USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 55 THR OG1 : rot -41:sc= 2.02 USER MOD Set 1.2: A 57 SER OG : rot -24:sc= 0.856 USER MOD Set 2.1: A 7 THR OG1 : rot 132:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.23 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.204) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 25 ASN : amide:sc= 0.868 K(o=0.87,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0.625 K(o=0.63,f=-0.46) USER MOD Single : A 41 GLN : amide:sc= 1.34 K(o=1.3,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0099) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 151:sc= 0.0249 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 65 SER OG : rot -130:sc= 0.533 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 32.685 52.047 19.649 1.00 0.00 N ATOM 2 CA MET A 1 32.939 52.386 21.059 1.00 0.00 C ATOM 3 C MET A 1 34.425 52.666 21.287 1.00 0.00 C ATOM 4 O MET A 1 35.266 52.119 20.577 1.00 0.00 O ATOM 5 CB MET A 1 32.425 51.322 22.023 1.00 0.00 C ATOM 6 CG MET A 1 33.196 50.005 22.010 1.00 0.00 C ATOM 7 SD MET A 1 32.613 48.791 23.220 1.00 0.00 S ATOM 8 CE MET A 1 33.995 47.624 23.162 1.00 0.00 C ATOM 0 H1 MET A 1 31.662 51.943 19.496 1.00 0.00 H new ATOM 0 H2 MET A 1 33.052 52.805 19.038 1.00 0.00 H new ATOM 0 H3 MET A 1 33.162 51.153 19.416 1.00 0.00 H new ATOM 0 HA MET A 1 32.376 53.294 21.274 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.449 51.729 23.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.381 51.115 21.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.130 49.568 21.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.249 50.212 22.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.806 46.802 23.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.098 47.232 22.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.914 48.134 23.449 1.00 0.00 H new ATOM 20 N GLN A 2 34.769 53.472 22.287 1.00 0.00 N ATOM 21 CA GLN A 2 36.136 53.818 22.624 1.00 0.00 C ATOM 22 C GLN A 2 36.743 52.847 23.638 1.00 0.00 C ATOM 23 O GLN A 2 36.074 52.475 24.600 1.00 0.00 O ATOM 24 CB GLN A 2 36.145 55.261 23.121 1.00 0.00 C ATOM 25 CG GLN A 2 37.549 55.801 23.386 1.00 0.00 C ATOM 26 CD GLN A 2 37.504 57.316 23.591 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.448 57.839 24.701 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.501 58.097 22.512 1.00 0.00 N ATOM 0 H GLN A 2 34.082 53.912 22.899 1.00 0.00 H new ATOM 0 HA GLN A 2 36.768 53.734 21.740 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.653 55.895 22.383 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.560 55.326 24.038 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.971 55.320 24.269 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.203 55.560 22.548 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.547 57.682 21.582 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.453 59.111 22.616 1.00 0.00 H new ATOM 37 N ILE A 3 38.009 52.479 23.467 1.00 0.00 N ATOM 38 CA ILE A 3 38.796 51.738 24.432 1.00 0.00 C ATOM 39 C ILE A 3 40.162 52.389 24.658 1.00 0.00 C ATOM 40 O ILE A 3 40.640 53.157 23.826 1.00 0.00 O ATOM 41 CB ILE A 3 38.957 50.269 24.053 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.727 50.060 22.753 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.603 49.565 24.039 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.228 48.635 22.544 1.00 0.00 C ATOM 0 H ILE A 3 38.530 52.700 22.618 1.00 0.00 H new ATOM 0 HA ILE A 3 38.240 51.770 25.369 1.00 0.00 H new ATOM 0 HB ILE A 3 39.572 49.809 24.826 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.085 50.334 21.916 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.580 50.739 22.736 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.740 48.519 23.766 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.151 49.626 25.029 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.950 50.047 23.312 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.764 48.573 21.597 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.898 48.362 23.359 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.380 47.950 22.526 1.00 0.00 H new ATOM 