USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -68:sc= 1.59 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.13 K(o=2.7,f=1.5) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.228 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00697 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.25 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.545 K(o=-0.55,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.821 (180deg=-0.666!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.0689 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.71) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0.719 (180deg=0.712) USER MOD Single : A 40 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= 0.772 K(o=0.77,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.65 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 73:sc= 0.689 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 62 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00296 X(o=-0.003,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.903 51.738 19.775 1.00 0.00 N ATOM 2 CA MET A 1 33.196 52.020 21.189 1.00 0.00 C ATOM 3 C MET A 1 34.661 52.422 21.378 1.00 0.00 C ATOM 4 O MET A 1 35.538 51.918 20.681 1.00 0.00 O ATOM 5 CB MET A 1 32.783 50.883 22.119 1.00 0.00 C ATOM 6 CG MET A 1 33.617 49.611 22.004 1.00 0.00 C ATOM 7 SD MET A 1 33.133 48.319 23.178 1.00 0.00 S ATOM 8 CE MET A 1 34.503 47.162 22.938 1.00 0.00 C ATOM 0 H1 MET A 1 31.875 51.651 19.644 1.00 0.00 H new ATOM 0 H2 MET A 1 33.263 52.515 19.184 1.00 0.00 H new ATOM 0 H3 MET A 1 33.364 50.848 19.496 1.00 0.00 H new ATOM 0 HA MET A 1 32.580 52.872 21.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.835 51.240 23.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.741 50.634 21.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.531 49.220 20.990 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.667 49.859 22.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.368 46.298 23.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.525 46.834 21.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.443 47.656 23.182 1.00 0.00 H new ATOM 20 N GLN A 2 34.935 53.287 22.350 1.00 0.00 N ATOM 21 CA GLN A 2 36.271 53.689 22.742 1.00 0.00 C ATOM 22 C GLN A 2 36.885 52.674 23.708 1.00 0.00 C ATOM 23 O GLN A 2 36.196 52.217 24.617 1.00 0.00 O ATOM 24 CB GLN A 2 36.175 55.079 23.362 1.00 0.00 C ATOM 25 CG GLN A 2 37.514 55.697 23.758 1.00 0.00 C ATOM 26 CD GLN A 2 37.333 57.134 24.252 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.525 58.105 23.523 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.927 57.331 25.503 1.00 0.00 N ATOM 0 H GLN A 2 34.205 53.739 22.901 1.00 0.00 H new ATOM 0 HA GLN A 2 36.930 53.722 21.875 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.679 55.744 22.655 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.540 55.024 24.246 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.978 55.096 24.540 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.190 55.685 22.903 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.764 56.534 26.118 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.778 58.279 25.848 1.00 0.00 H new ATOM 37 N ILE A 3 38.173 52.370 23.579 1.00 0.00 N ATOM 38 CA ILE A 3 38.967 51.696 24.587 1.00 0.00 C ATOM 39 C ILE A 3 40.342 52.353 24.730 1.00 0.00 C ATOM 40 O ILE A 3 40.770 53.116 23.866 1.00 0.00 O ATOM 41 CB ILE A 3 39.091 50.193 24.358 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.856 49.844 23.084 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.735 49.498 24.429 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.239 48.372 22.960 1.00 0.00 C ATOM 0 H ILE A 3 38.706 52.596 22.739 1.00 0.00 H new ATOM 0 HA ILE A 3 38.427 51.810 25.527 1.00 0.00 H new ATOM 0 HB ILE A 3 39.695 49.806 25.179 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.249 50.122 22.223 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.763 50.447 23.043 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.865 48.429 24.261 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.294 49.660 25.413 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.075 49.908 23.664 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.779 48.214 22.026 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.875 48.090 23.799 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.337 47.760 22.966 1.00 0.00 H new ATOM 56 N PHE A 4 41.064 52.014 25.794 1.00 0.00 N ATOM 57 CA PHE A 4 42.426 52.446 26.030 1.00 0.00 C ATOM 58 C PHE A 4 43.375 51.252 26.158 1.00 0.00 C ATOM 59 O PHE A 4 42.981 50.200 26.658 1.00 0.00 O ATOM 60 CB PHE A 4 42.484 53.314 27.284 1.00 0.00 C ATOM 61 CG PHE A 4 41.516 54.473 27.302 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.806 55.641 26.586 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.326 54.380 28.035 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.918 56.724 26.620 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.435 55.460 28.064 1.00 0.00 C ATOM 66 CZ PHE A 4 39.734 56.633 27.361 1.00 0.00 C ATOM 0 H PHE A 4 40.701 51.413 26.534 1.00 0.00 H new ATOM 0 HA PHE A 4 42.752 53.035 25.173 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.290 52.685 28.153 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.496 53.704 27.392 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.715 55.707 26.007 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.096 53.475 28.578 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.147 57.628 26.075 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.517 55.388 28.629 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.050 57.469 27.390 1.00 0.00 H new ATOM 76 N VAL A 5 44.631 51.416 25.757 1.00 0.00 N ATOM 77 CA VAL A 5 45.692 50.442 25.920 1.00 0.00 C ATOM 78 C VAL A 5 46.919 51.141 26.507 1.00 0.00 C ATOM 79 O VAL A 5 47.447 52.069 25.900 1.00 0.00 O ATOM 80 CB VAL A 5 46.033 49.752 24.603 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.023 48.613 24.836 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.812 49.167 23.899 1.00 0.00 C ATOM 0 H VAL A 5 44.945 52.267 25.291 1.00 0.00 H new ATOM 0 HA VAL A 5 45.353 49.662 26.602 1.00 0.00 H new ATOM 0 HB VAL A 5 46.463 50.527 23.968 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.255 48.132 23.886 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.938 49.011 25.274 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.583 47.882 25.515 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.122 48.690 22.969 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.339 48.428 24.545 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.102 49.964 23.679 1.00 0.00 H new ATOM 92 N LYS A 6 47.377 50.709 27.679 1.00 0.00 N ATOM 93 CA LYS A 6 48.551 51.244 28.339 1.00 0.00 C ATOM 94 C LYS A 6 49.792 50.396 28.049 1.00 0.00 C ATOM 95 O LYS A 6 49.753 49.183 28.240 1.00 0.00 O ATOM 96 CB LYS A 6 48.291 51.422 29.833 1.00 0.00 C ATOM 97 CG LYS A 6 49.353 52.322 30.459 1.00 0.00 C ATOM 98 CD LYS A 6 49.109 52.632 31.933 1.00 0.00 C ATOM 99 CE LYS A 6 49.207 51.382 32.802 1.00 0.00 C ATOM 100 NZ LYS A 6 49.360 51.725 34.225 1.00 0.00 N ATOM 0 H LYS A 6 46.927 49.959 28.204 1.00 0.00 H new ATOM 0 HA LYS A 6 48.759 52.233 27.930 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.303 51.855 29.987 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.293 50.450 30.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.327 51.845 30.355 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.396 53.259 29.903 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.836 53.369 32.274 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.122 53.080 32.051 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.313 50.773 32.668 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.055 50.779 32.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.424 50.853 34.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.226 52.285 34.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.538 52.280 34.539 1.00 0.00 H new ATOM 114 N THR A 7 50.880 51.018 27.605 1.00 0.00 N ATOM 115 CA THR A 7 52.153 50.370 27.355 1.00 0.00 C ATOM 116 C THR A 7 52.934 50.117 28.646 1.00 0.00 C ATOM 117 O THR A 7 52.628 50.710 29.678 1.00 0.00 O ATOM 118 CB THR A 7 53.000 51.156 26.358 1.00 0.00 C ATOM 119 OG1 THR A 7 53.501 52.352 26.913 1.00 0.00 O ATOM 120 CG2 THR A 7 52.225 51.530 25.097 1.00 0.00 C ATOM 0 H THR A 7 50.895 52.018 27.405 1.00 0.00 H new ATOM 0 HA THR A 7 51.925 49.400 26.913 1.00 0.00 H new ATOM 0 HB THR A 7 53.821 50.486 26.102 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.039 52.824 26.243 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.875 52.088 24.423 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.879 50.624 24.600 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.367 52.146 25.366 1.00 0.00 H new ATOM 128 N LEU A 8 53.970 49.284 28.629 1.00 0.00 N ATOM 129 CA LEU A 8 54.762 48.992 29.807 1.00 0.00 C ATOM 130 C LEU A 8 55.547 50.207 30.305 1.00 0.00 C ATOM 131 O LEU A 8 55.795 50.337 31.502 1.00 0.00 O ATOM 132 CB LEU A 8 55.666 47.796 29.519 1.00 0.00 C ATOM 133 CG LEU A 8 56.408 47.225 30.724 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.478 46.801 31.859 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.220 46.001 30.312 1.00 0.00 C ATOM 0 H LEU A 8 54.281 48.793 27.791 1.00 0.00 H new ATOM 0 HA LEU A 8 54.087 48.736 30.624 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.061 47.004 29.079 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.400 48.090 28.769 1.00 0.00 H new ATOM 0 HG LEU A 8 57.049 48.029 31.085 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.069 