 392 CG ASN A 25 -5.997 4.256 -0.547 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.081 5.419 -0.158 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.963 3.500 -0.225 1.00 0.00 N ATOM 0 H ASN A 25 -8.885 2.992 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.907 5.507 -1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.920 3.316 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.716 2.712 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.216 3.879 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.912 2.537 -0.558 1.00 0.00 H new ATOM 401 N VAL A 26 -6.422 4.113 -4.545 1.00 0.00 N ATOM 402 CA VAL A 26 -5.575 4.404 -5.683 1.00 0.00 C ATOM 403 C VAL A 26 -6.005 5.745 -6.274 1.00 0.00 C ATOM 404 O VAL A 26 -5.175 6.646 -6.366 1.00 0.00 O ATOM 405 CB VAL A 26 -5.679 3.223 -6.659 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.140 3.550 -8.048 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.988 1.967 -6.121 1.00 0.00 C ATOM 0 H VAL A 26 -6.942 3.241 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.523 4.508 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.746 3.023 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.241 2.677 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.705 4.380 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.088 3.827 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.088 1.158 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.931 2.176 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.452 1.671 -5.180 1.00 0.00 H new ATOM 417 N LYS A 27 -7.287 5.947 -6.607 1.00 0.00 N ATOM 418 CA LYS A 27 -7.745 7.240 -7.116 1.00 0.00 C ATOM 419 C LYS A 27 -7.435 8.365 -6.133 1.00 0.00 C ATOM 420 O LYS A 27 -7.106 9.464 -6.575 1.00 0.00 O ATOM 421 CB LYS A 27 -9.266 7.264 -7.346 1.00 0.00 C ATOM 422 CG LYS A 27 -9.870 6.413 -8.473 1.00 0.00 C ATOM 423 CD LYS A 27 -11.344 6.845 -8.586 1.00 0.00 C ATOM 424 CE LYS A 27 -12.210 5.930 -9.444 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.636 6.377 -9.391 1.00 0.00 N ATOM 0 H LYS A 27 -8.016 5.238 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.217 7.386 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.743 6.960 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.553 8.300 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.342 6.577 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.791 5.350 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.772 6.895 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.383 7.853 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.855 5.941 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.129 4.902 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.071 6.261 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.154 5.803 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.676 7.378 -9.113 1.00 0.00 H new ATOM 439 N ALA A 28 -7.531 8.129 -4.825 1.00 0.00 N ATOM 440 CA ALA A 28 -7.228 9.152 -3.832 1.00 0.00 C ATOM 441 C ALA A 28 -5.744 9.518 -3.875 1.00 0.00 C ATOM 442 O ALA A 28 -5.396 10.685 -3.718 1.00 0.00 O ATOM 443 CB ALA A 28 -7.648 8.681 -2.435 1.00 0.00 C ATOM 0 H ALA A 28 -7.818 7.233 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.798 10.050 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.415 9.456 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.720 8.483 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.108 7.769 -2.181 1.00 0.00 H new ATOM 449 N LYS A 29 -4.859 8.565 -4.179 1.00 0.00 N ATOM 450 CA LYS A 29 -3.450 8.880 -4.419 1.00 0.00 C ATOM 451 C LYS A 29 -3.318 9.670 -5.713 1.00 0.00 C ATOM 452 O LYS A 29 -2.516 10.584 -5.782 1.00 0.00 O ATOM 453 CB LYS A 29 -2.614 7.599 -4.451 1.00 0.00 C ATOM 454 CG LYS A 29 -2.552 6.963 -3.058 1.00 0.00 C ATOM 455 CD LYS A 29 -1.952 5.557 -3.132 1.00 0.00 C ATOM 456 CE LYS A 29 -1.821 4.957 -1.726 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.437 5.073 -1.182 1.00 0.00 N ATOM 0 H LYS A 29 -5.092 7.576 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.070 9.495 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.046 6.893 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.606 7.824 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.952 7.586 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.553 6.915 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.583 4.918 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.973 5.597 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.516 5.460 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.110 3.906 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.389 4.608 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.232 4.614 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.187 6.077 -1.080 1.00 0.00 H new ATOM 471 N ILE A 30 -4.140 9.411 -6.732 1.00 0.00 N ATOM 472 CA ILE A 30 -4.121 10.261 -7.924 1.00 0.00 C ATOM 473 C ILE A 30 -4.535 11.681 -7.575 1.00 0.00 C ATOM 474 O ILE A 30 -3.952 12.603 -8.089 1.00 0.00 O ATOM 475 CB ILE A 30 -4.987 9.722 -9.071 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.847 8.227 -9.349 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.646 10.509 -10.341 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.423 7.742 -9.509 1.00 0.00 C ATOM 0 H ILE A 30 -4.810 8.642 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.092 10.258 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.023 9.857 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.315 7.675 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.402 7.987 -10.256 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.251 10.142 -11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.854 11.567 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.590 10.379 -10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.424 6.669 -9.703 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.953 8.262 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.865 7.945 -8.595 1.00 0.00 H new ATOM 490 N GLN A 31 -5.494 11.897 -6.693 1.00 0.00 N ATOM 491 CA GLN A 31 -5.868 13.221 -6.204 1.00 0.00 C ATOM 492 C GLN A 31 -4.667 13.893 -5.538 1.00 0.00 C ATOM 493 O GLN A 31 -4.453 15.079 -5.738 1.00 0.00 O ATOM 494 CB GLN A 31 -7.049 13.130 -5.231 1.00 0.00 C ATOM 495 CG GLN A 31 -7.660 14.491 -4.825 1.00 0.00 C ATOM 496 CD GLN A 31 -8.027 14.500 -3.337 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.200 14.807 -2.484 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.257 14.148 -2.992 1.00 0.00 N ATOM 0 H GLN A 31 -6.049 11.144 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.181 13.829 -7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.829 12.518 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.720 12.612 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.949 15.291 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.548 14.689 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.935 13.895 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.525 14.130 -2.008 1.00 0.00 H new ATOM 507 N ASP A 32 -3.846 13.133 -4.817 1.00 0.00 N ATOM 508 CA ASP A 32 -2.592 13.664 -4.283 1.00 0.00 C ATOM 509 C ASP A 32 -1.642 14.080 -5.412 1.00 0.00 C ATOM 510 O ASP A 32 -0.975 15.114 -5.297 1.00 0.00 O ATOM 511 CB ASP A 32 -1.907 12.663 -3.347 1.00 0.00 C ATOM 512 CG ASP A 32 -0.478 13.117 -2.995 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.314 13.895 -2.023 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.484 12.695 -3.685 1.00 0.00 O ATOM 0 H ASP A 32 -4.023 12.155 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.841 14.550 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.493 12.556 -2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.873 11.682 -3.821 1.00 0.00 H new ATOM 519 N LYS A 33 -1.596 13.326 -6.520 1.00 0.00 N ATOM 520 CA LYS A 33 -0.568 13.519 -7.538 1.00 0.00 C ATOM 521 C LYS A 33 -1.004 14.484 -8.645 1.00 0.00 C ATOM 522 O LYS A 33 -0.172 15.168 -9.241 1.00 0.00 O ATOM 523 CB LYS A 33 -0.175 12.150 -8.095 1.00 0.00 C ATOM 524 CG LYS A 33 0.175 11.093 -7.013 1.00 0.00 C ATOM 525 CD LYS A 33 1.638 10.619 -7.002 1.00 0.00 C ATOM 526 CE LYS A 33 2.646 11.757 -6.811 1.00 0.00 C ATOM 527 NZ LYS A 33 2.708 12.245 -5.398 1.00 0.00 N ATOM 0 H LYS A 33 -2.260 12.580 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 33 0.300 13.990 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.995 11.770 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.683 12.273 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.062 11.509 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.469 10.225 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.770 9.889 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.853 10.107 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.635 11.415 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.379 12.587 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.139 13.191 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.746 12.293 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.282 11.590 -4.829 1.00 0.00 H new ATOM 541 N GLU A 34 -2.310 14.575 -8.870 1.00 0.00 