USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 880 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: B -2 HIS : no HD1:sc= 0.0258 X(o=0.057,f=0) USER MOD Set 1.2: B 689 TYR OH : rot 20:sc= 0.0311 USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 0.977 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.877 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.938 K(o=2.4,f=0.73) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -154:sc= 1.43 (180deg=1.24) USER MOD Single : A 1 MET CE :methyl -174:sc= -0.0342 (180deg=-0.0546) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.06 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= 0.585 K(o=0.59,f=-5.7!) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.02) USER MOD Single : A 7 THR OG1 : rot -72:sc= -0.434 USER MOD Single : A 9 THR OG1 : rot 134:sc= 0.438 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0.91 (180deg=0.684) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00889 USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 0.842 (180deg=0.722) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.875 (180deg=0.803) USER MOD Single : A 40 GLN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.757 K(o=0.76,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.893 K(o=0.89,f=-0.25) USER MOD Single : A 59 TYR OH : rot 70:sc= -0.563 USER MOD Single : A 60 ASN : amide:sc= -0.0793 X(o=-0.079,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= 1.24 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 56:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-4.2!) USER MOD Single : B -1 MET CE :methyl 156:sc= 0 (180deg=-0.0296) USER MOD Single : B -3 GLY N :NH3+ -128:sc= 0.0328 (180deg=0) USER MOD Single : B 681 SER OG : rot 180:sc= 0.00541 USER MOD Single : B 686 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : B 696 GLN : amide:sc= 0.656 K(o=0.66,f=-0.16) USER MOD Single : B 697 LYS NZ :NH3+ 168:sc= 1.12 (180deg=1.03) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot 170:sc=1.34e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.495 -1.854 -3.338 1.00 0.00 N ATOM 2 CA MET A 1 4.815 -1.901 -4.802 1.00 0.00 C ATOM 3 C MET A 1 4.580 -0.553 -5.479 1.00 0.00 C ATOM 4 O MET A 1 4.027 0.334 -4.844 1.00 0.00 O ATOM 5 CB MET A 1 4.059 -3.021 -5.560 1.00 0.00 C ATOM 6 CG MET A 1 2.542 -2.876 -5.783 1.00 0.00 C ATOM 7 SD MET A 1 1.835 -4.341 -6.584 1.00 0.00 S ATOM 8 CE MET A 1 0.311 -3.732 -7.360 1.00 0.00 C ATOM 0 H1 MET A 1 4.602 -2.804 -2.929 1.00 0.00 H new ATOM 0 H2 MET A 1 5.145 -1.196 -2.862 1.00 0.00 H new ATOM 0 H3 MET A 1 3.516 -1.529 -3.207 1.00 0.00 H new ATOM 0 HA MET A 1 5.877 -2.139 -4.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.527 -3.130 -6.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.225 -3.954 -5.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.048 -2.712 -4.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.347 -1.997 -6.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.243 -4.571 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.303 -3.230 -6.612 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.563 -3.029 -8.154 1.00 0.00 H new ATOM 20 N GLN A 2 4.886 -0.409 -6.776 1.00 0.00 N ATOM 21 CA GLN A 2 4.600 0.808 -7.540 1.00 0.00 C ATOM 22 C GLN A 2 3.797 0.476 -8.793 1.00 0.00 C ATOM 23 O GLN A 2 3.899 -0.640 -9.294 1.00 0.00 O ATOM 24 CB GLN A 2 5.919 1.555 -7.836 1.00 0.00 C ATOM 25 CG GLN A 2 6.730 1.141 -9.088 1.00 0.00 C ATOM 26 CD GLN A 2 7.400 -0.237 -9.017 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.787 -1.230 -8.641 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.660 -0.348 -9.405 1.00 0.00 N ATOM 0 H GLN A 2 5.341 -1.138 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 2 3.976 1.482 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.687 2.616 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.567 1.442 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.065 1.158 -9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.501 1.891 -9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.172 0.477 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.120 -1.258 -9.391 1.00 0.00 H new ATOM 37 N ILE A 3 3.039 1.436 -9.324 1.00 0.00 N ATOM 38 CA ILE A 3 2.330 1.287 -10.605 1.00 0.00 C ATOM 39 C ILE A 3 2.356 2.607 -11.346 1.00 0.00 C ATOM 40 O ILE A 3 2.542 3.647 -10.725 1.00 0.00 O ATOM 41 CB ILE A 3 0.879 0.811 -10.385 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.154 1.749 -9.396 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.866 -0.669 -9.948 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.355 1.772 -9.596 1.00 0.00 C ATOM 0 H ILE A 3 2.896 2.343 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 3 2.834 0.528 -11.203 1.00 0.00 H new ATOM 0 HB ILE A 3 0.324 0.863 -11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.375 1.434 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.545 2.760 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.163 -0.994 -9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.329 -1.281 -10.722 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.423 -0.778 -9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.808 2.449 -8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.583 2.115 -10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.756 0.768 -9.455 1.00 0.00 H new ATOM 56 N PHE A 4 2.128 2.557 -12.652 1.00 0.00 N ATOM 57 CA PHE A 4 2.300 3.675 -13.561 1.00 0.00 C ATOM 58 C PHE A 4 0.941 4.060 -14.121 1.00 0.00 C ATOM 59 O PHE A 4 0.435 3.447 -15.048 1.00 0.00 O ATOM 60 CB PHE A 4 3.282 3.303 -14.679 1.00 0.00 C ATOM 61 CG PHE A 4 4.475 2.477 -14.247 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.307 2.954 -13.226 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.745 1.226 -14.827 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.391 2.191 -12.773 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.878 0.501 -14.425 1.00 0.00 C ATOM 66 CZ PHE A 4 6.704 0.977 -13.396 1.00 0.00 C ATOM 0 H PHE A 4 1.808 1.709 -13.119 1.00 0.00 H new ATOM 0 HA PHE A 4 2.720 4.530 -13.031 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.740 2.753 -15.448 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.645 4.221 -15.141 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.111 3.920 -12.784 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.083 0.824 -15.580 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.986 2.540 -11.942 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.116 -0.433 -14.913 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.572 0.413 -13.088 1.00 0.00 H new ATOM 76 N VAL A 5 0.293 5.064 -13.562 1.00 0.00 N ATOM 77 CA VAL A 5 -1.026 5.470 -14.042 1.00 0.00 C ATOM 78 C VAL A 5 -0.796 6.478 -15.162 1.00 0.00 C ATOM 79 O VAL A 5 -0.407 7.613 -14.912 1.00 0.00 O ATOM 80 CB VAL A 5 -1.899 5.968 -12.881 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.304 6.340 -13.367 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.015 4.878 -11.807 1.00 0.00 C ATOM 0 H VAL A 5 0.650 5.614 -12.780 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.597 4.637 -14.453 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.424 6.855 -12.463 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.900 6.689 -12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.233 7.131 -14.114 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.779 5.465 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.636 5.240 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.469 3.987 -12.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.022 4.632 -11.429 1.00 0.00 H new ATOM 92 N LYS A 6 -0.971 6.069 -16.418 1.00 0.00 N ATOM 93 CA LYS A 6 -0.930 7.005 -17.532 1.00 0.00 C ATOM 94 C LYS A 6 -2.160 7.873 -17.432 1.00 0.00 C ATOM 95 O LYS A 6 -3.264 7.348 -17.330 1.00 0.00 O ATOM 96 CB LYS A 6 -0.907 6.250 -18.867 1.00 0.00 C ATOM 97 CG LYS A 6 -0.342 7.148 -19.980 1.00 0.00 C ATOM 98 CD LYS A 6 -0.666 6.546 -21.352 1.00 0.00 C ATOM 99 CE LYS A 6 0.346 6.972 -22.432 1.00 0.00 C ATOM 100 NZ LYS A 6 0.339 6.036 -23.597 1.00 0.00 N ATOM 0 H LYS A 6 -1.142 5.099 -16.685 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.028 7.615 -17.490 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.299 5.350 -18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.915 5.928 -19.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.767 8.149 -19.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.737 7.250 -19.864 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.676 5.459 -21.276 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.667 6.854 -21.654 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.111 7.980 -22.774 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.346 7.007 -22.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.815 6.484 -24.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.840 5.161 -23.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.643 5.810 -23.855 1.00 0.00 H new ATOM 114 N THR A 7 -2.014 9.179 -17.451 1.00 0.00 N ATOM 115 CA THR A 7 -3.176 10.010 -17.587 1.00 0.00 C ATOM 116 C THR A 7 -3.564 10.083 -19.032 1.00 0.00 C ATOM 117 O THR A 7 -2.758 9.819 -19.926 1.00 0.00 O ATOM 118 CB THR A 7 -2.967 11.381 -17.005 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.866 11.958 -17.671 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.698 11.339 -15.515 1.00 0.00 C ATOM 0 H THR A 7 -1.125 9.673 -17.376 1.00 0.00 H new ATOM 0 HA THR A 7 -3.989 9.560 -17.017 1.00 0.00 H new ATOM 0 HB THR A 7 -3.875 11.968 -17.143 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.040 11.520 -17.377 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.554 12.353 -15.143 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.546 10.882 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.800 10.751 -15.324 1.00 0.00 H new ATOM 128 N LEU A 8 -4.797 10.513 -19.261 1.00 0.00 N ATOM 129 CA LEU A 8 -5.231 10.705 -20.629 1.00 0.00 C ATOM 130 C LEU A 8 -4.382 11.744 -21.358 1.00 0.00 C ATOM 131 O LEU A 8 -4.393 11.701 -22.579 1.00 0.00 O ATOM 132 CB LEU A 8 -6.729 10.991 -20.788 1.00 0.00 C ATOM 133 CG LEU A 8 -7.695 9.830 -20.502 1.00 0.00 C ATOM 134 CD1 LEU A 8 -9.047 10.068 -21.168 1.00 0.00 C ATOM 135 CD2 LEU A 8 -7.169 8.475 -20.978 1.00 0.00 C ATOM 0 H LEU A 8 -5.489 10.728 -18.543 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.071 9.739 -21.108 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.988 11.818 -20.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.902 11.332 -21.809 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.795 9.801 -19.417 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.712 9.232 -20.950 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.485 10.990 -20.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.912 10.152 -22.246 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.899 7.699 -20.746 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.004 8.507 -22.055 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.229 8.252 -20.473 1.00 0.00 H new ATOM 147 N THR A 9 -3.624 12.624 -20.687 1.00 0.00 N ATOM 148 CA THR A 9 -2.833 13.640 -21.379 1.00 0.00 C ATOM 149 C THR A 9 -1.560 12.998 -21.954 1.00 0.00 C ATOM 150 O THR A 9 -0.844 13.606 -22.754 1.00 0.00 O ATOM 151 CB THR A 9 -2.559 14.879 -20.504 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.870 15.899 -21.197 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.862 14.614 -19.173 1.00 0.00 C ATOM 0 H THR A 9 -3.545 12.649 -19.670 1.00 0.00 H new ATOM 0 HA THR A 9 -3.415 14.027 -22.215 1.00 0.00 H new ATOM 0 HB THR A 9 -3.567 15.215 -20.260 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.298 16.762 -21.018 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.721 15.556 -18.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.475 13.945 -18.568 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.892 14.152 -19.356 1.00 0.00 H new ATOM 161 N GLY A 10 -1.258 11.759 -21.545 1.00 0.00 N ATOM 162 CA GLY A 10 -0.006 11.117 -21.871 1.00 0.00 C ATOM 163 C GLY A 10 1.067 11.427 -20.837 1.00 0.00 C ATOM 164 O GLY A 10 2.232 11.554 -21.215 1.00 0.00 O ATOM 0 H GLY A 10 -1.883 11.185 -20.980 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.154 10.039 -21.931 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.328 11.448 -22.854 1.00 0.00 H new ATOM 168 N LYS A 11 0.704 11.539 -19.547 1.00 0.00 N ATOM 169 CA LYS A 11 1.712 11.660 -18.490 1.00 0.00 C ATOM 170 C LYS A 11 1.570 10.458 -17.599 1.00 0.00 C ATOM 171 O LYS A 11 0.500 10.263 -17.041 1.00 0.00 O ATOM 172 CB LYS A 11 1.526 12.977 -17.727 1.00 0.00 C ATOM 173 CG LYS A 11 2.456 13.091 -16.502 1.00 0.00 C ATOM 174 CD LYS A 11 1.884 12.608 -15.155 1.00 0.00 C ATOM 175 CE LYS A 11 0.570 13.278 -14.720 1.00 0.00 C ATOM 176 NZ LYS A 11 0.724 14.685 -14.259 1.00 0.00 N ATOM 0 H LYS A 11 -0.262 11.548 -19.220 1.00 0.00 H new ATOM 0 HA LYS A 11 2.721 11.686 -18.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.715 13.813 -18.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.489 13.060 -17.400 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.364 12.525 -16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.750 14.135 -16.393 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.722 11.532 -15.213 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.632 12.776 -14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.130 13.256 -15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.125 12.691 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.128 14.975 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.553 14.757 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.855 15.308 -15.082 1.00 0.00 H new ATOM 190 N THR A 12 2.615 9.680 -17.402 1.00 0.00 N ATOM 191 CA THR A 12 2.532 8.528 -16.531 1.00 0.00 C ATOM 192 C THR A 12 2.963 8.950 -15.135 1.00 0.00 C ATOM 193 O THR A 12 4.106 9.353 -14.921 1.00 0.00 O ATOM 194 CB THR A 12 3.330 7.360 -17.133 1.00 0.00 C ATOM 195 OG1 THR A 12 3.439 7.474 -18.546 1.00 0.00 O ATOM 196 CG2 THR A 12 2.575 6.065 -16.835 1.00 0.00 C ATOM 0 H THR A 12 3.528 9.825 -17.832 1.00 0.00 H new ATOM 0 HA THR A 12 1.512 8.155 -16.441 1.00 0.00 H new ATOM 0 HB THR A 12 4.330 7.368 -16.698 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.953 6.717 -18.897 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.122 5.220 -17.