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 60 ASN : amide:sc= 0.412 K(o=1.2,f=-0.8) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.77 K(o=1.2,f=-0.64) USER MOD Set 2.1: A 55 THR OG1 : rot -55:sc= 1.24 USER MOD Set 2.2: A 57 SER OG : rot -84:sc= 1.01 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 172:sc= 1.06 (180deg=-0.00489) USER MOD Set 3.2: A 12 THR OG1 : rot 139:sc= 0.899 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.927 (180deg=0.893) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.011 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 25 ASN : amide:sc= -0.987 K(o=-0.99,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.78 (180deg=1.28) USER MOD Single : A 31 GLN : amide:sc= -0.28 K(o=-0.28,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 40 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0.679 K(o=0.68,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 49 GLN : amide:sc= 0.418 K(o=0.42,f=-2.2!) USER MOD Single : A 59 TYR OH : rot -167:sc= 1.71 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.077 52.325 19.803 1.00 0.00 N ATOM 2 CA MET A 1 33.412 52.613 21.206 1.00 0.00 C ATOM 3 C MET A 1 34.929 52.765 21.335 1.00 0.00 C ATOM 4 O MET A 1 35.665 52.252 20.495 1.00 0.00 O ATOM 5 CB MET A 1 32.854 51.564 22.164 1.00 0.00 C ATOM 6 CG MET A 1 33.477 50.178 22.024 1.00 0.00 C ATOM 7 SD MET A 1 32.740 48.918 23.096 1.00 0.00 S ATOM 8 CE MET A 1 33.884 47.543 22.820 1.00 0.00 C ATOM 0 H1 MET A 1 32.067 52.087 19.729 1.00 0.00 H new ATOM 0 H2 MET A 1 33.279 53.162 19.219 1.00 0.00 H new ATOM 0 H3 MET A 1 33.647 51.523 19.468 1.00 0.00 H new ATOM 0 HA MET A 1 32.936 53.550 21.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.000 51.911 23.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.779 51.482 22.005 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.386 49.855 20.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.542 50.247 22.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.569 46.683 23.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.884 47.276 21.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.889 47.841 23.119 1.00 0.00 H new ATOM 20 N GLN A 2 35.419 53.447 22.366 1.00 0.00 N ATOM 21 CA GLN A 2 36.834 53.634 22.610 1.00 0.00 C ATOM 22 C GLN A 2 37.293 52.839 23.835 1.00 0.00 C ATOM 23 O GLN A 2 36.525 52.652 24.775 1.00 0.00 O ATOM 24 CB GLN A 2 37.188 55.116 22.686 1.00 0.00 C ATOM 25 CG GLN A 2 36.848 55.853 21.394 1.00 0.00 C ATOM 26 CD GLN A 2 37.256 57.327 21.400 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.254 57.743 21.984 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.513 58.188 20.711 1.00 0.00 N ATOM 0 H GLN A 2 34.826 53.892 23.066 1.00 0.00 H new ATOM 0 HA GLN A 2 37.388 53.232 21.762 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.651 55.575 23.517 1.00 0.00 H new ATOM 0 HB3 GLN A 2 38.252 55.224 22.895 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.341 55.352 20.560 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.775 55.783 21.218 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.681 57.863 20.219 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.776 59.173 20.674 1.00 0.00 H new ATOM 37 N ILE A 3 38.540 52.377 23.806 1.00 0.00 N ATOM 38 CA ILE A 3 39.205 51.713 24.908 1.00 0.00 C ATOM 39 C ILE A 3 40.604 52.296 25.126 1.00 0.00 C ATOM 40 O ILE A 3 41.223 52.831 24.209 1.00 0.00 O ATOM 41 CB ILE A 3 39.249 50.197 24.736 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.982 49.761 23.471 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.844 49.608 24.819 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.234 48.259 23.386 1.00 0.00 C ATOM 0 H ILE A 3 39.132 52.461 22.980 1.00 0.00 H new ATOM 0 HA ILE A 3 38.613 51.902 25.804 1.00 0.00 H new ATOM 0 HB ILE A 3 39.835 49.796 25.563 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.402 50.071 22.602 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.938 50.283 23.419 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.895 48.526 24.694 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.409 49.841 25.791 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.223 50.035 24.031 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.759 48.030 22.459 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.842 47.943 24.234 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.282 47.729 23.404 1.00 0.00 H new ATOM 56 N PHE A 4 41.102 52.166 26.352 1.00 0.00 N ATOM 57 CA PHE A 4 42.440 52.578 26.726 1.00 0.00 C ATOM 58 C PHE A 4 43.422 51.407 26.648 1.00 0.00 C ATOM 59 O PHE A 4 43.107 50.305 27.093 1.00 0.00 O ATOM 60 CB PHE A 4 42.396 53.185 28.125 1.00 0.00 C ATOM 61 CG PHE A 4 41.557 54.434 28.248 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.800 55.542 27.428 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.517 54.486 29.185 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.007 56.690 27.535 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.731 55.639 29.303 1.00 0.00 C ATOM 66 CZ PHE A 4 39.970 56.741 28.472 1.00 0.00 C ATOM 0 H PHE A 4 40.572 51.763 27.124 1.00 0.00 H new ATOM 0 HA PHE A 4 42.799 53.331 26.024 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.012 52.437 28.818 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.414 53.416 28.437 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.605 55.511 26.708 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.321 53.634 29.819 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.196 57.538 26.893 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.939 55.679 30.036 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.356 57.626 28.554 1.00 0.00 H new ATOM 76 N VAL A 5 44.623 51.636 26.124 1.00 0.00 N ATOM 77 CA VAL A 5 45.689 50.656 26.072 1.00 0.00 C ATOM 78 C VAL A 5 46.923 51.230 26.770 1.00 0.00 C ATOM 79 O VAL A 5 47.545 52.160 26.258 1.00 0.00 O ATOM 80 CB VAL A 5 45.997 50.239 24.637 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.011 49.100 24.611 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.754 49.778 23.882 1.00 0.00 C ATOM 0 H VAL A 5 44.882 52.534 25.715 1.00 0.00 H new ATOM 0 HA VAL A 5 45.372 49.752 26.592 1.00 0.00 H new ATOM 0 HB VAL A 5 46.399 51.126 24.147 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.216 48.819 23.578 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.935 49.425 25.089 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.608 48.241 25.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.030 49.493 22.867 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.315 48.921 24.393 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.028 50.590 23.846 1.00 0.00 H new ATOM 92 N LYS A 6 47.278 50.706 27.940 1.00 0.00 N ATOM 93 CA LYS A 6 48.430 51.121 28.715 1.00 0.00 C ATOM 94 C LYS A 6 49.674 50.307 28.353 1.00 0.00 C ATOM 95 O LYS A 6 49.639 49.079 28.413 1.00 0.00 O ATOM 96 CB LYS A 6 48.123 51.050 30.207 1.00 0.00 C ATOM 97 CG LYS A 6 47.493 52.357 30.684 1.00 0.00 C ATOM 98 CD LYS A 6 47.076 52.295 32.150 1.00 0.00 C ATOM 99 CE LYS A 6 46.794 53.670 32.749 1.00 0.00 C ATOM 100 NZ LYS A 6 45.742 54.408 32.033 1.00 0.00 N ATOM 0 H LYS A 6 46.749 49.955 28.385 1.00 0.00 H new ATOM 0 HA LYS A 6 48.650 52.159 28.466 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.447 50.219 30.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.039 50.856 30.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.203 53.173 30.544 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.622 52.584 30.070 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.184 51.675 32.242 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.864 51.809 32.726 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.501 53.552 33.792 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.712 54.258 32.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.501 55.270 32.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.083 54.667 31.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 44.897 53.809 31.944 1.00 0.00 H new ATOM 114 N THR A 7 50.757 50.990 27.998 1.00 0.00 N ATOM 115 CA THR A 7 52.024 50.383 27.642 1.00 0.00 C ATOM 116 C THR A 7 52.998 50.289 28.818 1.00 0.00 C ATOM 117 O THR A 7 52.712 50.746 29.922 1.00 0.00 O ATOM 118 CB THR A 7 52.616 51.069 26.415 1.00 0.00 C ATOM 119 OG1 THR A 7 53.579 50.211 25.845 1.00 0.00 O ATOM 120 CG2 THR A 7 53.299 52.406 26.690 1.00 0.00 C ATOM 0 H THR A 7 50.773 52.009 27.950 1.00 0.00 H new ATOM 0 HA THR A 7 51.830 49.345 27.372 1.00 0.00 H new ATOM 0 HB THR A 7 51.773 51.276 25.756 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.969 50.637 25.053 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.687 52.815 25.757 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.578 53.102 27.119 1.00 0.00 H new ATOM 0 HG23 THR A 7 54.120 52.258 27.391 1.00 0.00 H new ATOM 128 N LEU A 8 54.175 49.712 28.588 1.00 0.00 N ATOM 129 CA LEU A 8 55.215 49.470 29.568 1.00 0.00 C ATOM 130 C LEU A 8 55.782 50.714 30.253 1.00 0.00 C ATOM 131 O LEU A 8 56.339 50.588 31.342 1.00 0.00 O ATOM 132 CB LEU A 8 56.334 48.682 28.893 1.00 0.00 C ATOM 133 CG LEU A 8 56.007 47.234 28.541 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.159 46.636 27.739 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.807 46.380 29.789 1.00 0.00 C ATOM 0 H LEU A 8 54.437 49.385 27.658 1.00 0.00 H new ATOM 0 HA LEU A 8 54.748 48.909 30.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.619 49.203 27.979 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.205 48.689 29.549 1.00 0.00 H new ATOM 0 HG LEU A 8 55.082 47.237 27.