N ATOM 542 CA GLU A 34 -2.951 15.239 -9.996 1.00 0.00 C ATOM 543 C GLU A 34 -3.930 16.323 -9.563 1.00 0.00 C ATOM 544 O GLU A 34 -4.045 17.350 -10.233 1.00 0.00 O ATOM 545 CB GLU A 34 -3.705 14.175 -10.812 1.00 0.00 C ATOM 546 CG GLU A 34 -2.769 13.124 -11.416 1.00 0.00 C ATOM 547 CD GLU A 34 -1.570 13.732 -12.157 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.761 14.600 -13.038 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.423 13.318 -11.876 1.00 0.00 O ATOM 0 H GLU A 34 -2.990 14.162 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.176 15.727 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.435 13.681 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.262 14.663 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.404 12.473 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.334 12.498 -12.106 1.00 0.00 H new ATOM 556 N GLY A 35 -4.636 16.107 -8.449 1.00 0.00 N ATOM 557 CA GLY A 35 -5.533 17.085 -7.839 1.00 0.00 C ATOM 558 C GLY A 35 -7.007 16.784 -8.104 1.00 0.00 C ATOM 559 O GLY A 35 -7.856 17.634 -7.844 1.00 0.00 O ATOM 0 H GLY A 35 -4.597 15.226 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.360 17.108 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.295 18.077 -8.222 1.00 0.00 H new ATOM 563 N ILE A 36 -7.332 15.588 -8.624 1.00 0.00 N ATOM 564 CA ILE A 36 -8.673 15.287 -9.119 1.00 0.00 C ATOM 565 C ILE A 36 -9.366 14.396 -8.091 1.00 0.00 C ATOM 566 O ILE A 36 -8.804 13.356 -7.763 1.00 0.00 O ATOM 567 CB ILE A 36 -8.544 14.560 -10.467 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.732 15.397 -11.484 1.00 0.00 C ATOM 569 CG2 ILE A 36 -9.940 14.262 -11.045 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.395 14.579 -12.722 1.00 0.00 C ATOM 0 H ILE A 36 -6.674 14.813 -8.710 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.258 16.195 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.013 13.625 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.303 16.279 -11.772 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.813 15.751 -11.017 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.836 13.747 -12.000 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.494 13.631 -10.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.479 15.197 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.824 15.192 -13.419 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.803 13.710 -12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.316 14.247 -13.201 1.00 0.00 H new ATOM 582 N PRO A 37 -10.581 14.722 -7.625 1.00 0.00 N ATOM 583 CA PRO A 37 -11.283 13.907 -6.644 1.00 0.00 C ATOM 584 C PRO A 37 -11.712 12.562 -7.234 1.00 0.00 C ATOM 585 O PRO A 37 -11.986 12.479 -8.429 1.00 0.00 O ATOM 586 CB PRO A 37 -12.474 14.749 -6.178 1.00 0.00 C ATOM 587 CG PRO A 37 -12.624 15.888 -7.187 1.00 0.00 C ATOM 588 CD PRO A 37 -11.355 15.879 -8.035 1.00 0.00 C ATOM 0 HA PRO A 37 -10.641 13.650 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.382 14.147 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.304 15.140 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.508 15.743 -7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.745 16.844 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.600 15.823 -9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.785 16.797 -7.887 1.00 0.00 H new ATOM 596 N PRO A 38 -11.834 11.501 -6.419 1.00 0.00 N ATOM 597 CA PRO A 38 -12.080 10.159 -6.930 1.00 0.00 C ATOM 598 C PRO A 38 -13.413 9.991 -7.626 1.00 0.00 C ATOM 599 O PRO A 38 -13.480 9.248 -8.601 1.00 0.00 O ATOM 600 CB PRO A 38 -11.981 9.224 -5.732 1.00 0.00 C ATOM 601 CG PRO A 38 -12.176 10.113 -4.506 1.00 0.00 C ATOM 602 CD PRO A 38 -11.636 11.466 -4.967 1.00 0.00 C ATOM 0 HA PRO A 38 -11.343 9.936 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.742 8.445 -5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.014 8.723 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.225 10.175 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.629 9.734 -3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.166 12.285 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.581 11.573 -4.713 1.00 0.00 H new ATOM 610 N ASP A 39 -14.457 10.686 -7.185 1.00 0.00 N ATOM 611 CA ASP A 39 -15.758 10.530 -7.832 1.00 0.00 C ATOM 612 C ASP A 39 -15.746 11.166 -9.217 1.00 0.00 C ATOM 613 O ASP A 39 -16.487 10.776 -10.117 1.00 0.00 O ATOM 614 CB ASP A 39 -16.870 11.137 -6.977 1.00 0.00 C ATOM 615 CG ASP A 39 -18.228 11.044 -7.700 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.637 9.913 -8.058 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.880 12.093 -7.907 1.00 0.00 O ATOM 0 H ASP A 39 -14.433 11.344 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.955 9.464 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.925 10.616 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.639 12.180 -6.759 1.00 0.00 H new ATOM 622 N GLN A 40 -14.833 12.117 -9.411 1.00 0.00 N ATOM 623 CA GLN A 40 -14.679 12.865 -10.654 1.00 0.00 C ATOM 624 C GLN A 40 -13.678 12.178 -11.585 1.00 0.00 C ATOM 625 O GLN A 40 -13.532 12.578 -12.734 1.00 0.00 O ATOM 626 CB GLN A 40 -14.244 14.279 -10.236 1.00 0.00 C ATOM 627 CG GLN A 40 -14.154 15.286 -11.387 1.00 0.00 C ATOM 628 CD GLN A 40 -14.250 16.731 -10.897 1.00 0.00 C ATOM 629 OE1 GLN A 40 -13.256 17.450 -10.830 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.440 17.182 -10.545 1.00 0.00 N ATOM 0 H GLN A 40 -14.166 12.394 -8.691 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.605 12.912 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.948 14.657 -9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.271 14.216 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.212 15.146 -11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.954 15.092 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.255 16.572 -10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.544 18.140 -10.211 1.00 0.00 H new ATOM 639 N GLN A 41 -13.018 11.115 -11.143 1.00 0.00 N ATOM 640 CA GLN A 41 -11.888 10.502 -11.811 1.00 0.00 C ATOM 641 C GLN A 41 -12.284 9.068 -12.142 1.00 0.00 C ATOM 642 O GLN A 41 -12.887 8.414 -11.298 1.00 0.00 O ATOM 643 CB GLN A 41 -10.798 10.591 -10.735 1.00 0.00 C ATOM 644 CG GLN A 41 -9.376 10.209 -11.121 1.00 0.00 C ATOM 645 CD GLN A 41 -8.574 9.846 -9.875 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.034 8.756 -9.808 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.500 10.683 -8.851 1.00 0.00 N ATOM 0 H GLN A 41 -13.269 10.641 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.562 10.957 -12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.779 11.616 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.099 9.956 -9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.392 9.365 -11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.897 11.038 -11.642 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.951 11.596 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.992 10.414 -8.009 1.00 0.00 H new ATOM 656 N ARG A 42 -11.931 8.534 -13.317 1.00 0.00 N ATOM 657 CA ARG A 42 -12.164 7.101 -13.595 1.00 0.00 C ATOM 658 C ARG A 42 -10.842 6.406 -13.843 1.00 0.00 C ATOM 659 O ARG A 42 -9.861 7.038 -14.219 1.00 0.00 O ATOM 660 CB ARG A 42 -13.138 6.883 -14.772 1.00 0.00 C ATOM 661 CG ARG A 42 -14.472 6.286 -14.293 1.00 0.00 C ATOM 662 CD ARG A 42 -15.610 6.427 -15.316 1.00 0.00 C ATOM 663 NE ARG A 42 -16.894 5.936 -14.759 1.00 0.00 N ATOM 664 CZ ARG A 42 -18.039 5.749 -15.438 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.098 5.961 -16.743 1.00 0.00 N ATOM 666 NH2 ARG A 42 -19.137 5.376 -14.796 1.00 0.00 N ATOM 0 H ARG A 42 -11.493 9.053 -14.078 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.639 6.662 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.322 7.833 -15.275 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.682 6.218 -15.505 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.327 5.230 -14.066 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.767 6.774 -13.364 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.713 7.472 -15.608 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.364 5.867 -16.218 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.910 5.719 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.267 6.271 -17.247 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.974 5.815 -17.244 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.113 5.231 -13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -20.006 5.234 -15.311 1.00 0.00 H new ATOM 680 N LEU A 43 -10.860 5.091 -13.663 1.00 0.00 N ATOM 681 CA LEU A 43 -9.680 4.252 -13.719 1.00 0.00 C ATOM 682 C LEU A 43 -9.989 3.106 -14.653 1.00 0.00 C ATOM 683 O LEU A 43 -10.974 2.396 -14.485 1.00 0.00 O ATOM 684 CB LEU A 43 -9.349 3.749 -12.300 1.00 0.00 C ATOM 685 CG LEU A 43 -7.875 3.899 -11.926 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.449 5.369 -11.883 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.653 3.282 -10.542 1.00 0.00 C ATOM 0 H LEU A 43 -11.716 4.572 -13.470 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.812 4.798 -14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.956 4.297 -11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.630 2.699 -12.221 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.278 3.392 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.395 5.435 -11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.602 5.821 -12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.047 5.899 -11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.604 3.382 -10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.274 3.798 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.922 2.226 -10.567 1.00 0.00 H new ATOM 699 N ILE A 44 -9.132 2.944 -15.638 1.00 0.00 N ATOM 700 CA ILE A 44 -9.168 1.877 -16.635 1.00 0.00 C ATOM 701 C ILE A 44 -7.894 1.062 -16.494 1.00 0.00 C ATOM 702 O ILE A 44 -6.859 1.588 -16.100 1.00 0.00 O ATOM 703 CB ILE A 44 -9.378 2.507 -18.043 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.757 3.201 -18.061 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.284 1.588 -19.279 1.00 0.00 C ATOM 706 CD1 ILE A 44 -10.630 4.707 -17.886 1.00 0.00 C ATOM 0 H ILE A 44 -8.348 3.582 -15.779 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.002 1.191 -16.487 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.527 3.179 -18.155 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.261 2.985 -19.003 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.380 2.793 -17.265 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.453 2.174 -20.182 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.294 1.135 -19.321 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.039 0.805 -19.208 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.621 5.160 -17.904 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.149 4.923 -16.932 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.028 5.118 -18.697 1.00 0.00 H new ATOM 718 N PHE A 45 -7.962 -0.210 -16.867 1.00 0.00 N ATOM 719 CA PHE A 45 -6.797 -1.066 -16.988 1.00 0.00 C ATOM 720 C PHE A 45 -6.971 -1.860 -18.263 1.00 0.00 C ATOM 721 O PHE A 45 -8.007 -2.484 -18.443 1.00 0.00 O ATOM 722 CB PHE A 45 -6.725 -1.995 -15.774 1.00 0.00 C ATOM 723 CG PHE A 45 -5.635 -3.045 -15.846 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.298 -2.657 -16.035 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.952 -4.407 -15.704 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.272 -3.619 -16.030 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.930 -5.370 -15.690 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.590 -4.977 -15.832 1.00 0.00 C ATOM 0 H PHE A 45 -8.839 -0.678 -17.096 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.872 -0.490 -17.024 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.571 -1.391 -14.880 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.686 -2.496 -15.659 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.057 -1.615 -16.185 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.983 -4.713 -15.606 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.245 -3.318 -16.177 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.175 -6.415 -15.570 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.803 -5.715 -15.789 1.00 0.00 H new ATOM 738 N ALA A 46 -5.979 -1.819 -19.149 1.00 0.00 N ATOM 739 CA ALA A 46 -5.878 -2.684 -20.323 1.00 0.00 C ATOM 740 C ALA A 46 -7.179 -2.809 -21.126 1.00 0.00 C ATOM 741 O ALA A 46 -7.589 -3.889 -21.556 1.00 0.00 O ATOM 742 CB ALA A 46 -5.304 -4.021 -19.871 1.00 0.00 C ATOM 0 H ALA A 46 -5.201 -1.165 -19.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.202 -2.225 -21.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.217 -4.688 -20.729 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.319 -3.864 -19.432 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.965 -4.468 -19.129 1.00 0.00 H new ATOM 748 N GLY A 47 -7.823 -1.661 -21.298 1.00 0.00 N ATOM 749 CA GLY A 47 -9.004 -1.513 -22.143 1.00 0.00 C ATOM 750 C GLY A 47 -10.303 -1.857 -21.415 1.00 0.00 C ATOM 751 O GLY A 47 -11.282 -2.213 -22.067 1.00 0.00 O ATOM 0 H GLY A 47 -7.536 -0.792 -20.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.058 -0.487 -22.507 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.902 -2.156 -23.017 1.00 0.00 H new ATOM 755 N LYS A 48 -10.341 -1.753 -20.075 1.00 0.00 N ATOM 756 CA LYS A 48 -11.552 -2.004 -19.277 1.00 0.00 C ATOM 757 C LYS A 48 -11.583 -1.052 -18.111 1.00 0.00 C ATOM 758 O LYS A 48 -10.527 -0.623 -17.686 1.00 0.00 O ATOM 759 CB LYS A 48 -11.607 -3.488 -18.839 1.00 0.00 C ATOM 760 CG LYS A 48 -10.877 -3.805 -17.512 1.00 0.00 C ATOM 761 CD LYS A 48 -10.341 -5.244 -17.443 1.00 0.00 C ATOM 762 CE LYS A 48 -9.145 -5.440 -18.396 1.00 0.00 C ATOM 763 NZ LYS A 48 -8.660 -6.849 -18.416 1.00 0.00 N ATOM 0 H LYS A 48 -9.530 -1.492 -19.514 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.444 -1.823 -19.876 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.651 -3.784 -18.741 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.174 -4.101 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.048 -3.109 -17.386 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.561 -3.639 -16.680 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.037 -5.473 -16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.135 -5.944 -17.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.435 -5.144 -19.404 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.330 -4.782 -18.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.856 -6.930 -19.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.358 -7.126 -17.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.428 -7.476 -18.731 1.00 0.00 H new ATOM 777 N GLN A 49 -12.730 -0.708 -17.570 1.00 0.00 N ATOM 778 CA GLN A 49 -12.836 0.147 -16.403 1.00 0.00 C ATOM 779 C GLN A 49 -12.829 -0.721 -15.145 1.00 0.00 C ATOM 780 O GLN A 49 -13.347 -1.839 -15.159 1.00 0.00 O ATOM 781 CB GLN A 49 -14.145 0.935 -16.528 1.00 0.00 C ATOM 782 CG GLN A 49 -14.159 2.206 -15.674 1.00 0.00 C ATOM 783 CD GLN A 49 -15.590 2.590 -15.303 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.328 3.129 -16.120 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.005 2.317 -14.073 1.00 0.00 N ATOM 0 H GLN A 49 -13.632 -1.018 -17.932 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.998 0.841 -16.335 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.303 1.203 -17.573 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.977 0.296 -16.233 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.573 2.048 -14.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.688 3.023 -16.221 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.374 1.868 -13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.956 2.556 -13.791 1.00 0.00 H new ATOM 794 N LEU A 50 -12.272 -0.183 -14.061 1.00 0.00 N ATOM 795 CA LEU A 50 -12.370 -0.789 -12.738 1.00 0.00 C ATOM 796 C LEU A 50 -13.514 -0.112 -11.971 1.00 0.00 C ATOM 797 O LEU A 50 -14.078 0.866 -12.466 1.00 0.00 O ATOM 798 CB LEU A 50 -11.038 -0.625 -11.982 1.00 0.00 C ATOM 799 CG LEU A 50 -9.724 -1.187 -12.578 1.00 0.00 C ATOM 800 CD1 LEU A 50 -9.868 -2.139 -13.769 1.00 0.00 C ATOM 801 CD2 LEU A 50 -8.765 -0.061 -12.966 1.00 0.00 C ATOM 0 H LEU A 50 -11.740 0.687 -14.078 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.577 -1.855 -12.830 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.888 0.443 -11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.167 -1.080 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.326 -1.790 -11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.880 -2.464 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.456 -3.007 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.370 -1.624 -14.588 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.852 -0.488 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.238 0.579 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.521 0.529 -12.083 1.00 0.00 H new ATOM 813 N GLU A 51 -13.821 -0.559 -10.747 1.00 0.00 N ATOM 814 CA GLU A 51 -14.738 0.160 -9.861 1.00 0.00 C ATOM 815 C GLU A 51 -14.085 0.359 -8.493 1.00 0.00 C ATOM 816 O GLU A 51 -13.192 -0.391 -8.107 1.00 0.00 O ATOM 817 CB GLU A 51 -16.136 -0.487 -9.841 1.00 0.00 C ATOM 818 CG GLU A 51 -16.189 -1.835 -9.120 1.00 0.00 C ATOM 819 CD GLU A 51 -17.589 -2.488 -9.150 1.00 0.00 C ATOM 820 OE1 GLU A 51 -18.231 -2.549 -10.228 1.00 0.00 O ATOM 821 OE2 GLU A 51 -18.045 -2.984 -8.090 1.00 0.00 O ATOM 0 H GLU A 51 -13.445 -1.419 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.925 1.161 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.835 0.198 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.477 -0.622 -10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.469 -2.513 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.882 -1.697 -8.083 1.00 0.00 H new ATOM 828 N ASP A 52 -14.521 1.390 -7.770 1.00 0.00 N ATOM 829 CA ASP A 52 -13.871 1.885 -6.551 1.00 0.00 C ATOM 830 C ASP A 52 -13.756 0.821 -5.469 1.00 0.00 C ATOM 831 O ASP A 52 -12.759 0.777 -4.747 1.00 0.00 O ATOM 832 CB ASP A 52 -14.628 3.109 -6.014 1.00 0.00 C ATOM 833 CG ASP A 52 -14.225 4.390 -6.748 