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.481 5.939 -15.756 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.582 6.111 -17.283 1.00 0.00 H new ATOM 204 N ILE A 13 2.012 8.891 -14.202 1.00 0.00 N ATOM 205 CA ILE A 13 2.253 9.154 -12.796 1.00 0.00 C ATOM 206 C ILE A 13 2.466 7.811 -12.141 1.00 0.00 C ATOM 207 O ILE A 13 1.543 7.007 -12.033 1.00 0.00 O ATOM 208 CB ILE A 13 1.152 10.042 -12.159 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.012 9.905 -10.620 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.243 10.013 -12.790 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.220 9.164 -10.081 1.00 0.00 C ATOM 0 H ILE A 13 1.042 8.655 -14.412 1.00 0.00 H new ATOM 0 HA ILE A 13 3.146 9.760 -12.644 1.00 0.00 H new ATOM 0 HB ILE A 13 1.571 11.019 -12.402 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.900 9.396 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.015 10.907 -10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.905 10.681 -12.240 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.180 10.339 -13.828 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.639 8.998 -12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.186 9.145 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.125 9.677 -10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.226 8.143 -10.461 1.00 0.00 H new ATOM 223 N THR A 14 3.689 7.571 -11.701 1.00 0.00 N ATOM 224 CA THR A 14 3.997 6.419 -10.888 1.00 0.00 C ATOM 225 C THR A 14 3.484 6.707 -9.481 1.00 0.00 C ATOM 226 O THR A 14 3.586 7.843 -9.000 1.00 0.00 O ATOM 227 CB THR A 14 5.505 6.156 -10.904 1.00 0.00 C ATOM 228 OG1 THR A 14 5.965 6.188 -12.247 1.00 0.00 O ATOM 229 CG2 THR A 14 5.859 4.792 -10.267 1.00 0.00 C ATOM 0 H THR A 14 4.490 8.170 -11.899 1.00 0.00 H new ATOM 0 HA THR A 14 3.517 5.519 -11.273 1.00 0.00 H new ATOM 0 HB THR A 14 5.993 6.932 -10.314 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.931 6.022 -12.266 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.939 4.645 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.521 4.776 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.367 3.993 -10.822 1.00 0.00 H new ATOM 237 N LEU A 15 2.967 5.690 -8.803 1.00 0.00 N ATOM 238 CA LEU A 15 2.603 5.798 -7.406 1.00 0.00 C ATOM 239 C LEU A 15 2.862 4.492 -6.709 1.00 0.00 C ATOM 240 O LEU A 15 2.912 3.463 -7.374 1.00 0.00 O ATOM 241 CB LEU A 15 1.133 6.212 -7.264 1.00 0.00 C ATOM 242 CG LEU A 15 0.071 5.210 -7.736 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.163 5.315 -6.853 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.371 5.495 -9.150 1.00 0.00 C ATOM 0 H LEU A 15 2.791 4.771 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 15 3.215 6.569 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.945 6.433 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.989 7.141 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 15 0.520 4.218 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.915 4.602 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.892 5.094 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.568 6.325 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.123 4.765 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.796 6.497 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.486 5.428 -9.820 1.00 0.00 H new ATOM 256 N GLU A 16 2.947 4.517 -5.386 1.00 0.00 N ATOM 257 CA GLU A 16 3.112 3.312 -4.602 1.00 0.00 C ATOM 258 C GLU A 16 1.752 2.864 -4.080 1.00 0.00 C ATOM 259 O GLU A 16 0.927 3.663 -3.633 1.00 0.00 O ATOM 260 CB GLU A 16 4.141 3.508 -3.483 1.00 0.00 C ATOM 261 CG GLU A 16 5.559 3.454 -4.058 1.00 0.00 C ATOM 262 CD GLU A 16 6.625 3.585 -2.954 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.053 2.546 -2.394 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.051 4.724 -2.644 1.00 0.00 O ATOM 0 H GLU A 16 2.903 5.373 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 16 3.511 2.518 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.976 4.466 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.018 2.734 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.700 2.514 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.688 4.255 -4.786 1.00 0.00 H new ATOM 271 N VAL A 17 1.532 1.562 -4.192 1.00 0.00 N ATOM 272 CA VAL A 17 0.286 0.860 -3.898 1.00 0.00 C ATOM 273 C VAL A 17 0.627 -0.540 -3.369 1.00 0.00 C ATOM 274 O VAL A 17 1.796 -0.900 -3.242 1.00 0.00 O ATOM 275 CB VAL A 17 -0.577 0.764 -5.181 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.947 2.126 -5.765 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.120 -0.074 -6.266 1.00 0.00 C ATOM 0 H VAL A 17 2.263 0.926 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.285 1.403 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.499 0.273 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.551 1.986 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.516 2.695 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.038 2.671 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.513 -0.121 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.073 0.386 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.294 -1.082 -5.891 1.00 0.00 H new ATOM 287 N GLU A 18 -0.395 -1.367 -3.187 1.00 0.00 N ATOM 288 CA GLU A 18 -0.311 -2.794 -2.906 1.00 0.00 C ATOM 289 C GLU A 18 -1.252 -3.439 -3.920 1.00 0.00 C ATOM 290 O GLU A 18 -2.196 -2.767 -4.341 1.00 0.00 O ATOM 291 CB GLU A 18 -0.811 -3.083 -1.483 1.00 0.00 C ATOM 292 CG GLU A 18 0.108 -2.532 -0.390 1.00 0.00 C ATOM 293 CD GLU A 18 1.499 -3.194 -0.395 1.00 0.00 C ATOM 294 OE1 GLU A 18 1.580 -4.437 -0.245 1.00 0.00 O ATOM 295 OE2 GLU A 18 2.525 -2.484 -0.545 1.00 0.00 O ATOM 0 H GLU A 18 -1.360 -1.040 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 18 0.709 -3.170 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.805 -2.653 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.911 -4.161 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.221 -1.456 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.359 -2.684 0.583 1.00 0.00 H new ATOM 302 N PRO A 19 -1.090 -4.715 -4.304 1.00 0.00 N ATOM 303 CA PRO A 19 -2.083 -5.391 -5.133 1.00 0.00 C ATOM 304 C PRO A 19 -3.488 -5.298 -4.518 1.00 0.00 C ATOM 305 O PRO A 19 -4.462 -5.065 -5.223 1.00 0.00 O ATOM 306 CB PRO A 19 -1.605 -6.840 -5.291 1.00 0.00 C ATOM 307 CG PRO A 19 -0.132 -6.817 -4.889 1.00 0.00 C ATOM 308 CD PRO A 19 0.005 -5.607 -3.961 1.00 0.00 C ATOM 0 HA PRO A 19 -2.171 -4.916 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.177 -7.516 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.729 -7.187 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.153 -7.738 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.514 -6.721 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.050 -5.909 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.968 -5.115 -4.100 1.00 0.00 H new ATOM 316 N SER A 20 -3.601 -5.359 -3.195 1.00 0.00 N ATOM 317 CA SER A 20 -4.871 -5.389 -2.490 1.00 0.00 C ATOM 318 C SER A 20 -5.299 -3.974 -2.125 1.00 0.00 C ATOM 319 O SER A 20 -6.272 -3.804 -1.386 1.00 0.00 O ATOM 320 CB SER A 20 -4.751 -6.298 -1.259 1.00 0.00 C ATOM 321 OG SER A 20 -4.175 -7.556 -1.610 1.00 0.00 O ATOM 0 H SER A 20 -2.793 -5.389 -2.573 1.00 0.00 H new ATOM 0 HA SER A 20 -5.647 -5.803 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.138 -5.811 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.736 -6.454 -0.820 1.00 0.00 H new ATOM 0 HG SER A 20 -4.106 -8.119 -0.811 1.00 0.00 H new ATOM 327 N ASP A 21 -4.581 -2.953 -2.619 1.00 0.00 N ATOM 328 CA ASP A 21 -5.069 -1.606 -2.484 1.00 0.00 C ATOM 329 C ASP A 21 -6.304 -1.477 -3.363 1.00 0.00 C ATOM 330 O ASP A 21 -6.323 -1.951 -4.511 1.00 0.00 O ATOM 331 CB ASP A 21 -4.010 -0.559 -2.847 1.00 0.00 C ATOM 332 CG ASP A 21 -4.317 0.817 -2.253 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.028 0.886 -1.227 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.784 1.830 -2.765 1.00 0.00 O ATOM 0 H ASP A 21 -3.686 -3.047 -3.100 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.320 -1.413 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.036 -0.895 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.943 -0.476 -3.932 1.00 0.00 H new ATOM 339 N THR A 22 -7.355 -0.893 -2.804 1.00 0.00 N ATOM 340 CA THR A 22 -8.591 -0.681 -3.528 1.00 0.00 C ATOM 341 C THR A 22 -8.414 0.448 -4.517 1.00 0.00 C ATOM 342 O THR A 22 -7.713 1.429 -4.258 1.00 0.00 O ATOM 343 CB THR A 22 -9.802 -0.405 -2.627 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.435 0.465 -1.564 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.391 -1.698 -2.070 1.00 0.00 C ATOM 0 H THR A 22 -7.371 -0.556 -1.841 1.00 0.00 H new ATOM 0 HA THR A 22 -8.808 -1.615 -4.046 1.00 0.00 H new ATOM 0 HB THR A 22 -10.568 0.076 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.216 0.636 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.247 -1.465 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.712 -2.336 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.635 -2.218 -1.482 1.00 0.00 H new ATOM 353 N ILE A 23 -9.127 0.330 -5.632 1.00 0.00 N ATOM 354 CA ILE A 23 -9.253 1.391 -6.620 1.00 0.00 C ATOM 355 C ILE A 23 -9.574 2.736 -5.967 1.00 0.00 C ATOM 356 O ILE A 23 -8.946 3.714 -6.353 1.00 0.00 O ATOM 357 CB ILE A 23 -10.304 1.003 -7.665 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.049 -0.355 -8.351 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.453 2.088 -8.746 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.604 -0.823 -8.514 1.00 0.00 C ATOM 0 H ILE A 23 -9.640 -0.517 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.293 1.513 -7.123 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.228 0.907 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.584 -1.119 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.500 -0.317 -9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.207 1.779 -9.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.759 3.025 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.499 2.230 -9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.589 -1.792 -9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.052 -0.098 -9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.138 -0.913 -7.533 1.00 0.00 H new ATOM 372 N GLU A 24 -10.483 2.822 -4.991 1.00 0.00 N ATOM 373 CA GLU A 24 -10.808 4.101 -4.354 1.00 0.00 C ATOM 374 C GLU A 24 -9.558 4.747 -3.753 1.00 0.00 C ATOM 375 O GLU A 24 -9.294 5.933 -3.949 1.00 0.00 O ATOM 376 CB GLU A 24 -11.867 3.881 -3.262 1.00 0.00 C ATOM 377 CG GLU A 24 -12.399 5.210 -2.708 1.00 0.00 C ATOM 378 CD GLU A 24 -13.501 4.976 -1.661 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.168 4.766 -0.469 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.704 5.020 -2.016 1.00 0.00 O ATOM 0 H GLU A 24 -11.005 2.025 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.205 4.775 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.694 3.300 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.436 3.295 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.581 5.773 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.792 5.816 -3.524 1.00 0.00 H new ATOM 387 N ASN A 25 -8.752 3.950 -3.055 1.00 0.00 N ATOM 388 CA ASN A 25 -7.583 4.455 -2.343 1.00 0.00 C ATOM 389 C ASN A 25 -6.426 4.723 -3.311 1.00 0.00 C ATOM 390 O ASN A 25 -5.566 5.563 -3.054 1.00 0.00 O ATOM 391 CB ASN A 25 -7.214 3.442 -1.254 1.00 0.00 C ATOM 392 CG ASN A 25 -6.237 3.990 -0.222 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.241 5.171 0.112 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.377 3.139 0.316 1.00 0.00 N ATOM 0 H ASN A 25 -8.890 2.943 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.807 5.412 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.123 3.118 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.779 2.559 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.709 3.463 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.383 2.160 0.031 1.00 0.00 H new ATOM 401 N VAL A 26 -6.416 4.062 -4.465 1.00 0.00 N ATOM 402 CA VAL A 26 -5.505 4.341 -5.564 1.00 0.00 C ATOM 403 C VAL A 26 -5.908 5.678 -6.179 1.00 0.00 C ATOM 404 O VAL A 26 -5.078 6.578 -6.247 1.00 0.00 O ATOM 405 CB VAL A 26 -5.597 3.147 -6.530 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.957 3.424 -7.887 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.987 1.876 -5.926 1.00 0.00 C ATOM 0 H VAL A 26 -7.060 3.297 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.463 4.442 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.664 2.990 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.055 2.544 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.457 4.270 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.901 3.657 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.072 1.057 -6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.936 2.050 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.519 1.617 -5.011 1.00 0.00 H new ATOM 417 N LYS A 27 -7.181 5.880 -6.555 1.00 0.00 N ATOM 418 CA LYS A 27 -7.669 7.177 -7.040 1.00 0.00 C ATOM 419 C LYS A 27 -7.374 8.287 -6.035 1.00 0.00 C ATOM 420 O LYS A 27 -7.067 9.394 -6.462 1.00 0.00 O ATOM 421 CB LYS A 27 -9.197 7.173 -7.267 1.00 0.00 C ATOM 422 CG LYS A 27 -9.807 6.316 -8.385 1.00 0.00 C ATOM 423 CD LYS A 27 -11.304 6.694 -8.464 1.00 0.00 C ATOM 424 CE LYS A 27 -12.209 5.742 -9.244 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.628 6.210 -9.162 1.00 0.00 N ATOM 0 H LYS A 27 -7.896 5.152 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.150 7.355 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.662 6.863 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.500 8.204 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.308 6.507 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.686 