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.928 45.601 27.486 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.301 47.210 26.823 1.00 0.00 H new ATOM 0 HD13 LEU A 8 58.072 46.669 28.334 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.576 45.356 29.496 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.719 46.390 30.386 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.983 46.783 30.378 1.00 0.00 H new ATOM 147 N THR A 9 55.623 51.904 29.679 1.00 0.00 N ATOM 148 CA THR A 9 55.965 53.179 30.276 1.00 0.00 C ATOM 149 C THR A 9 54.839 53.787 31.114 1.00 0.00 C ATOM 150 O THR A 9 54.972 54.898 31.622 1.00 0.00 O ATOM 151 CB THR A 9 56.422 54.199 29.237 1.00 0.00 C ATOM 152 OG1 THR A 9 55.337 54.563 28.413 1.00 0.00 O ATOM 153 CG2 THR A 9 57.544 53.705 28.328 1.00 0.00 C ATOM 0 H THR A 9 55.234 52.003 28.741 1.00 0.00 H new ATOM 0 HA THR A 9 56.793 52.950 30.947 1.00 0.00 H new ATOM 0 HB THR A 9 56.806 55.043 29.811 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.636 55.219 27.749 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.810 54.489 27.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.415 53.450 28.931 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.209 52.822 27.784 1.00 0.00 H new ATOM 161 N GLY A 10 53.700 53.111 31.236 1.00 0.00 N ATOM 162 CA GLY A 10 52.487 53.639 31.827 1.00 0.00 C ATOM 163 C GLY A 10 51.710 54.604 30.930 1.00 0.00 C ATOM 164 O GLY A 10 50.602 54.988 31.298 1.00 0.00 O ATOM 0 H GLY A 10 53.599 52.149 30.913 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.836 52.806 32.093 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.743 54.152 32.754 1.00 0.00 H new ATOM 168 N LYS A 11 52.227 54.984 29.764 1.00 0.00 N ATOM 169 CA LYS A 11 51.526 55.835 28.824 1.00 0.00 C ATOM 170 C LYS A 11 50.298 55.121 28.256 1.00 0.00 C ATOM 171 O LYS A 11 50.344 53.921 27.993 1.00 0.00 O ATOM 172 CB LYS A 11 52.462 56.325 27.724 1.00 0.00 C ATOM 173 CG LYS A 11 51.893 57.542 26.998 1.00 0.00 C ATOM 174 CD LYS A 11 52.782 57.996 25.843 1.00 0.00 C ATOM 175 CE LYS A 11 52.298 59.348 25.329 1.00 0.00 C ATOM 176 NZ LYS A 11 53.064 59.790 24.153 1.00 0.00 N ATOM 0 H LYS A 11 53.155 54.703 29.448 1.00 0.00 H new ATOM 0 HA LYS A 11 51.171 56.717 29.358 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.430 56.579 28.156 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.634 55.522 27.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.900 57.304 26.617 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.774 58.362 27.706 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.818 58.071 26.175 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.757 57.260 25.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.241 59.282 25.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.387 60.091 26.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.706 60.712 23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.069 59.877 24.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.959 59.093 23.388 1.00 0.00 H new ATOM 190 N THR A 12 49.215 55.863 28.044 1.00 0.00 N ATOM 191 CA THR A 12 47.973 55.350 27.504 1.00 0.00 C ATOM 192 C THR A 12 47.798 55.757 26.040 1.00 0.00 C ATOM 193 O THR A 12 47.919 56.933 25.703 1.00 0.00 O ATOM 194 CB THR A 12 46.781 55.810 28.337 1.00 0.00 C ATOM 195 OG1 THR A 12 46.949 55.412 29.679 1.00 0.00 O ATOM 196 CG2 THR A 12 45.471 55.158 27.902 1.00 0.00 C ATOM 0 H THR A 12 49.182 56.861 28.250 1.00 0.00 H new ATOM 0 HA THR A 12 48.018 54.262 27.549 1.00 0.00 H new ATOM 0 HB THR A 12 46.735 56.891 28.208 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.664 56.137 30.273 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.657 55.522 28.529 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.267 55.410 26.861 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.552 54.076 28.005 1.00 0.00 H new ATOM 204 N ILE A 13 47.454 54.800 25.180 1.00 0.00 N ATOM 205 CA ILE A 13 46.985 54.998 23.825 1.00 0.00 C ATOM 206 C ILE A 13 45.464 54.830 23.806 1.00 0.00 C ATOM 207 O ILE A 13 44.941 53.935 24.467 1.00 0.00 O ATOM 208 CB ILE A 13 47.690 54.035 22.875 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.212 54.118 22.941 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.213 54.208 21.436 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.838 55.472 22.620 1.00 0.00 C ATOM 0 H ILE A 13 47.501 53.813 25.432 1.00 0.00 H new ATOM 0 HA ILE A 13 47.223 56.004 23.480 1.00 0.00 H new ATOM 0 HB ILE A 13 47.412 53.039 23.220 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.526 53.827 23.944 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.623 53.381 22.252 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.739 53.504 20.791 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.141 54.018 21.383 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.418 55.226 21.105 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.923 55.400 22.702 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.569 55.766 21.605 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.470 56.219 23.323 1.00 0.00 H new ATOM 223 N THR A 14 44.742 55.666 23.065 1.00 0.00 N ATOM 224 CA THR A 14 43.305 55.573 22.915 1.00 0.00 C ATOM 225 C THR A 14 42.964 54.902 21.582 1.00 0.00 C ATOM 226 O THR A 14 43.413 55.354 20.531 1.00 0.00 O ATOM 227 CB THR A 14 42.642 56.944 23.014 1.00 0.00 C ATOM 228 OG1 THR A 14 43.092 57.643 24.153 1.00 0.00 O ATOM 229 CG2 THR A 14 41.127 56.823 23.160 1.00 0.00 C ATOM 0 H THR A 14 45.154 56.440 22.544 1.00 0.00 H new ATOM 0 HA THR A 14 42.915 54.964 23.731 1.00 0.00 H new ATOM 0 HB THR A 14 42.903 57.471 22.096 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.654 58.519 24.193 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.687 57.818 23.228 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.718 56.304 22.293 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.892 56.260 24.064 1.00 0.00 H new ATOM 237 N LEU A 15 42.178 53.829 21.603 1.00 0.00 N ATOM 238 CA LEU A 15 41.884 53.023 20.436 1.00 0.00 C ATOM 239 C LEU A 15 40.378 52.884 20.204 1.00 0.00 C ATOM 240 O LEU A 15 39.649 52.517 21.123 1.00 0.00 O ATOM 241 CB LEU A 15 42.564 51.668 20.614 1.00 0.00 C ATOM 242 CG LEU A 15 42.853 50.947 19.300 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.052 51.569 18.589 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.173 49.481 19.576 1.00 0.00 C ATOM 0 H LEU A 15 41.722 53.494 22.452 1.00 0.00 H new ATOM 0 HA LEU A 15 42.273 53.512 19.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.500 51.810 21.153 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.932 51.033 21.235 1.00 0.00 H new ATOM 0 HG LEU A 15 41.969 51.036 18.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.237 51.038 17.656 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.844 52.617 18.375 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.932 51.497 19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.379 48.970 18.635 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.047 49.415 20.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.322 49.009 20.067 1.00 0.00 H new ATOM 256 N GLU A 16 39.913 53.127 18.981 1.00 0.00 N ATOM 257 CA GLU A 16 38.531 52.916 18.604 1.00 0.00 C ATOM 258 C GLU A 16 38.294 51.503 18.067 1.00 0.00 C ATOM 259 O GLU A 16 39.012 51.008 17.201 1.00 0.00 O ATOM 260 CB GLU A 16 38.050 54.008 17.654 1.00 0.00 C ATOM 261 CG GLU A 16 36.571 53.849 17.312 1.00 0.00 C ATOM 262 CD GLU A 16 35.977 55.118 16.696 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.675 55.121 15.483 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.773 56.100 17.442 1.00 0.00 O ATOM 0 H GLU A 16 40.496 53.479 18.222 1.00 0.00 H new ATOM 0 HA GLU A 16 37.920 52.994 19.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.215 54.985 18.109 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.640 53.979 16.738 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.449 53.019 16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.017 53.593 18.215 1.00 0.00 H new ATOM 271 N VAL A 17 37.263 50.853 18.599 1.00 0.00 N ATOM 272 CA VAL A 17 36.925 49.456 18.411 1.00 0.00 C ATOM 273 C VAL A 17 35.411 49.252 18.343 1.00 0.00 C ATOM 274 O VAL A 17 34.624 50.068 18.820 1.00 0.00 O ATOM 275 CB VAL A 17 37.524 48.588 19.513 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.049 48.559 19.469 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.090 49.016 20.912 1.00 0.00 C ATOM 0 H VAL A 17 36.600 51.325 19.214 1.00 0.00 H new ATOM 0 HA VAL A 17 37.355 49.148 17.458 1.00 0.00 H new ATOM 0 HB VAL A 17 37.136 47.589 19.314 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.424 47.927 20.274 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.378 48.158 18.510 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.436 49.571 19.