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.014 4.692 -6.792 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.087 5.067 -7.353 1.00 0.00 O ATOM 0 H ASP A 52 -15.357 1.919 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.854 2.168 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.701 2.950 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.428 3.222 -4.948 1.00 0.00 H new ATOM 840 N GLY A 53 -14.751 -0.064 -5.392 1.00 0.00 N ATOM 841 CA GLY A 53 -14.857 -1.098 -4.370 1.00 0.00 C ATOM 842 C GLY A 53 -13.976 -2.323 -4.624 1.00 0.00 C ATOM 843 O GLY A 53 -14.111 -3.323 -3.914 1.00 0.00 O ATOM 0 H GLY A 53 -15.524 -0.079 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.592 -0.667 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.896 -1.420 -4.301 1.00 0.00 H new ATOM 847 N ARG A 54 -13.100 -2.284 -5.634 1.00 0.00 N ATOM 848 CA ARG A 54 -12.278 -3.419 -6.057 1.00 0.00 C ATOM 849 C ARG A 54 -10.824 -3.092 -5.800 1.00 0.00 C ATOM 850 O ARG A 54 -10.525 -2.013 -5.304 1.00 0.00 O ATOM 851 CB ARG A 54 -12.575 -3.688 -7.533 1.00 0.00 C ATOM 852 CG ARG A 54 -14.018 -4.128 -7.811 1.00 0.00 C ATOM 853 CD ARG A 54 -14.485 -5.380 -7.083 1.00 0.00 C ATOM 854 NE ARG A 54 -15.815 -5.797 -7.558 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.073 -6.596 -8.603 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.095 -7.144 -9.319 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.339 -6.843 -8.934 1.00 0.00 N ATOM 0 H ARG A 54 -12.941 -1.444 -6.191 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.506 -4.325 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.365 -2.784 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.895 -4.459 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.685 -3.307 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.127 -4.293 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.769 -6.186 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.520 -5.190 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.620 -5.443 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.121 -6.960 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.319 -7.748 -10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.098 -6.426 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.550 -7.449 -9.727 1.00 0.00 H new ATOM 871 N THR A 55 -9.905 -3.991 -6.122 1.00 0.00 N ATOM 872 CA THR A 55 -8.494 -3.816 -5.834 1.00 0.00 C ATOM 873 C THR A 55 -7.672 -4.126 -7.062 1.00 0.00 C ATOM 874 O THR A 55 -8.162 -4.701 -8.034 1.00 0.00 O ATOM 875 CB THR A 55 -8.083 -4.745 -4.698 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.395 -6.081 -5.054 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.722 -4.413 -3.359 1.00 0.00 C ATOM 0 H THR A 55 -10.122 -4.869 -6.594 1.00 0.00 H new ATOM 0 HA THR A 55 -8.319 -2.781 -5.539 1.00 0.00 H new ATOM 0 HB THR A 55 -7.010 -4.610 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.131 -6.683 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.377 -5.121 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.441 -3.402 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.807 -4.477 -3.448 1.00 0.00 H new ATOM 885 N LEU A 56 -6.389 -3.799 -7.001 1.00 0.00 N ATOM 886 CA LEU A 56 -5.473 -4.104 -8.098 1.00 0.00 C ATOM 887 C LEU A 56 -5.445 -5.614 -8.367 1.00 0.00 C ATOM 888 O LEU A 56 -5.600 -6.044 -9.510 1.00 0.00 O ATOM 889 CB LEU A 56 -4.082 -3.518 -7.785 1.00 0.00 C ATOM 890 CG LEU A 56 -4.096 -2.020 -7.446 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.676 -1.489 -7.320 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.810 -1.199 -8.528 1.00 0.00 C ATOM 0 H LEU A 56 -5.957 -3.324 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.821 -3.636 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.649 -4.065 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.430 -3.680 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.631 -1.918 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.705 -0.426 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.156 -2.026 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.149 -1.633 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.799 -0.145 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.298 -1.330 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.842 -1.539 -8.621 1.00 0.00 H new ATOM 904 N SER A 57 -5.360 -6.415 -7.309 1.00 0.00 N ATOM 905 CA SER A 57 -5.435 -7.868 -7.356 1.00 0.00 C ATOM 906 C SER A 57 -6.764 -8.368 -7.921 1.00 0.00 C ATOM 907 O SER A 57 -6.762 -9.407 -8.583 1.00 0.00 O ATOM 908 CB SER A 57 -5.255 -8.434 -5.948 1.00 0.00 C ATOM 909 OG SER A 57 -3.884 -8.532 -5.630 1.00 0.00 O ATOM 0 H SER A 57 -5.233 -6.055 -6.363 1.00 0.00 H new ATOM 0 HA SER A 57 -4.640 -8.209 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.758 -7.793 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.722 -9.417 -5.882 1.00 0.00 H new ATOM 0 HG SER A 57 -3.783 -8.894 -4.725 1.00 0.00 H new ATOM 915 N ASP A 58 -7.879 -7.655 -7.726 1.00 0.00 N ATOM 916 CA ASP A 58 -9.162 -8.078 -8.292 1.00 0.00 C ATOM 917 C ASP A 58 -9.115 -8.064 -9.828 1.00 0.00 C ATOM 918 O ASP A 58 -9.819 -8.832 -10.492 1.00 0.00 O ATOM 919 CB ASP A 58 -10.285 -7.175 -7.795 1.00 0.00 C ATOM 920 CG ASP A 58 -11.651 -7.720 -8.246 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.063 -8.793 -7.742 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.340 -7.056 -9.051 1.00 0.00 O ATOM 0 H ASP A 58 -7.918 -6.791 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.357 -9.099 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.253 -7.110 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.145 -6.165 -8.179 1.00 0.00 H new ATOM 927 N TYR A 59 -8.212 -7.245 -10.376 1.00 0.00 N ATOM 928 CA TYR A 59 -7.930 -7.112 -11.801 1.00 0.00 C ATOM 929 C TYR A 59 -6.588 -7.749 -12.196 1.00 0.00 C ATOM 930 O TYR A 59 -6.149 -7.604 -13.336 1.00 0.00 O ATOM 931 CB TYR A 59 -8.037 -5.634 -12.174 1.00 0.00 C ATOM 932 CG TYR A 59 -9.424 -5.088 -11.929 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.493 -5.487 -12.758 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.660 -4.242 -10.829 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.796 -5.029 -12.499 1.00 0.00 C ATOM 936 CE2 TYR A 59 -10.962 -3.800 -10.560 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.033 -4.180 -11.396 1.00 0.00 C ATOM 938 OH TYR A 59 -13.276 -3.671 -11.161 1.00 0.00 O ATOM 0 H TYR A 59 -7.632 -6.629 -9.807 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.668 -7.671 -12.377 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.314 -5.060 -11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.777 -5.505 -13.225 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.310 -6.146 -13.594 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.841 -3.935 -10.195 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.613 -5.325 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.147 -3.164 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.910 -4.406 -11.026 1.00 0.00 H new ATOM 948 N ASN A 60 -5.957 -8.480 -11.269 1.00 0.00 N ATOM 949 CA ASN A 60 -4.687 -9.198 -11.429 1.00 0.00 C ATOM 950 C ASN A 60 -3.528 -8.274 -11.828 1.00 0.00 C ATOM 951 O ASN A 60 -2.520 -8.723 -12.378 1.00 0.00 O ATOM 952 CB ASN A 60 -4.835 -10.426 -12.353 1.00 0.00 C ATOM 953 CG ASN A 60 -5.925 -11.388 -11.896 1.00 0.00 C ATOM 954 OD1 ASN A 60 -6.980 -11.493 -12.522 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.715 -12.105 -10.799 1.00 0.00 N ATOM 0 H ASN A 60 -6.343 -8.593 -10.331 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.417 -9.586 -10.447 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.058 -10.087 -13.365 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.884 -10.957 -12.397 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.431 -12.751 -10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.837 -12.010 -10.288 1.00 0.00 H new ATOM 962 N ILE A 61 -3.670 -6.976 -11.549 1.00 0.00 N ATOM 963 CA ILE A 61 -2.614 -5.977 -11.647 1.00 0.00 C ATOM 964 C ILE A 61 -1.590 -6.334 -10.565 1.00 0.00 C ATOM 965 O ILE A 61 -1.959 -6.776 -9.472 1.00 0.00 O ATOM 966 CB ILE A 61 -3.246 -4.591 -11.407 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.258 -4.221 -12.505 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.204 -3.466 -11.271 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.282 -3.199 -12.021 1.00 0.00 C ATOM 0 H ILE A 61 -4.558 -6.582 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.125 -5.956 -12.621 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.769 -4.679 -10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.726 -3.820 -13.368 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.775 -5.121 -12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.713 -2.517 -11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.547 -3.679 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.613 -3.405 -12.