5.254 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.689 6.774 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.382 7.684 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.891 5.695 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.125 4.733 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.205 5.487 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.670 7.097 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.996 6.372 -10.121 1.00 0.00 H new ATOM 439 N ALA A 28 -7.437 8.017 -4.731 1.00 0.00 N ATOM 440 CA ALA A 28 -7.104 9.013 -3.713 1.00 0.00 C ATOM 441 C ALA A 28 -5.637 9.419 -3.827 1.00 0.00 C ATOM 442 O ALA A 28 -5.323 10.604 -3.775 1.00 0.00 O ATOM 443 CB ALA A 28 -7.406 8.468 -2.315 1.00 0.00 C ATOM 0 H ALA A 28 -7.717 7.112 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.719 9.898 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.153 9.221 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.466 8.225 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.815 7.569 -2.139 1.00 0.00 H new ATOM 449 N LYS A 29 -4.728 8.474 -4.090 1.00 0.00 N ATOM 450 CA LYS A 29 -3.337 8.840 -4.396 1.00 0.00 C ATOM 451 C LYS A 29 -3.263 9.635 -5.689 1.00 0.00 C ATOM 452 O LYS A 29 -2.499 10.581 -5.782 1.00 0.00 O ATOM 453 CB LYS A 29 -2.464 7.588 -4.471 1.00 0.00 C ATOM 454 CG LYS A 29 -2.431 6.924 -3.097 1.00 0.00 C ATOM 455 CD LYS A 29 -1.758 5.558 -3.180 1.00 0.00 C ATOM 456 CE LYS A 29 -1.857 4.900 -1.803 1.00 0.00 C ATOM 457 NZ LYS A 29 -3.160 4.222 -1.591 1.00 0.00 N ATOM 0 H LYS A 29 -4.921 7.472 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.959 9.473 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.860 6.896 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.454 7.851 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.893 7.559 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.446 6.813 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.243 4.939 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.715 5.664 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.051 4.175 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.714 5.656 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.369 4.183 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.910 4.752 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.115 3.256 -1.972 1.00 0.00 H new ATOM 471 N ILE A 30 -4.093 9.331 -6.682 1.00 0.00 N ATOM 472 CA ILE A 30 -4.099 10.134 -7.908 1.00 0.00 C ATOM 473 C ILE A 30 -4.521 11.562 -7.591 1.00 0.00 C ATOM 474 O ILE A 30 -3.926 12.474 -8.120 1.00 0.00 O ATOM 475 CB ILE A 30 -4.975 9.532 -9.014 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.747 8.040 -9.287 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.754 10.324 -10.311 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.303 7.589 -9.326 1.00 0.00 C ATOM 0 H ILE A 30 -4.756 8.556 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.081 10.137 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.002 9.609 -8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.266 7.466 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.212 7.790 -10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.373 9.904 -11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.028 11.367 -10.152 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.705 10.264 -10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.262 6.518 -9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.775 8.126 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.831 7.798 -8.366 1.00 0.00 H new ATOM 490 N GLN A 31 -5.484 11.799 -6.717 1.00 0.00 N ATOM 491 CA GLN A 31 -5.847 13.128 -6.233 1.00 0.00 C ATOM 492 C GLN A 31 -4.628 13.803 -5.601 1.00 0.00 C ATOM 493 O GLN A 31 -4.414 14.989 -5.814 1.00 0.00 O ATOM 494 CB GLN A 31 -7.001 13.044 -5.225 1.00 0.00 C ATOM 495 CG GLN A 31 -7.604 14.406 -4.823 1.00 0.00 C ATOM 496 CD GLN A 31 -7.903 14.460 -3.324 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.040 14.806 -2.521 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.109 14.104 -2.903 1.00 0.00 N ATOM 0 H GLN A 31 -6.052 11.056 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.183 13.728 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.791 12.423 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.645 12.540 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.911 15.205 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.521 14.580 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.820 13.818 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.325 14.116 -1.906 1.00 0.00 H new ATOM 507 N ASP A 32 -3.799 13.046 -4.890 1.00 0.00 N ATOM 508 CA ASP A 32 -2.572 13.576 -4.311 1.00 0.00 C ATOM 509 C ASP A 32 -1.557 13.964 -5.394 1.00 0.00 C ATOM 510 O ASP A 32 -0.797 14.916 -5.188 1.00 0.00 O ATOM 511 CB ASP A 32 -1.963 12.585 -3.317 1.00 0.00 C ATOM 512 CG ASP A 32 -0.766 13.215 -2.588 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.977 14.127 -1.752 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.385 12.768 -2.809 1.00 0.00 O ATOM 0 H ASP A 32 -3.957 12.056 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.832 14.484 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.717 12.279 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.643 11.685 -3.842 1.00 0.00 H new ATOM 519 N LYS A 33 -1.557 13.297 -6.565 1.00 0.00 N ATOM 520 CA LYS A 33 -0.545 13.541 -7.597 1.00 0.00 C ATOM 521 C LYS A 33 -1.043 14.443 -8.732 1.00 0.00 C ATOM 522 O LYS A 33 -0.242 15.128 -9.368 1.00 0.00 O ATOM 523 CB LYS A 33 0.078 12.216 -8.032 1.00 0.00 C ATOM 524 CG LYS A 33 0.608 11.478 -6.784 1.00 0.00 C ATOM 525 CD LYS A 33 1.786 10.522 -7.006 1.00 0.00 C ATOM 526 CE LYS A 33 3.074 11.225 -7.473 1.00 0.00 C ATOM 527 NZ LYS A 33 4.235 10.290 -7.543 1.00 0.00 N ATOM 0 H LYS A 33 -2.247 12.588 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 33 0.263 14.134 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.662 11.603 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.890 12.395 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.907 12.224 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.214 10.911 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.990 9.989 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.501 9.775 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.908 11.669 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.308 12.041 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.031 10.760 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.519 10.017 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.965 9.440 -8.078 1.00 0.00 H new ATOM 541 N GLU A 34 -2.360 14.507 -8.924 1.00 0.00 N ATOM 542 CA GLU A 34 -3.034 15.132 -10.062 1.00 0.00 C ATOM 543 C GLU A 34 -4.033 16.206 -9.638 1.00 0.00 C ATOM 544 O GLU A 34 -4.171 17.218 -10.322 1.00 0.00 O ATOM 545 CB GLU A 34 -3.776 14.046 -10.856 1.00 0.00 C ATOM 546 CG GLU A 34 -2.834 12.992 -11.457 1.00 0.00 C ATOM 547 CD GLU A 34 -1.626 13.617 -12.169 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.805 14.475 -13.064 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.481 13.247 -11.836 1.00 0.00 O ATOM 0 H GLU A 34 -3.019 14.105 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.271 15.618 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.494 13.552 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.346 14.515 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.482 12.331 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.389 12.375 -12.164 1.00 0.00 H new ATOM 556 N GLY A 35 -4.726 15.993 -8.515 1.00 0.00 N ATOM 557 CA GLY A 35 -5.615 16.973 -7.894 1.00 0.00 C ATOM 558 C GLY A 35 -7.092 16.651 -8.093 1.00 0.00 C ATOM 559 O GLY A 35 -7.937 17.495 -7.800 1.00 0.00 O ATOM 0 H GLY A 35 -4.681 15.112 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.401 17.024 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.405 17.959 -8.308 1.00 0.00 H new ATOM 563 N ILE A 36 -7.421 15.455 -8.606 1.00 0.00 N ATOM 564 CA ILE A 36 -8.777 15.133 -9.043 1.00 0.00 C ATOM 565 C ILE A 36 -9.430 14.246 -7.983 1.00 0.00 C ATOM 566 O ILE A 36 -8.865 13.198 -7.685 1.00 0.00 O ATOM 567 CB ILE A 36 -8.693 14.403 -10.387 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.941 15.256 -11.436 1.00 0.00 C ATOM 569 CG2 ILE A 36 -10.107 14.079 -10.903 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.658 14.453 -12.697 1.00 0.00 C ATOM 0 H ILE A 36 -6.755 14.692 -8.727 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.377 16.035 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.141 13.476 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.535 16.135 -11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.003 15.615 -11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.035 13.560 -11.859 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.620 13.443 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.668 15.005 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.129 15.079 -13.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.044 13.588 -12.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.599 14.116 -13.133 1.00 0.00 H new ATOM 582 N PRO A 37 -10.618 14.585 -7.458 1.00 0.00 N ATOM 583 CA PRO A 37 -11.289 13.784 -6.441 1.00 0.00 C ATOM 584 C PRO A 37 -11.747 12.439 -7.000 1.00 0.00 C ATOM 585 O PRO A 37 -12.084 12.362 -8.178 1.00 0.00 O ATOM 586 CB PRO A 37 -12.465 14.629 -5.943 1.00 0.00 C ATOM 587 CG PRO A 37 -12.645 15.760 -6.958 1.00 0.00 C ATOM 588 CD PRO A 37 -11.399 15.748 -7.840 1.00 0.00 C ATOM 0 HA PRO A 37 -10.614 13.539 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.371 14.027 -5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.263 15.028 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.545 15.608 -7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.755 16.720 -6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.673 15.699 -8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.821 16.662 -7.703 1.00 0.00 H new ATOM 596 N PRO A 38 -11.818 11.371 -6.189 1.00 0.00 N ATOM 597 CA PRO A 38 -12.063 10.025 -6.701 1.00 0.00 C ATOM 598 C PRO A 38 -13.417 9.840 -7.347 1.00 0.00 C ATOM 599 O PRO A 38 -13.511 9.102 -8.325 1.00 0.00 O ATOM 600 CB PRO A 38 -11.911 9.084 -5.510 1.00 0.00 C ATOM 601 CG PRO A 38 -12.086 9.975 -4.281 1.00 0.00 C ATOM 602 CD PRO A 38 -11.554 11.325 -4.754 1.00 0.00 C ATOM 0 HA PRO A 38 -11.350 9.818 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.660 8.292 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.935 8.600 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.130 10.038 -3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.525 9.598 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.052 12.145 -4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.488 11.420 -4.549 1.00 0.00 H new ATOM 610 N ASP A 39 -14.446 10.527 -6.869 1.00 0.00 N ATOM 611 CA ASP A 39 -15.777 10.371 -7.462 1.00 0.00 C ATOM 612 C ASP A 39 -15.832 11.022 -8.844 1.00 0.00 C ATOM 613 O ASP A 39 -16.616 10.637 -9.710 1.00 0.00 O ATOM 614 CB ASP A 39 -16.851 10.971 -6.546 1.00 0.00 C ATOM 615 CG ASP A 39 -18.250 10.857 -7.178 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.643 9.734 -7.576 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.961 11.883 -7.263 1.00 0.00 O ATOM 0 H ASP A 39 -14.394 11.184 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.976 9.305 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.841 10.458 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.622 12.019 -6.350 1.00 0.00 H new ATOM 622 N GLN A 40 -14.922 11.967 -9.076 1.00 0.00 N ATOM 623 CA GLN A 40 -14.808 12.706 -10.330 1.00 0.00 C ATOM 624 C GLN A 40 -13.847 12.018 -11.297 1.00 0.00 C ATOM 625 O GLN A 40 -13.757 12.395 -12.458 1.00 0.00 O ATOM 626 CB GLN A 40 -14.313 14.111 -9.937 1.00 0.00 C ATOM 627 CG GLN A 40 -14.292 15.136 -11.078 1.00 0.00 C ATOM 628 CD GLN A 40 -14.322 16.576 -10.556 1.00 0.00 C ATOM 629 OE1 GLN A 40 -13.326 17.290 -10.596 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.463 17.018 -10.053 1.00 0.00 N ATOM 0 H GLN A 40 -14.229 12.245 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.762 12.755 -10.855 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.948 14.493 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.306 14.024 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.397 14.988 -11.682 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.149 14.969 -11.731 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.280 16.408 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.526 17.969 -9.689 1.00 0.00 H new ATOM 639 N GLN A 41 -13.153 10.977 -10.857 1.00 0.00 N ATOM 640 CA GLN A 41 -12.044 10.352 -11.538 1.00 0.00 C ATOM 641 C GLN A 41 -12.439 8.928 -11.898 1.00 0.00 C ATOM 642 O GLN A 41 -13.006 8.243 -11.056 1.00 0.00 O ATOM 643 CB GLN A 41 -10.952 10.393 -10.460 1.00 0.00 C ATOM 644 CG GLN A 41 -9.546 10.095 -10.940 1.00 0.00 C ATOM 645 CD GLN A 41 -8.609 9.745 -9.794 1.00 0.00 C ATOM 646 OE1 GLN A 41 -7.997 8.691 -9.821 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.490 10.562 -8.758 1.00 0.00 N ATOM 0 H GLN A 41 -13.366 10.527 -9.967 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.730 10.825 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.958 11.381 -10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.210 9.677 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.574 9.268 -11.650 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.155 10.961 -11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.005 11.443 -8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.884 10.311 -7.977 1.00 0.00 H new ATOM 656 N ARG A 42 -12.099 8.440 -13.090 1.00 0.00 N ATOM 657 CA ARG A 42 -12.261 7.008 -13.391 1.00 0.00 C ATOM 658 C ARG A 42 -10.892 6.385 -13.554 1.00 0.00 C ATOM 659 O ARG A 42 -9.943 7.066 -13.932 1.00 0.00 O ATOM 660 CB ARG A 42 -13.153 6.790 -14.629 1.00 0.00 C ATOM 661 CG ARG A 42 -14.454 6.050 -14.291 1.00 0.00 C ATOM 662 CD ARG A 42 -15.623 6.362 -15.238 1.00 0.00 C ATOM 663 NE ARG A 42 -16.862 5.704 -14.761 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.993 5.496 -15.457 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.082 5.869 -16.726 1.00 0.00 N ATOM 666 NH2 ARG A 42 -19.044 4.936 -14.874 1.00 0.00 N ATOM 0 H ARG A 42 -11.716 8.998 -13.853 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.772 6.517 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.393 7.755 -15.075 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.599 6.222 -15.