46.404 32.684 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.907 47.663 32.203 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.793 46.032 31.500 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.745 45.603 31.181 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.552 45.239 29.911 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.945 46.285 29.549 1.00 0.00 H new ATOM 147 N THR A 9 55.879 51.141 29.419 1.00 0.00 N ATOM 148 CA THR A 9 56.429 52.444 29.731 1.00 0.00 C ATOM 149 C THR A 9 55.365 53.509 30.004 1.00 0.00 C ATOM 150 O THR A 9 55.676 54.695 30.082 1.00 0.00 O ATOM 151 CB THR A 9 57.431 52.886 28.668 1.00 0.00 C ATOM 152 OG1 THR A 9 56.842 52.823 27.388 1.00 0.00 O ATOM 153 CG2 THR A 9 58.665 51.990 28.632 1.00 0.00 C ATOM 0 H THR A 9 55.764 50.997 28.416 1.00 0.00 H new ATOM 0 HA THR A 9 56.967 52.334 30.673 1.00 0.00 H new ATOM 0 HB THR A 9 57.724 53.903 28.927 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.493 53.110 26.714 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.349 52.344 27.860 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.164 52.019 29.601 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.365 50.966 28.409 1.00 0.00 H new ATOM 161 N GLY A 10 54.109 53.116 30.198 1.00 0.00 N ATOM 162 CA GLY A 10 53.064 53.947 30.761 1.00 0.00 C ATOM 163 C GLY A 10 52.343 54.891 29.797 1.00 0.00 C ATOM 164 O GLY A 10 51.577 55.732 30.263 1.00 0.00 O ATOM 0 H GLY A 10 53.786 52.179 29.958 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.320 53.295 31.219 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.499 54.545 31.561 1.00 0.00 H new ATOM 168 N LYS A 11 52.545 54.780 28.487 1.00 0.00 N ATOM 169 CA LYS A 11 51.855 55.584 27.499 1.00 0.00 C ATOM 170 C LYS A 11 50.428 55.070 27.294 1.00 0.00 C ATOM 171 O LYS A 11 50.251 53.862 27.155 1.00 0.00 O ATOM 172 CB LYS A 11 52.645 55.591 26.194 1.00 0.00 C ATOM 173 CG LYS A 11 52.131 56.636 25.210 1.00 0.00 C ATOM 174 CD LYS A 11 52.868 56.577 23.875 1.00 0.00 C ATOM 175 CE LYS A 11 52.400 57.742 23.008 1.00 0.00 C ATOM 176 NZ LYS A 11 53.124 57.805 21.728 1.00 0.00 N ATOM 0 H LYS A 11 53.205 54.116 28.082 1.00 0.00 H new ATOM 0 HA LYS A 11 51.783 56.612 27.855 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.696 55.784 26.409 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.590 54.604 25.734 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.065 56.482 25.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.246 57.629 25.644 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.945 56.633 24.035 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.669 55.629 23.375 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.332 57.644 22.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.541 58.677 23.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.490 58.168 20.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.943 58.438 21.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.451 56.853 21.467 1.00 0.00 H new ATOM 190 N THR A 12 49.428 55.944 27.235 1.00 0.00 N ATOM 191 CA THR A 12 48.063 55.565 26.932 1.00 0.00 C ATOM 192 C THR A 12 47.767 55.753 25.442 1.00 0.00 C ATOM 193 O THR A 12 47.624 56.881 24.973 1.00 0.00 O ATOM 194 CB THR A 12 47.033 56.325 27.762 1.00 0.00 C ATOM 195 OG1 THR A 12 47.212 56.063 29.136 1.00 0.00 O ATOM 196 CG2 THR A 12 45.610 55.876 27.440 1.00 0.00 C ATOM 0 H THR A 12 49.550 56.943 27.399 1.00 0.00 H new ATOM 0 HA THR A 12 47.975 54.511 27.195 1.00 0.00 H new ATOM 0 HB THR A 12 47.173 57.380 27.525 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.544 56.560 29.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.904 56.439 28.050 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.402 56.056 26.385 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.507 54.812 27.654 1.00 0.00 H new ATOM 204 N ILE A 13 47.586 54.650 24.723 1.00 0.00 N ATOM 205 CA ILE A 13 47.051 54.617 23.377 1.00 0.00 C ATOM 206 C ILE A 13 45.524 54.606 23.474 1.00 0.00 C ATOM 207 O ILE A 13 44.961 53.755 24.160 1.00 0.00 O ATOM 208 CB ILE A 13 47.563 53.404 22.605 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.070 53.197 22.727 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.161 53.536 21.139 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.587 51.899 22.113 1.00 0.00 C ATOM 0 H ILE A 13 47.818 53.723 25.080 1.00 0.00 H new ATOM 0 HA ILE A 13 47.382 55.498 22.827 1.00 0.00 H new ATOM 0 HB ILE A 13 47.103 52.521 23.049 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.578 54.036 22.251 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.342 53.217 23.782 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.524 52.672 20.583 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.075 53.586 21.063 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.596 54.445 20.723 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.667 51.838 22.247 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.112 51.050 22.604 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.352 51.881 21.049 1.00 0.00 H new ATOM 223 N THR A 14 44.837 55.516 22.788 1.00 0.00 N ATOM 224 CA THR A 14 43.395 55.503 22.656 1.00 0.00 C ATOM 225 C THR A 14 43.004 54.849 21.330 1.00 0.00 C ATOM 226 O THR A 14 43.572 55.193 20.296 1.00 0.00 O ATOM 227 CB THR A 14 42.798 56.905 22.754 1.00 0.00 C ATOM 228 OG1 THR A 14 43.239 57.543 23.931 1.00 0.00 O ATOM 229 CG2 THR A 14 41.273 56.877 22.813 1.00 0.00 C ATOM 0 H THR A 14 45.282 56.295 22.302 1.00 0.00 H new ATOM 0 HA THR A 14 42.989 54.922 23.484 1.00 0.00 H new ATOM 0 HB THR A 14 43.124 57.439 21.861 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.724 57.211 24.696 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.893 57.896 22.882 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.883 56.404 21.912 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.953 56.310 23.687 1.00 0.00 H new ATOM 237 N LEU A 15 42.054 53.917 21.349 1.00 0.00 N ATOM 238 CA LEU A 15 41.556 53.221 20.180 1.00 0.00 C ATOM 239 C LEU A 15 40.038 53.356 20.061 1.00 0.00 C ATOM 240 O LEU A 15 39.332 53.372 21.068 1.00 0.00 O ATOM 241 CB LEU A 15 41.946 51.747 20.234 1.00 0.00 C ATOM 242 CG LEU A 15 43.413 51.407 20.477 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.558 49.890 20.559 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.336 51.886 19.360 1.00 0.00 C ATOM 0 H LEU A 15 41.598 53.620 22.212 1.00 0.00 H new ATOM 0 HA LEU A 15 42.009 53.678 19.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.358 51.274 21.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.647 51.287 19.292 1.00 0.00 H new ATOM 0 HG LEU A 15 43.702 51.911 21.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.603 49.633 20.733 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.950 49.510 21.380 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.225 49.442 19.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.364 51.612 19.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.042 51.419 18.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.261 52.969 19.266 1.00 0.00 H new ATOM 256 N GLU A 16 39.531 53.343 18.831 1.00 0.00 N ATOM 257 CA GLU A 16 38.135 53.077 18.549 1.00 0.00 C ATOM 258 C GLU A 16 37.990 51.694 17.911 1.00 0.00 C ATOM 259 O GLU A 16 38.678 51.361 16.949 1.00 0.00 O ATOM 260 CB GLU A 16 37.508 54.193 17.719 1.00 0.00 C ATOM 261 CG GLU A 16 36.008 53.965 17.560 1.00 0.00 C ATOM 262 CD GLU A 16 35.295 55.186 16.973 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.736 55.994 17.746 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.250 55.320 15.731 1.00 0.00 O ATOM 0 H GLU A 16 40.090 53.520 17.996 1.00 0.00 H new ATOM 0 HA GLU A 16 37.576 53.063 19.485 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.686 55.155 18.199 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.981 54.234 16.738 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.840 53.103 16.914 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.574 53.725 18.531 1.00 0.00 H new ATOM 271 N VAL A 17 37.115 50.869 18.480 1.00 0.00 N ATOM 272 CA VAL A 17 36.909 49.473 18.151 1.00 0.00 C ATOM 273 C VAL A 17 35.416 49.134 18.127 1.00 0.00 C ATOM 274 O VAL A 17 34.603 49.802 18.762 1.00 0.00 O ATOM 275 CB VAL A 17 37.610 48.557 19.149 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.126 48.726 19.135 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.123 48.744 20.583 1.00 0.00 C ATOM 0 H VAL A 17 36.496 51.183 19.228 1.00 0.00 H new ATOM 0 HA VAL A 17 37.336 49.311 17.161 1.00 0.00 H new ATOM 0 HB VAL A 17 37.351 47.552 18.816 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.574 48.051 19.864 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.509 48.493 18.