56 N PHE A 4 40.818 52.024 25.756 1.00 0.00 N ATOM 57 CA PHE A 4 42.144 52.484 26.118 1.00 0.00 C ATOM 58 C PHE A 4 43.148 51.331 26.179 1.00 0.00 C ATOM 59 O PHE A 4 42.817 50.224 26.599 1.00 0.00 O ATOM 60 CB PHE A 4 42.072 53.227 27.448 1.00 0.00 C ATOM 61 CG PHE A 4 41.052 54.339 27.508 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.098 55.395 26.590 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.052 54.319 28.487 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.141 56.416 26.639 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.114 55.356 28.557 1.00 0.00 C ATOM 66 CZ PHE A 4 39.147 56.401 27.625 1.00 0.00 C ATOM 0 H PHE A 4 40.422 51.377 26.438 1.00 0.00 H new ATOM 0 HA PHE A 4 42.501 53.165 25.345 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.849 52.508 28.236 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.055 53.645 27.666 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.875 55.422 25.841 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.004 53.501 29.191 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.170 57.217 25.915 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.362 55.350 29.332 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.411 57.190 27.667 1.00 0.00 H new ATOM 76 N VAL A 5 44.396 51.591 25.800 1.00 0.00 N ATOM 77 CA VAL A 5 45.497 50.650 25.866 1.00 0.00 C ATOM 78 C VAL A 5 46.694 51.334 26.528 1.00 0.00 C ATOM 79 O VAL A 5 47.222 52.298 25.979 1.00 0.00 O ATOM 80 CB VAL A 5 45.862 50.114 24.484 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.953 49.052 24.582 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.676 49.487 23.757 1.00 0.00 C ATOM 0 H VAL A 5 44.673 52.498 25.425 1.00 0.00 H new ATOM 0 HA VAL A 5 45.194 49.790 26.464 1.00 0.00 H new ATOM 0 HB VAL A 5 46.207 50.980 23.919 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.195 48.686 23.584 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.844 49.486 25.035 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.600 48.224 25.197 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.998 49.124 22.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.289 48.654 24.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.893 50.234 23.626 1.00 0.00 H new ATOM 92 N LYS A 6 47.125 50.862 27.695 1.00 0.00 N ATOM 93 CA LYS A 6 48.209 51.439 28.465 1.00 0.00 C ATOM 94 C LYS A 6 49.490 50.611 28.346 1.00 0.00 C ATOM 95 O LYS A 6 49.460 49.388 28.452 1.00 0.00 O ATOM 96 CB LYS A 6 47.749 51.689 29.899 1.00 0.00 C ATOM 97 CG LYS A 6 48.637 52.693 30.626 1.00 0.00 C ATOM 98 CD LYS A 6 48.059 53.133 31.968 1.00 0.00 C ATOM 99 CE LYS A 6 48.933 54.236 32.558 1.00 0.00 C ATOM 100 NZ LYS A 6 48.373 54.822 33.784 1.00 0.00 N ATOM 0 H LYS A 6 46.713 50.042 28.139 1.00 0.00 H new ATOM 0 HA LYS A 6 48.475 52.412 28.051 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.722 52.055 29.890 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.746 50.747 30.447 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.620 52.251 30.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.781 53.569 29.993 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.039 53.493 31.837 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.012 52.286 32.652 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.922 53.831 32.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.066 55.022 31.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.011 55.564 34.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.441 55.236 33.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.270 54.082 34.507 1.00 0.00 H new ATOM 114 N THR A 7 50.622 51.265 28.097 1.00 0.00 N ATOM 115 CA THR A 7 51.905 50.627 27.886 1.00 0.00 C ATOM 116 C THR A 7 52.611 50.276 29.198 1.00 0.00 C ATOM 117 O THR A 7 52.266 50.785 30.262 1.00 0.00 O ATOM 118 CB THR A 7 52.823 51.493 27.030 1.00 0.00 C ATOM 119 OG1 THR A 7 53.177 52.657 27.744 1.00 0.00 O ATOM 120 CG2 THR A 7 52.190 51.913 25.707 1.00 0.00 C ATOM 0 H THR A 7 50.666 52.282 28.036 1.00 0.00 H new ATOM 0 HA THR A 7 51.693 49.697 27.359 1.00 0.00 H new ATOM 0 HB THR A 7 53.698 50.885 26.801 