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.549 48.360 21.652 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.405 50.044 21.092 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.005 48.950 20.992 1.00 0.00 H new ATOM 287 N GLU A 18 35.005 48.111 17.793 1.00 0.00 N ATOM 288 CA GLU A 18 33.671 47.561 17.932 1.00 0.00 C ATOM 289 C GLU A 18 33.745 46.265 18.741 1.00 0.00 C ATOM 290 O GLU A 18 34.759 45.571 18.675 1.00 0.00 O ATOM 291 CB GLU A 18 33.081 47.289 16.551 1.00 0.00 C ATOM 292 CG GLU A 18 32.741 48.539 15.746 1.00 0.00 C ATOM 293 CD GLU A 18 31.440 49.195 16.213 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.354 48.593 16.069 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.464 50.345 16.700 1.00 0.00 O ATOM 0 H GLU A 18 35.619 47.530 17.222 1.00 0.00 H new ATOM 0 HA GLU A 18 33.030 48.273 18.452 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.789 46.687 15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.177 46.692 16.668 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.558 49.256 15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.655 48.277 14.691 1.00 0.00 H new ATOM 302 N PRO A 19 32.704 45.857 19.460 1.00 0.00 N ATOM 303 CA PRO A 19 32.710 44.632 20.234 1.00 0.00 C ATOM 304 C PRO A 19 32.821 43.342 19.419 1.00 0.00 C ATOM 305 O PRO A 19 32.999 42.270 19.993 1.00 0.00 O ATOM 306 CB PRO A 19 31.452 44.684 21.095 1.00 0.00 C ATOM 307 CG PRO A 19 30.511 45.619 20.340 1.00 0.00 C ATOM 308 CD PRO A 19 31.473 46.594 19.666 1.00 0.00 C ATOM 0 HA PRO A 19 33.617 44.588 20.837 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.014 43.694 21.217 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.670 45.062 22.094 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.904 45.081 19.612 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.823 46.130 21.013 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.068 46.951 18.719 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.642 47.471 20.291 1.00 0.00 H new ATOM 316 N SER A 20 32.750 43.422 18.093 1.00 0.00 N ATOM 317 CA SER A 20 33.019 42.354 17.152 1.00 0.00 C ATOM 318 C SER A 20 34.458 42.310 16.631 1.00 0.00 C ATOM 319 O SER A 20 34.789 41.418 15.855 1.00 0.00 O ATOM 320 CB SER A 20 32.026 42.433 15.996 1.00 0.00 C ATOM 321 OG SER A 20 31.966 43.724 15.432 1.00 0.00 O ATOM 0 H SER A 20 32.487 44.289 17.625 1.00 0.00 H new ATOM 0 HA SER A 20 32.892 41.421 17.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.309 41.715 15.226 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.036 42.147 16.350 1.00 0.00 H new ATOM 0 HG SER A 20 31.320 43.729 14.695 1.00 0.00 H new ATOM 327 N ASP A 21 35.333 43.233 17.020 1.00 0.00 N ATOM 328 CA ASP A 21 36.721 43.231 16.603 1.00 0.00 C ATOM 329 C ASP A 21 37.503 42.086 17.250 1.00 0.00 C ATOM 330 O ASP A 21 37.303 41.775 18.423 1.00 0.00 O ATOM 331 CB ASP A 21 37.393 44.564 16.919 1.00 0.00 C ATOM 332 CG ASP A 21 36.911 45.756 16.087 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.179 45.594 15.087 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.319 46.897 16.393 1.00 0.00 O ATOM 0 H ASP A 21 35.091 44.007 17.638 1.00 0.00 H new ATOM 0 HA ASP A 21 36.728 43.082 15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.234 44.791 17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.468 44.453 16.775 1.00 0.00 H new ATOM 339 N THR A 22 38.418 41.472 16.505 1.00 0.00 N ATOM 340 CA THR A 22 39.335 40.465 16.999 1.00 0.00 C ATOM 341 C THR A 22 40.637 41.056 17.545 1.00 0.00 C ATOM 342 O THR A 22 41.055 42.138 17.140 1.00 0.00 O ATOM 343 CB THR A 22 39.566 39.361 15.972 1.00 0.00 C ATOM 344 OG1 THR A 22 40.538 38.463 16.456 1.00 0.00 O ATOM 345 CG2 THR A 22 40.038 39.845 14.605 1.00 0.00 C ATOM 0 H THR A 22 38.540 41.672 15.512 1.00 0.00 H new ATOM 0 HA THR A 22 38.853 39.998 17.858 1.00 0.00 H new ATOM 0 HB THR A 22 38.590 38.896 15.833 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.685 37.753 15.797 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.175 38.990 13.943 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.293 40.517 14.180 1.00 0.00 H new ATOM 0 HG23 THR A 22 40.984 40.375 14.713 1.00 0.00 H new ATOM 353 N ILE A 23 41.323 40.351 18.442 1.00 0.00 N ATOM 354 CA ILE A 23 42.553 40.797 19.066 1.00 0.00 C ATOM 355 C ILE A 23 43.672 41.039 18.052 1.00 0.00 C ATOM 356 O ILE A 23 44.457 41.970 18.224 1.00 0.00 O ATOM 357 CB ILE A 23 42.975 39.820 20.159 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.891 39.550 21.199 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.251 40.264 20.869 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.266 40.774 21.861 1.00 0.00 C ATOM 0 H ILE A 23 41.025 39.429 18.759 1.00 0.00 H new ATOM 0 HA ILE A 23 42.357 41.765 19.528 1.00 0.00 H new ATOM 0 HB ILE A 23 43.161 38.887 19.627 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.096 38.976 20.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.316 38.919 21.980 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.511 39.537 21.638 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.064 40.334 20.146 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.090 41.238 21.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.511 40.454 22.579 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.039 41.343 22.377 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.800 41.401 21.101 1.00 0.00 H new ATOM 372 N GLU A 24 43.724 40.300 16.948 1.00 0.00 N ATOM 373 CA GLU A 24 44.663 40.573 15.879 1.00 0.00 C ATOM 374 C GLU A 24 44.375 41.896 15.167 1.00 0.00 C ATOM 375 O GLU A 24 45.306 42.583 14.749 1.00 0.00 O ATOM 376 CB GLU A 24 44.742 39.397 14.909 1.00 0.00 C ATOM 377 CG GLU A 24 43.411 39.044 14.252 1.00 0.00 C ATOM 378 CD GLU A 24 43.574 38.027 13.121 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.128 38.393 12.062 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.121 36.871 13.273 1.00 0.00 O ATOM 0 H GLU A 24 43.116 39.499 16.775 1.00 0.00 H new ATOM 0 HA GLU A 24 45.646 40.691 16.334 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.469 39.629 14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.115 38.523 15.443 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.732 38.642 15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.950 39.950 13.859 1.00 0.00 H new ATOM 387 N ASN A 25 43.117 42.318 15.096 1.00 0.00 N ATOM 388 CA ASN A 25 42.721 43.603 14.556 1.00 0.00 C ATOM 389 C ASN A 25 43.044 44.747 15.518 1.00 0.00 C ATOM 390 O ASN A 25 43.524 45.791 15.081 1.00 0.00 O ATOM 391 CB ASN A 25 41.246 43.557 14.170 1.00 0.00 C ATOM 392 CG ASN A 25 40.827 44.825 13.424 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.139 45.694 13.957 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.225 44.948 12.161 1.00 0.00 N ATOM 0 H ASN A 25 42.329 41.758 15.422 1.00 0.00 H new ATOM 0 HA ASN A 25 43.301 43.806 13.656 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.059 42.685 13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.637 43.442 15.066 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.960 45.772 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.795 44.219 11.733 1.00 0.00 H new ATOM 401 N VAL A 26 42.894 44.544 16.824 1.00 0.00 N ATOM 402 CA VAL A 26 43.377 45.462 17.835 1.00 0.00 C ATOM 403 C VAL A 26 44.878 45.706 17.662 1.00 0.00 C ATOM 404 O VAL A 26 45.305 46.857 17.591 1.00 0.00 O ATOM 405 CB VAL A 26 43.059 44.955 19.239 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.658 45.813 20.350 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.553 44.890 19.477 1.00 0.00 C ATOM 0 H VAL A 26 42.426 43.723 17.209 1.00 0.00 H new ATOM 0 HA VAL A 26 42.860 46.413 17.707 1.00 0.00 H new ATOM 0 HB VAL A 26 43.509 43.963 19.281 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.390 45.392 21.319 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.743 45.832 20.250 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.269 46.828 20.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.359 44.525 20.486 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.123 45.885 19.362 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.099 44.213 18.753 1.00 0.00 H new ATOM 417 N LYS A 27 45.669 44.650 17.497 1.00 0.00 N ATOM 418 CA LYS A 27 47.095 44.749 17.265 1.00 0.00 C ATOM 419 C LYS A 27 47.435 45.464 15.956 1.00 0.00 C ATOM 420 O LYS A 27 48.355 46.279 15.936 1.00 0.00 O ATOM 421 CB LYS A 27 47.724 43.360 17.324 1.00 0.00 C ATOM 422 CG LYS A 27 47.693 42.755 18.724 1.00 0.00 C ATOM 423 CD LYS A 27 48.056 41.273 18.713 1.00 0.00 C ATOM 424 CE LYS A 27 48.104 40.726 20.138 1.00 0.00 C ATOM 425 NZ LYS A 27 48.312 39.271 20.157 1.00 0.00 N ATOM 0 H LYS A 27 45.326 43.690 17.522 1.00 0.00 H new ATOM 0 HA LYS A 27 47.518 45.366 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.198 42.699 16.636 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.757 43.419 16.982 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.388 43.294 19.368 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.699 42.882 19.152 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.324 40.717 18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.023 41.132 18.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.908 41.215 20.688 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.173 40.967 20.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.271 38.927 21.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.569 38.807 19.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.243 39.048 19.751 1.00 0.00 H new ATOM 439 N ALA A 28 46.673 45.235 14.890 1.00 0.00 N ATOM 440 CA ALA A 28 46.831 45.913 13.620 1.00 0.00 C ATOM 441 C ALA A 28 46.468 47.398 13.665 1.00 0.00 C ATOM 442 O ALA A 28 47.130 48.207 13.018 1.00 0.00 O ATOM 443 CB ALA A 28 46.008 45.187 12.559 1.00 0.00 C ATOM 0 H ALA A 28 45.912 44.556 14.892 1.00 0.00 H new ATOM 0 HA ALA A 28 47.891 45.880 13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.123 45.693 11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.356 44.158 12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.957 45.191 12.848 1.00 0.00 H new ATOM 449 N LYS A 29 45.466 47.789 14.448 1.00 0.00 N ATOM 450 CA LYS A 29 45.107 49.172 14.686 1.00 0.00 C ATOM 451 C LYS A 29 46.165 49.912 15.506 1.00 0.00 C ATOM 452 O LYS A 29 46.460 51.069 15.213 1.00 0.00 O ATOM 453 CB LYS A 29 43.747 49.241 15.374 1.00 0.00 C ATOM 454 CG LYS A 29 42.565 48.935 14.458 1.00 0.00 C ATOM 455 CD LYS A 29 41.287 48.840 15.288 1.00 0.00 C ATOM 456 CE LYS A 29 40.050 48.821 14.394 1.00 0.00 C ATOM 457 NZ LYS A 29 38.817 48.868 15.195 1.00 0.00 N ATOM 0 H LYS A 29 44.868 47.129 14.945 1.00 0.00 H new ATOM 0 HA LYS A 29 45.050 49.672 13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.738 48.538 16.207 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.616 50.237 15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.464 49.716 13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.736 47.999 13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.312 47.937 15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.231 49.686 15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.077 49.671 13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.055 47.920 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.018 49.141 14.