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.380 49.755 19.390 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.662 48.063 21.242 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.304 49.772 20.897 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.055 48.531 20.635 1.00 0.00 H new ATOM 287 N GLU A 18 35.049 48.040 17.467 1.00 0.00 N ATOM 288 CA GLU A 18 33.794 47.359 17.712 1.00 0.00 C ATOM 289 C GLU A 18 33.992 46.239 18.735 1.00 0.00 C ATOM 290 O GLU A 18 35.058 45.630 18.747 1.00 0.00 O ATOM 291 CB GLU A 18 33.232 46.800 16.408 1.00 0.00 C ATOM 292 CG GLU A 18 33.068 47.825 15.291 1.00 0.00 C ATOM 293 CD GLU A 18 32.313 49.083 15.726 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.728 50.204 15.360 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.278 48.968 16.417 1.00 0.00 O ATOM 0 H GLU A 18 35.621 47.603 16.744 1.00 0.00 H new ATOM 0 HA GLU A 18 33.079 48.075 18.117 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.889 46.004 16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.262 46.347 16.612 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.053 48.111 14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.538 47.362 14.458 1.00 0.00 H new ATOM 302 N PRO A 19 33.000 45.870 19.542 1.00 0.00 N ATOM 303 CA PRO A 19 33.094 44.693 20.381 1.00 0.00 C ATOM 304 C PRO A 19 33.264 43.402 19.576 1.00 0.00 C ATOM 305 O PRO A 19 33.757 42.407 20.103 1.00 0.00 O ATOM 306 CB PRO A 19 31.824 44.694 21.226 1.00 0.00 C ATOM 307 CG PRO A 19 30.818 45.446 20.360 1.00 0.00 C ATOM 308 CD PRO A 19 31.694 46.485 19.666 1.00 0.00 C ATOM 0 HA PRO A 19 33.986 44.727 21.006 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.487 43.681 21.444 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.980 45.191 22.183 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.325 44.787 19.645 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.034 45.910 20.958 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.290 46.749 18.689 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.747 47.405 20.248 1.00 0.00 H new ATOM 316 N SER A 20 32.913 43.420 18.294 1.00 0.00 N ATOM 317 CA SER A 20 33.132 42.357 17.334 1.00 0.00 C ATOM 318 C SER A 20 34.546 42.294 16.751 1.00 0.00 C ATOM 319 O SER A 20 34.854 41.328 16.058 1.00 0.00 O ATOM 320 CB SER A 20 32.116 42.509 16.206 1.00 0.00 C ATOM 321 OG SER A 20 32.242 43.782 15.612 1.00 0.00 O ATOM 0 H SER A 20 32.442 44.224 17.880 1.00 0.00 H new ATOM 0 HA SER A 20 33.006 41.420 17.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.272 41.732 15.457 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.106 42.378 16.595 1.00 0.00 H new ATOM 0 HG SER A 20 31.588 43.871 14.888 1.00 0.00 H new ATOM 327 N ASP A 21 35.413 43.278 16.977 1.00 0.00 N ATOM 328 CA ASP A 21 36.775 43.239 16.483 1.00 0.00 C ATOM 329 C ASP A 21 37.608 42.179 17.207 1.00 0.00 C ATOM 330 O ASP A 21 37.471 41.965 18.408 1.00 0.00 O ATOM 331 CB ASP A 21 37.443 44.609 16.552 1.00 0.00 C ATOM 332 CG ASP A 21 36.975 45.589 15.474 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.734 45.156 14.327 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.929 46.810 15.739 1.00 0.00 O ATOM 0 H ASP A 21 35.186 44.120 17.507 1.00 0.00 H new ATOM 0 HA ASP A 21 36.723 42.955 15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.251 45.046 17.532 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.522 44.480 16.466 1.00 0.00 H new ATOM 339 N THR A 22 38.488 41.509 16.468 1.00 0.00 N ATOM 340 CA THR A 22 39.374 40.501 17.014 1.00 0.00 C ATOM 341 C THR A 22 40.561 41.111 17.762 1.00 0.00 C ATOM 342 O THR A 22 40.928 42.264 17.543 1.00 0.00 O ATOM 343 CB THR A 22 39.876 39.498 15.980 1.00 0.00 C ATOM 344 OG1 THR A 22 40.852 40.083 15.148 1.00 0.00 O ATOM 345 CG2 THR A 22 38.771 38.907 15.108 1.00 0.00 C ATOM 0 H THR A 22 38.602 41.656 15.465 1.00 0.00 H new ATOM 0 HA THR A 22 38.755 39.953 17.724 1.00 0.00 H new ATOM 0 HB THR A 22 40.306 38.680 16.557 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.436 40.773 14.590 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.205 38.203 14.398 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.049 38.388 15.738 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.269 39.708 14.565 1.00 0.00 H new ATOM 353 N ILE A 23 41.241 40.312 18.580 1.00 0.00 N ATOM 354 CA ILE A 23 42.496 40.701 19.188 1.00 0.00 C ATOM 355 C ILE A 23 43.562 41.030 18.141 1.00 0.00 C ATOM 356 O ILE A 23 44.347 41.954 18.345 1.00 0.00 O ATOM 357 CB ILE A 23 42.933 39.633 20.187 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.921 39.420 21.309 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.312 39.924 20.772 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.460 40.660 22.069 1.00 0.00 C ATOM 0 H ILE A 23 40.930 39.375 18.836 1.00 0.00 H new ATOM 0 HA ILE A 23 42.353 41.629 19.742 1.00 0.00 H new ATOM 0 HB ILE A 23 42.990 38.707 19.615 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.041 38.936 20.885 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.353 38.723 22.027 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.581 39.138 21.477 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.048 39.959 19.969 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.293 40.884 21.288 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.743 40.370 22.838 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.319 41.140 22.537 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.987 41.356 21.376 1.00 0.00 H new ATOM 372 N GLU A 24 43.551 40.392 16.974 1.00 0.00 N ATOM 373 CA GLU A 24 44.440 40.732 15.880 1.00 0.00 C ATOM 374 C GLU A 24 44.079 42.056 15.203 1.00 0.00 C ATOM 375 O GLU A 24 44.983 42.811 14.853 1.00 0.00 O ATOM 376 CB GLU A 24 44.505 39.590 14.871 1.00 0.00 C ATOM 377 CG GLU A 24 45.130 38.334 15.470 1.00 0.00 C ATOM 378 CD GLU A 24 45.267 37.219 14.432 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.255 36.562 14.107 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.389 36.968 13.940 1.00 0.00 O ATOM 0 H GLU A 24 42.918 39.620 16.765 1.00 0.00 H new ATOM 0 HA GLU A 24 45.431 40.877 16.310 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.500 39.361 14.517 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.085 39.905 14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.112 38.575 15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.518 37.984 16.301 1.00 0.00 H new ATOM 387 N ASN A 25 42.798 42.404 15.110 1.00 0.00 N ATOM 388 CA ASN A 25 42.365 43.721 14.687 1.00 0.00 C ATOM 389 C ASN A 25 42.815 44.799 15.676 1.00 0.00 C ATOM 390 O ASN A 25 43.244 45.871 15.258 1.00 0.00 O ATOM 391 CB ASN A 25 40.851 43.768 14.502 1.00 0.00 C ATOM 392 CG ASN A 25 40.341 42.988 13.288 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.877 41.854 13.394 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.325 43.599 12.107 1.00 0.00 N ATOM 0 H ASN A 25 42.030 41.770 15.329 1.00 0.00 H new ATOM 0 HA ASN A 25 42.835 43.925 13.725 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.375 43.373 15.399 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.540 44.808 14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.929 43.127 11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.709 44.540 12.014 1.00 0.00 H new ATOM 401 N VAL A 26 42.791 44.525 16.977 1.00 0.00 N ATOM 402 CA VAL A 26 43.306 45.426 17.988 1.00 0.00 C ATOM 403 C VAL A 26 44.821 45.603 17.862 1.00 0.00 C ATOM 404 O VAL A 26 45.289 46.739 17.870 1.00 0.00 O ATOM 405 CB VAL A 26 42.882 45.009 19.393 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.524 45.875 20.473 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.370 45.132 19.552 1.00 0.00 C ATOM 0 H VAL A 26 42.408 43.660 17.357 1.00 0.00 H new ATOM 0 HA VAL A 26 42.859 46.404 17.811 1.00 0.00 H new ATOM 0 HB VAL A 26 43.210 43.977 19.515 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.191 45.539 21.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.609 45.791 20.409 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.231 46.915 20.327 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.084 44.831 20.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.069 46.166 19.384 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.874 44.487 18.826 1.00 0.00 H new ATOM 417 N LYS A 27 45.578 44.534 17.629 1.00 0.00 N ATOM 418 CA LYS A 27 46.999 44.621 17.366 1.00 0.00 C ATOM 419 C LYS A 27 47.322 45.451 16.121 1.00 0.00 C ATOM 420 O LYS A 27 48.272 46.229 16.142 1.00 0.00 O ATOM 421 CB LYS A 27 47.625 43.233 17.275 1.00 0.00 C ATOM 422 CG LYS A 27 47.705 42.510 18.616 1.00 0.00 C ATOM 423 CD LYS A 27 48.253 41.094 18.470 1.00 0.00 C ATOM 424 CE LYS A 27 48.364 40.423 19.836 1.00 0.00 C ATOM 425 NZ LYS A 27 48.780 39.016 19.729 1.00 0.00 N ATOM 0 H LYS A 27 45.214 43.581 17.619 1.00 0.00 H new ATOM 0 HA LYS A 27 47.440 45.145 18.213 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.045 42.627 16.579 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.629 43.323 16.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.341 43.077 19.296 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.713 42.470 19.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.599 40.509 17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.232 41.124 17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.082 40.967 20.450 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.402 40.479 20.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.585 38.527 20.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.251 38.555 18.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.799 38.970 19.524 1.00 0.00 H new ATOM 439 N ALA A 28 46.502 45.368 15.077 1.00 0.00 N ATOM 440 CA ALA A 28 46.643 46.194 13.894 1.00 0.00 C ATOM 441 C ALA A 28 46.322 47.668 14.153 1.00 0.00 C ATOM 442 O ALA A 28 47.004 48.544 13.626 1.00 0.00 O ATOM 443 CB ALA A 28 45.779 45.619 12.776 1.00 0.00 C ATOM 0 H ALA A 28 45.717 44.719 15.033 1.00 0.00 H new ATOM 0 HA ALA A 28 47.690 46.174 13.591 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.881 46.236 11.883 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.102 44.602 12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.736 45.607 13.092 1.00 0.00 H new ATOM 449 N LYS A 29 45.343 47.981 14.997 1.00 0.00 N ATOM 450 CA LYS A 29 45.033 49.339 15.392 1.00 0.00 C ATOM 451 C LYS A 29 46.141 49.975 16.233 1.00 0.00 C ATOM 452 O LYS A 29 46.402 51.168 16.094 1.00 0.00 O ATOM 453 CB LYS A 29 43.690 49.362 16.116 1.00 0.00 C ATOM 454 CG LYS A 29 42.505 49.147 15.180 1.00 0.00 C ATOM 455 CD LYS A 29 41.230 48.902 15.982 1.00 0.00 C ATOM 456 CE LYS A 29 40.006 48.721 15.089 1.00 0.00 C ATOM 457 NZ LYS A 29 39.466 50.014 14.641 1.00 0.00 N ATOM 0 H LYS A 29 44.737 47.283 15.429 1.00 0.00 H new ATOM 0 HA LYS A 29 44.963 49.947 14.