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.976 -2.968 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.834 -3.609 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.769 -2.288 -11.712 1.00 0.00 H new ATOM 981 N GLN A 62 -0.313 -6.103 -10.855 1.00 0.00 N ATOM 982 CA GLN A 62 0.805 -6.372 -9.964 1.00 0.00 C ATOM 983 C GLN A 62 1.648 -5.095 -9.855 1.00 0.00 C ATOM 984 O GLN A 62 1.220 -4.016 -10.262 1.00 0.00 O ATOM 985 CB GLN A 62 1.606 -7.578 -10.509 1.00 0.00 C ATOM 986 CG GLN A 62 0.742 -8.837 -10.698 1.00 0.00 C ATOM 987 CD GLN A 62 1.553 -10.024 -11.230 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.556 -10.428 -10.647 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.145 -10.603 -12.351 1.00 0.00 N ATOM 0 H GLN A 62 -0.021 -5.709 -11.749 1.00 0.00 H new ATOM 0 HA GLN A 62 0.470 -6.639 -8.962 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.057 -7.306 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.423 -7.804 -9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.286 -9.109 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.071 -8.616 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.311 -10.260 -12.828 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.665 -11.391 -12.737 1.00 0.00 H new ATOM 998 N LYS A 63 2.839 -5.191 -9.273 1.00 0.00 N ATOM 999 CA LYS A 63 3.849 -4.148 -9.271 1.00 0.00 C ATOM 1000 C LYS A 63 4.256 -3.789 -10.684 1.00 0.00 C ATOM 1001 O LYS A 63 4.119 -4.588 -11.608 1.00 0.00 O ATOM 1002 CB LYS A 63 5.062 -4.664 -8.476 1.00 0.00 C ATOM 1003 CG LYS A 63 5.630 -5.999 -8.991 1.00 0.00 C ATOM 1004 CD LYS A 63 6.889 -5.908 -9.854 1.00 0.00 C ATOM 1005 CE LYS A 63 8.154 -5.684 -8.999 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.404 -5.705 -9.808 1.00 0.00 N ATOM 0 H LYS A 63 3.134 -6.029 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 63 3.450 -3.245 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.849 -3.911 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.774 -4.783 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.849 -6.633 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.854 -6.502 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.000 -6.824 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.783 -5.091 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.075 -4.726 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.210 -6.455 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.227 -5.635 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.455 -6.594 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.404 -4.901 -10.468 1.00 0.00 H new ATOM 1020 N GLU A 64 4.836 -2.597 -10.784 1.00 0.00 N ATOM 1021 CA GLU A 64 5.364 -1.976 -11.986 1.00 0.00 C ATOM 1022 C GLU A 64 4.434 -2.261 -13.165 1.00 0.00 C ATOM 1023 O GLU A 64 4.843 -2.751 -14.220 1.00 0.00 O ATOM 1024 CB GLU A 64 6.834 -2.366 -12.197 1.00 0.00 C ATOM 1025 CG GLU A 64 7.705 -1.895 -11.025 1.00 0.00 C ATOM 1026 CD GLU A 64 9.198 -2.160 -11.275 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.610 -3.347 -11.258 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.959 -1.176 -11.443 1.00 0.00 O ATOM 0 H GLU A 64 4.956 -2.000 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 64 5.382 -0.891 -11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.915 -3.448 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.200 -1.927 -13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.548 -0.829 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.394 -2.406 -10.114 1.00 0.00 H new ATOM 1035 N SER A 65 3.146 -1.988 -12.927 1.00 0.00 N ATOM 1036 CA SER A 65 2.082 -2.271 -13.893 1.00 0.00 C ATOM 1037 C SER A 65 1.384 -0.963 -14.223 1.00 0.00 C ATOM 1038 O SER A 65 1.313 -0.074 -13.375 1.00 0.00 O ATOM 1039 CB SER A 65 1.107 -3.321 -13.351 1.00 0.00 C ATOM 1040 OG SER A 65 1.723 -4.590 -13.211 1.00 0.00 O ATOM 0 H SER A 65 2.814 -1.565 -12.060 1.00 0.00 H new ATOM 0 HA SER A 65 2.505 -2.693 -14.804 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.723 -2.995 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.252 -3.404 -14.022 1.00 0.00 H new ATOM 0 HG SER A 65 2.518 -4.507 -12.644 1.00 0.00 H new ATOM 1046 N THR A 66 0.870 -0.849 -15.438 1.00 0.00 N ATOM 1047 CA THR A 66 0.366 0.409 -15.973 1.00 0.00 C ATOM 1048 C THR A 66 -1.158 0.406 -15.934 1.00 0.00 C ATOM 1049 O THR A 66 -1.804 -0.606 -16.196 1.00 0.00 O ATOM 1050 CB THR A 66 0.924 0.675 -17.392 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.323 0.432 -17.396 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.670 2.099 -17.908 1.00 0.00 C ATOM 0 H THR A 66 0.790 -1.632 -16.086 1.00 0.00 H new ATOM 0 HA THR A 66 0.714 1.233 -15.350 1.00 0.00 H new ATOM 0 HB THR A 66 0.392 -0.001 -18.061 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.681 0.598 -18.293 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.091 2.204 -18.908 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.403 2.287 -17.945 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.141 2.818 -17.238 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.718 1.568 -15.622 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.135 1.867 -15.520 1.00 0.00 C ATOM 1062 C LEU A 67 -3.468 3.044 -16.429 1.00 0.00 C ATOM 1063 O LEU A 67 -2.561 3.693 -16.935 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.405 2.241 -14.052 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.562 1.486 -13.417 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.255 -0.003 -13.324 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.809 2.011 -12.011 1.00 0.00 C ATOM 0 H LEU A 67 -1.146 2.387 -15.418 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.746 1.017 -15.822 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.502 2.055 -13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.608 3.310 -13.993 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.442 1.636 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.098 -0.520 -12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.083 -0.402 -14.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.363 -0.153 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.639 1.467 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.912 1.870 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.053 3.072 -12.057 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.749 3.381 -16.554 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.205 4.523 -17.352 1.00 0.00 C ATOM 1081 C HIS A 68 -6.096 5.418 -16.484 1.00 0.00 C ATOM 1082 O HIS A 68 -6.940 4.892 -15.757 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.967 3.983 -18.577 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.134 3.825 -19.823 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.347 2.746 -20.179 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.111 4.698 -20.871 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.864 2.979 -21.413 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.290 4.167 -21.868 1.00 0.00 N ATOM 0 H HIS A 68 -5.507 2.868 -16.103 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.364 5.123 -17.699 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.398 3.015 -18.321 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.797 4.655 -18.795 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.165 1.921 -19.608 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.638 5.639 -20.921 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.223 2.304 -21.961 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.971 6.751 -16.574 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.696 7.693 -15.730 1.00 0.00 C ATOM 1097 C LEU A 69 -7.501 8.561 -16.671 1.00 0.00 C ATOM 1098 O LEU A 69 -6.908 9.180 -17.551 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.643 8.561 -15.029 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.059 9.474 -13.878 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.804 10.735 -14.310 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -6.843 8.684 -12.845 1.00 0.00 C ATOM 0 H LEU A 69 -5.353 7.204 -17.247 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.338 7.206 -14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.869 7.893 -14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.179 9.188 -15.790 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.137 9.843 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.061 11.325 -13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.168 11.325 -14.970 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.715 10.456 -14.839 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.135 9.343 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.735 8.263 -13.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.222 7.877 -12.456 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.807 8.665 -16.472 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.610 9.628 -17.222 1.00 0.00 C ATOM 1116 C VAL A 70 -10.289 10.543 -16.223 1.00 0.00 C ATOM 1117 O VAL A 70 -10.449 10.214 -15.050 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.623 8.936 -18.162 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -10.003 7.943 -19.149 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.720 8.184 -17.413 1.00 0.00 C ATOM 0 H VAL A 70 -9.332 8.101 -15.804 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.966 10.213 -17.878 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.038 9.779 -18.714 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.788 7.507 -19.767 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.286 8.462 -19.785 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.493 7.153 -18.