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.263 4.977 -14.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.749 6.304 -13.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.775 7.440 -15.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.386 6.019 -16.245 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.856 5.372 -13.797 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.288 6.318 -17.182 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.944 5.707 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.997 4.661 -13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.900 4.780 -15.407 1.00 0.00 H new ATOM 680 N LEU A 43 -10.827 5.082 -13.320 1.00 0.00 N ATOM 681 CA LEU A 43 -9.607 4.309 -13.432 1.00 0.00 C ATOM 682 C LEU A 43 -9.894 3.185 -14.396 1.00 0.00 C ATOM 683 O LEU A 43 -10.881 2.474 -14.260 1.00 0.00 O ATOM 684 CB LEU A 43 -9.181 3.789 -12.045 1.00 0.00 C ATOM 685 CG LEU A 43 -7.680 3.948 -11.775 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.248 5.426 -11.762 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.373 3.349 -10.400 1.00 0.00 C ATOM 0 H LEU A 43 -11.636 4.527 -13.043 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.778 4.911 -13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.740 4.323 -11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.449 2.736 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.137 3.441 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.177 5.490 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.469 5.878 -12.729 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.792 5.957 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.309 3.452 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.948 3.875 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.644 2.293 -10.394 1.00 0.00 H new ATOM 699 N ILE A 44 -9.049 3.069 -15.397 1.00 0.00 N ATOM 700 CA ILE A 44 -9.141 2.090 -16.475 1.00 0.00 C ATOM 701 C ILE A 44 -7.832 1.331 -16.470 1.00 0.00 C ATOM 702 O ILE A 44 -6.811 1.832 -16.008 1.00 0.00 O ATOM 703 CB ILE A 44 -9.466 2.809 -17.811 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.778 3.598 -17.550 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.518 1.889 -19.052 1.00 0.00 C ATOM 706 CD1 ILE A 44 -11.386 4.350 -18.710 1.00 0.00 C ATOM 0 H ILE A 44 -8.238 3.681 -15.492 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.953 1.375 -16.341 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.652 3.479 -18.086 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.524 2.896 -17.178 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.586 4.313 -16.750 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.752 2.483 -19.936 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.551 1.404 -19.186 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.288 1.131 -18.911 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.296 4.852 -18.381 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.675 5.090 -19.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.627 3.651 -19.511 1.00 0.00 H new ATOM 718 N PHE A 45 -7.862 0.123 -17.000 1.00 0.00 N ATOM 719 CA PHE A 45 -6.698 -0.719 -17.107 1.00 0.00 C ATOM 720 C PHE A 45 -6.851 -1.496 -18.386 1.00 0.00 C ATOM 721 O PHE A 45 -7.846 -2.189 -18.550 1.00 0.00 O ATOM 722 CB PHE A 45 -6.691 -1.672 -15.919 1.00 0.00 C ATOM 723 CG PHE A 45 -5.623 -2.748 -15.992 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.279 -2.391 -16.183 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.973 -4.109 -15.905 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.281 -3.381 -16.245 1.00 0.00 C ATOM 727 CE2 PHE A 45 -4.977 -5.100 -15.916 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.628 -4.736 -16.091 1.00 0.00 C ATOM 0 H PHE A 45 -8.711 -0.302 -17.372 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.770 -0.147 -17.111 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.548 -1.095 -15.005 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.668 -2.150 -15.845 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.009 -1.350 -16.283 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.012 -4.393 -15.829 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.251 -3.102 -16.410 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.245 -6.139 -15.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.861 -5.496 -16.107 1.00 0.00 H new ATOM 738 N ALA A 46 -5.900 -1.349 -19.298 1.00 0.00 N ATOM 739 CA ALA A 46 -5.767 -2.170 -20.497 1.00 0.00 C ATOM 740 C ALA A 46 -7.060 -2.391 -21.298 1.00 0.00 C ATOM 741 O ALA A 46 -7.296 -3.455 -21.876 1.00 0.00 O ATOM 742 CB ALA A 46 -5.082 -3.472 -20.076 1.00 0.00 C ATOM 0 H ALA A 46 -5.177 -0.634 -19.223 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.158 -1.627 -21.220 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.962 -4.118 -20.946 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.103 -3.248 -19.653 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.692 -3.979 -19.329 1.00 0.00 H new ATOM 748 N GLY A 47 -7.894 -1.357 -21.309 1.00 0.00 N ATOM 749 CA GLY A 47 -9.122 -1.297 -22.083 1.00 0.00 C ATOM 750 C GLY A 47 -10.353 -1.760 -21.304 1.00 0.00 C ATOM 751 O GLY A 47 -11.399 -1.964 -21.916 1.00 0.00 O ATOM 0 H GLY A 47 -7.726 -0.513 -20.762 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.280 -0.273 -22.422 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.012 -1.915 -22.974 1.00 0.00 H new ATOM 755 N LYS A 48 -10.278 -1.883 -19.968 1.00 0.00 N ATOM 756 CA LYS A 48 -11.440 -2.149 -19.117 1.00 0.00 C ATOM 757 C LYS A 48 -11.416 -1.242 -17.898 1.00 0.00 C ATOM 758 O LYS A 48 -10.368 -0.981 -17.331 1.00 0.00 O ATOM 759 CB LYS A 48 -11.523 -3.653 -18.785 1.00 0.00 C ATOM 760 CG LYS A 48 -10.406 -4.187 -17.869 1.00 0.00 C ATOM 761 CD LYS A 48 -10.565 -5.672 -17.513 1.00 0.00 C ATOM 762 CE LYS A 48 -10.456 -6.587 -18.748 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.534 -8.028 -18.395 1.00 0.00 N ATOM 0 H LYS A 48 -9.403 -1.800 -19.450 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.361 -1.909 -19.649 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.485 -3.851 -18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.505 -4.216 -19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.444 -4.040 -18.359 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.389 -3.601 -16.950 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.801 -5.953 -16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.532 -5.826 -17.034 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.255 -6.344 -19.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.513 -6.392 -19.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.456 -8.602 -19.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.757 -8.269 -17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.444 -8.223 -17.931 1.00 0.00 H new ATOM 777 N GLN A 49 -12.556 -0.669 -17.546 1.00 0.00 N ATOM 778 CA GLN A 49 -12.727 0.194 -16.386 1.00 0.00 C ATOM 779 C GLN A 49 -12.648 -0.665 -15.119 1.00 0.00 C ATOM 780 O GLN A 49 -13.045 -1.830 -15.123 1.00 0.00 O ATOM 781 CB GLN A 49 -14.105 0.869 -16.494 1.00 0.00 C ATOM 782 CG GLN A 49 -14.231 2.169 -15.688 1.00 0.00 C ATOM 783 CD GLN A 49 -15.693 2.421 -15.317 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.487 2.842 -16.149 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.066 2.156 -14.075 1.00 0.00 N ATOM 0 H GLN A 49 -13.417 -0.796 -18.077 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.950 0.957 -16.343 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.312 1.083 -17.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.868 0.169 -16.155 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.625 2.105 -14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.847 3.006 -16.271 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.385 1.806 -13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.035 2.302 -13.791 1.00 0.00 H new ATOM 794 N LEU A 50 -12.182 -0.053 -14.029 1.00 0.00 N ATOM 795 CA LEU A 50 -12.229 -0.628 -12.687 1.00 0.00 C ATOM 796 C LEU A 50 -13.375 0.056 -11.929 1.00 0.00 C ATOM 797 O LEU A 50 -13.984 0.988 -12.461 1.00 0.00 O ATOM 798 CB LEU A 50 -10.852 -0.456 -12.001 1.00 0.00 C ATOM 799 CG LEU A 50 -9.585 -0.603 -12.876 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.334 -0.615 -11.994 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.589 -1.851 -13.762 1.00 0.00 C ATOM 0 H LEU A 50 -11.754 0.872 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.426 -1.700 -12.708 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.828 0.532 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.787 -1.185 -11.193 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.580 0.259 -13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.448 -0.719 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.275 0.318 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.387 -1.453 -11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.669 -1.886 -14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.655 -2.741 -13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.445 -1.816 -14.436 1.00 0.00 H new ATOM 813 N GLU A 51 -13.655 -0.330 -10.681 1.00 0.00 N ATOM 814 CA GLU A 51 -14.591 0.406 -9.825 1.00 0.00 C ATOM 815 C GLU A 51 -13.993 0.536 -8.431 1.00 0.00 C ATOM 816 O GLU A 51 -13.142 -0.262 -8.050 1.00 0.00 O ATOM 817 CB GLU A 51 -16.012 -0.185 -9.871 1.00 0.00 C ATOM 818 CG GLU A 51 -16.219 -1.423 -8.992 1.00 0.00 C ATOM 819 CD GLU A 51 -17.616 -2.049 -9.188 1.00 0.00 C ATOM 820 OE1 GLU A 51 -18.624 -1.446 -8.750 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.705 -3.172 -9.748 1.00 0.00 O ATOM 0 H GLU A 51 -13.245 -1.152 -10.239 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.728 1.418 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.721 0.584 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.250 -0.445 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.454 -2.164 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.089 -1.149 -7.945 1.00 0.00 H new ATOM 828 N ASP A 52 -14.447 1.530 -7.672 1.00 0.00 N ATOM 829 CA ASP A 52 -13.868 1.990 -6.403 1.00 0.00 C ATOM 830 C ASP A 52 -13.706 0.872 -5.383 1.00 0.00 C ATOM 831 O ASP A 52 -12.704 0.831 -4.668 1.00 0.00 O ATOM 832 CB ASP A 52 -14.725 3.130 -5.827 1.00 0.00 C ATOM 833 CG ASP A 52 -14.393 4.462 -6.500 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.219 4.887 -6.460 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.267 5.056 -7.171 1.00 0.00 O ATOM 0 H ASP A 52 -15.273 2.068 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.863 2.354 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.782 2.901 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.556 3.209 -4.753 1.00 0.00 H new ATOM 840 N GLY A 53 -14.675 -0.042 -5.345 1.00 0.00 N ATOM 841 CA GLY A 53 -14.736 -1.108 -4.354 1.00 0.00 C ATOM 842 C GLY A 53 -13.785 -2.273 -4.629 1.00 0.00 C ATOM 843 O GLY A 53 -13.633 -3.155 -3.779 1.00 0.00 O ATOM 0 H GLY A 53 -15.447 -0.060 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.508 -0.691 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.756 -1.489 -4.309 1.00 0.00 H new ATOM 847 N ARG A 54 -13.165 -2.321 -5.815 1.00 0.00 N ATOM 848 CA ARG A 54 -12.319 -3.432 -6.243 1.00 0.00 C ATOM 849 C ARG A 54 -10.873 -3.111 -5.948 1.00 0.00 C ATOM 850 O ARG A 54 -10.572 -2.021 -5.474 1.00 0.00 O ATOM 851 CB ARG A 54 -12.601 -3.690 -7.723 1.00 0.00 C ATOM 852 CG ARG A 54 -13.999 -4.308 -7.896 1.00 0.00 C ATOM 853 CD ARG A 54 -14.321 -4.627 -9.354 1.00 0.00 C ATOM 854 NE ARG A 54 -15.695 -5.123 -9.506 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.096 -6.398 -9.501 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.233 -7.396 -9.335 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.388 -6.658 -9.668 1.00 0.00 N ATOM 0 H ARG A 54 -13.241 -1.578 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.540 -4.349 -5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.536 -2.756 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.846 -4.360 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.065 -5.221 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.748 -3.620 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.187 -3.732 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.620 -5.374 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.422 -4.418 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.241 -7.196 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.563 -8.361 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.050 -5.893 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.718 -7.623 -9.668 1.00 0.00 H new ATOM 871 N THR A 55 -9.956 -4.017 -6.249 1.00 0.00 N ATOM 872 CA THR A 55 -8.543 -3.846 -5.951 1.00 0.00 C ATOM 873 C THR A 55 -7.725 -4.107 -7.195 1.00 0.00 C ATOM 874 O THR A 55 -8.222 -4.641 -8.185 1.00 0.00 O ATOM 875 CB THR A 55 -8.131 -4.815 -4.842 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.505 -6.130 -5.190 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.726 -4.492 -3.479 1.00 0.00 C ATOM 0 H THR A 55 -10.174 -4.900 -6.711 1.00 0.00 H new ATOM 0 HA THR A 55 -8.365 -2.824 -5.616 1.00 0.00 H new ATOM 0 HB THR A 55 -7.049 -4.714 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.711 -6.705 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.384 -5.226 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.407 -3.497 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.814 -4.521 -3.541 1.00 0.00 H new ATOM 885 N LEU A 56 -6.447 -3.749 -7.137 1.00 0.00 N ATOM 886 CA LEU A 56 -5.554 -3.981 -8.276 1.00 0.00 C ATOM 887 C LEU A 56 -5.460 -5.483 -8.563 1.00 0.00 C ATOM 888 O LEU A 56 -5.545 -5.920 -9.710 1.00 0.00 O ATOM 889 CB LEU A 56 -4.178 -3.341 -8.021 1.00 0.00 C ATOM 890 CG LEU A 56 -4.228 -1.867 -7.599 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.813 -1.317 -7.454 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.970 -1.025 -8.642 1.00 0.00 C ATOM 0 H LEU A 56 -6.008 -3.305 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.962 -3.502 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.665 -3.910 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.579 -3.426 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.755 -1.811 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.859 -0.270 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.276 -1.888 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.291 -1.399 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.992 0.016 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.456 -1.098 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.990 -1.394 -8.748 1.00 0.00 H new ATOM 904 N SER A 57 -5.394 -6.282 -7.506 1.00 0.00 N ATOM 905 CA SER A 57 -5.430 -7.731 -7.536 1.00 0.00 C ATOM 906 C SER A 57 -6.725 -8.281 -8.130 1.00 0.00 C ATOM 907 O SER A 57 -6.678 -9.310 -8.805 1.00 0.00 O ATOM 908 CB SER A 57 -5.247 -8.256 -6.117 1.00 0.00 C ATOM 909 OG SER A 57 -6.072 -7.572 -5.183 1.00 0.00 O ATOM 0 H SER A 57 -5.310 -5.914 -6.558 1.00 0.00 H new ATOM 0 HA SER A 57 -4.621 -8.070 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.478 -9.321 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.203 -8.150 -5.823 1.00 0.00 H new ATOM 0 HG SER A 57 -5.926 -7.940 -4.286 1.00 0.00 H new ATOM 915 N ASP A 58 -7.862 -7.598 -7.958 1.00 0.00 N ATOM 916 CA ASP A 58 -9.135 -8.041 -8.527 1.00 0.00 C ATOM 917 C ASP A 58 -9.128 -7.917 -10.059 1.00 0.00 C ATOM 918 O ASP A 58 -9.960 -8.509 -10.749 1.00 0.00 O ATOM 919 CB ASP A 58 -10.296 -7.261 -7.918 1.00 0.00 C ATOM 920 CG ASP A 58 -11.634 -7.948 -8.244 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.830 -9.126 -7.853 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.522 -7.294 -8.836 1.00 0.00 O ATOM 0 H ASP A 58 -7.924 -6.731 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.269 -9.095 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.169 -7.192 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.300 -6.242 -8.304 1.00 0.00 H new ATOM 927 N TYR A 59 -8.123 -7.206 -10.586 1.00 0.00 N ATOM 928 CA TYR A 59 -7.839 -7.005 -12.007 1.00 0.00 C ATOM 929 C TYR A 59 -6.491 -7.622 -12.407 1.00 0.00 C ATOM 930 O TYR A 59 -6.033 -7.471 -13.539 1.00 0.00 O ATOM 931 CB TYR A 59 -7.939 -5.508 -12.308 1.00 0.00 C ATOM 932 CG TYR A 59 -9.370 -5.030 -12.258 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.219 -5.347 -13.334 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.875 -4.354 -11.127 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.574 -4.985 -13.297 1.00 0.00 C ATOM 936 CE2 TYR A 59 -11.236 -4.025 -11.065 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.089 -4.326 -12.160 1.00 0.00 C ATOM 938 OH TYR A 59 -13.395 -3.936 -12.143 1.00 0.00 O ATOM 0 H TYR A 59 -7.446 -6.727 -9.992 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.575 -7.527 -12.619 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.342 -4.950 -11.587 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.520 -5.305 -13.294 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.826 -5.871 -14.192 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.216 -4.091 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.219 -5.209 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.636 -3.543 -10.185 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.972 -4.726 -12.088 1.00 0.00 H new ATOM 948 N ASN A 60 -5.882 -8.369 -11.479 1.00 0.00 N ATOM 949 CA ASN A 60 -4.633 -9.112 -11.598 1.00 0.00 C ATOM 950 C ASN A 60 -3.420 -8.251 -11.961 1.00 0.00 C ATOM 951 O ASN A 60 -2.395 -8.756 -12.425 1.00 0.00 O ATOM 952 CB ASN A 60 -4.808 -10.361 -12.486 1.00 0.00 C ATOM 953 CG ASN A 60 -4.036 -11.531 -11.893 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.017 -11.974 -12.415 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.521 -12.046 -10.771 1.00 0.00 N ATOM 0 H ASN A 60 -6.289 -8.475 -10.550 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.390 -9.471 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.865 -10.615 -12.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.452 -10.153 -13.495 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.045 -12.829 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.370 -11.659 -10.357 1.00 0.00 H new ATOM 962 N ILE A 61 -3.536 -6.942 -11.737 1.00 0.00 N ATOM 963 CA ILE A 61 -2.452 -5.978 -11.804 1.00 0.00 C ATOM 964 C ILE A 61 -1.449 -6.369 -10.709 1.00 0.00 C ATOM 965 O ILE A 61 -1.843 -6.775 -9.614 1.00 0.00 O ATOM 966 CB ILE A 61 -3.060 -4.586 -11.547 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.054 -4.166 -12.654 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.005 -3.478 -11.379 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.104 -3.185 -12.130 1.00 0.00 C ATOM 0 H ILE A 61 -4.429 -6.512 -11.494 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.944 -5.962 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.594 -4.693 -10.603 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.508 -3.708 -13.479 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.550 -5.051 -13.053 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.503 -2.525 -11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.361 -3.714 -10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.403 -3.409 -12.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.784 -2.914 -12.938 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.668 -3.652 -11.323 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.610 -2.289 -11.756 1.00 0.00 H new ATOM 981 N GLN A 62 -0.161 -6.197 -11.001 1.00 0.00 N ATOM 982 CA GLN A 62 0.947 -6.442 -10.086 1.00 0.00 C ATOM 983 C GLN A 62 1.777 -5.154 -10.013 1.00 0.00 C ATOM 984 O GLN A 62 1.339 -4.095 -10.462 1.00 0.00 O ATOM 985 CB GLN A 62 1.753 -7.657 -10.597 1.00 0.00 C ATOM 986 CG GLN A 62 0.895 -8.931 -10.715 1.00 0.00 C ATOM 987 CD GLN A 62 1.669 -10.114 -11.304 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.770 -10.453 -10.864 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.117 -10.769 -12.315 1.00 0.00 N ATOM 0 H GLN A 62 0.149 -5.871 -11.916 1.00 0.00 H new ATOM 0 HA GLN A 62 0.612 -6.687 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.181 -7.420 -11.571 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.586 -7.846 -9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.519 -9.203 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.027 -8.723 -11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.206 -10.481 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.603 -11.561 -12.736 1.00 0.00 H new ATOM 998 N LYS A 63 2.966 -5.203 -9.412 1.00 0.00 N ATOM 999 CA LYS A 63 3.914 -4.100 -9.416 1.00 0.00 C ATOM 1000 C LYS A 63 4.364 -3.771 -10.827 1.00 0.00 C ATOM 1001 O LYS A 63 4.181 -4.560 -11.756 1.00 0.00 O ATOM 1002 CB LYS A 63 5.118 -4.464 -8.536 1.00 0.00 C ATOM 1003 CG LYS A 63 6.113 -5.458 -9.139 1.00 0.00 C ATOM 1004 CD LYS A 63 7.074 -5.900 -8.026 1.00 0.00 C ATOM 1005 CE LYS A 63 8.153 -6.874 -8.509 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.318 -6.209 -9.146 1.00 0.00 N ATOM 0 H LYS A 63 3.298 -6.023 -8.903 1.00 0.00 H new ATOM 0 HA LYS A 63 3.425 -3.213 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.654 -3.547 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.746 -4.876 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.588 -6.319 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.665 -4.996 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.554 -5.019 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.501 -6.370 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.502 -7.465 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.709 -7.570 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.043 -6.920 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.013 -5.737 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.715 -5.504 -8.493 1.00 0.00 H new ATOM 1020 N GLU A 64 5.009 -2.614 -10.923 1.00 0.00 N ATOM 1021 CA GLU A 64 5.557 -2.011 -12.124 1.00 0.00 C ATOM 1022 C GLU A 64 4.620 -2.242 -13.317 1.00 0.00 C ATOM 1023 O GLU A 64 5.021 -2.678 -14.399 1.00 0.00 O ATOM 1024 CB GLU A 64 7.050 -2.377 -12.291 1.00 0.00 C ATOM 1025 CG GLU A 64 7.384 -3.776 -12.814 1.00 0.00 C ATOM 1026 CD GLU A 64 8.850 -4.144 -12.537 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.735 -3.834 -13.373 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.122 -4.768 -11.482 1.00 0.00 O ATOM 0 H GLU A 64 5.173 -2.033 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 64 5.588 -0.924 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.500 -1.650 -12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.536 -2.256 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.728 -4.508 -12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.193 -3.820 -13.886 1.00 0.00 H new ATOM 1035 N SER A 65 3.334 -1.973 -13.077 1.00 0.00 N ATOM 1036 CA SER A 65 2.273 -2.232 -14.046 1.00 0.00 C ATOM 1037 C SER A 65 1.555 -0.926 -14.322 1.00 0.00 C ATOM 1038 O SER A 65 1.525 -0.044 -13.466 1.00 0.00 O ATOM 1039 CB SER A 65 1.308 -3.308 -13.536 1.00 0.00 C ATOM 1040 OG SER A 65 1.944 -4.575 -13.423 1.00 0.00 O ATOM 0 H SER A 65 3.001 -1.568 -12.202 1.00 0.00 H new ATOM 0 HA SER A 65 2.701 -2.615 -14.972 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.913 -3.011 -12.564 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.459 -3.386 -14.215 1.00 0.00 H new ATOM 0 HG SER A 65 2.728 -4.497 -12.841 1.00 0.00 H new ATOM 1046 N THR A 66 0.978 -0.802 -15.505 1.00 0.00 N ATOM 1047 CA THR A 66 0.449 0.457 -16.008 1.00 0.00 C ATOM 1048 C THR A 66 -1.070 0.453 -15.908 1.00 0.00 C ATOM 1049 O THR A 66 -1.715 -0.574 -16.082 1.00 0.00 O ATOM 1050 CB THR A 66 0.949 0.697 -17.452 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.350 0.478 -17.504 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.662 2.107 -17.989 1.00 0.00 C ATOM 0 H THR A 66 0.862 -1.582 -16.152 1.00 0.00 H new ATOM 0 HA THR A 66 0.811 1.286 -15.400 1.00 0.00 H new ATOM 0 HB THR A 66 0.400 -0.003 -18.082 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.671 0.628 -18.418 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.044 2.194 -19.006 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.413 2.285 -17.989 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.152 2.845 -17.354 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.628 1.630 -15.641 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.044 1.927 -15.489 1.00 0.00 C ATOM 1062 C LEU A 67 -3.386 3.124 -16.365 1.00 0.00 C ATOM 1063 O LEU A 67 -2.499 3.711 -16.980 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.277 2.261 -14.004 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.405 1.474 -13.354 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.034 -0.001 -13.250 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.642 2.016 -11.948 1.00 0.00 C ATOM 0 H LEU A 67 -1.055 2.464 -15.516 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.672 1.087 -15.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.355 2.074 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.493 3.325 -13.913 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.303 1.577 -13.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.852 -0.550 -12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.851 -0.401 -14.247 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.133 -0.108 -12.646 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.449 1.458 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.732 1.909 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.915 3.070 -12.005 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.647 3.540 -16.383 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.090 4.744 -17.085 1.00 0.00 C ATOM 1081 C HIS A 68 -5.930 5.590 -16.124 1.00 0.00 C ATOM 1082 O HIS A 68 -6.764 5.027 -15.411 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.933 4.351 -18.304 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.194 4.082 -19.590 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.943 3.521 -19.768 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.739 4.248 -20.833 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.764 3.333 -21.091 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.831 3.771 -21.773 1.00 0.00 N ATOM 0 H HIS A 68 -5.401 3.047 -15.906 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.227 5.316 -17.424 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.503 3.458 -18.048 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.654 5.147 -18.488 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.276 3.291 -19.031 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.707 4.676 -21.048 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.885 2.892 -21.538 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.779 6.922 -16.127 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.619 7.849 -15.371 1.00 0.00 C ATOM 1097 C LEU A 69 -7.473 8.560 -16.396 1.00 0.00 C ATOM 1098 O LEU A 69 -6.915 9.055 -17.375 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.668 8.857 -14.703 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.176 10.098 -13.981 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.641 11.231 -14.893 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.265 9.751 -12.993 1.00 0.00 C ATOM 0 H LEU A 69 -5.052 7.391 -16.668 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.240 7.363 -14.618 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.074 8.296 -13.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.984 9.204 -15.