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.684 48.589 16.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.575 50.319 16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.377 50.019 14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.700 48.297 14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.359 48.014 16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.062 49.741 16.658 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.274 48.118 14.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.236 48.173 15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.667 49.852 13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.141 50.559 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.208 50.547 14.145 1.00 0.00 H new ATOM 471 N ILE A 30 46.850 49.186 17.036 1.00 0.00 N ATOM 472 CA ILE A 30 48.052 49.580 17.743 1.00 0.00 C ATOM 473 C ILE A 30 49.217 49.812 16.778 1.00 0.00 C ATOM 474 O ILE A 30 49.953 50.783 16.938 1.00 0.00 O ATOM 475 CB ILE A 30 48.370 48.556 18.829 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.304 48.574 19.919 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.746 48.779 19.452 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.262 47.312 20.776 1.00 0.00 C ATOM 0 H ILE A 30 46.587 48.217 17.215 1.00 0.00 H new ATOM 0 HA ILE A 30 47.882 50.538 18.235 1.00 0.00 H new ATOM 0 HB ILE A 30 48.377 47.580 18.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.477 49.433 20.567 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.328 48.717 19.455 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.925 48.025 20.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.512 48.701 18.680 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.785 49.771 19.902 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.477 47.407 21.526 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.056 46.449 20.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.223 47.177 21.272 1.00 0.00 H new ATOM 490 N GLN A 31 49.363 48.988 15.744 1.00 0.00 N ATOM 491 CA GLN A 31 50.338 49.190 14.692 1.00 0.00 C ATOM 492 C GLN A 31 50.115 50.498 13.930 1.00 0.00 C ATOM 493 O GLN A 31 51.079 51.172 13.577 1.00 0.00 O ATOM 494 CB GLN A 31 50.329 47.987 13.754 1.00 0.00 C ATOM 495 CG GLN A 31 51.496 47.994 12.770 1.00 0.00 C ATOM 496 CD GLN A 31 51.480 46.805 11.808 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.454 46.197 11.509 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.640 46.432 11.273 1.00 0.00 N ATOM 0 H GLN A 31 48.795 48.150 15.617 1.00 0.00 H new ATOM 0 HA GLN A 31 51.322 49.277 15.153 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.363 47.072 14.345 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.391 47.973 13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.472 48.919 12.194 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.433 47.990 13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.497 46.930 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.672 45.648 10.621 1.00 0.00 H new ATOM 507 N ASP A 32 48.867 50.907 13.717 1.00 0.00 N ATOM 508 CA ASP A 32 48.559 52.200 13.139 1.00 0.00 C ATOM 509 C ASP A 32 48.977 53.360 14.046 1.00 0.00 C ATOM 510 O ASP A 32 49.647 54.282 13.586 1.00 0.00 O ATOM 511 CB ASP A 32 47.071 52.280 12.811 1.00 0.00 C ATOM 512 CG ASP A 32 46.724 53.626 12.172 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.101 54.484 12.833 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.055 53.828 10.983 1.00 0.00 O ATOM 0 H ASP A 32 48.045 50.347 13.942 1.00 0.00 H new ATOM 0 HA ASP A 32 49.138 52.297 12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.800 51.471 12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.486 52.143 13.721 1.00 0.00 H new ATOM 519 N LYS A 33 48.602 53.314 15.321 1.00 0.00 N ATOM 520 CA LYS A 33 48.873 54.382 16.261 1.00 0.00 C ATOM 521 C LYS A 33 50.356 54.552 16.594 1.00 0.00 C ATOM 522 O LYS A 33 50.833 55.685 16.608 1.00 0.00 O ATOM 523 CB LYS A 33 48.035 54.213 17.525 1.00 0.00 C ATOM 524 CG LYS A 33 46.728 55.002 17.504 1.00 0.00 C ATOM 525 CD LYS A 33 46.966 56.498 17.690 1.00 0.00 C ATOM 526 CE LYS A 33 45.674 57.309 17.657 1.00 0.00 C ATOM 527 NZ LYS A 33 44.907 57.177 18.905 1.00 0.00 N ATOM 0 H LYS A 33 48.098 52.526 15.728 1.00 0.00 H new ATOM 0 HA LYS A 33 48.580 55.306 15.763 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.809 53.156 17.662 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.625 54.527 18.386 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.215 54.830 16.558 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.071 54.638 18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.471 56.666 18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.634 56.855 16.907 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.910 58.359 17.486 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.061 56.979 16.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.072 57.796 18.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.601 56.190 19.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.505 57.452 19.711 1.00 0.00 H new ATOM 541 N GLU A 34 51.082 53.470 16.864 1.00 0.00 N ATOM 542 CA GLU A 34 52.431 53.516 17.391 1.00 0.00 C ATOM 543 C GLU A 34 53.475 52.765 16.562 1.00 0.00 C ATOM 544 O GLU A 34 54.654 52.789 16.906 1.00 0.00 O ATOM 545 CB GLU A 34 52.432 53.036 18.839 1.00 0.00 C ATOM 546 CG GLU A 34 51.622 53.884 19.815 1.00 0.00 C ATOM 547 CD GLU A 34 52.143 55.312 19.987 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.363 55.502 20.187 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.341 56.270 20.036 1.00 0.00 O ATOM 0 H GLU A 34 50.737 52.521 16.718 1.00 0.00 H new ATOM 0 HA GLU A 34 52.740 54.560 17.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.047 52.017 18.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.463 52.997 19.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.588 53.925 19.472 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.615 53.392 20.788 1.00 0.00 H new ATOM 556 N GLY A 35 53.111 52.111 15.462 1.00 0.00 N ATOM 557 CA GLY A 35 54.055 51.490 14.553 1.00 0.00 C ATOM 558 C GLY A 35 54.576 50.113 14.968 1.00 0.00 C ATOM 559 O GLY A 35 55.451 49.570 14.298 1.00 0.00 O ATOM 0 H GLY A 35 52.138 51.999 15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.582 51.398 13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.908 52.158 14.433 1.00 0.00 H new ATOM 563 N ILE A 36 54.049 49.537 16.045 1.00 0.00 N ATOM 564 CA ILE A 36 54.530 48.317 16.663 1.00 0.00 C ATOM 565 C ILE A 36 54.009 47.097 15.900 1.00 0.00 C ATOM 566 O ILE A 36 52.794 46.918 15.857 1.00 0.00 O ATOM 567 CB ILE A 36 54.114 48.266 18.130 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.576 49.490 18.917 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.658 46.997 18.780 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.947 49.633 20.299 1.00 0.00 C ATOM 0 H ILE A 36 53.240 49.929 16.527 1.00 0.00 H new ATOM 0 HA ILE A 36 55.619 48.304 16.621 1.00 0.00 H new ATOM 0 HB ILE A 36 53.024 48.262 18.154 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.659 49.446 19.029 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.352 50.385 18.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.357 46.967 19.827 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.260 46.124 18.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.746 46.992 18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.334 50.529 20.784 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.864 49.713 20.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.193 48.759 20.903 1.00 0.00 H new ATOM 582 N PRO A 37 54.851 46.229 15.346 1.00 0.00 N ATOM 583 CA PRO A 37 54.410 45.036 14.651 1.00 0.00 C ATOM 584 C PRO A 37 53.600 44.092 15.543 1.00 0.00 C ATOM 585 O PRO A 37 54.033 43.822 16.662 1.00 0.00 O ATOM 586 CB PRO A 37 55.669 44.342 14.141 1.00 0.00 C ATOM 587 CG PRO A 37 56.675 45.485 14.029 1.00 0.00 C ATOM 588 CD PRO A 37 56.287 46.367 15.212 1.00 0.00 C ATOM 0 HA PRO A 37 53.739 45.314 13.838 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.011 43.570 14.831 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.501 43.858 13.179 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.704 45.132 14.