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.634 47.930 15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.926 49.566 15.959 1.00 0.00 H new ATOM 471 N ILE A 30 46.775 49.244 16.482 1.00 0.00 N ATOM 472 CA ILE A 30 47.916 49.740 17.225 1.00 0.00 C ATOM 473 C ILE A 30 49.122 49.937 16.305 1.00 0.00 C ATOM 474 O ILE A 30 49.793 50.962 16.404 1.00 0.00 O ATOM 475 CB ILE A 30 48.216 48.833 18.415 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.117 48.959 19.466 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.574 49.130 19.044 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.119 47.852 20.516 1.00 0.00 C ATOM 0 H ILE A 30 46.475 48.316 16.782 1.00 0.00 H new ATOM 0 HA ILE A 30 47.676 50.722 17.632 1.00 0.00 H new ATOM 0 HB ILE A 30 48.247 47.811 18.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.221 49.920 19.969 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.150 48.965 18.964 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.740 48.458 19.886 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.359 48.982 18.302 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.595 50.162 19.394 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.306 48.019 21.223 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.982 46.887 20.028 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.070 47.858 21.049 1.00 0.00 H new ATOM 490 N GLN A 31 49.367 49.021 15.371 1.00 0.00 N ATOM 491 CA GLN A 31 50.404 49.165 14.370 1.00 0.00 C ATOM 492 C GLN A 31 50.173 50.382 13.472 1.00 0.00 C ATOM 493 O GLN A 31 51.098 51.162 13.257 1.00 0.00 O ATOM 494 CB GLN A 31 50.502 47.887 13.541 1.00 0.00 C ATOM 495 CG GLN A 31 51.716 47.897 12.616 1.00 0.00 C ATOM 496 CD GLN A 31 51.798 46.659 11.722 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.831 45.941 11.478 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.982 46.347 11.203 1.00 0.00 N ATOM 0 H GLN A 31 48.841 48.150 15.293 1.00 0.00 H new ATOM 0 HA GLN A 31 51.349 49.331 14.887 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.561 47.026 14.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.595 47.769 12.948 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.681 48.789 11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.623 47.965 13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.794 46.933 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.078 45.522 10.612 1.00 0.00 H new ATOM 507 N ASP A 32 48.956 50.578 12.970 1.00 0.00 N ATOM 508 CA ASP A 32 48.577 51.704 12.142 1.00 0.00 C ATOM 509 C ASP A 32 48.791 53.059 12.817 1.00 0.00 C ATOM 510 O ASP A 32 49.195 54.009 12.150 1.00 0.00 O ATOM 511 CB ASP A 32 47.129 51.488 11.713 1.00 0.00 C ATOM 512 CG ASP A 32 46.504 52.666 10.965 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.688 53.379 11.589 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.785 52.836 9.759 1.00 0.00 O ATOM 0 H ASP A 32 48.185 49.931 13.138 1.00 0.00 H new ATOM 0 HA ASP A 32 49.229 51.743 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.080 50.604 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.529 51.277 12.598 1.00 0.00 H new ATOM 519 N LYS A 33 48.606 53.148 14.131 1.00 0.00 N ATOM 520 CA LYS A 33 48.882 54.346 14.898 1.00 0.00 C ATOM 521 C LYS A 33 50.354 54.533 15.272 1.00 0.00 C ATOM 522 O LYS A 33 50.918 55.589 14.995 1.00 0.00 O ATOM 523 CB LYS A 33 47.995 54.425 16.138 1.00 0.00 C ATOM 524 CG LYS A 33 46.537 54.687 15.774 1.00 0.00 C ATOM 525 CD LYS A 33 45.617 54.887 16.974 1.00 0.00 C ATOM 526 CE LYS A 33 46.011 56.128 17.769 1.00 0.00 C ATOM 527 NZ LYS A 33 44.878 56.680 18.529 1.00 0.00 N ATOM 0 H LYS A 33 48.255 52.375 14.696 1.00 0.00 H new ATOM 0 HA LYS A 33 48.641 55.173 14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.068 53.493 16.698 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.355 55.219 16.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.486 55.573 15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.166 53.850 15.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.586 54.982 16.633 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.660 54.009 17.619 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.820 55.877 18.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.395 56.888 17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.190 57.522 19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.116 56.944 17.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.527 55.965 19.198 1.00 0.00 H new ATOM 541 N GLU A 34 50.974 53.549 15.918 1.00 0.00 N ATOM 542 CA GLU A 34 52.223 53.718 16.631 1.00 0.00 C ATOM 543 C GLU A 34 53.390 52.885 16.097 1.00 0.00 C ATOM 544 O GLU A 34 54.493 52.956 16.635 1.00 0.00 O ATOM 545 CB GLU A 34 52.003 53.484 18.123 1.00 0.00 C ATOM 546 CG GLU A 34 50.910 54.326 18.776 1.00 0.00 C ATOM 547 CD GLU A 34 51.094 55.837 18.618 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.237 56.326 18.745 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.090 56.550 18.406 1.00 0.00 O ATOM 0 H GLU A 34 50.610 52.597 15.957 1.00 0.00 H new ATOM 0 HA GLU A 34 52.532 54.749 16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.763 52.432 18.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.942 53.675 18.643 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.948 54.043 18.350 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.870 54.087 19.839 1.00 0.00 H new ATOM 556 N GLY A 35 53.198 52.109 15.033 1.00 0.00 N ATOM 557 CA GLY A 35 54.263 51.438 14.314 1.00 0.00 C ATOM 558 C GLY A 35 54.763 50.120 14.910 1.00 0.00 C ATOM 559 O GLY A 35 55.719 49.551 14.389 1.00 0.00 O ATOM 0 H GLY A 35 52.273 51.929 14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.920 51.245 13.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.109 52.122 14.240 1.00 0.00 H new ATOM 563 N ILE A 36 54.133 49.603 15.960 1.00 0.00 N ATOM 564 CA ILE A 36 54.516 48.374 16.625 1.00 0.00 C ATOM 565 C ILE A 36 53.908 47.186 15.877 1.00 0.00 C ATOM 566 O ILE A 36 52.684 47.092 15.845 1.00 0.00 O ATOM 567 CB ILE A 36 54.071 48.401 18.084 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.592 49.611 18.855 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.524 47.124 18.786 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.894 49.835 20.193 1.00 0.00 C ATOM 0 H ILE A 36 53.316 50.046 16.381 1.00 0.00 H new ATOM 0 HA ILE A 36 55.601 48.272 16.615 1.00 0.00 H new ATOM 0 HB ILE A 36 52.983 48.473 18.074 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.661 49.486 19.030 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.471 50.502 18.239 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.204 47.148 19.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.082 46.260 18.290 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.611 47.051 18.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.318 50.712 20.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.828 49.992 20.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.036 48.961 20.828 1.00 0.00 H new ATOM 582 N PRO A 37 54.669 46.269 15.287 1.00 0.00 N ATOM 583 CA PRO A 37 54.107 45.189 14.500 1.00 0.00 C ATOM 584 C PRO A 37 53.421 44.123 15.356 1.00 0.00 C ATOM 585 O PRO A 37 53.772 43.957 16.522 1.00 0.00 O ATOM 586 CB PRO A 37 55.261 44.627 13.675 1.00 0.00 C ATOM 587 CG PRO A 37 56.455 44.866 14.595 1.00 0.00 C ATOM 588 CD PRO A 37 56.116 46.195 15.264 1.00 0.00 C ATOM 0 HA PRO A 37 53.309 45.557 13.855 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.125 43.569 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.371 45.144 12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.568 44.065 15.325 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.389 44.923 14.036 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.526 46.240 16.273 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.541 47.031 14.709 1.00 0.00 H new ATOM 596 N PRO A 38 52.450 43.381 14.831 1.00 0.00 N ATOM 597 CA PRO A 38 51.530 42.619 15.650 1.00 0.00 C ATOM 598 C PRO A 38 52.171 41.457 16.410 1.00 0.00 C ATOM 599 O PRO A 38 51.741 41.128 17.514 1.00 0.00 O ATOM 600 CB PRO A 38 50.440 42.121 14.705 1.00 0.00 C ATOM 601 CG PRO A 38 50.505 43.086 13.525 1.00 0.00 C ATOM 602 CD PRO A 38 52.007 43.342 13.452 1.00 0.00 C ATOM 0 HA PRO A 38 51.140 43.262 16.439 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.623 41.093 14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.460 42.139 15.182 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.115 42.645 12.608 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.938 43.999 13.705 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.515 42.553 12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.223 44.281 12.942 1.00 0.00 H new ATOM 610 N ASP A 39 53.234 40.865 15.874 1.00 0.00 N ATOM 611 CA ASP A 39 53.937 39.745 16.465 1.00 0.00 C ATOM 612 C ASP A 39 54.721 40.100 17.730 1.00 0.00 C ATOM 