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.302 10.480 -13.454 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.984 12.069 -14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.812 11.554 -15.523 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.459 10.880 -15.522 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.606 10.658 -12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.101 9.290 -13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.875 9.054 -12.251 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.780 8.667 -16.163 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.650 9.515 -16.973 1.00 0.00 C ATOM 1116 C VAL A 70 -10.463 10.405 -16.044 1.00 0.00 C ATOM 1117 O VAL A 70 -10.572 10.141 -14.847 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.521 8.689 -17.947 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.788 7.516 -18.598 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.777 8.076 -17.329 1.00 0.00 C ATOM 0 H VAL A 70 -9.262 8.172 -15.413 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.046 10.154 -17.617 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.787 9.452 -18.679 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.468 6.988 -19.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.937 7.890 -19.167 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.436 6.833 -17.825 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.321 7.516 -18.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.493 7.405 -16.518 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.414 8.869 -16.937 1.00 0.00 H new ATOM 1130 N LEU A 71 -11.100 11.416 -16.619 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.932 12.364 -15.908 1.00 0.00 C ATOM 1132 C LEU A 71 -13.363 12.014 -16.238 1.00 0.00 C ATOM 1133 O LEU A 71 -13.719 11.944 -17.408 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.598 13.768 -16.429 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.101 14.999 -15.661 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.439 15.461 -16.255 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.201 14.790 -14.146 1.00 0.00 C ATOM 0 H LEU A 71 -11.048 11.600 -17.621 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.772 12.335 -14.830 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.512 13.843 -16.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.982 13.839 -17.447 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.353 15.782 -15.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.797 16.335 -15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.301 15.719 -17.305 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.171 14.657 -16.172 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.563 15.704 -13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.894 13.975 -13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.217 14.542 -13.747 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.187 11.873 -15.214 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.607 11.542 -15.346 1.00 0.00 C ATOM 1151 C ARG A 72 -16.515 12.604 -14.745 1.00 0.00 C ATOM 1152 O ARG A 72 -17.666 12.316 -14.469 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.866 10.096 -14.859 1.00 0.00 C ATOM 1154 CG ARG A 72 -16.161 9.890 -13.347 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.605 9.395 -13.154 1.00 0.00 C ATOM 1156 NE ARG A 72 -18.003 9.252 -11.733 1.00 0.00 N ATOM 1157 CZ ARG A 72 -19.093 8.611 -11.282 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.910 7.986 -12.128 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -19.377 8.588 -9.989 1.00 0.00 N ATOM 0 H ARG A 72 -13.888 11.986 -14.246 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.878 11.555 -16.402 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.709 9.697 -15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.995 9.493 -15.117 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.461 9.168 -12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.014 10.826 -12.809 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.286 10.090 -13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.719 8.432 -13.652 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.394 9.679 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.710 7.992 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.736 7.502 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.765 9.061 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.208 8.098 -9.658 1.00 0.00 H new ATOM 1173 N LEU A 73 -16.005 13.823 -14.571 1.00 0.00 N ATOM 1174 CA LEU A 73 -16.735 15.058 -14.210 1.00 0.00 C ATOM 1175 C LEU A 73 -17.582 15.108 -12.922 1.00 0.00 C ATOM 1176 O LEU A 73 -17.819 16.218 -12.440 1.00 0.00 O ATOM 1177 CB LEU A 73 -17.670 15.499 -15.356 1.00 0.00 C ATOM 1178 CG LEU A 73 -17.095 15.552 -16.779 1.00 0.00 C ATOM 1179 CD1 LEU A 73 -17.110 14.173 -17.480 1.00 0.00 C ATOM 1180 CD2 LEU A 73 -17.887 16.601 -17.557 1.00 0.00 C ATOM 0 H LEU A 73 -15.006 13.995 -14.684 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.890 15.718 -14.016 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.525 14.824 -15.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.050 16.491 -15.113 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.042 15.831 -16.737 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.692 14.270 -18.482 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.512 13.466 -16.905 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.136 13.810 -17.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.504 16.665 -18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.939 16.317 -17.582 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.784 17.570 -17.069 1.00 0.00 H new ATOM 1192 N ARG A 74 -18.100 13.998 -12.383 1.00 0.00 N ATOM 1193 CA ARG A 74 -19.094 14.037 -11.292 1.00 0.00 C ATOM 1194 C ARG A 74 -18.486 14.589 -9.995 1.00 0.00 C ATOM 1195 O ARG A 74 -17.274 14.763 -9.901 1.00 0.00 O ATOM 1196 CB ARG A 74 -19.728 12.642 -11.085 1.00 0.00 C ATOM 1197 CG ARG A 74 -20.972 12.408 -11.973 1.00 0.00 C ATOM 1198 CD ARG A 74 -20.652 12.121 -13.449 1.00 0.00 C ATOM 1199 NE ARG A 74 -21.817 12.231 -14.347 1.00 0.00 N ATOM 1200 CZ ARG A 74 -22.932 11.491 -14.408 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -23.203 10.534 -13.521 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -23.774 11.738 -15.400 1.00 0.00 N ATOM 0 H ARG A 74 -17.849 13.056 -12.683 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.890 14.724 -11.581 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.984 11.875 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.009 12.528 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -21.541 11.571 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.614 13.287 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.881 12.814 -13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.236 11.117 -13.532 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.766 12.989 -15.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.550 10.343 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.063 9.992 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.561 12.468 -16.080 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.635 11.198 -15.484 1.00 0.00 H new ATOM 1216 N GLY A 75 -19.322 14.876 -9.000 1.00 0.00 N ATOM 1217 CA GLY A 75 -18.881 15.390 -7.705 1.00 0.00 C ATOM 1218 C GLY A 75 -20.052 15.526 -6.726 1.00 0.00 C ATOM 1219 O GLY A 75 -20.136 16.530 -6.012 1.00 0.00 O ATOM 0 H GLY A 75 -20.333 14.758 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -18.129 14.722 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.404 16.361 -7.841 1.00 0.00 H new ATOM 1223 N GLY A 76 -20.990 14.579 -6.742 1.00 0.00 N ATOM 1224 CA GLY A 76 -22.230 14.635 -5.980 1.00 0.00 C ATOM 1225 C GLY A 76 -23.117 13.468 -6.392 1.00 0.00 C ATOM 1226 O GLY A 76 -23.366 13.317 -7.611 1.00 0.00 O ATOM 1227 OXT GLY A 76 -23.549 12.706 -5.501 1.00 0.00 O ATOM 0 H GLY A 76 -20.903 13.731 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.018 14.588 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.742 15.580 -6.162 1.00 0.00 H new TER 1231 GLY A 76 ATOM 1232 N GLY B -3 -9.656 18.663 -31.527 1.00 0.00 N ATOM 1233 CA GLY B -3 -10.694 17.997 -30.696 1.00 0.00 C ATOM 1234 C GLY B -3 -10.145 16.814 -29.895 1.00 0.00 C ATOM 1235 O GLY B -3 -8.935 16.682 -29.711 1.00 0.00 O ATOM 0 H1 GLY B -3 -9.660 19.685 -31.335 1.00 0.00 H new ATOM 0 H2 GLY B -3 -8.721 18.271 -31.295 1.00 0.00 H new ATOM 0 H3 GLY B -3 -9.860 18.499 -32.534 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -11.125 18.725 -30.010 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -11.501 17.650 -31.341 1.00 0.00 H new ATOM 1241 N HIS B -2 -11.043 15.947 -29.403 1.00 0.00 N ATOM 1242 CA HIS B -2 -10.741 14.731 -28.627 1.00 0.00 C ATOM 1243 C HIS B -2 -9.842 15.000 -27.398 1.00 0.00 C ATOM 1244 O HIS B -2 -9.042 14.157 -26.989 1.00 0.00 O ATOM 1245 CB HIS B -2 -10.232 13.628 -29.578 1.00 0.00 C ATOM 1246 CG HIS B -2 -11.153 13.364 -30.751 1.00 0.00 C ATOM 1247 ND1 HIS B -2 -10.875 13.602 -32.078 1.00 0.00 N ATOM 1248 CD2 HIS B -2 -12.426 12.860 -30.695 1.00 0.00 C ATOM 1249 CE1 HIS B -2 -11.953 13.242 -32.801 1.00 0.00 C ATOM 1250 NE2 HIS B -2 -12.934 12.783 -31.999 1.00 0.00 N ATOM 0 H HIS B -2 -12.045 16.079 -29.541 1.00 0.00 H new ATOM 0 HA HIS B -2 -11.661 14.361 -28.174 1.00 0.00 H new ATOM 0 HB2 HIS B -2 -9.249 13.911 -29.955 1.00 0.00 H new ATOM 0 HB3 HIS B -2 -10.103 12.705 -29.013 1.00 0.00 H new ATOM 0 HD2 HIS B -2 -12.950 12.570 -29.796 1.00 0.00 H new ATOM 0 HE1 HIS B -2 -12.022 13.312 -33.877 1.00 0.00 H new ATOM 0 HE2 HIS B -2 -13.855 12.449 -32.282 1.00 0.00 H new ATOM 1257 N MET B -1 -9.981 16.193 -26.817 1.00 0.00 N ATOM 1258 CA MET B -1 -9.265 16.700 -25.652 1.00 0.00 C ATOM 1259 C MET B -1 -10.110 17.868 -25.129 1.00 0.00 C ATOM 1260 O MET B -1 -10.684 18.604 -25.938 1.00 0.00 O ATOM 1261 CB MET B -1 -7.849 17.132 -26.090 1.00 0.00 C ATOM 1262 CG MET B -1 -7.074 17.989 -25.083 1.00 0.00 C ATOM 1263 SD MET B -1 -7.412 19.770 -25.167 1.00 0.00 S ATOM 1264 CE MET B -1 -6.287 20.354 -23.872 1.00 0.00 C ATOM 0 H MET B -1 -10.646 16.877 -27.177 1.00 0.00 H new ATOM 0 HA MET B -1 -9.132 15.961 -24.862 1.00 0.00 H new ATOM 0 HB2 MET B -1 -7.265 16.236 -26.302 1.00 0.00 H new ATOM 0 HB3 MET B -1 -7.931 17.687 -27.024 1.00 0.00 H new ATOM 0 HG2 MET B -1 -7.305 17.638 -24.077 1.00 0.00 H new ATOM 0 HG3 MET B -1 -6.007 17.830 -25.239 1.00 0.00 H new ATOM 0 HE1 MET B -1 -6.034 21.398 -24.054 1.00 0.00 H new ATOM 0 HE2 MET B -1 -6.772 20.262 -22.900 1.00 0.00 H new ATOM 0 HE3 MET B -1 -5.378 19.753 -23.882 1.00 0.00 H new ATOM 1274 N PHE B 679 -10.224 18.016 -23.801 1.00 0.00 N ATOM 1275 CA PHE B 679 -11.059 19.046 -23.176 1.00 0.00 C ATOM 1276 C PHE B 679 -10.214 19.742 -22.094 1.00 0.00 C ATOM 1277 O PHE B 679 -9.595 20.747 -22.448 1.00 0.00 O ATOM 1278 CB PHE B 679 -12.426 18.466 -22.761 1.00 0.00 C ATOM 1279 CG PHE B 679 -13.393 18.294 -23.922 1.00 0.00 C ATOM 1280 CD1 PHE B 679 -13.313 17.154 -24.743 1.00 0.00 C ATOM 1281 CD2 PHE B 679 -14.381 19.264 -24.178 1.00 0.00 C ATOM 1282 CE1 PHE B 679 -14.211 16.981 -25.813 1.00 0.00 C ATOM 1283 CE2 PHE B 679 -15.280 19.092 -25.248 1.00 0.00 C ATOM 1284 CZ PHE B 679 -15.196 17.951 -26.066 1.00 0.00 C ATOM 0 H PHE B 679 -9.737 17.422 -23.130 1.00 0.00 H new ATOM 0 HA PHE B 679 -11.352 19.838 -23.865 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -12.271 17.499 -22.282 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -12.878 19.121 -22.017 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -12.557 16.407 -24.551 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -14.449 20.142 -23.552 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -14.143 16.104 -26.439 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -16.036 19.838 -25.441 1.00 0.00 H new ATOM 0 HZ PHE B 679 -15.886 17.821 -26.886 1.00 0.00 H new ATOM 1294 N PRO B 680 -10.092 19.267 -20.837 1.00 0.00 N ATOM 1295 CA PRO B 680 -9.101 19.832 -19.933 1.00 0.00 C ATOM 1296 C PRO B 680 -7.708 19.332 -20.353 1.00 0.00 C ATOM 1297 O PRO B 680 -7.579 18.340 -21.077 1.00 0.00 O ATOM 1298 CB PRO B 680 -9.516 19.369 -18.532 1.00 0.00 C ATOM 1299 CG PRO B 680 -10.200 18.029 -18.781 1.00 0.00 C ATOM 1300 CD PRO B 680 -10.828 18.200 -20.165 1.00 0.00 C ATOM 0 HA PRO B 680 -9.052 20.921 -19.954 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -8.654 19.262 -17.874 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -10.192 20.081 -18.059 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -9.487 17.205 -18.763 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -10.953 17.816 -18.022 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -10.767 17.272 -20.734 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -11.885 18.454 -20.081 1.00 0.00 H new ATOM 1308 N SER B 681 -6.656 19.964 -19.831 1.00 0.00 N ATOM 1309 CA SER B 681 -5.256 19.628 -20.098 1.00 0.00 C ATOM 1310 C SER B 681 -4.875 18.196 -19.679 1.00 0.00 C ATOM 1311 O SER B 681 -3.803 17.712 -20.032 1.00 0.00 O ATOM 1312 CB SER B 681 -4.357 20.662 -19.403 1.00 0.00 C ATOM 1313 OG SER B 681 -4.825 21.985 -19.652 1.00 0.00 O ATOM 0 H SER B 681 -6.758 20.750 -19.189 1.00 0.00 H new ATOM 0 HA SER B 681 -5.109 19.661 -21.178 1.00 0.00 H new ATOM 0 HB2 SER B 681 -4.340 20.473 -18.330 1.00 0.00 H new ATOM 0 HB3 SER B 681 -3.333 20.560 -19.761 1.00 0.00 H new ATOM 0 HG SER B 681 -4.241 22.629 -19.200 1.00 0.00 H new ATOM 1319 N ASP B 682 -5.747 17.510 -18.929 1.00 0.00 N ATOM 1320 CA ASP B 682 -5.621 16.123 -18.483 1.00 0.00 C ATOM 1321 C ASP B 682 -5.796 15.077 -19.571 1.00 0.00 C ATOM 1322 O ASP B 682 -5.618 13.893 -19.299 1.00 0.00 O ATOM 1323 CB ASP B 682 -6.704 15.865 -17.443 1.00 0.00 C ATOM 1324 CG ASP B 682 -6.529 14.539 -16.680 1.00 0.00 C ATOM 1325 OD1 ASP B 682 -5.419 14.285 -16.154 1.00 0.00 O ATOM 1326 OD2 ASP B 682 -7.539 13.808 -16.551 1.00 0.00 O ATOM 0 H ASP B 682 -6.612 17.938 -18.599 1.00 0.00 H new ATOM 0 HA ASP B 682 -4.603 16.022 -18.105 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -6.711 16.687 -16.727 