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.588 46.014 13.080 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.798 46.050 16.121 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.566 47.406 15.035 1.00 0.00 H new ATOM 596 N PRO A 38 52.473 43.547 15.096 1.00 0.00 N ATOM 597 CA PRO A 38 51.651 42.638 15.869 1.00 0.00 C ATOM 598 C PRO A 38 52.379 41.457 16.515 1.00 0.00 C ATOM 599 O PRO A 38 52.064 41.123 17.655 1.00 0.00 O ATOM 600 CB PRO A 38 50.574 42.146 14.905 1.00 0.00 C ATOM 601 CG PRO A 38 50.349 43.376 14.029 1.00 0.00 C ATOM 602 CD PRO A 38 51.760 43.943 13.899 1.00 0.00 C ATOM 0 HA PRO A 38 51.259 43.179 16.730 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.908 41.286 14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.666 41.845 15.427 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.925 43.113 13.060 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.666 44.087 14.494 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.253 43.556 13.007 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.735 45.029 13.803 1.00 0.00 H new ATOM 610 N ASP A 39 53.381 40.863 15.874 1.00 0.00 N ATOM 611 CA ASP A 39 54.134 39.748 16.411 1.00 0.00 C ATOM 612 C ASP A 39 54.936 40.075 17.672 1.00 0.00 C ATOM 613 O ASP A 39 55.274 39.175 18.438 1.00 0.00 O ATOM 614 CB ASP A 39 54.990 39.086 15.334 1.00 0.00 C ATOM 615 CG ASP A 39 56.268 39.848 14.977 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.190 40.900 14.306 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.374 39.363 15.298 1.00 0.00 O ATOM 0 H ASP A 39 53.694 41.154 14.948 1.00 0.00 H new ATOM 0 HA ASP A 39 53.390 39.024 16.743 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.261 38.085 15.669 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.389 38.969 14.432 1.00 0.00 H new ATOM 622 N GLN A 40 55.171 41.353 17.956 1.00 0.00 N ATOM 623 CA GLN A 40 55.800 41.803 19.180 1.00 0.00 C ATOM 624 C GLN A 40 54.821 42.002 20.339 1.00 0.00 C ATOM 625 O GLN A 40 55.247 42.061 21.490 1.00 0.00 O ATOM 626 CB GLN A 40 56.561 43.104 18.936 1.00 0.00 C ATOM 627 CG GLN A 40 57.686 42.948 17.916 1.00 0.00 C ATOM 628 CD GLN A 40 58.411 44.263 17.625 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.428 45.208 18.410 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.034 44.377 16.455 1.00 0.00 N ATOM 0 H GLN A 40 54.922 42.115 17.325 1.00 0.00 H new ATOM 0 HA GLN A 40 56.483 41.006 19.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.865 43.867 18.589 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.978 43.458 19.879 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.405 42.216 18.284 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.275 42.552 16.987 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.027 43.599 15.795 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.519 45.242 16.218 1.00 0.00 H new ATOM 639 N GLN A 41 53.526 42.140 20.071 1.00 0.00 N ATOM 640 CA GLN A 41 52.543 42.605 21.029 1.00 0.00 C ATOM 641 C GLN A 41 51.948 41.468 21.862 1.00 0.00 C ATOM 642 O GLN A 41 51.470 40.484 21.301 1.00 0.00 O ATOM 643 CB GLN A 41 51.426 43.353 20.308 1.00 0.00 C ATOM 644 CG GLN A 41 51.862 44.569 19.496 1.00 0.00 C ATOM 645 CD GLN A 41 50.669 45.270 18.841 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.572 45.314 19.393 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.791 45.828 17.641 1.00 0.00 N ATOM 0 H GLN A 41 53.127 41.925 19.157 1.00 0.00 H new ATOM 0 HA GLN A 41 53.060 43.274 21.717 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.919 42.656 19.641 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.694 43.676 21.048 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.385 45.271 20.145 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.569 44.258 18.727 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.689 45.807 17.158 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.987 46.277 17.203 1.00 0.00 H new ATOM 656 N ARG A 42 51.914 41.612 23.184 1.00 0.00 N ATOM 657 CA ARG A 42 51.188 40.760 24.104 1.00 0.00 C ATOM 658 C ARG A 42 50.146 41.587 24.859 1.00 0.00 C ATOM 659 O ARG A 42 50.505 42.606 25.445 1.00 0.00 O ATOM 660 CB ARG A 42 52.133 40.064 25.079 1.00 0.00 C ATOM 661 CG ARG A 42 53.353 39.384 24.463 1.00 0.00 C ATOM 662 CD ARG A 42 52.993 38.213 23.553 1.00 0.00 C ATOM 663 NE ARG A 42 54.178 37.749 22.830 1.00 0.00 N ATOM 664 CZ ARG A 42 54.540 38.094 21.587 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.760 38.813 20.768 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.733 37.741 21.090 1.00 0.00 N ATOM 0 H ARG A 42 52.417 42.362 23.659 1.00 0.00 H new ATOM 0 HA ARG A 42 50.681 39.984 23.530 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.480 40.800 25.804 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.565 39.315 25.631 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.921 40.119 23.892 1.00 0.00 H new ATOM 0 HG3 ARG A 42 54.005 39.028 25.261 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.577 37.398 24.145 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.222 38.517 22.845 1.00 0.00 H new ATOM 0 HE ARG A 42 54.790 37.098 23.322 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.841 39.125 21.082 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.085 39.048 19.830 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.383 37.200 21.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.991 38.013 20.141 1.00 0.00 H new ATOM 680 N LEU A 43 48.881 41.177 24.837 1.00 0.00 N ATOM 681 CA LEU A 43 47.756 41.992 25.248 1.00 0.00 C ATOM 682 C LEU A 43 46.965 41.355 26.391 1.00 0.00 C ATOM 683 O LEU A 43 46.593 40.184 26.333 1.00 0.00 O ATOM 684 CB LEU A 43 46.895 42.283 24.022 1.00 0.00 C ATOM 685 CG LEU A 43 45.822 43.348 24.228 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.410 44.753 24.326 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.847 43.338 23.055 1.00 0.00 C ATOM 0 H LEU A 43 48.610 40.245 24.524 1.00 0.00 H new ATOM 0 HA LEU A 43 48.121 42.935 25.654 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.545 42.597 23.206 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.412 41.358 23.707 1.00 0.00 H new ATOM 0 HG LEU A 43 45.321 43.107 25.165 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.606 45.474 24.472 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.099 44.801 25.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.946 44.988 23.406 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.084 44.101 23.210 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.387 43.546 22.131 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.372 42.359 22.985 1.00 0.00 H new ATOM 699 N ILE A 44 46.695 42.149 27.422 1.00 0.00 N ATOM 700 CA ILE A 44 46.088 41.739 28.673 1.00 0.00 C ATOM 701 C ILE A 44 44.871 42.607 28.999 1.00 0.00 C ATOM 702 O ILE A 44 44.908 43.825 28.836 1.00 0.00 O ATOM 703 CB ILE A 44 47.139 41.748 29.778 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.168 40.640 29.569 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.526 41.630 31.171 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.414 40.734 30.445 1.00 0.00 C ATOM 0 H ILE A 44 46.907 43.147 27.401 1.00 0.00 H new ATOM 0 HA ILE A 44 45.716 40.718 28.584 1.00 0.00 H new ATOM 0 HB ILE A 44 47.637 42.716 29.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.686 39.680 29.753 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.477 40.646 28.524 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.318 41.641 31.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.851 42.469 31.344 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.970 40.696 31.246 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.081 39.902 30.220 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.928 41.675 30.247 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.124 40.693 31.495 1.00 0.00 H new ATOM 718 N PHE A 45 43.814 41.998 29.529 1.00 0.00 N ATOM 719 CA PHE A 45 42.731 42.682 30.206 1.00 0.00 C ATOM 720 C PHE A 45 42.434 42.033 31.559 1.00 0.00 C ATOM 721 O PHE A 45 42.342 40.811 31.643 1.00 0.00 O ATOM 722 CB PHE A 45 41.474 42.702 29.339 1.00 0.00 C ATOM 723 CG PHE A 45 40.347 43.474 29.982 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.458 44.858 30.156 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.230 42.799 30.491 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.466 45.571 30.841 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.227 43.511 31.160 1.00 0.00 C ATOM 728 CZ PHE A 45 38.344 44.895 31.338 1.00 0.00 C ATOM 0 H PHE A 45 43.690 40.986 29.495 1.00 0.00 H new ATOM 0 HA PHE A 45 43.045 43.711 30.381 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.710 43.145 28.372 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.149 41.679 29.150 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.316 45.381 29.759 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.143 41.730 30.367 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.565 46.637 30.985 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.360 42.991 31.540 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.570 45.441 31.858 1.00 0.00 H new ATOM 738 N ALA A 46 42.284 42.830 32.614 1.00 0.00 N ATOM 739 CA ALA A 46 42.044 42.391 33.974 1.00 0.00 C ATOM 740 C ALA A 46 42.957 41.252 34.430 1.00 0.00 C ATOM 741 O ALA A 46 42.514 40.324 35.106 1.00 0.00 O ATOM 742 CB ALA A 46 40.552 42.122 34.149 1.00 0.00 C ATOM 0 H ALA A 46 42.330 43.846 32.533 1.00 0.00 H new ATOM 0 HA ALA A 46 42.323 43.194 34.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.359 41.791 35.169 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.992 43.036 33.952 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.238 41.347 33.450 1.00 0.00 H new ATOM 748 N GLY A 47 44.226 41.277 34.035 1.00 0.00 N ATOM 749 CA GLY A 47 45.204 40.243 34.305 1.00 0.00 C ATOM 750 C GLY A 47 45.175 38.998 33.417 1.00 0.00 C ATOM 751 O GLY A 47 46.090 38.185 33.523 1.00 0.00 O ATOM 0 H GLY A 47 44.611 42.053 33.496 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.196 40.689 34.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.078 39.922 35.339 1.00 0.00 H new ATOM 755 N LYS A 48 44.198 38.826 32.530 1.00 0.00 N ATOM 756 CA LYS A 48 44.083 37.728 31.593 1.00 0.00 C ATOM 757 C LYS A 48 44.780 38.066 30.274 1.00 0.00 C ATOM 758 O LYS A 48 44.455 39.088 29.675 1.00 0.00 O ATOM 759 CB LYS A 48 42.612 37.426 31.319 1.00 0.00 C ATOM 760 CG LYS A 48 41.814 36.927 32.521 1.00 0.00 C ATOM 761 CD LYS A 48 40.316 36.931 32.234 1.00 0.00 C ATOM 762 CE LYS A 48 39.491 36.348 33.380 1.00 0.00 C ATOM 763 NZ LYS A 48 38.057 36.616 33.192 1.00 0.00 N ATOM 0 H LYS A 48 43.427 39.489 32.447 1.00 0.00 H new ATOM 0 HA LYS A 48 44.562 36.854 32.