613 O ASP A 39 55.035 39.217 18.527 1.00 0.00 O ATOM 614 CB ASP A 39 54.853 39.133 15.408 1.00 0.00 C ATOM 615 CG ASP A 39 55.935 40.099 14.920 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.605 40.955 14.072 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.090 40.002 15.386 1.00 0.00 O ATOM 0 H ASP A 39 53.638 41.166 14.987 1.00 0.00 H new ATOM 0 HA ASP A 39 53.188 39.023 16.792 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.328 38.242 15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.252 38.810 14.558 1.00 0.00 H new ATOM 622 N GLN A 40 55.006 41.380 17.949 1.00 0.00 N ATOM 623 CA GLN A 40 55.721 41.866 19.112 1.00 0.00 C ATOM 624 C GLN A 40 54.799 42.185 20.289 1.00 0.00 C ATOM 625 O GLN A 40 55.290 42.388 21.397 1.00 0.00 O ATOM 626 CB GLN A 40 56.552 43.089 18.732 1.00 0.00 C ATOM 627 CG GLN A 40 57.648 42.778 17.717 1.00 0.00 C ATOM 628 CD GLN A 40 58.477 44.007 17.335 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.456 45.057 17.975 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.262 43.929 16.265 1.00 0.00 N ATOM 0 H GLN A 40 54.737 42.122 17.303 1.00 0.00 H new ATOM 0 HA GLN A 40 56.378 41.063 19.447 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.893 43.855 18.323 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.006 43.506 19.631 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.309 42.014 18.127 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.195 42.359 16.819 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.296 43.068 15.719 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.831 44.730 15.990 1.00 0.00 H new ATOM 639 N GLN A 41 53.487 42.240 20.073 1.00 0.00 N ATOM 640 CA GLN A 41 52.503 42.713 21.024 1.00 0.00 C ATOM 641 C GLN A 41 51.868 41.572 21.820 1.00 0.00 C ATOM 642 O GLN A 41 51.163 40.746 21.243 1.00 0.00 O ATOM 643 CB GLN A 41 51.406 43.480 20.290 1.00 0.00 C ATOM 644 CG GLN A 41 51.846 44.729 19.531 1.00 0.00 C ATOM 645 CD GLN A 41 50.656 45.421 18.864 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.578 45.549 19.441 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.765 45.887 17.622 1.00 0.00 N ATOM 0 H GLN A 41 53.070 41.942 19.191 1.00 0.00 H new ATOM 0 HA GLN A 41 53.021 43.364 21.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.928 42.801 19.584 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.647 43.771 21.016 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.334 45.421 20.217 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.582 44.457 18.775 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.647 45.795 17.118 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.966 46.336 17.174 1.00 0.00 H new ATOM 656 N ARG A 42 52.024 41.556 23.142 1.00 0.00 N ATOM 657 CA ARG A 42 51.247 40.750 24.062 1.00 0.00 C ATOM 658 C ARG A 42 50.173 41.623 24.713 1.00 0.00 C ATOM 659 O ARG A 42 50.514 42.684 25.230 1.00 0.00 O ATOM 660 CB ARG A 42 52.144 40.130 25.130 1.00 0.00 C ATOM 661 CG ARG A 42 53.304 39.285 24.612 1.00 0.00 C ATOM 662 CD ARG A 42 54.234 38.831 25.734 1.00 0.00 C ATOM 663 NE ARG A 42 53.622 37.824 26.600 1.00 0.00 N ATOM 664 CZ ARG A 42 54.046 37.434 27.810 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.143 37.937 28.392 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.376 36.502 28.501 1.00 0.00 N ATOM 0 H ARG A 42 52.724 42.129 23.613 1.00 0.00 H new ATOM 0 HA ARG A 42 50.772 39.939 23.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.550 40.932 25.747 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.528 39.508 25.780 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.911 38.411 24.093 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.873 39.861 23.882 1.00 0.00 H new ATOM 0 HD2 ARG A 42 55.148 38.425 25.301 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.522 39.694 26.334 1.00 0.00 H new ATOM 0 HE ARG A 42 52.781 37.369 26.244 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.694 38.648 27.912 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.427 37.609 29.315 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.534 36.082 28.107 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.708 36.213 29.421 1.00 0.00 H new ATOM 680 N LEU A 43 48.909 41.207 24.702 1.00 0.00 N ATOM 681 CA LEU A 43 47.804 41.941 25.284 1.00 0.00 C ATOM 682 C LEU A 43 47.179 41.224 26.482 1.00 0.00 C ATOM 683 O LEU A 43 46.990 40.010 26.467 1.00 0.00 O ATOM 684 CB LEU A 43 46.765 42.268 24.216 1.00 0.00 C ATOM 685 CG LEU A 43 47.142 43.410 23.277 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.142 43.492 22.128 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.130 44.767 23.975 1.00 0.00 C ATOM 0 H LEU A 43 48.624 40.326 24.275 1.00 0.00 H new ATOM 0 HA LEU A 43 48.205 42.876 25.675 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.584 41.373 23.621 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.826 42.518 24.709 1.00 0.00 H new ATOM 0 HG LEU A 43 48.150 43.195 22.923 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.419 44.310 21.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.148 42.554 21.572 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.143 43.671 22.527 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.405 45.545 23.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.132 44.967 24.364 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.845 44.759 24.798 1.00 0.00 H new ATOM 699 N ILE A 44 46.865 41.996 27.519 1.00 0.00 N ATOM 700 CA ILE A 44 46.408 41.541 28.817 1.00 0.00 C ATOM 701 C ILE A 44 45.203 42.365 29.271 1.00 0.00 C ATOM 702 O ILE A 44 45.175 43.581 29.098 1.00 0.00 O ATOM 703 CB ILE A 44 47.539 41.577 29.841 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.840 40.918 29.392 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.114 40.908 31.145 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.836 41.879 28.751 1.00 0.00 C ATOM 0 H ILE A 44 46.928 43.013 27.467 1.00 0.00 H new ATOM 0 HA ILE A 44 46.090 40.502 28.731 1.00 0.00 H new ATOM 0 HB ILE A 44 47.738 42.641 29.973 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.311 40.445 30.253 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.607 40.126 28.681 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.937 40.946 31.859 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.251 41.431 31.558 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.850 39.868 30.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.733 41.333 28.460 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.386 42.334 27.869 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.101 42.658 29.466 1.00 0.00 H new ATOM 718 N PHE A 45 44.205 41.728 29.879 1.00 0.00 N ATOM 719 CA PHE A 45 43.015 42.347 30.429 1.00 0.00 C ATOM 720 C PHE A 45 42.809 41.913 31.880 1.00 0.00 C ATOM 721 O PHE A 45 42.547 40.741 32.140 1.00 0.00 O ATOM 722 CB PHE A 45 41.827 41.956 29.554 1.00 0.00 C ATOM 723 CG PHE A 45 40.472 42.527 29.899 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.325 43.756 30.552 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.328 41.827 29.496 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.050 44.269 30.816 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.051 42.343 29.751 1.00 0.00 C ATOM 728 CZ PHE A 45 37.908 43.569 30.412 1.00 0.00 C ATOM 0 H PHE A 45 44.211 40.716 30.004 1.00 0.00 H new ATOM 0 HA PHE A 45 43.119 43.432 30.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.059 42.244 28.529 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.745 40.869 29.569 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.200 44.312 30.854 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.431 40.881 28.984 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.947 45.211 31.335 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.175 41.794 29.437 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.925 43.971 30.608 1.00 0.00 H new ATOM 738 N ALA A 46 42.941 42.826 32.839 1.00 0.00 N ATOM 739 CA ALA A 46 42.851 42.545 34.258 1.00 0.00 C ATOM 740 C ALA A 46 43.705 41.358 34.709 1.00 0.00 C ATOM 741 O ALA A 46 43.261 40.500 35.470 1.00 0.00 O ATOM 742 CB ALA A 46 41.387 42.462 34.679 1.00 0.00 C ATOM 0 H ALA A 46 43.119 43.810 32.637 1.00 0.00 H new ATOM 0 HA ALA A 46 43.297 43.382 34.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.327 42.251 35.747 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.894 43.411 34.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.893 41.665 34.123 1.00 0.00 H new ATOM 748 N GLY A 47 44.930 41.275 34.201 1.00 0.00 N ATOM 749 CA GLY A 47 45.855 40.183 34.431 1.00 0.00 C ATOM 750 C GLY A 47 45.651 38.925 33.583 1.00 0.00 C ATOM 751 O GLY A 47 46.530 38.068 33.598 1.00 0.00 O ATOM 0 H GLY A 47 45.316 41.998 33.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.866 40.551 34.258 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.794 39.900 35.482 1.00 0.00 H new ATOM 755 N LYS A 48 44.566 38.779 32.828 1.00 0.00 N ATOM 756 CA LYS A 48 44.330 37.654 31.947 1.00 0.00 C ATOM 757 C LYS A 48 44.942 37.880 30.562 1.00 0.00 C ATOM 758 O LYS A 48 44.681 38.904 29.936 1.00 0.00 O ATOM 759 CB LYS A 48 42.839 37.361 31.816 1.00 0.00 C ATOM 760 CG LYS A 48 42.135 37.023 33.128 1.00 0.00 C ATOM 761 CD LYS A 48 42.727 35.810 33.839 1.00 0.00 C ATOM 762 CE LYS A 48 41.833 35.304 34.967 1.00 0.00 C ATOM 763 NZ LYS A 48 41.654 36.322 36.013 1.00 0.00 N ATOM 0 H LYS A 48 43.809 39.463 32.816 1.00 0.00 H new ATOM 0 HA LYS A 48 44.819 36.791 32.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.351 38.228 31.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.706 36.530 31.124 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.187 37.886 33.792 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.080 36.838 32.