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -7.676 15.864 -17.937 1.00 0.00 H new ATOM 1331 N ILE B 683 -6.127 15.480 -20.799 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.523 14.556 -21.843 1.00 0.00 C ATOM 1333 C ILE B 683 -5.725 14.874 -23.119 1.00 0.00 C ATOM 1334 O ILE B 683 -5.367 16.026 -23.367 1.00 0.00 O ATOM 1335 CB ILE B 683 -8.047 14.646 -22.049 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.946 14.975 -20.822 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.550 13.345 -22.643 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -9.031 13.980 -19.649 1.00 0.00 C ATOM 0 H ILE B 683 -6.126 16.458 -21.090 1.00 0.00 H new ATOM 0 HA ILE B 683 -6.298 13.526 -21.566 1.00 0.00 H new ATOM 0 HB ILE B 683 -8.145 15.514 -22.701 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.607 15.928 -20.416 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.959 15.129 -21.193 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.628 13.405 -22.790 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -8.062 13.170 -23.602 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.322 12.523 -21.965 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.702 14.374 -18.886 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.412 13.024 -20.009 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -8.039 13.837 -19.221 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.442 13.852 -23.926 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.730 13.878 -25.202 1.00 0.00 C ATOM 1352 C ASP B 684 -5.323 12.738 -26.047 1.00 0.00 C ATOM 1353 O ASP B 684 -5.591 11.668 -25.481 1.00 0.00 O ATOM 1354 CB ASP B 684 -3.220 13.644 -25.010 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.504 13.519 -26.365 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.482 12.398 -26.931 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.965 14.534 -26.860 1.00 0.00 O ATOM 0 H ASP B 684 -5.730 12.904 -23.682 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.845 14.851 -25.681 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.790 14.469 -24.442 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -3.060 12.738 -24.426 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.568 12.929 -27.360 1.00 0.00 N ATOM 1363 CA PRO B 685 -6.232 11.933 -28.192 1.00 0.00 C ATOM 1364 C PRO B 685 -5.638 10.519 -28.111 1.00 0.00 C ATOM 1365 O PRO B 685 -6.390 9.550 -28.144 1.00 0.00 O ATOM 1366 CB PRO B 685 -6.164 12.476 -29.625 1.00 0.00 C ATOM 1367 CG PRO B 685 -6.106 13.990 -29.432 1.00 0.00 C ATOM 1368 CD PRO B 685 -5.333 14.149 -28.126 1.00 0.00 C ATOM 0 HA PRO B 685 -7.253 11.799 -27.834 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -5.286 12.105 -30.153 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -7.036 12.179 -30.208 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -5.599 14.482 -30.262 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -7.103 14.425 -29.365 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -4.269 14.289 -28.318 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.675 15.026 -27.576 1.00 0.00 H new ATOM 1376 N GLN B 686 -4.314 10.375 -27.987 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.651 9.078 -28.118 1.00 0.00 C ATOM 1378 C GLN B 686 -4.103 8.136 -26.998 1.00 0.00 C ATOM 1379 O GLN B 686 -4.653 7.064 -27.256 1.00 0.00 O ATOM 1380 CB GLN B 686 -2.125 9.274 -28.100 1.00 0.00 C ATOM 1381 CG GLN B 686 -1.621 10.100 -29.300 1.00 0.00 C ATOM 1382 CD GLN B 686 -0.209 10.632 -29.058 1.00 0.00 C ATOM 1383 OE1 GLN B 686 0.770 10.126 -29.603 1.00 0.00 O ATOM 1384 NE2 GLN B 686 -0.075 11.658 -28.228 1.00 0.00 N ATOM 0 H GLN B 686 -3.678 11.149 -27.795 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.929 8.622 -29.068 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.837 9.772 -27.174 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.637 8.299 -28.103 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -1.630 9.482 -30.198 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -2.300 10.934 -29.480 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -0.898 12.066 -27.784 1.00 0.00 H new ATOM 0 HE22 GLN B 686 0.851 12.039 -28.033 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.933 8.555 -25.740 1.00 0.00 N ATOM 1394 CA VAL B 687 -4.353 7.744 -24.603 1.00 0.00 C ATOM 1395 C VAL B 687 -5.867 7.582 -24.607 1.00 0.00 C ATOM 1396 O VAL B 687 -6.426 6.598 -24.131 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.953 8.384 -23.276 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -4.116 7.351 -22.151 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.533 8.959 -23.306 1.00 0.00 C ATOM 0 H VAL B 687 -3.509 9.448 -25.488 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.859 6.777 -24.700 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.613 9.231 -23.091 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.832 7.801 -21.200 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -5.155 7.026 -22.103 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.476 6.491 -22.351 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.299 9.402 -22.338 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.822 8.161 -23.521 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.466 9.723 -24.080 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.553 8.595 -25.107 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.984 8.614 -25.097 1.00 0.00 C ATOM 1411 C PHE B 688 -8.529 7.537 -26.048 1.00 0.00 C ATOM 1412 O PHE B 688 -9.519 6.887 -25.720 1.00 0.00 O ATOM 1413 CB PHE B 688 -8.374 10.047 -25.371 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.863 10.270 -25.575 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.801 9.923 -24.583 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -10.320 10.748 -26.817 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -12.175 10.111 -24.813 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.694 10.916 -27.055 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.622 10.610 -26.048 1.00 0.00 C ATOM 0 H PHE B 688 -6.124 9.420 -25.527 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.440 8.338 -24.146 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -8.038 10.666 -24.539 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.844 10.391 -26.259 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.464 9.511 -23.643 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.609 10.988 -27.593 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.889 9.871 -24.039 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -12.036 11.280 -28.012 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.678 10.758 -26.222 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.833 7.249 -27.150 1.00 0.00 N ATOM 1430 CA TYR B 689 -8.116 6.115 -28.019 1.00 0.00 C ATOM 1431 C TYR B 689 -7.617 4.789 -27.409 1.00 0.00 C ATOM 1432 O TYR B 689 -8.147 3.730 -27.741 1.00 0.00 O ATOM 1433 CB TYR B 689 -7.451 6.349 -29.385 1.00 0.00 C ATOM 1434 CG TYR B 689 -7.859 7.599 -30.154 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -9.163 8.139 -30.063 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.905 8.226 -30.987 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -9.501 9.302 -30.774 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -7.241 9.388 -31.701 1.00 0.00 C ATOM 1439 CZ TYR B 689 -8.541 9.937 -31.597 1.00 0.00 C ATOM 1440 OH TYR B 689 -8.860 11.058 -32.309 1.00 0.00 O ATOM 0 H TYR B 689 -7.043 7.811 -27.465 1.00 0.00 H new ATOM 0 HA TYR B 689 -9.197 6.034 -28.137 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.372 6.383 -29.234 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -7.658 5.483 -30.014 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -9.903 7.654 -29.443 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.912 7.810 -31.075 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -10.496 9.713 -30.692 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -6.505 9.864 -32.332 1.00 0.00 H new ATOM 0 HH TYR B 689 -9.655 11.478 -31.919 1.00 0.00 H new ATOM 1450 N GLU B 690 -6.625 4.821 -26.513 1.00 0.00 N ATOM 1451 CA GLU B 690 -6.039 3.681 -25.782 1.00 0.00 C ATOM 1452 C GLU B 690 -7.021 2.987 -24.804 1.00 0.00 C ATOM 1453 O GLU B 690 -6.640 2.042 -24.111 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.764 4.189 -25.084 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.628 3.168 -24.931 1.00 0.00 C ATOM 1456 CD GLU B 690 -2.335 3.773 -24.336 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -2.078 4.998 -24.454 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -1.510 3.005 -23.787 1.00 0.00 O ATOM 0 H GLU B 690 -6.177 5.701 -26.259 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.795 2.891 -26.492 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -4.384 5.044 -25.643 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -5.036 4.551 -24.093 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.966 2.352 -24.292 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -3.403 2.737 -25.906 1.00 0.00 H new ATOM 1465 N LEU B 691 -8.292 3.410 -24.743 1.00 0.00 N ATOM 1466 CA LEU B 691 -9.300 2.970 -23.767 1.00 0.00 C ATOM 1467 C LEU B 691 -10.619 2.627 -24.491 1.00 0.00 C ATOM 1468 O LEU B 691 -10.766 2.992 -25.654 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.413 4.080 -22.699 1.00 0.00 C ATOM 1470 CG LEU B 691 -10.405 5.223 -23.003 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -11.749 5.082 -22.294 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -9.802 6.517 -22.473 1.00 0.00 C ATOM 0 H LEU B 691 -8.661 4.097 -25.400 1.00 0.00 H new ATOM 0 HA LEU B 691 -9.019 2.049 -23.256 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -9.702 3.618 -21.755 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -8.424 4.515 -22.552 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.573 5.205 -24.080 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -12.390 5.923 -22.558 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -12.226 4.151 -22.601 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -11.592 5.071 -21.215 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.482 7.345 -22.674 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.643 6.431 -21.398 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -8.848 6.703 -22.967 1.00 0.00 H new ATOM 1484 N PRO B 692 -11.594 1.950 -23.855 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.780 1.427 -24.544 1.00 0.00 C ATOM 1486 C PRO B 692 -13.650 2.554 -25.102 1.00 0.00 C ATOM 1487 O PRO B 692 -13.848 3.565 -24.432 1.00 0.00 O ATOM 1488 CB PRO B 692 -13.536 0.630 -23.467 1.00 0.00 C ATOM 1489 CG PRO B 692 -13.154 1.381 -22.197 1.00 0.00 C ATOM 1490 CD PRO B 692 -11.672 1.609 -22.441 1.00 0.00 C ATOM 0 HA PRO B 692 -12.510 0.813 -25.403 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -14.613 0.634 -23.636 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -13.222 -0.413 -23.435 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -13.704 2.316 -22.087 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -13.340 0.794 -21.297 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -11.284 2.412 -21.815 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -11.088 0.717 -22.213 1.00 0.00 H new ATOM 1498 N GLU B 693 -14.243 2.365 -26.278 1.00 0.00 N ATOM 1499 CA GLU B 693 -15.110 3.366 -26.901 1.00 0.00 C ATOM 1500 C GLU B 693 -16.268 3.736 -25.974 1.00 0.00 C ATOM 1501 O GLU B 693 -16.671 4.891 -25.924 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.612 2.837 -28.258 1.00 0.00 C ATOM 1503 CG GLU B 693 -16.436 3.906 -28.994 1.00 0.00 C ATOM 1504 CD GLU B 693 -17.059 3.434 -30.322 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -16.467 2.597 -31.049 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -18.157 3.949 -30.649 1.00 0.00 O ATOM 0 H GLU B 693 -14.137 1.513 -26.828 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.540 4.278 -27.077 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -14.763 2.540 -28.873 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -16.221 1.946 -28.103 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -17.234 4.248 -28.335 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -15.796 4.766 -29.193 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.775 2.783 -25.197 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.905 2.990 -24.299 1.00 0.00 C ATOM 1515 C ALA B 694 -17.592 3.998 -23.193 1.00 0.00 C ATOM 1516 O ALA B 694 -18.365 4.920 -22.941 1.00 0.00 O ATOM 1517 CB ALA B 694 -18.246 1.633 -23.697 1.00 0.00 C ATOM 0 H ALA B 694 -16.407 1.832 -25.174 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.744 3.405 -24.857 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -19.090 1.739 -23.015 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.509 0.937 -24.494 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.384 1.250 -23.151 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.431 3.859 -22.543 1.00 0.00 N ATOM 1524 CA VAL B 695 -16.059 4.818 -21.500 1.00 0.00 C ATOM 1525 C VAL B 695 -15.679 6.131 -22.176 1.00 0.00 C ATOM 1526 O VAL B 695 -15.992 7.187 -21.636 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.963 4.280 -20.563 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.755 5.237 -19.381 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -15.317 2.907 -19.969 1.00 0.00 C ATOM 0 H VAL B 695 -15.753 3.116 -22.713 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.911 4.990 -20.842 1.00 0.00 H new ATOM 0 HB VAL B 695 -14.064 4.191 -21.173 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.977 4.844 -18.727 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.454 6.216 -19.754 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.686 5.332 -18.822 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.510 2.574 -19.316 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -16.240 2.986 -19.394 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -15.452 2.186 -20.775 1.00 0.00 H new ATOM 1539 N GLN B 696 -15.099 6.099 -23.386 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.890 