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.137 38.330 30.938 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.553 36.678 30.528 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.134 35.917 32.779 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.022 37.558 33.385 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.990 37.953 32.042 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.123 36.359 31.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.658 35.273 33.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.823 36.777 34.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.521 36.209 33.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.897 37.643 33.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.737 36.186 32.301 1.00 0.00 H new ATOM 777 N GLN A 49 45.681 37.219 29.784 1.00 0.00 N ATOM 778 CA GLN A 49 46.263 37.347 28.464 1.00 0.00 C ATOM 779 C GLN A 49 45.286 36.872 27.388 1.00 0.00 C ATOM 780 O GLN A 49 44.779 35.755 27.466 1.00 0.00 O ATOM 781 CB GLN A 49 47.592 36.599 28.384 1.00 0.00 C ATOM 782 CG GLN A 49 48.332 36.863 27.076 1.00 0.00 C ATOM 783 CD GLN A 49 49.547 35.948 26.903 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.511 35.995 27.662 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.544 35.048 25.923 1.00 0.00 N ATOM 0 H GLN A 49 46.028 36.414 30.306 1.00 0.00 H new ATOM 0 HA GLN A 49 46.465 38.402 28.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.223 36.896 29.221 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.410 35.529 28.485 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.649 36.719 26.239 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.656 37.903 27.048 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.752 34.994 25.283 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.334 34.412 25.812 1.00 0.00 H new ATOM 794 N LEU A 50 45.021 37.706 26.386 1.00 0.00 N ATOM 795 CA LEU A 50 43.947 37.513 25.434 1.00 0.00 C ATOM 796 C LEU A 50 44.406 36.702 24.219 1.00 0.00 C ATOM 797 O LEU A 50 45.493 36.925 23.690 1.00 0.00 O ATOM 798 CB LEU A 50 43.346 38.860 25.045 1.00 0.00 C ATOM 799 CG LEU A 50 42.988 39.787 26.205 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.306 41.050 25.684 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.061 39.139 27.229 1.00 0.00 C ATOM 0 H LEU A 50 45.564 38.553 26.215 1.00 0.00 H new ATOM 0 HA LEU A 50 43.162 36.923 25.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.052 39.378 24.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.446 38.679 24.458 1.00 0.00 H new ATOM 0 HG LEU A 50 43.931 40.022 26.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.057 41.701 26.522 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.979 41.574 25.006 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.394 40.778 25.152 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.846 39.850 28.026 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.130 38.846 26.743 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.544 38.257 27.650 1.00 0.00 H new ATOM 813 N GLU A 51 43.595 35.743 23.782 1.00 0.00 N ATOM 814 CA GLU A 51 43.856 34.864 22.661 1.00 0.00 C ATOM 815 C GLU A 51 43.555 35.531 21.318 1.00 0.00 C ATOM 816 O GLU A 51 42.572 36.254 21.170 1.00 0.00 O ATOM 817 CB GLU A 51 43.039 33.581 22.792 1.00 0.00 C ATOM 818 CG GLU A 51 43.420 32.669 23.954 1.00 0.00 C ATOM 819 CD GLU A 51 42.371 31.570 24.136 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.486 31.703 25.008 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.392 30.558 23.404 1.00 0.00 O ATOM 0 H GLU A 51 42.696 35.554 24.226 1.00 0.00 H new ATOM 0 HA GLU A 51 44.920 34.628 22.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.988 33.851 22.895 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.133 33.016 21.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.396 32.221 23.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.506 33.253 24.870 1.00 0.00 H new ATOM 828 N ASP A 52 44.369 35.240 20.306 1.00 0.00 N ATOM 829 CA ASP A 52 44.318 35.903 19.019 1.00 0.00 C ATOM 830 C ASP A 52 43.097 35.546 18.169 1.00 0.00 C ATOM 831 O ASP A 52 42.581 36.403 17.455 1.00 0.00 O ATOM 832 CB ASP A 52 45.611 35.641 18.253 1.00 0.00 C ATOM 833 CG ASP A 52 46.765 36.489 18.795 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.199 37.440 18.109 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.253 36.220 19.914 1.00 0.00 O ATOM 0 H ASP A 52 45.093 34.524 20.365 1.00 0.00 H new ATOM 0 HA ASP A 52 44.213 36.968 19.228 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.870 34.585 18.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.460 35.862 17.196 1.00 0.00 H new ATOM 840 N GLY A 53 42.578 34.325 18.264 1.00 0.00 N ATOM 841 CA GLY A 53 41.434 33.862 17.506 1.00 0.00 C ATOM 842 C GLY A 53 40.067 34.319 18.021 1.00 0.00 C ATOM 843 O GLY A 53 39.084 33.647 17.718 1.00 0.00 O ATOM 0 H GLY A 53 42.957 33.615 18.890 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.544 34.198 16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.450 32.772 17.489 1.00 0.00 H new ATOM 847 N ARG A 54 39.995 35.362 18.843 1.00 0.00 N ATOM 848 CA ARG A 54 38.835 35.750 19.618 1.00 0.00 C ATOM 849 C ARG A 54 38.553 37.252 19.532 1.00 0.00 C ATOM 850 O ARG A 54 39.423 38.022 19.132 1.00 0.00 O ATOM 851 CB ARG A 54 39.009 35.304 21.067 1.00 0.00 C ATOM 852 CG ARG A 54 39.395 33.835 21.220 1.00 0.00 C ATOM 853 CD ARG A 54 39.405 33.379 22.675 1.00 0.00 C ATOM 854 NE ARG A 54 38.072 33.060 23.186 1.00 0.00 N ATOM 855 CZ ARG A 54 37.804 32.555 24.398 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.756 32.240 25.287 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.537 32.322 24.771 1.00 0.00 N ATOM 0 H ARG A 54 40.788 35.987 18.989 1.00 0.00 H new ATOM 0 HA ARG A 54 37.966 35.249 19.192 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.774 35.921 21.537 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.079 35.483 21.606 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.696 33.219 20.655 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.382 33.676 20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.044 32.501 22.770 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.846 34.162 23.292 1.00 0.00 H new ATOM 0 HE ARG A 54 37.280 33.237 22.568 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.739 32.382 25.054 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.498 31.858 26.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.771 32.529 24.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.340 31.937 25.695 1.00 0.00 H new ATOM 871 N THR A 55 37.351 37.679 19.910 1.00 0.00 N ATOM 872 CA THR A 55 36.920 39.063 19.929 1.00 0.00 C ATOM 873 C THR A 55 36.935 39.704 21.317 1.00 0.00 C ATOM 874 O THR A 55 37.013 39.026 22.339 1.00 0.00 O ATOM 875 CB THR A 55 35.542 39.264 19.307 1.00 0.00 C ATOM 876 OG1 THR A 55 34.558 38.656 20.115 1.00 0.00 O ATOM 877 CG2 THR A 55 35.418 38.713 17.889 1.00 0.00 C ATOM 0 H THR A 55 36.623 37.037 20.224 1.00 0.00 H new ATOM 0 HA THR A 55 37.668 39.569 19.318 1.00 0.00 H new ATOM 0 HB THR A 55 35.396 40.343 19.247 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.526 37.695 19.924 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.410 38.894 17.515 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.140 39.210 17.241 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.615 37.641 17.897 1.00 0.00 H new ATOM 885 N LEU A 56 36.797 41.026 21.367 1.00 0.00 N ATOM 886 CA LEU A 56 36.542 41.749 22.597 1.00 0.00 C ATOM 887 C LEU A 56 35.247 41.306 23.280 1.00 0.00 C ATOM 888 O LEU A 56 35.202 41.215 24.506 1.00 0.00 O ATOM 889 CB LEU A 56 36.531 43.246 22.304 1.00 0.00 C ATOM 890 CG LEU A 56 37.853 43.822 21.804 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.658 45.294 21.451 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.965 43.743 22.847 1.00 0.00 C ATOM 0 H LEU A 56 36.861 41.626 20.544 1.00 0.00 H new ATOM 0 HA LEU A 56 37.344 41.521 23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.761 43.448 21.560 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.243 43.775 23.212 1.00 0.00 H new ATOM 0 HG LEU A 56 38.148 43.228 20.939 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.600 45.710 21.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.902 45.384 20.671 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.333 45.840 22.