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.884 35.009 33.116 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.705 36.071 34.243 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.861 35.022 34.563 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.270 34.406 35.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.112 35.917 36.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.585 36.635 36.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.138 37.136 35.621 1.00 0.00 H new ATOM 777 N GLN A 49 45.746 36.939 30.076 1.00 0.00 N ATOM 778 CA GLN A 49 46.414 37.052 28.796 1.00 0.00 C ATOM 779 C GLN A 49 45.470 36.707 27.642 1.00 0.00 C ATOM 780 O GLN A 49 44.811 35.670 27.668 1.00 0.00 O ATOM 781 CB GLN A 49 47.678 36.197 28.782 1.00 0.00 C ATOM 782 CG GLN A 49 48.789 36.833 29.614 1.00 0.00 C ATOM 783 CD GLN A 49 49.998 35.906 29.756 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.691 35.596 28.789 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.283 35.404 30.954 1.00 0.00 N ATOM 0 H GLN A 49 45.950 36.070 30.570 1.00 0.00 H new ATOM 0 HA GLN A 49 46.714 38.090 28.651 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.452 35.204 29.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.020 36.066 27.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.101 37.768 29.149 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.405 37.082 30.603 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.713 35.656 31.761 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.072 34.767 31.065 1.00 0.00 H new ATOM 794 N LEU A 50 45.400 37.580 26.641 1.00 0.00 N ATOM 795 CA LEU A 50 44.476 37.476 25.530 1.00 0.00 C ATOM 796 C LEU A 50 45.058 36.681 24.360 1.00 0.00 C ATOM 797 O LEU A 50 46.240 36.774 24.038 1.00 0.00 O ATOM 798 CB LEU A 50 44.006 38.860 25.091 1.00 0.00 C ATOM 799 CG LEU A 50 43.314 39.701 26.161 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.842 41.014 25.544 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.095 39.007 26.762 1.00 0.00 C ATOM 0 H LEU A 50 46.004 38.400 26.584 1.00 0.00 H new ATOM 0 HA LEU A 50 43.609 36.916 25.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.869 39.415 24.722 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.321 38.740 24.252 1.00 0.00 H new ATOM 0 HG LEU A 50 44.044 39.863 26.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.347 41.617 26.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.699 41.560 25.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.142 40.805 24.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.644 39.652 27.516 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.367 38.804 25.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.401 38.068 27.223 1.00 0.00 H new ATOM 813 N GLU A 51 44.196 35.908 23.706 1.00 0.00 N ATOM 814 CA GLU A 51 44.497 35.019 22.603 1.00 0.00 C ATOM 815 C GLU A 51 43.765 35.444 21.328 1.00 0.00 C ATOM 816 O GLU A 51 42.676 36.010 21.378 1.00 0.00 O ATOM 817 CB GLU A 51 44.155 33.596 23.038 1.00 0.00 C ATOM 818 CG GLU A 51 44.779 32.502 22.176 1.00 0.00 C ATOM 819 CD GLU A 51 44.264 31.126 22.603 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.771 30.567 23.600 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.331 30.616 21.947 1.00 0.00 O ATOM 0 H GLU A 51 43.207 35.889 23.953 1.00 0.00 H new ATOM 0 HA GLU A 51 45.557 35.066 22.354 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.479 33.457 24.069 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.072 33.477 23.026 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.541 32.677 21.127 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.865 32.535 22.266 1.00 0.00 H new ATOM 828 N ASP A 52 44.348 35.172 20.163 1.00 0.00 N ATOM 829 CA ASP A 52 43.961 35.766 18.898 1.00 0.00 C ATOM 830 C ASP A 52 42.826 35.056 18.157 1.00 0.00 C ATOM 831 O ASP A 52 42.552 35.380 17.004 1.00 0.00 O ATOM 832 CB ASP A 52 45.194 35.949 18.019 1.00 0.00 C ATOM 833 CG ASP A 52 46.342 36.688 18.710 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.374 37.938 18.709 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.280 36.018 19.194 1.00 0.00 O ATOM 0 H ASP A 52 45.123 34.514 20.077 1.00 0.00 H new ATOM 0 HA ASP A 52 43.531 36.738 19.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.547 34.970 17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.910 36.497 17.121 1.00 0.00 H new ATOM 840 N GLY A 53 42.139 34.107 18.786 1.00 0.00 N ATOM 841 CA GLY A 53 41.032 33.361 18.223 1.00 0.00 C ATOM 842 C GLY A 53 39.640 33.857 18.620 1.00 0.00 C ATOM 843 O GLY A 53 38.669 33.127 18.438 1.00 0.00 O ATOM 0 H GLY A 53 42.353 33.829 19.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.113 33.387 17.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.128 32.318 18.524 1.00 0.00 H new ATOM 847 N ARG A 54 39.526 35.039 19.220 1.00 0.00 N ATOM 848 CA ARG A 54 38.302 35.580 19.776 1.00 0.00 C ATOM 849 C ARG A 54 38.173 37.098 19.632 1.00 0.00 C ATOM 850 O ARG A 54 39.161 37.801 19.432 1.00 0.00 O ATOM 851 CB ARG A 54 38.197 35.177 21.244 1.00 0.00 C ATOM 852 CG ARG A 54 37.885 33.710 21.522 1.00 0.00 C ATOM 853 CD ARG A 54 36.543 33.257 20.953 1.00 0.00 C ATOM 854 NE ARG A 54 36.282 31.850 21.255 1.00 0.00 N ATOM 855 CZ ARG A 54 36.405 30.812 20.416 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.920 30.931 19.186 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.000 29.592 20.793 1.00 0.00 N ATOM 0 H ARG A 54 40.321 35.668 19.334 1.00 0.00 H new ATOM 0 HA ARG A 54 37.479 35.158 19.200 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.138 35.426 21.735 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.423 35.786 21.711 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.677 33.092 21.100 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.889 33.543 22.599 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.744 33.873 21.366 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.535 33.406 19.873 1.00 0.00 H new ATOM 0 HE ARG A 54 35.974 31.636 22.204 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.239 31.841 18.852 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.994 30.112 18.583 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.597 29.452 21.720 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.094 28.803 20.153 1.00 0.00 H new ATOM 871 N THR A 55 36.943 37.585 19.767 1.00 0.00 N ATOM 872 CA THR A 55 36.550 38.976 19.664 1.00 0.00 C ATOM 873 C THR A 55 36.327 39.645 21.022 1.00 0.00 C ATOM 874 O THR A 55 36.167 38.972 22.037 1.00 0.00 O ATOM 875 CB THR A 55 35.313 39.160 18.788 1.00 0.00 C ATOM 876 OG1 THR A 55 34.172 38.552 19.350 1.00 0.00 O ATOM 877 CG2 THR A 55 35.497 38.624 17.371 1.00 0.00 C ATOM 0 H THR A 55 36.149 36.976 19.963 1.00 0.00 H new ATOM 0 HA THR A 55 37.396 39.473 19.189 1.00 0.00 H new ATOM 0 HB THR A 55 35.168 40.239 18.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.361 37.608 19.533 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.583 38.785 16.800 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.323 39.147 16.889 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.717 37.557 17.411 1.00 0.00 H new ATOM 885 N LEU A 56 36.293 40.975 21.051 1.00 0.00 N ATOM 886 CA LEU A 56 36.117 41.764 22.253 1.00 0.00 C ATOM 887 C LEU A 56 34.935 41.317 23.116 1.00 0.00 C ATOM 888 O LEU A 56 35.093 41.175 24.327 1.00 0.00 O ATOM 889 CB LEU A 56 35.978 43.236 21.874 1.00 0.00 C ATOM 890 CG LEU A 56 37.281 44.027 21.967 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.354 43.568 20.985 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.001 45.505 21.708 1.00 0.00 C ATOM 0 H LEU A 56 36.391 41.544 20.210 1.00 0.00 H new ATOM 0 HA LEU A 56 37.004 41.611 22.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.596 43.304 20.855 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.236 43.700 22.524 1.00 0.00 H new ATOM 0 HG LEU A 56 37.664 43.855 22.973 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.249 44.178 21.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.597 42.523 21.174 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.984 43.675 19.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.932 46.069 21.775 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.574 45.625 20.712 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.297 45.878 22.452 1.00 0.00 H new ATOM 904 N SER A 57 33.781 41.051 22.512 1.00 0.00 N ATOM 905 CA SER A 57 32.599 40.576 23.203 1.00 0.00 C ATOM 906 C SER A 57 32.701 39.148 23.742 1.00 0.00 C ATOM 907 O SER A 57 32.066 38.842 24.750 1.00 0.00 O ATOM 908 CB SER A 57 31.363 40.702 22.317 1.00 0.00 C ATOM 909 OG SER A 57 31.594 40.122 21.052 1.00 0.00 O ATOM 0 H SER A 57 33.644 41.164 21.508 1.00 0.00 H new ATOM 0 HA SER A 57 32.510 41.223 24.