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.398 7.721 -18.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.271 7.412 -16.788 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.276 8.881 -16.786 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.767 11.663 -16.729 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.631 12.577 -16.021 1.00 0.00 C ATOM 1132 C LEU A 71 -13.034 12.188 -16.440 1.00 0.00 C ATOM 1133 O LEU A 71 -13.280 12.002 -17.626 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.300 13.982 -16.527 1.00 0.00 C ATOM 1135 CG LEU A 71 -11.835 15.200 -15.767 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.107 15.701 -16.454 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.098 14.974 -14.278 1.00 0.00 C ATOM 0 H LEU A 71 -10.555 11.969 -17.679 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.521 12.549 -14.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.214 14.070 -16.563 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.659 14.053 -17.554 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.041 15.946 -15.802 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.493 16.568 -15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.879 15.982 -17.482 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.857 14.910 -16.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.474 15.894 -13.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.837 14.183 -14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.170 14.684 -13.785 1.00 0.00 H new ATOM 1149 N ARG A 72 -13.954 12.112 -15.491 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.337 11.723 -15.756 1.00 0.00 C ATOM 1151 C ARG A 72 -16.347 12.764 -15.308 1.00 0.00 C ATOM 1152 O ARG A 72 -17.505 12.420 -15.143 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.604 10.289 -15.240 1.00 0.00 C ATOM 1154 CG ARG A 72 -15.987 10.136 -13.742 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.437 9.645 -13.608 1.00 0.00 C ATOM 1156 NE ARG A 72 -17.906 9.529 -12.209 1.00 0.00 N ATOM 1157 CZ ARG A 72 -19.092 9.028 -11.823 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.953 8.546 -12.720 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -19.436 9.022 -10.546 1.00 0.00 N ATOM 0 H ARG A 72 -13.765 12.319 -14.510 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.482 11.689 -16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.405 9.857 -15.840 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.711 9.692 -15.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.311 9.431 -13.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.871 11.092 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.093 10.330 -14.145 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.527 8.673 -14.092 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.276 9.857 -11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.715 8.555 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.850 8.168 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.799 9.400 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.338 8.640 -10.263 1.00 0.00 H new ATOM 1331 N ILE B 683 -5.968 15.544 -21.046 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.386 14.622 -22.090 1.00 0.00 C ATOM 1333 C ILE B 683 -5.628 14.947 -23.391 1.00 0.00 C ATOM 1334 O ILE B 683 -5.311 16.105 -23.660 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.927 14.655 -22.242 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.797 15.050 -21.016 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.407 13.304 -22.743 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.890 14.085 -19.818 1.00 0.00 C ATOM 0 HA ILE B 683 -6.131 13.596 -21.824 1.00 0.00 H new ATOM 0 HB ILE B 683 -8.076 15.478 -22.940 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.423 16.003 -20.642 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.811 15.225 -21.376 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.491 13.321 -22.852 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.948 13.090 -23.708 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.126 12.530 -22.029 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.536 14.516 -19.053 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.305 13.133 -20.149 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.895 13.923 -19.403 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.329 13.915 -24.182 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.573 13.934 -25.435 1.00 0.00 C ATOM 1352 C ASP B 684 -5.080 12.774 -26.307 1.00 0.00 C ATOM 1353 O ASP B 684 -5.360 11.702 -25.756 1.00 0.00 O ATOM 1354 CB ASP B 684 -3.072 13.746 -25.169 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.285 13.578 -26.476 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.186 12.432 -26.984 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.765 14.593 -26.996 1.00 0.00 O ATOM 0 H ASP B 684 -5.633 12.971 -23.944 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.714 14.893 -25.933 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.688 14.606 -24.620 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.920 12.871 -24.537 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.236 12.953 -27.634 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.810 11.952 -28.520 1.00 0.00 C ATOM 1364 C PRO B 685 -5.234 10.539 -28.389 1.00 0.00 C ATOM 1365 O PRO B 685 -6.008 9.589 -28.353 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.596 12.484 -29.943 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.605 13.995 -29.757 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.979 14.182 -28.377 1.00 0.00 C ATOM 0 HA PRO B 685 -6.859 11.823 -28.252 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.653 12.136 -30.365 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.387 12.157 -30.618 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -5.028 14.499 -30.532 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.616 14.400 -29.798 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.908 14.369 -28.459 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.414 15.041 -27.867 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.912 10.357 -28.292 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.329 9.022 -28.397 1.00 0.00 C ATOM 1378 C GLN B 686 -3.768 8.121 -27.241 1.00 0.00 C ATOM 1379 O GLN B 686 -4.200 6.986 -27.469 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.797 9.117 -28.500 1.00 0.00 C ATOM 1381 CG GLN B 686 -1.094 7.756 -28.657 1.00 0.00 C ATOM 1382 CD GLN B 686 -1.539 6.971 -29.900 1.00 0.00 C ATOM 1383 OE1 GLN B 686 -0.976 7.124 -30.981 1.00 0.00 O ATOM 1384 NE2 GLN B 686 -2.559 6.130 -29.780 1.00 0.00 N ATOM 0 H GLN B 686 -3.237 11.107 -28.143 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.701 8.557 -29.310 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.539 9.748 -29.351 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.413 9.612 -27.608 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -0.017 7.917 -28.706 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -1.286 7.153 -27.769 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -3.019 6.011 -28.877 1.00 0.00 H new ATOM 0 HE22 GLN B 686 -2.883 5.602 -30.591 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.690 8.607 -26.000 1.00 0.00 N ATOM 1394 CA VAL B 687 -4.123 7.803 -24.858 1.00 0.00 C ATOM 1395 C VAL B 687 -5.642 7.633 -24.899 1.00 0.00 C ATOM 1396 O VAL B 687 -6.201 6.626 -24.466 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.718 8.471 -23.535 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.766 7.428 -22.418 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.321 9.096 -23.553 1.00 0.00 C ATOM 0 H VAL B 687 -3.338 9.535 -25.764 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.639 6.828 -24.917 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.426 9.283 -23.372 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.480 7.892 -21.474 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.777 7.030 -22.335 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.075 6.617 -22.648 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.111 9.546 -22.583 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.580 8.325 -23.763 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.275 9.863 -24.326 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.335 8.631 -25.423 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.776 8.630 -25.504 1.00 0.00 C ATOM 1411 C PHE B 688 -8.260 7.611 -26.548 1.00 0.00 C ATOM 1412 O PHE B 688 -9.351 7.062 -26.399 1.00 0.00 O ATOM 1413 CB PHE B 688 -8.185 10.072 -25.725 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.684 10.281 -25.877 