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.881 44.167 22.435 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.672 44.304 23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.137 42.701 23.117 1.00 0.00 H new ATOM 904 N SER A 57 34.216 40.959 22.514 1.00 0.00 N ATOM 905 CA SER A 57 32.979 40.381 22.999 1.00 0.00 C ATOM 906 C SER A 57 33.172 38.992 23.612 1.00 0.00 C ATOM 907 O SER A 57 32.607 38.714 24.667 1.00 0.00 O ATOM 908 CB SER A 57 31.961 40.327 21.865 1.00 0.00 C ATOM 909 OG SER A 57 30.683 39.983 22.351 1.00 0.00 O ATOM 0 H SER A 57 34.226 41.080 21.501 1.00 0.00 H new ATOM 0 HA SER A 57 32.611 41.023 23.799 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.916 41.295 21.365 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.279 39.598 21.120 1.00 0.00 H new ATOM 0 HG SER A 57 30.046 39.956 21.607 1.00 0.00 H new ATOM 915 N ASP A 58 34.018 38.139 23.041 1.00 0.00 N ATOM 916 CA ASP A 58 34.385 36.860 23.613 1.00 0.00 C ATOM 917 C ASP A 58 35.069 36.971 24.977 1.00 0.00 C ATOM 918 O ASP A 58 34.968 36.061 25.796 1.00 0.00 O ATOM 919 CB ASP A 58 35.273 36.080 22.648 1.00 0.00 C ATOM 920 CG ASP A 58 34.521 35.606 21.403 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.584 34.795 21.561 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.861 36.047 20.283 1.00 0.00 O ATOM 0 H ASP A 58 34.474 38.328 22.148 1.00 0.00 H new ATOM 0 HA ASP A 58 33.450 36.324 23.777 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.111 36.708 22.344 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.692 35.217 23.164 1.00 0.00 H new ATOM 927 N TYR A 59 35.702 38.109 25.247 1.00 0.00 N ATOM 928 CA TYR A 59 36.256 38.479 26.534 1.00 0.00 C ATOM 929 C TYR A 59 35.375 39.397 27.383 1.00 0.00 C ATOM 930 O TYR A 59 35.808 39.809 28.458 1.00 0.00 O ATOM 931 CB TYR A 59 37.673 39.014 26.345 1.00 0.00 C ATOM 932 CG TYR A 59 38.669 37.910 26.078 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.989 37.027 27.116 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.249 37.758 24.813 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.893 35.981 26.900 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.172 36.729 24.587 1.00 0.00 C ATOM 937 CZ TYR A 59 40.486 35.836 25.630 1.00 0.00 C ATOM 938 OH TYR A 59 41.378 34.829 25.409 1.00 0.00 O ATOM 0 H TYR A 59 35.846 38.828 24.538 1.00 0.00 H new ATOM 0 HA TYR A 59 36.295 37.569 27.132 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.685 39.720 25.515 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.974 39.564 27.236 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.536 37.154 28.088 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.985 38.433 24.012 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.133 35.293 27.697 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.640 36.621 23.620 1.00 0.00 H new ATOM 0 HH TYR A 59 40.902 33.973 25.371 1.00 0.00 H new ATOM 948 N ASN A 60 34.139 39.683 26.982 1.00 0.00 N ATOM 949 CA ASN A 60 33.200 40.485 27.739 1.00 0.00 C ATOM 950 C ASN A 60 33.727 41.883 28.069 1.00 0.00 C ATOM 951 O ASN A 60 33.458 42.430 29.137 1.00 0.00 O ATOM 952 CB ASN A 60 32.720 39.655 28.927 1.00 0.00 C ATOM 953 CG ASN A 60 31.359 40.036 29.512 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.793 41.104 29.290 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.770 39.132 30.288 1.00 0.00 N ATOM 0 H ASN A 60 33.759 39.351 26.096 1.00 0.00 H new ATOM 0 HA ASN A 60 32.326 40.722 27.132 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.681 38.610 28.621 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.466 39.727 29.719 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.855 39.327 30.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.233 38.243 30.477 1.00 0.00 H new ATOM 962 N ILE A 61 34.515 42.469 27.172 1.00 0.00 N ATOM 963 CA ILE A 61 35.128 43.772 27.337 1.00 0.00 C ATOM 964 C ILE A 61 34.127 44.850 26.918 1.00 0.00 C ATOM 965 O ILE A 61 33.569 44.801 25.824 1.00 0.00 O ATOM 966 CB ILE A 61 36.452 43.845 26.582 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.463 42.875 27.186 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.023 45.260 26.597 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.738 42.672 26.373 1.00 0.00 C ATOM 0 H ILE A 61 34.749 42.030 26.282 1.00 0.00 H new ATOM 0 HA ILE A 61 35.377 43.946 28.384 1.00 0.00 H new ATOM 0 HB ILE A 61 36.258 43.565 25.547 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.738 43.233 28.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.979 41.908 27.319 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.966 45.278 26.051 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.317 45.942 26.124 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.195 45.572 27.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.389 41.966 26.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.483 42.279 25.389 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.254 43.626 26.261 1.00 0.00 H new ATOM 981 N GLN A 62 33.898 45.824 27.796 1.00 0.00 N ATOM 982 CA GLN A 62 32.955 46.906 27.607 1.00 0.00 C ATOM 983 C GLN A 62 33.632 48.215 27.200 1.00 0.00 C ATOM 984 O GLN A 62 34.852 48.343 27.266 1.00 0.00 O ATOM 985 CB GLN A 62 32.123 47.061 28.878 1.00 0.00 C ATOM 986 CG GLN A 62 31.363 45.821 29.340 1.00 0.00 C ATOM 987 CD GLN A 62 30.266 45.334 28.392 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.064 45.832 27.286 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.487 44.332 28.790 1.00 0.00 N ATOM 0 H GLN A 62 34.386 45.876 28.690 1.00 0.00 H new ATOM 0 HA GLN A 62 32.298 46.655 26.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.785 47.378 29.684 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.404 47.865 28.721 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.078 45.011 29.488 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.914 46.031 30.311 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.635 43.903 29.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.742 43.993 28.182 1.00 0.00 H new ATOM 998 N LYS A 63 32.846 49.213 26.802 1.00 0.00 N ATOM 999 CA LYS A 63 33.309 50.537 26.444 1.00 0.00 C ATOM 1000 C LYS A 63 34.107 51.219 27.558 1.00 0.00 C ATOM 1001 O LYS A 63 33.817 51.040 28.739 1.00 0.00 O ATOM 1002 CB LYS A 63 32.128 51.392 25.993 1.00 0.00 C ATOM 1003 CG LYS A 63 31.198 51.821 27.124 1.00 0.00 C ATOM 1004 CD LYS A 63 29.915 52.437 26.574 1.00 0.00 C ATOM 1005 CE LYS A 63 29.081 53.021 27.711 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.714 53.322 27.258 1.00 0.00 N ATOM 0 H LYS A 63 31.835 49.111 26.720 1.00 0.00 H new ATOM 0 HA LYS A 63 34.007 50.426 25.615 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.509 52.283 25.493 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.551 50.834 25.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.954 50.959 27.746 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.707 52.542 27.764 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.158 53.218 25.853 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.339 51.680 26.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.046 52.316 28.541 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.553 53.930 28.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.166 53.718 28.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.750 54.012 26.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.259 52.449 26.924 1.00 0.00 H new ATOM 1020 N GLU A 64 35.104 52.014 27.180 1.00 0.00 N ATOM 1021 CA GLU A 64 35.989 52.748 28.063 1.00 0.00 C ATOM 1022 C GLU A 64 36.766 51.873 29.048 1.00 0.00 C ATOM 1023 O GLU A 64 37.198 52.326 30.106 1.00 0.00 O ATOM 1024 CB GLU A 64 35.283 53.957 28.669 1.00 0.00 C ATOM 1025 CG GLU A 64 34.807 54.932 27.596 1.00 0.00 C ATOM 1026 CD GLU A 64 34.078 56.144 28.179 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.737 57.051 28.731 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.842 56.255 28.024 1.00 0.00 O ATOM 0 H GLU A 64 35.323 52.168 26.196 1.00 0.00 H new ATOM 0 HA GLU A 64 36.793 53.154 27.449 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.430 53.622 29.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.961 54.470 29.351 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.664 55.274 27.016 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.143 54.411 26.907 1.00 0.00 H new ATOM 1035 N SER A 65 36.990 50.611 28.694 1.00 0.00 N ATOM 1036 CA SER A 65 37.947 49.736 29.339 1.00 0.00 C ATOM 1037 C SER A 65 39.392 50.175 29.092 1.00 0.00 C ATOM 1038 O SER A 65 39.708 50.680 28.016 1.00 0.00 O ATOM 1039 CB SER A 65 37.810 48.303 28.832 1.00 0.00 C ATOM 1040 OG SER A 65 36.562 47.755 29.195 1.00 0.00 O ATOM 0 H SER A 65 36.492 50.161 27.926 1.00 0.00 H new ATOM 0 HA SER A 65 37.727 49.790 30.405 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.917 48.286 27.747 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.613 47.690 29.242 1.00 0.00 H new ATOM 0 HG SER A 65 35.931 47.859 28.453 1.00 0.00 H new ATOM 1046 N THR A 66 40.279 49.905 30.046 1.00 0.00 N ATOM 1047 CA THR A 66 41.715 50.001 29.884 1.00 0.00 C ATOM 1048 C THR A 66 42.343 48.608 29.823 1.00 0.00 C ATOM 1049 O THR A 66 42.121 47.780 30.703 1.00 0.00 O ATOM 1050 CB THR A 66 42.356 50.834 30.991 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.937 52.179 30.910 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.878 50.888 30.893 1.00 0.00 C ATOM 0 H THR A 66 40.003 49.604 30.981 1.00 0.00 H new ATOM 0 HA THR A 66 41.906 50.512 28.940 1.00 0.00 H new ATOM 0 HB THR A 66 42.049 50.349 31.918 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.357 52.696 31.629 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.274 51.495 31.707 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.283 49.878 30.963 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.166 51.329 29.939 1.00 0.00 H new ATOM 1060 N LEU A 67 43.138 48.348 28.788 1.00 0.00 N ATOM 1061 CA LEU A 67 43.911 47.140 28.580 1.00 0.00 C ATOM 1062 C LEU A 67 45.392 47.425 28.838 1.00 0.00 C ATOM 1063 O LEU A 67 45.830 48.573 28.786 1.00 0.00 O ATOM 1064 CB LEU A 67 43.691 46.609 27.166 1.00 0.00 C ATOM 1065 CG LEU A 67 42.342 45.961 26.869 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.156 46.922 26.860 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.394 45.294 25.498 1.00 0.00 C ATOM 0 H LEU A 67 43.263 49.019 28.030 1.00 0.00 H new ATOM 0 HA LEU A 67 43.580 46.374 29.281 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.830 47.435 26.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.471 45.878 26.954 1.00 0.00 H new ATOM 0 HG LEU A 67 42.180 45.254 27.683 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.242 46.370 26.640 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.066 47.398 27.836 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.312 47.685 26.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.432 44.830 25.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.614 46.043 24.