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.146 52.791 27.691 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.894 52.527 25.145 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.938 51.026 25.126 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.284 52.487 25.903 1.00 0.00 H new ATOM 128 N LEU A 8 53.672 49.476 29.126 1.00 0.00 N ATOM 129 CA LEU A 8 54.546 49.199 30.247 1.00 0.00 C ATOM 130 C LEU A 8 55.344 50.425 30.692 1.00 0.00 C ATOM 131 O LEU A 8 55.703 50.530 31.863 1.00 0.00 O ATOM 132 CB LEU A 8 55.430 48.013 29.872 1.00 0.00 C ATOM 133 CG LEU A 8 56.277 47.417 30.993 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.445 46.931 32.176 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.064 46.220 30.469 1.00 0.00 C ATOM 0 H LEU A 8 53.947 48.997 28.269 1.00 0.00 H new ATOM 0 HA LEU A 8 53.949 48.940 31.121 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.793 47.226 29.470 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.097 48.325 29.068 1.00 0.00 H new ATOM 0 HG LEU A 8 56.934 48.218 31.333 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.104 46.518 32.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.884 47.767 32.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.751 46.160 31.841 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.666 45.800 31.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.372 45.463 30.100 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.717 46.541 29.657 1.00 0.00 H new ATOM 147 N THR A 9 55.536 51.389 29.796 1.00 0.00 N ATOM 148 CA THR A 9 56.036 52.728 30.032 1.00 0.00 C ATOM 149 C THR A 9 54.978 53.724 30.511 1.00 0.00 C ATOM 150 O THR A 9 55.279 54.896 30.724 1.00 0.00 O ATOM 151 CB THR A 9 56.720 53.274 28.783 1.00 0.00 C ATOM 152 OG1 THR A 9 55.875 53.139 27.662 1.00 0.00 O ATOM 153 CG2 THR A 9 58.009 52.519 28.465 1.00 0.00 C ATOM 0 H THR A 9 55.327 51.235 28.809 1.00 0.00 H new ATOM 0 HA THR A 9 56.753 52.625 30.847 1.00 0.00 H new ATOM 0 HB THR A 9 56.945 54.321 28.986 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.326 53.495 26.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.465 52.939 27.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.701 52.612 29.302 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.782 51.466 28.297 1.00 0.00 H new ATOM 161 N GLY A 10 53.737 53.286 30.705 1.00 0.00 N ATOM 162 CA GLY A 10 52.685 54.038 31.359 1.00 0.00 C ATOM 163 C GLY A 10 51.929 55.062 30.509 1.00 0.00 C ATOM 164 O GLY A 10 51.074 55.742 31.072 1.00 0.00 O ATOM 0 H GLY A 10 53.431 52.363 30.397 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.960 53.329 31.758 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.122 54.561 32.210 1.00 0.00 H new ATOM 168 N LYS A 11 52.175 55.182 29.208 1.00 0.00 N ATOM 169 CA LYS A 11 51.405 56.049 28.338 1.00 0.00 C ATOM 170 C LYS A 11 50.132 55.357 27.846 1.00 0.00 C ATOM 171 O LYS A 11 50.132 54.137 27.695 1.00 0.00 O ATOM 172 CB LYS A 11 52.250 56.644 27.215 1.00 0.00 C ATOM 173 CG LYS A 11 52.794 55.644 26.198 1.00 0.00 C ATOM 174 CD LYS A 11 53.448 56.361 25.021 1.00 0.00 C ATOM 175 CE LYS A 11 53.857 55.371 23.934 1.00 0.00 C ATOM 176 NZ LYS A 11 54.231 56.056 22.687 1.00 0.00 N ATOM 0 H LYS A 11 52.920 54.675 28.730 1.00 0.00 H new ATOM 0 HA LYS A 11 51.078 56.904 28.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.649 57.383 26.685 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.091 57.176 27.660 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.521 54.990 26.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.984 55.010 25.837 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.756 57.094 24.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.324 56.909 25.366 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.696 54.771 24.285 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.034 54.684 23.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.847 55.532 21.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.843 57.021 22.