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.515 40.214 22.797 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.101 41.753 22.198 1.00 0.00 H new ATOM 0 HG SER A 57 32.044 40.771 20.472 1.00 0.00 H new ATOM 915 N ASP A 58 33.531 38.285 23.162 1.00 0.00 N ATOM 916 CA ASP A 58 33.806 36.980 23.729 1.00 0.00 C ATOM 917 C ASP A 58 34.593 37.097 25.037 1.00 0.00 C ATOM 918 O ASP A 58 34.417 36.276 25.933 1.00 0.00 O ATOM 919 CB ASP A 58 34.573 36.108 22.739 1.00 0.00 C ATOM 920 CG ASP A 58 33.908 35.951 21.370 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.702 35.629 21.308 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.603 36.130 20.347 1.00 0.00 O ATOM 0 H ASP A 58 34.026 38.475 22.291 1.00 0.00 H new ATOM 0 HA ASP A 58 32.847 36.510 23.944 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.567 36.532 22.597 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.708 35.119 23.177 1.00 0.00 H new ATOM 927 N TYR A 59 35.404 38.142 25.177 1.00 0.00 N ATOM 928 CA TYR A 59 36.113 38.514 26.384 1.00 0.00 C ATOM 929 C TYR A 59 35.348 39.488 27.282 1.00 0.00 C ATOM 930 O TYR A 59 35.881 39.889 28.314 1.00 0.00 O ATOM 931 CB TYR A 59 37.478 39.086 26.012 1.00 0.00 C ATOM 932 CG TYR A 59 38.437 38.124 25.353 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.965 37.056 26.088 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.840 38.334 24.028 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.906 36.200 25.504 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.781 37.484 23.434 1.00 0.00 C ATOM 937 CZ TYR A 59 40.322 36.416 24.175 1.00 0.00 C ATOM 938 OH TYR A 59 41.254 35.588 23.622 1.00 0.00 O ATOM 0 H TYR A 59 35.590 38.783 24.406 1.00 0.00 H new ATOM 0 HA TYR A 59 36.228 37.605 26.974 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.326 39.933 25.343 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.947 39.474 26.916 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.646 36.892 27.107 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.423 39.154 23.463 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.312 35.375 26.071 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.090 37.647 22.412 1.00 0.00 H new ATOM 0 HH TYR A 59 41.591 35.983 22.791 1.00 0.00 H new ATOM 948 N ASN A 60 34.123 39.877 26.941 1.00 0.00 N ATOM 949 CA ASN A 60 33.335 40.860 27.656 1.00 0.00 C ATOM 950 C ASN A 60 33.985 42.240 27.781 1.00 0.00 C ATOM 951 O ASN A 60 33.797 42.943 28.772 1.00 0.00 O ATOM 952 CB ASN A 60 32.858 40.254 28.973 1.00 0.00 C ATOM 953 CG ASN A 60 31.774 41.081 29.669 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.909 41.689 29.044 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.774 41.121 30.998 1.00 0.00 N ATOM 0 H ASN A 60 33.639 39.498 26.127 1.00 0.00 H new ATOM 0 HA ASN A 60 32.457 41.093 27.053 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.474 39.252 28.784 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.710 40.148 29.645 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.059 41.654 31.492 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.489 40.618 31.523 1.00 0.00 H new ATOM 962 N ILE A 61 34.761 42.676 26.793 1.00 0.00 N ATOM 963 CA ILE A 61 35.314 44.014 26.732 1.00 0.00 C ATOM 964 C ILE A 61 34.219 44.987 26.291 1.00 0.00 C ATOM 965 O ILE A 61 33.451 44.694 25.378 1.00 0.00 O ATOM 966 CB ILE A 61 36.547 44.039 25.833 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.668 43.193 26.429 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.043 45.464 25.606 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.784 42.831 25.453 1.00 0.00 C ATOM 0 H ILE A 61 35.025 42.093 25.999 1.00 0.00 H new ATOM 0 HA ILE A 61 35.655 44.333 27.717 1.00 0.00 H new ATOM 0 HB ILE A 61 36.255 43.619 24.871 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.102 43.731 27.272 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.238 42.273 26.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.922 45.445 24.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.257 46.051 25.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.305 45.915 26.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.535 42.230 25.966 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.369 42.262 24.621 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.246 43.743 25.074 1.00 0.00 H new ATOM 981 N GLN A 62 34.134 46.143 26.943 1.00 0.00 N ATOM 982 CA GLN A 62 33.083 47.131 26.800 1.00 0.00 C ATOM 983 C GLN A 62 33.653 48.550 26.735 1.00 0.00 C ATOM 984 O GLN A 62 34.840 48.752 26.978 1.00 0.00 O ATOM 985 CB GLN A 62 32.100 46.975 27.956 1.00 0.00 C ATOM 986 CG GLN A 62 31.317 45.667 27.894 1.00 0.00 C ATOM 987 CD GLN A 62 30.205 45.561 28.940 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.590 46.537 29.362 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.881 44.357 29.404 1.00 0.00 N ATOM 0 H GLN A 62 34.840 46.426 27.623 1.00 0.00 H new ATOM 0 HA GLN A 62 32.559 46.965 25.859 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.645 47.023 28.899 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.402 47.812 27.949 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.880 45.563 26.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.008 44.834 28.027 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.377 43.531 29.069 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.137 44.260 30.095 1.00 0.00 H new ATOM 998 N LYS A 63 32.831 49.552 26.431 1.00 0.00 N ATOM 999 CA LYS A 63 33.212 50.946 26.334 1.00 0.00 C ATOM 1000 C LYS A 63 34.052 51.460 27.506 1.00 0.00 C ATOM 1001 O LYS A 63 33.732 51.228 28.669 1.00 0.00 O ATOM 1002 CB LYS A 63 31.987 51.836 26.142 1.00 0.00 C ATOM 1003 CG LYS A 63 30.885 51.656 27.183 1.00 0.00 C ATOM 1004 CD LYS A 63 30.173 52.951 27.564 1.00 0.00 C ATOM 1005 CE LYS A 63 31.030 53.784 28.512 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.386 55.065 28.843 1.00 0.00 N ATOM 0 H LYS A 63 31.841 49.401 26.239 1.00 0.00 H new ATOM 0 HA LYS A 63 33.855 51.000 25.455 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.309 52.877 26.153 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.568 51.642 25.155 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.150 50.948 26.800 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.316 51.213 28.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.952 53.527 26.666 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.219 52.720 28.037 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.213 53.221 29.427 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.001 53.972 28.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.997 55.604 29.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.234 55.613 27.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.470 54.885 29.302 1.00 0.00 H new ATOM 1020 N GLU A 64 35.114 52.201 27.200 1.00 0.00 N ATOM 1021 CA GLU A 64 35.997 52.860 28.140 1.00 0.00 C ATOM 1022 C GLU A 64 36.772 51.925 29.071 1.00 0.00 C ATOM 1023 O GLU A 64 37.400 52.384 30.023 1.00 0.00 O ATOM 1024 CB GLU A 64 35.239 54.002 28.812 1.00 0.00 C ATOM 1025 CG GLU A 64 36.108 55.149 29.321 1.00 0.00 C ATOM 1026 CD GLU A 64 35.330 56.464 29.377 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.108 57.080 28.313 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.970 56.934 30.478 1.00 0.00 O ATOM 0 H GLU A 64 35.391 52.363 26.232 1.00 0.00 H new ATOM 0 HA GLU A 64 36.827 53.300 27.587 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.515 54.403 28.103 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.673 53.597 29.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.486 54.907 30.314 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.975 55.266 28.670 1.00 0.00 H new ATOM 1035 N SER A 65 36.792 50.625 28.791 1.00 0.00 N ATOM 1036 CA SER A 65 37.630 49.652 29.461 1.00 0.00 C ATOM 1037 C SER A 65 39.116 49.848 29.155 1.00 0.00 C ATOM 1038 O SER A 65 39.481 50.517 28.191 1.00 0.00 O ATOM 1039 CB SER A 65 37.236 48.221 29.107 1.00 0.00 C ATOM 1040 OG SER A 65 35.862 47.975 29.304 1.00 0.00 O ATOM 0 H SER A 65 36.204 50.213 28.067 1.00 0.00 H new ATOM 0 HA SER A 65 37.470 49.816 30.527 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.491 48.024 28.066 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.817 47.527 29.714 1.00 0.00 H new ATOM 0 HG SER A 65 35.371 48.183 28.482 1.00 0.00 H new ATOM 1046 N THR A 66 39.984 49.240 29.958 1.00 0.00 N ATOM 1047 CA THR A 66 41.427 49.325 29.854 1.00 0.00 C ATOM 1048 C THR A 66 42.054 47.967 29.533 1.00 0.00 C ATOM 1049 O THR A 66 41.792 46.966 30.197 1.00 0.00 O ATOM 1050 CB THR A 66 42.038 49.906 31.125 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.483 51.170 31.412 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.543 50.131 31.017 1.00 0.00 C ATOM 0 H THR A 66 39.681 48.649 30.732 1.00 0.00 H new ATOM 0 HA THR A 66 41.648 49.998 29.026 1.00 0.00 H new ATOM 0 HB THR A 66 41.825 49.171 31.901 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.886 51.526 32.231 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.917 50.546 31.953 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.039 49.181 30.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.749 50.827 30.204 1.00 0.00 H new ATOM 1060 N LEU A 67 42.948 47.932 28.548 1.00 0.00 N ATOM 1061 CA LEU A 67 43.875 46.853 28.273 1.00 0.00 C ATOM 1062 C LEU A 67 45.296 47.259 28.669 1.00 0.00 C ATOM 1063 O LEU A 67 45.642 48.439 28.686 1.00 0.00 O ATOM 1064 CB LEU A 67 43.832 46.491 26.791 1.00 0.00 C ATOM 1065 CG LEU A 67 42.526 45.883 26.284 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.648 45.586 24.792 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.205 44.569 26.992 1.00 0.00 C ATOM 0 H LEU A 67 43.045 48.702 27.887 1.00 0.00 H new ATOM 0 HA LEU A 67 43.582 45.983 28.861 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.038 47.391 26.