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.572 10.001 -24.820 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -10.200 10.701 -27.121 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.959 10.189 -24.998 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.583 10.884 -27.295 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.462 10.643 -26.228 1.00 0.00 C ATOM 0 H PHE B 688 -5.902 9.471 -25.807 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.266 8.287 -24.593 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.830 10.671 -24.886 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.685 10.446 -26.618 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.192 9.643 -23.875 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.527 10.883 -27.946 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.638 9.983 -24.184 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.969 11.210 -28.250 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.522 10.806 -26.352 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.430 7.278 -27.541 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.657 6.175 -28.466 1.00 0.00 C ATOM 1431 C TYR B 689 -7.274 4.828 -27.822 1.00 0.00 C ATOM 1432 O TYR B 689 -7.849 3.801 -28.188 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.826 6.399 -29.741 1.00 0.00 C ATOM 1434 CG TYR B 689 -7.098 7.658 -30.557 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -8.355 8.306 -30.542 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.058 8.175 -31.360 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.564 9.464 -31.311 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.267 9.333 -32.136 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.525 9.981 -32.119 1.00 0.00 C ATOM 1440 OH TYR B 689 -7.744 11.096 -32.877 1.00 0.00 O ATOM 0 H TYR B 689 -6.563 7.783 -27.724 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.717 6.143 -28.717 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -5.774 6.405 -29.458 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -6.976 5.539 -30.393 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -9.157 7.910 -29.937 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.098 7.681 -31.380 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -9.522 9.961 -31.285 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -5.466 9.726 -32.744 1.00 0.00 H new ATOM 0 HH TYR B 689 -6.929 11.320 -33.372 1.00 0.00 H new ATOM 1450 N GLU B 690 -6.319 4.810 -26.880 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.962 3.615 -26.102 1.00 0.00 C ATOM 1452 C GLU B 690 -7.125 3.137 -25.208 1.00 0.00 C ATOM 1453 O GLU B 690 -7.283 1.938 -24.961 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.698 3.907 -25.281 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.896 2.647 -24.922 1.00 0.00 C ATOM 1456 CD GLU B 690 -3.311 1.952 -26.165 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -2.292 2.433 -26.714 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -3.858 0.909 -26.598 1.00 0.00 O ATOM 0 H GLU B 690 -5.768 5.633 -26.635 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.757 2.797 -26.792 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -4.058 4.587 -25.843 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.981 4.422 -24.363 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.086 2.916 -24.244 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -4.540 1.949 -24.388 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.962 4.073 -24.747 1.00 0.00 N ATOM 1466 CA LEU B 691 -9.213 3.821 -24.026 1.00 0.00 C ATOM 1467 C LEU B 691 -10.211 3.008 -24.881 1.00 0.00 C ATOM 1468 O LEU B 691 -10.245 3.195 -26.098 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.871 5.191 -23.728 1.00 0.00 C ATOM 1470 CG LEU B 691 -10.008 5.646 -22.280 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -10.911 4.763 -21.437 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -8.627 5.746 -21.625 1.00 0.00 C ATOM 0 H LEU B 691 -7.778 5.068 -24.872 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.983 3.258 -23.121 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -9.300 5.953 -24.260 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -10.870 5.178 -24.165 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.485 6.625 -22.319 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -10.956 5.154 -20.420 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -11.913 4.752 -21.866 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -10.513 3.748 -21.418 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -8.738 6.072 -20.591 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -8.142 4.770 -21.648 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -8.017 6.467 -22.169 1.00 0.00 H new ATOM 1484 N PRO B 692 -11.104 2.194 -24.278 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.243 1.575 -24.961 1.00 0.00 C ATOM 1486 C PRO B 692 -13.153 2.632 -25.581 1.00 0.00 C ATOM 1487 O PRO B 692 -13.199 3.766 -25.109 1.00 0.00 O ATOM 1488 CB PRO B 692 -13.028 0.843 -23.857 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.631 1.643 -22.609 1.00 0.00 C ATOM 1490 CD PRO B 692 -11.139 1.753 -22.898 1.00 0.00 C ATOM 0 HA PRO B 692 -11.905 0.916 -25.761 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -14.103 0.868 -24.034 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.742 -0.206 -23.779 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -13.126 2.612 -22.549 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.847 1.117 -21.679 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.651 2.467 -22.234 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -10.631 0.797 -22.767 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.965 2.229 -26.551 1.00 0.00 N ATOM 1499 CA GLU B 693 -15.003 3.058 -27.161 1.00 0.00 C ATOM 1500 C GLU B 693 -15.977 3.575 -26.089 1.00 0.00 C ATOM 1501 O GLU B 693 -16.300 4.758 -26.041 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.706 2.177 -28.217 1.00 0.00 C ATOM 1503 CG GLU B 693 -16.676 2.908 -29.149 1.00 0.00 C ATOM 1504 CD GLU B 693 -15.939 3.654 -30.276 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -15.680 3.042 -31.342 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -15.632 4.856 -30.111 1.00 0.00 O ATOM 0 H GLU B 693 -13.920 1.290 -26.948 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.584 3.945 -27.637 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -14.943 1.691 -28.825 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -16.252 1.388 -27.700 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -17.372 2.190 -29.584 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -17.269 3.617 -28.572 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.388 2.685 -25.181 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.431 2.914 -24.180 1.00 0.00 C ATOM 1515 C ALA B 694 -17.149 4.124 -23.286 1.00 0.00 C ATOM 1516 O ALA B 694 -17.935 5.068 -23.195 1.00 0.00 O ATOM 1517 CB ALA B 694 -17.500 1.653 -23.315 1.00 0.00 C ATOM 0 H ALA B 694 -15.987 1.749 -25.122 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.370 3.123 -24.693 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.267 1.777 -22.551 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -17.747 0.795 -23.941 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -16.535 1.487 -22.836 1.00 0.00 H new ATOM 1523 N VAL B 695 -15.997 4.100 -22.616 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.664 5.145 -21.660 1.00 0.00 C ATOM 1525 C VAL B 695 -15.370 6.426 -22.441 1.00 0.00 C ATOM 1526 O VAL B 695 -15.673 7.504 -21.935 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.520 4.699 -20.724 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.227 5.748 -19.642 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.791 3.362 -20.013 1.00 0.00 C ATOM 0 H VAL B 695 -15.288 3.374 -22.719 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.502 5.346 -20.992 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.663 4.577 -21.386 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.416 5.396 -19.004 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -13.936 6.686 -20.114 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.120 5.907 -19.038 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -13.945 3.112 -19.373 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.692 3.449 -19.406 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.928 2.576 -20.756 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.877 6.350 -23.688 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.721 7.559 -24.486 1.00 0.00 C ATOM 1541 C GLN B 696 -16.089 8.213 -24.704 1.00 0.00 C ATOM 1542 O GLN B 696 -16.193 9.425 -24.567 1.00 0.00 O ATOM 1543 CB GLN B 696 -14.089 7.302 -25.866 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.628 6.862 -25.852 1.00 0.00 C ATOM 1545 CD GLN B 696 -12.189 6.454 -27.266 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.263 7.236 -28.214 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.785 5.208 -27.464 1.00 0.00 N ATOM 0 H GLN B 696 -14.589 5.486 -24.148 1.00 0.00 H new ATOM 