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.173 44.532 25.493 1.00 0.00 H new ATOM 1079 N HIS A 68 46.186 46.386 29.077 1.00 0.00 N ATOM 1080 CA HIS A 68 47.622 46.463 29.253 1.00 0.00 C ATOM 1081 C HIS A 68 48.355 45.782 28.095 1.00 0.00 C ATOM 1082 O HIS A 68 47.943 44.724 27.626 1.00 0.00 O ATOM 1083 CB HIS A 68 48.016 45.860 30.597 1.00 0.00 C ATOM 1084 CG HIS A 68 47.490 46.562 31.820 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.346 45.980 33.077 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.114 47.878 31.903 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.912 46.947 33.889 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.749 48.097 33.216 1.00 0.00 N ATOM 0 H HIS A 68 45.828 45.434 29.155 1.00 0.00 H new ATOM 0 HA HIS A 68 47.920 47.512 29.249 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.674 44.825 30.622 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.104 45.837 30.656 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.105 48.600 31.100 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.718 46.821 34.944 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.414 48.978 33.606 1.00 0.00 H new ATOM 1096 N LEU A 69 49.452 46.383 27.642 1.00 0.00 N ATOM 1097 CA LEU A 69 50.294 45.912 26.561 1.00 0.00 C ATOM 1098 C LEU A 69 51.731 45.758 27.066 1.00 0.00 C ATOM 1099 O LEU A 69 52.262 46.649 27.724 1.00 0.00 O ATOM 1100 CB LEU A 69 50.179 46.891 25.396 1.00 0.00 C ATOM 1101 CG LEU A 69 51.150 46.717 24.230 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.986 45.388 23.500 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.924 47.822 23.202 1.00 0.00 C ATOM 0 H LEU A 69 49.790 47.257 28.044 1.00 0.00 H new ATOM 0 HA LEU A 69 49.975 44.932 26.207 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.165 46.827 25.002 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.304 47.899 25.790 1.00 0.00 H new ATOM 0 HG LEU A 69 52.148 46.754 24.666 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.706 45.330 22.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.159 44.567 24.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.975 45.316 23.098 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.619 47.694 22.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.901 47.769 22.830 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.091 48.793 23.669 1.00 0.00 H new ATOM 1115 N VAL A 70 52.369 44.640 26.728 1.00 0.00 N ATOM 1116 CA VAL A 70 53.792 44.419 26.887 1.00 0.00 C ATOM 1117 C VAL A 70 54.378 43.866 25.587 1.00 0.00 C ATOM 1118 O VAL A 70 53.687 43.179 24.836 1.00 0.00 O ATOM 1119 CB VAL A 70 54.122 43.535 28.086 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.574 44.112 29.388 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.627 42.097 27.968 1.00 0.00 C ATOM 0 H VAL A 70 51.886 43.839 26.322 1.00 0.00 H new ATOM 0 HA VAL A 70 54.259 45.381 27.099 1.00 0.00 H new ATOM 0 HB VAL A 70 55.212 43.517 28.098 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.832 43.451 30.216 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.008 45.097 29.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.490 44.201 29.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.905 41.542 28.864 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.542 42.093 27.861 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.079 41.627 27.095 1.00 0.00 H new ATOM 1131 N LEU A 71 55.638 44.177 25.296 1.00 0.00 N ATOM 1132 CA LEU A 71 56.315 43.770 24.082 1.00 0.00 C ATOM 1133 C LEU A 71 57.317 42.642 24.339 1.00 0.00 C ATOM 1134 O LEU A 71 58.110 42.740 25.272 1.00 0.00 O ATOM 1135 CB LEU A 71 56.971 44.963 23.391 1.00 0.00 C ATOM 1136 CG LEU A 71 56.057 46.153 23.112 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.825 47.193 22.303 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.787 45.783 22.351 1.00 0.00 C ATOM 0 H LEU A 71 56.226 44.733 25.917 1.00 0.00 H new ATOM 0 HA LEU A 71 55.560 43.372 23.404 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.802 45.304 24.008 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.394 44.624 22.445 1.00 0.00 H new ATOM 0 HG LEU A 71 55.747 46.543 24.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.178 48.046 22.100 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.695 47.524 22.869 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.151 46.753 21.361 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.186 46.678 22.189 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.054 45.345 21.389 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.212 45.061 22.931 1.00 0.00 H new ATOM 1150 N ARG A 72 57.290 41.595 23.520 1.00 0.00 N ATOM 1151 CA ARG A 72 58.188 40.460 23.574 1.00 0.00 C ATOM 1152 C ARG A 72 58.565 40.021 22.157 1.00 0.00 C ATOM 1153 O ARG A 72 57.716 39.974 21.270 1.00 0.00 O ATOM 1154 CB ARG A 72 57.572 39.315 24.371 1.00 0.00 C ATOM 1155 CG ARG A 72 57.355 39.662 25.842 1.00 0.00 C ATOM 1156 CD ARG A 72 56.854 38.477 26.663 1.00 0.00 C ATOM 1157 NE ARG A 72 56.535 38.888 28.031 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.413 38.616 28.710 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.521 37.699 28.313 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.122 39.280 29.838 1.00 0.00 N ATOM 0 H ARG A 72 56.607 41.517 22.767 1.00 0.00 H new ATOM 0 HA ARG A 72 59.100 40.758 24.091 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.617 39.040 23.923 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.220 38.441 24.301 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.292 40.022 26.267 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.637 40.478 25.916 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.969 38.051 26.191 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.613 37.695 26.681 1.00 0.00 H new ATOM 0 HE ARG A 72 57.241 39.439 28.518 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.681 37.169 27.456 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.682 37.530 28.868 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.757 39.999 30.185 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.265 39.067 30.349 1.00 0.00 H new ATOM 1174 N LEU A 73 59.842 39.724 21.929 1.00 0.00 N ATOM 1175 CA LEU A 73 60.415 39.500 20.617 1.00 0.00 C ATOM 1176 C LEU A 73 60.183 38.069 20.128 1.00 0.00 C ATOM 1177 O LEU A 73 60.925 37.160 20.491 1.00 0.00 O ATOM 1178 CB LEU A 73 61.892 39.875 20.699 1.00 0.00 C ATOM 1179 CG LEU A 73 62.629 39.865 19.363 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.290 41.082 18.508 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.139 39.868 19.586 1.00 0.00 C ATOM 0 H LEU A 73 60.524 39.631 22.682 1.00 0.00 H new ATOM 0 HA LEU A 73 59.924 40.124 19.871 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.976 40.869 21.137 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.391 39.184 21.379 1.00 0.00 H new ATOM 0 HG LEU A 73 62.310 38.960 18.845 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.839 41.030 17.568 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.219 41.096 18.303 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.569 41.991 19.041 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.649 39.861 18.623 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.423 40.762 20.140 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.425 38.983 20.154 1.00 0.00 H new ATOM 1193 N ARG A 74 59.200 37.866 19.255 1.00 0.00 N ATOM 1194 CA ARG A 74 58.897 36.597 18.622 1.00 0.00 C ATOM 1195 C ARG A 74 59.943 36.206 17.576 1.00 0.00 C ATOM 1196 O ARG A 74 60.213 35.024 17.377 1.00 0.00 O ATOM 1197 CB ARG A 74 57.493 36.687 18.028 1.00 0.00 C ATOM 1198 CG ARG A 74 56.892 35.371 17.540 1.00 0.00 C ATOM 1199 CD ARG A 74 56.450 34.439 18.665 1.00 0.00 C ATOM 1200 NE ARG A 74 55.240 34.908 19.339 1.00 0.00 N ATOM 1201 CZ ARG A 74 54.770 34.527 20.535 1.00 0.00 C ATOM 1202 NH1 ARG A 74 55.473 33.780 21.398 1.00 0.00 N ATOM 1203 NH2 ARG A 74 53.542 34.924 20.892 1.00 0.00 N ATOM 0 H ARG A 74 58.571 38.614 18.961 1.00 0.00 H new ATOM 0 HA ARG A 74 58.928 35.802 19.367 1.00 0.00 H new ATOM 0 HB2 ARG A 74 56.828 37.112 18.780 1.00 0.00 H new ATOM 0 HB3 ARG A 74 57.517 37.386 17.192 1.00 0.00 H new ATOM 0 HG2 ARG A 74 56.034 35.588 16.903 1.00 0.00 H new ATOM 0 HG3 ARG A 74 57.626 34.855 16.921 1.00 0.00 H new ATOM 0 HD2 ARG A 74 56.273 33.443 18.259 1.00 0.00 H new ATOM 0 HD3 ARG A 74 57.255 34.347 19.394 1.00 0.00 H new ATOM 0 HE ARG A 74 54.689 35.607 18.841 1.00 0.00 H new ATOM 0 HH11 ARG A 74 56.415 33.473 21.157 1.00 0.00 H new ATOM 0 HH12 ARG A 74 55.066 33.519 22.296 1.00 0.00 H new ATOM 0 HH21 ARG A 74 52.989 35.502 20.259 1.00 0.00 H new ATOM 0 HH22 ARG A 74 53.160 34.648 21.797 1.00 0.00 H new ATOM 1217 N GLY A 75 60.601 37.184 16.959 1.00 0.00 N ATOM 1218 CA GLY A 75 61.719 37.011 16.056 1.00 0.00 C ATOM 1219 C GLY A 75 63.077 36.749 16.711 1.00 0.00 C ATOM 1220 O GLY A 75 64.100 36.844 16.037 1.00 0.00 O ATOM 0 H GLY A 75 60.351 38.165 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.495 36.180 15.387 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.803 37.905 15.438 1.00 0.00 H new ATOM 1224 N GLY A 76 63.116 36.465 18.011 1.00 0.00 N ATOM 1225 CA GLY A 76 64.314 36.167 18.768 1.00 0.00 C ATOM 1226 C GLY A 76 64.834 34.749 18.521 1.00 0.00 C ATOM 1227 O GLY A 76 64.012 33.808 18.520 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.061 34.594 18.338 1.00 0.00 O ATOM 0 H GLY A 76 62.273 36.437 18.584 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.091 36.885 18.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.108 36.293 19.831 1.00 0.00 H new TER 1232 GLY A 76