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.640 45.788 26.586 1.00 0.00 H new ATOM 0 HG LEU A 67 41.732 46.603 26.483 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.716 45.152 24.430 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.851 46.511 24.252 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.464 44.883 24.627 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.269 44.166 26.605 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.008 43.854 26.814 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.108 44.747 28.063 1.00 0.00 H new ATOM 1079 N HIS A 68 46.138 46.259 28.917 1.00 0.00 N ATOM 1080 CA HIS A 68 47.563 46.396 29.134 1.00 0.00 C ATOM 1081 C HIS A 68 48.339 45.736 27.993 1.00 0.00 C ATOM 1082 O HIS A 68 47.935 44.695 27.478 1.00 0.00 O ATOM 1083 CB HIS A 68 47.927 45.814 30.498 1.00 0.00 C ATOM 1084 CG HIS A 68 47.451 46.671 31.638 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.213 46.594 32.274 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.196 47.655 32.234 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.238 47.519 33.236 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.409 48.177 33.242 1.00 0.00 N ATOM 0 H HIS A 68 45.824 45.290 28.973 1.00 0.00 H new ATOM 0 HA HIS A 68 47.840 47.450 29.137 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.494 44.818 30.591 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.009 45.698 30.562 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.197 47.961 31.969 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.424 47.713 33.919 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.671 48.930 33.879 1.00 0.00 H new ATOM 1096 N LEU A 69 49.449 46.352 27.597 1.00 0.00 N ATOM 1097 CA LEU A 69 50.276 45.975 26.469 1.00 0.00 C ATOM 1098 C LEU A 69 51.710 45.729 26.944 1.00 0.00 C ATOM 1099 O LEU A 69 52.277 46.540 27.674 1.00 0.00 O ATOM 1100 CB LEU A 69 50.170 47.087 25.430 1.00 0.00 C ATOM 1101 CG LEU A 69 51.052 46.954 24.192 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.663 45.770 23.311 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.944 48.218 23.345 1.00 0.00 C ATOM 0 H LEU A 69 49.810 47.172 28.085 1.00 0.00 H new ATOM 0 HA LEU A 69 49.943 45.044 26.011 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.132 47.150 25.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.408 48.032 25.918 1.00 0.00 H new ATOM 0 HG LEU A 69 52.068 46.797 24.553 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.325 45.727 22.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.752 44.846 23.883 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.633 45.890 22.974 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.575 48.119 22.462 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.908 48.362 23.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.271 49.077 23.930 1.00 0.00 H new ATOM 1115 N VAL A 70 52.297 44.614 26.523 1.00 0.00 N ATOM 1116 CA VAL A 70 53.655 44.212 26.832 1.00 0.00 C ATOM 1117 C VAL A 70 54.372 43.871 25.523 1.00 0.00 C ATOM 1118 O VAL A 70 53.888 43.052 24.746 1.00 0.00 O ATOM 1119 CB VAL A 70 53.659 43.046 27.816 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.053 42.470 28.041 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.106 43.466 29.175 1.00 0.00 C ATOM 0 H VAL A 70 51.813 43.939 25.931 1.00 0.00 H new ATOM 0 HA VAL A 70 54.190 45.027 27.318 1.00 0.00 H new ATOM 0 HB VAL A 70 53.026 42.283 27.363 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.995 41.644 28.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.455 42.109 27.094 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.707 43.245 28.440 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.122 42.613 29.854 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.720 44.268 29.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.081 43.817 29.058 1.00 0.00 H new ATOM 1131 N LEU A 71 55.502 44.521 25.261 1.00 0.00 N ATOM 1132 CA LEU A 71 56.216 44.417 24.003 1.00 0.00 C ATOM 1133 C LEU A 71 57.463 43.539 24.123 1.00 0.00 C ATOM 1134 O LEU A 71 58.241 43.696 25.062 1.00 0.00 O ATOM 1135 CB LEU A 71 56.582 45.797 23.463 1.00 0.00 C ATOM 1136 CG LEU A 71 55.455 46.769 23.128 1.00 0.00 C ATOM 1137 CD1 LEU A 71 54.282 46.098 22.419 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.933 47.534 24.340 1.00 0.00 C ATOM 0 H LEU A 71 55.951 45.144 25.932 1.00 0.00 H new ATOM 0 HA LEU A 71 55.542 43.936 23.294 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.229 46.279 24.196 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.175 45.653 22.560 1.00 0.00 H new ATOM 0 HG LEU A 71 55.917 47.483 22.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 53.512 46.840 22.207 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.627 45.655 21.484 1.00 0.00 H new ATOM 0 HD13 LEU A 71 53.868 45.318 23.059 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.134 48.207 24.029 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.548 46.829 25.077 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.744 48.114 24.781 1.00 0.00 H new ATOM 1150 N ARG A 72 57.688 42.661 23.151 1.00 0.00 N ATOM 1151 CA ARG A 72 58.901 41.882 23.002 1.00 0.00 C ATOM 1152 C ARG A 72 60.082 42.781 22.627 1.00 0.00 C ATOM 1153 O ARG A 72 60.049 43.422 21.578 1.00 0.00 O ATOM 1154 CB ARG A 72 58.694 40.797 21.949 1.00 0.00 C ATOM 1155 CG ARG A 72 57.707 39.726 22.402 1.00 0.00 C ATOM 1156 CD ARG A 72 57.523 38.625 21.362 1.00 0.00 C ATOM 1157 NE ARG A 72 56.736 37.525 21.920 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.411 37.338 21.865 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.587 38.015 21.053 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.855 36.436 22.687 1.00 0.00 N ATOM 0 H ARG A 72 57.002 42.469 22.421 1.00 0.00 H new ATOM 0 HA ARG A 72 59.132 41.408 23.956 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.333 41.253 21.027 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.652 40.330 21.719 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.057 39.285 23.335 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.743 40.190 22.610 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.024 39.028 20.481 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.496 38.257 21.037 1.00 0.00 H new ATOM 0 HE ARG A 72 57.265 36.807 22.415 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.961 38.725 20.424 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.586 37.820 21.064 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.439 35.909 23.336 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.848 36.277 22.663 1.00 0.00 H new ATOM 1174 N LEU A 73 61.117 42.841 23.460 1.00 0.00 N ATOM 1175 CA LEU A 73 62.221 43.767 23.312 1.00 0.00 C ATOM 1176 C LEU A 73 63.196 43.358 22.206 1.00 0.00 C ATOM 1177 O LEU A 73 63.535 44.186 21.363 1.00 0.00 O ATOM 1178 CB LEU A 73 62.933 43.945 24.650 1.00 0.00 C ATOM 1179 CG LEU A 73 64.063 44.970 24.642 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.563 46.377 24.328 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.742 45.005 26.008 1.00 0.00 C ATOM 0 H LEU A 73 61.208 42.231 24.273 1.00 0.00 H new ATOM 0 HA LEU A 73 61.806 44.726 23.001 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.199 44.240 25.400 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.337 42.982 24.961 1.00 0.00 H new ATOM 0 HG LEU A 73 64.762 44.664 23.863 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.403 47.071 24.334 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.092 46.385 23.345 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.836 46.681 25.081 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.548 45.739 25.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.013 45.280 26.770 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.151 44.021 26.236 1.00 0.00 H new ATOM 1193 N ARG A 74 63.600 42.092 22.163 1.00 0.00 N ATOM 1194 CA ARG A 74 64.446 41.526 21.131 1.00 0.00 C ATOM 1195 C ARG A 74 63.646 41.114 19.894 1.00 0.00 C ATOM 1196 O ARG A 74 63.857 40.049 19.319 1.00 0.00 O ATOM 1197 CB ARG A 74 65.317 40.406 21.691 1.00 0.00 C ATOM 1198 CG ARG A 74 66.322 40.871 22.742 1.00 0.00 C ATOM 1199 CD ARG A 74 67.177 39.695 23.206 1.00 0.00 C ATOM 1200 NE ARG A 74 68.092 40.064 24.286 1.00 0.00 N ATOM 1201 CZ ARG A 74 68.605 39.246 25.215 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.428 37.918 25.193 1.00 0.00 N ATOM 1203 NH2 ARG A 74 69.327 39.757 26.221 1.00 0.00 N ATOM 0 H ARG A 74 63.334 41.411 22.875 1.00 0.00 H new ATOM 0 HA ARG A 74 65.127 42.305 20.787 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.674 39.644 22.130 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.857 39.934 20.870 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.959 41.652 22.327 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.796 41.306 23.592 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.527 38.888 23.544 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.751 39.311 22.362 1.00 0.00 H new ATOM 0 HE ARG A 74 68.368 41.045 24.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 67.882 37.489 24.446 1.00 0.00 H new ATOM 0 HH12 ARG A 74 68.839 37.337 25.923 1.00 0.00 H new ATOM 0 HH21 ARG A 74 69.483 40.763 26.277 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.720 39.140 26.931 1.00 0.00 H new ATOM 1217 N GLY A 75 62.680 41.943 19.507 1.00 0.00 N ATOM 1218 CA GLY A 75 61.696 41.675 18.477 1.00 0.00 C ATOM 1219 C GLY A 75 62.202 41.756 17.035 1.00 0.00 C ATOM 1220 O GLY A 75 61.523 41.243 16.148 1.00 0.00 O ATOM 0 H GLY A 75 62.562 42.864 19.928 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.286 40.679 18.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.874 42.381 18.594 1.00 0.00 H new ATOM 1224 N GLY A 76 63.373 42.338 16.794 1.00 0.00 N ATOM 1225 CA GLY A 76 63.953 42.540 15.482 1.00 0.00 C ATOM 1226 C GLY A 76 65.333 43.197 15.532 1.00 0.00 C ATOM 1227 O GLY A 76 65.405 44.375 15.947 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.326 42.530 15.165 1.00 0.00 O ATOM 0 H GLY A 76 63.965 42.695 17.544 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.033 41.579 14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.283 43.160 14.886 1.00 0.00 H new TER 1232 GLY A 76