0 HA GLN B 696 -14.049 8.209 -23.926 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.675 6.538 -26.377 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -14.169 8.214 -26.458 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.999 7.674 -25.487 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.498 6.025 -25.166 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.724 4.561 -26.678 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.535 4.896 -28.402 1.00 0.00 H new ATOM 1556 N LYS B 697 -17.145 7.439 -25.018 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.500 7.993 -25.182 1.00 0.00 C ATOM 1558 C LYS B 697 -18.935 8.716 -23.913 1.00 0.00 C ATOM 1559 O LYS B 697 -19.503 9.802 -24.029 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.558 6.927 -25.551 1.00 0.00 C ATOM 1561 CG LYS B 697 -19.837 6.741 -27.054 1.00 0.00 C ATOM 1562 CD LYS B 697 -18.826 5.847 -27.788 1.00 0.00 C ATOM 1563 CE LYS B 697 -17.546 6.579 -28.223 1.00 0.00 C ATOM 1564 NZ LYS B 697 -17.648 7.148 -29.599 1.00 0.00 N ATOM 0 H LYS B 697 -17.085 6.431 -25.163 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.441 8.692 -26.016 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -19.238 5.969 -25.140 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -20.494 7.188 -25.058 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -20.833 6.315 -27.175 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -19.849 7.721 -27.532 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -18.554 5.015 -27.139 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -19.306 5.420 -28.669 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -17.334 7.382 -27.517 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -16.705 5.887 -28.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.042 6.604 -30.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -18.635 7.097 -29.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -17.338 8.141 -29.588 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.648 8.157 -22.730 1.00 0.00 N ATOM 1579 CA GLU B 698 -18.991 8.833 -21.467 1.00 0.00 C ATOM 1580 C GLU B 698 -18.314 10.201 -21.457 1.00 0.00 C ATOM 1581 O GLU B 698 -18.950 11.228 -21.234 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.510 8.077 -20.206 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.504 8.230 -19.045 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.575 7.125 -19.043 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.598 7.262 -19.758 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.391 6.128 -18.301 1.00 0.00 O ATOM 0 H GLU B 698 -18.187 7.254 -22.618 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.079 8.890 -21.428 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.383 7.020 -20.440 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.534 8.456 -19.903 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -18.961 8.208 -18.100 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -19.990 9.203 -19.112 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.004 10.168 -21.707 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.099 11.289 -21.597 1.00 0.00 C ATOM 1595 C LEU B 699 -16.555 12.390 -22.522 1.00 0.00 C ATOM 1596 O LEU B 699 -16.918 13.434 -22.027 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.678 10.817 -21.925 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.837 10.372 -20.721 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.617 9.736 -19.558 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.777 9.396 -21.239 1.00 0.00 C ATOM 0 H LEU B 699 -16.533 9.314 -22.005 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.097 11.687 -20.582 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.743 9.987 -22.628 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.153 11.626 -22.434 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.407 11.274 -20.286 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -13.924 9.460 -18.763 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.344 10.451 -19.173 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.136 8.845 -19.912 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.158 9.057 -20.409 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.267 8.538 -21.700 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.151 9.897 -21.977 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.598 12.163 -23.831 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.926 13.212 -24.792 1.00 0.00 C ATOM 1614 C LEU B 700 -18.317 13.788 -24.570 1.00 0.00 C ATOM 1615 O LEU B 700 -18.489 14.998 -24.722 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.709 12.738 -26.240 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.560 11.522 -26.646 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.817 11.904 -27.433 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.724 10.539 -27.465 1.00 0.00 C ATOM 0 H LEU B 700 -16.408 11.254 -24.254 1.00 0.00 H new ATOM 0 HA LEU B 700 -16.231 14.033 -24.619 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.931 13.563 -26.917 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.656 12.490 -26.374 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.890 11.054 -25.718 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -19.374 11.003 -27.689 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -19.443 12.556 -26.824 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -18.530 12.425 -28.346 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -17.339 9.684 -27.745 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -16.359 11.034 -28.365 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.877 10.197 -26.870 1.00 0.00 H new ATOM 1631 N ALA B 701 -19.295 12.954 -24.198 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.662 13.410 -24.022 1.00 0.00 C ATOM 1633 C ALA B 701 -20.755 14.290 -22.780 1.00 0.00 C ATOM 1634 O ALA B 701 -21.240 15.417 -22.860 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.592 12.198 -23.942 1.00 0.00 C ATOM 0 H ALA B 701 -19.156 11.960 -24.015 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.974 14.015 -24.874 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.620 12.536 -23.810 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.516 11.620 -24.863 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.304 11.573 -23.096 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.233 13.830 -21.647 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.183 14.628 -20.435 1.00 0.00 C ATOM 1643 C GLU B 702 -19.309 15.851 -20.665 1.00 0.00 C ATOM 1644 O GLU B 702 -19.684 16.931 -20.225 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.629 13.798 -19.273 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.519 12.672 -18.770 1.00 0.00 C ATOM 1647 CD GLU B 702 -21.640 13.195 -17.860 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.701 13.608 -18.383 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -21.471 13.171 -16.617 1.00 0.00 O ATOM 0 H GLU B 702 -19.835 12.896 -21.547 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.193 14.950 -20.180 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.675 13.370 -19.582 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.422 14.470 -18.440 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.956 12.147 -19.619 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -19.915 11.948 -18.223 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.187 15.729 -21.373 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.217 16.802 -21.492 1.00 0.00 C ATOM 1658 C TRP B 703 -17.890 18.005 -22.154 1.00 0.00 C ATOM 1659 O TRP B 703 -17.848 19.102 -21.602 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.975 16.399 -22.325 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.886 15.461 -21.822 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.566 15.154 -20.542 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.918 14.708 -22.626 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.540 14.234 -20.504 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.051 13.978 -21.755 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.668 14.557 -24.008 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.004 13.169 -22.214 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.626 13.741 -24.488 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.797 13.043 -23.595 1.00 0.00 C ATOM 0 H TRP B 703 -17.930 14.881 -21.878 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.870 17.043 -20.487 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.355 15.959 -23.247 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.475 17.329 -22.598 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.048 15.572 -19.671 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.190 13.799 -19.650 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -14.293 15.082 -24.715 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.365 12.650 -21.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.463 13.651 -25.552 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -11.004 12.413 -23.970 1.00 0.00 H new