7.338 -24.121 1.00 0.00 C ATOM 1541 C GLN B 696 -16.233 8.034 -24.362 1.00 0.00 C ATOM 1542 O GLN B 696 -16.315 9.247 -24.220 1.00 0.00 O ATOM 1543 CB GLN B 696 -14.186 7.129 -25.467 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.750 6.615 -25.396 1.00 0.00 C ATOM 1545 CD GLN B 696 -12.238 6.337 -26.814 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.260 7.197 -27.691 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.850 5.105 -27.107 1.00 0.00 N ATOM 0 H GLN B 696 -14.778 5.253 -23.857 1.00 0.00 H new ATOM 0 HA GLN B 696 -14.238 7.957 -23.505 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.774 6.426 -26.057 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -14.186 8.076 -26.006 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -12.113 7.350 -24.905 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.707 5.705 -24.797 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.831 4.390 -26.380 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.570 4.871 -28.060 1.00 0.00 H new ATOM 1556 N LYS B 697 -17.293 7.282 -24.680 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.655 7.788 -24.875 1.00 0.00 C ATOM 1558 C LYS B 697 -19.102 8.577 -23.648 1.00 0.00 C ATOM 1559 O LYS B 697 -19.625 9.679 -23.808 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.619 6.608 -25.150 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.634 6.833 -26.279 1.00 0.00 C ATOM 1562 CD LYS B 697 -20.226 6.176 -27.612 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.995 6.833 -28.267 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.886 6.492 -29.715 1.00 0.00 N ATOM 0 H LYS B 697 -17.223 6.273 -24.813 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.670 8.457 -25.736 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -19.026 5.725 -25.389 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -20.165 6.386 -24.233 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.602 6.439 -25.970 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.761 7.904 -26.435 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -20.016 5.120 -27.439 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -21.066 6.225 -28.305 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -19.057 7.915 -28.153 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -18.092 6.509 -27.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -18.176 7.105 -30.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -18.599 5.498 -29.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -19.807 6.635 -30.176 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.852 8.039 -22.446 1.00 0.00 N ATOM 1579 CA GLU B 698 -19.176 8.743 -21.192 1.00 0.00 C ATOM 1580 C GLU B 698 -18.481 10.097 -21.200 1.00 0.00 C ATOM 1581 O GLU B 698 -19.097 11.144 -21.024 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.698 7.994 -19.921 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.785 7.985 -18.838 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.688 6.745 -18.940 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.707 6.792 -19.667 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.371 5.732 -18.271 1.00 0.00 O ATOM 0 H GLU B 698 -18.428 7.121 -22.313 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.262 8.821 -21.152 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.430 6.969 -20.179 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.798 8.470 -19.532 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.317 8.013 -17.854 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.393 8.885 -18.927 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.164 10.013 -21.409 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.224 11.104 -21.284 1.00 0.00 C ATOM 1595 C LEU B 699 -16.623 12.205 -22.241 1.00 0.00 C ATOM 1596 O LEU B 699 -17.039 13.252 -21.779 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.815 10.550 -21.562 1.00 0.00 C ATOM 1598 CG LEU B 699 -14.046 10.023 -20.341 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.891 9.367 -19.242 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -13.013 9.015 -20.853 1.00 0.00 C ATOM 0 H LEU B 699 -16.715 9.139 -21.682 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.225 11.534 -20.283 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.901 9.742 -22.289 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.222 11.337 -22.028 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.604 10.894 -19.857 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.241 9.034 -18.433 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.610 10.089 -18.856 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.423 8.510 -19.655 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.445 8.617 -20.012 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.523 8.199 -21.365 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.334 9.510 -21.547 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.579 11.972 -23.550 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.821 13.002 -24.556 1.00 0.00 C ATOM 1614 C LEU B 700 -18.207 13.624 -24.431 1.00 0.00 C ATOM 1615 O LEU B 700 -18.337 14.831 -24.627 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.565 12.474 -25.976 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.469 11.298 -26.396 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.657 11.738 -27.258 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.658 10.239 -27.152 1.00 0.00 C ATOM 0 H LEU B 700 -16.373 11.055 -23.946 1.00 0.00 H new ATOM 0 HA LEU B 700 -16.103 13.800 -24.365 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.702 13.292 -26.684 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.524 12.160 -26.050 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.869 10.875 -25.474 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -19.257 10.867 -27.523 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -19.270 12.445 -26.699 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -18.290 12.216 -28.167 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -17.313 9.417 -27.440 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -16.221 10.685 -28.045 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.863 9.861 -26.509 1.00 0.00 H new ATOM 1631 N ALA B 701 -19.232 12.828 -24.109 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.590 13.335 -24.055 1.00 0.00 C ATOM 1633 C ALA B 701 -20.735 14.293 -22.880 1.00 0.00 C ATOM 1634 O ALA B 701 -21.232 15.403 -23.061 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.570 12.166 -23.958 1.00 0.00 C ATOM 0 H ALA B 701 -19.139 11.837 -23.885 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.818 13.889 -24.966 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.590 12.549 -23.917 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.458 11.524 -24.831 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.362 11.591 -23.056 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.253 13.906 -21.699 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.250 14.786 -20.541 1.00 0.00 C ATOM 1643 C GLU B 702 -19.317 15.965 -20.771 1.00 0.00 C ATOM 1644 O GLU B 702 -19.696 17.092 -20.461 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.793 14.001 -19.310 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.756 12.954 -18.760 1.00 0.00 C ATOM 1647 CD GLU B 702 -22.012 13.565 -18.115 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.882 14.097 -18.844 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.162 13.479 -16.870 1.00 0.00 O ATOM 0 H GLU B 702 -19.858 12.982 -21.523 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.259 15.166 -20.383 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.855 13.503 -19.555 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.577 14.714 -18.514 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -21.058 12.288 -19.568 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.236 12.344 -18.021 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.129 15.727 -21.339 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.090 16.735 -21.481 1.00 0.00 C ATOM 1658 C TRP B 703 -17.614 17.915 -22.312 1.00 0.00 C ATOM 1659 O TRP B 703 -17.359 19.069 -21.965 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.821 16.159 -22.140 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.923 15.177 -21.411 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.889 14.868 -20.091 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.892 14.327 -22.004 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.946 13.885 -19.852 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.225 13.594 -20.979 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.461 14.088 -23.324 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.153 12.726 -21.233 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.412 13.196 -23.606 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.762 12.517 -22.564 1.00 0.00 C ATOM 0 H TRP B 703 -17.866 14.816 -21.715 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.823 17.077 -20.481 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.137 15.674 -23.064 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.198 17.008 -22.423 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.510 15.324 -19.334 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.805 13.433 -18.949 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.948 14.603 -24.139 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.640 12.230 -20.422 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.105 13.033 -24.628 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.958 11.831 -22.787 1.00 0.00 H new ATOM 1680 N LYS B 704 -18.373 17.644 -23.388 1.00 0.00 N ATOM 1681 CA LYS B 704 -18.967 18.698 -24.216 1.00 0.00 C ATOM 1682 C LYS B 704 -20.295 19.209 -23.653 1.00 0.00 C ATOM 1683 O LYS B 704 -20.671 20.346 -23.945 1.00 0.00 O ATOM 1684 CB LYS B 704 -19.080 18.229 -25.676 1.00 0.00 C ATOM 1685 CG LYS B 704 -20.232 17.251 -25.949 1.00 0.00 C ATOM 1686 CD LYS B 704 -20.060 16.593 -27.327 1.00 0.00 C ATOM 1687 CE LYS B 704 -21.098 15.493 -27.570 1.00 0.00 C ATOM 1688 NZ LYS B 704 -22.445 16.028 -27.922 1.00 0.00 N ATOM 0 H LYS B 704 -18.588 16.698 -23.702 1.00 0.00 H new ATOM 0 HA LYS B 704 -18.298 19.559 -24.195 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -19.204 19.103 -26.315 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -18.142 17.754 -25.964 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -20.259 16.485 -25.174 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -21.184 17.780 -25.908 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -20.147 17.352 -28.105 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -19.058 16.170 -27.405 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -20.750 14.844 -28.374 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -21.181 14.876 -26.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -23.103 15.238 -28.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -22.795 16.625 -27.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -22.377 16.595 -28.791 1.00 0.00 H new ATOM 1702 N ARG B 705 -21.013 18.403 -22.861 1.00 0.00 N ATOM 1703 CA ARG B 705 -22.248 18.841 -22.208 1.00 0.00 C ATOM 1704 C ARG B 705 -21.954 19.927 -21.187 1.00 0.00 C ATOM 1705 O ARG B 705 -22.665 20.935 -21.177 1.00 0.00 O ATOM 1706 CB ARG B 705 -22.975 17.658 -21.542 1.00 0.00 C ATOM 1707 CG ARG B 705 -24.057 17.084 -22.471 1.00 0.00 C ATOM 1708 CD ARG B 705 -24.471 15.635 -22.146 1.00 0.00 C ATOM 1709 NE ARG B 705 -24.567 15.358 -20.701 1.00 0.00 N ATOM 1710 CZ ARG B 705 -25.551 15.663 -19.848 1.00 0.00 C ATOM 1711 NH1 ARG B 705 -26.655 16.296 -20.249 1.00 0.00 N ATOM 1712 NH2 ARG B 705 -25.382 15.315 -18.579 1.00 0.00 N ATOM 0 H ARG B 705 -20.755 17.437 -22.657 1.00 0.00 H new ATOM 0 HA ARG B 705 -22.906 19.251 -22.974 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -22.255 16.879 -21.291 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -23.430 17.985 -20.607 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -24.939 17.722 -22.419 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -23.695 17.124 -23.498 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -25.435 15.428 -22.612 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -23.748 14.951 -22.591 1.00 0.00 H new ATOM 0 HE ARG B 705 -23.772 14.865 -20.295 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -26.764 16.560 -21.228 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -27.390 16.516 -19.576 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -24.529 14.836 -18.291 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -26.105 15.527 -17.892 1.00 0.00 H new ATOM 1726 N THR B 706 -20.934 19.758 -20.341 1.00 0.00 N ATOM 1727 CA THR B 706 -20.510 20.846 -19.476 1.00 0.00 C ATOM 1728 C THR B 706 -19.872 21.933 -20.354 1.00 0.00 C ATOM 1729 O THR B 706 -20.270 23.102 -20.281 1.00 0.00 O ATOM 1730 CB THR B 706 -19.554 20.339 -18.386 1.00 0.00 C ATOM 1731 OG1 THR B 706 -18.508 19.580 -18.964 1.00 0.00 O ATOM 1732 CG2 THR B 706 -20.287 19.448 -17.372 1.00 0.00 C ATOM 0 H THR B 706 -20.400 18.895 -20.242 1.00 0.00 H new ATOM 0 HA THR B 706 -21.366 21.272 -18.952 1.00 0.00 H new ATOM 0 HB THR B 706 -19.152 21.215 -17.876 1.00 0.00 H new ATOM 0 HG1 THR B 706 -17.822 19.399 -18.287 1.00 0.00 H new ATOM 0 HG21 THR B 706 -19.583 19.105 -16.613 1.00 0.00 H new ATOM 0 HG22 THR B 706 -21.084 20.019 -16.896 1.00 0.00 H new ATOM 0 HG23 THR B 706 -20.714 18.587 -17.886 1.00 0.00 H new ATOM 1740 N GLY B 707 -18.972 21.509 -21.249 1.00 0.00 N ATOM 1741 CA GLY B 707 -18.344 22.324 -22.273 1.00 0.00 C ATOM 1742 C GLY B 707 -17.699 23.578 -21.679 1.00 0.00 C ATOM 1743 O GLY B 707 -17.928 24.680 -22.220 1.00 0.00 O ATOM 1744 OXT GLY B 707 -16.950 23.450 -20.683 1.00 0.00 O ATOM 0 H GLY B 707 -18.653 20.541 -21.272 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -17.587 21.737 -22.793 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -19.088 22.614 -23.015 1.00 0.00 H new TER 1748 GLY B 707