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.267 56.100 22.612 1.00 0.00 H new ATOM 190 N THR A 12 49.064 56.106 27.587 1.00 0.00 N ATOM 191 CA THR A 12 47.798 55.589 27.107 1.00 0.00 C ATOM 192 C THR A 12 47.596 55.890 25.620 1.00 0.00 C ATOM 193 O THR A 12 47.763 57.026 25.180 1.00 0.00 O ATOM 194 CB THR A 12 46.611 56.097 27.920 1.00 0.00 C ATOM 195 OG1 THR A 12 46.775 55.821 29.293 1.00 0.00 O ATOM 196 CG2 THR A 12 45.295 55.433 27.524 1.00 0.00 C ATOM 0 H THR A 12 49.061 57.118 27.711 1.00 0.00 H new ATOM 0 HA THR A 12 47.842 54.508 27.238 1.00 0.00 H new ATOM 0 HB THR A 12 46.575 57.168 27.718 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.001 56.159 29.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.487 55.834 28.136 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.088 55.633 26.473 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.369 54.357 27.680 1.00 0.00 H new ATOM 204 N ILE A 13 47.191 54.880 24.856 1.00 0.00 N ATOM 205 CA ILE A 13 46.730 54.927 23.483 1.00 0.00 C ATOM 206 C ILE A 13 45.208 54.771 23.501 1.00 0.00 C ATOM 207 O ILE A 13 44.683 53.985 24.286 1.00 0.00 O ATOM 208 CB ILE A 13 47.432 53.844 22.669 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.870 54.197 22.300 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.704 53.502 21.373 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.879 54.286 23.442 1.00 0.00 C ATOM 0 H ILE A 13 47.178 53.927 25.219 1.00 0.00 H new ATOM 0 HA ILE A 13 46.973 55.876 23.004 1.00 0.00 H new ATOM 0 HB ILE A 13 47.426 52.984 23.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.229 53.453 21.589 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.861 55.156 21.781 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.254 52.726 20.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.701 53.143 21.603 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.636 54.392 20.748 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.860 54.544 23.042 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.562 55.053 24.148 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.937 53.325 23.952 1.00 0.00 H new ATOM 223 N THR A 14 44.495 55.479 22.629 1.00 0.00 N ATOM 224 CA THR A 14 43.049 55.460 22.543 1.00 0.00 C ATOM 225 C THR A 14 42.602 54.982 21.161 1.00 0.00 C ATOM 226 O THR A 14 43.159 55.428 20.160 1.00 0.00 O ATOM 227 CB THR A 14 42.471 56.842 22.839 1.00 0.00 C ATOM 228 OG1 THR A 14 42.921 57.308 24.090 1.00 0.00 O ATOM 229 CG2 THR A 14 40.947 56.838 22.925 1.00 0.00 C ATOM 0 H THR A 14 44.927 56.099 21.944 1.00 0.00 H new ATOM 0 HA THR A 14 42.672 54.763 23.292 1.00 0.00 H new ATOM 0 HB THR A 14 42.801 57.475 22.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.543 58.195 24.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.592 57.846 23.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.530 56.498 21.977 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.629 56.166 23.722 1.00 0.00 H new ATOM 237 N LEU A 15 41.623 54.084 21.093 1.00 0.00 N ATOM 238 CA LEU A 15 41.133 53.500 19.861 1.00 0.00 C ATOM 239 C LEU A 15 39.606 53.430 19.808 1.00 0.00 C ATOM 240 O LEU A 15 38.955 53.215 20.828 1.00 0.00 O ATOM 241 CB LEU A 15 41.708 52.096 19.695 1.00 0.00 C ATOM 242 CG LEU A 15 43.222 52.003 19.526 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.643 50.536 19.512 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.688 52.661 18.230 1.00 0.00 C ATOM 0 H LEU A 15 41.139 53.737 21.921 1.00 0.00 H new ATOM 0 HA LEU A 15 41.459 54.148 19.047 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.424 51.504 20.565 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.237 51.634 18.827 1.00 0.00 H new ATOM 0 HG LEU A 15 43.682 52.528 20.363 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.724 50.469 19.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.353 50.065 20.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.153 50.025 18.683 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.771 52.574 18.147 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.218 52.165 17.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.408 53.714 18.236 1.00 0.00 H new ATOM 256 N GLU A 16 39.043 53.534 18.608 1.00 0.00 N ATOM 257 CA GLU A 16 37.633 53.347 18.331 1.00 0.00 C ATOM 258 C GLU A 16 37.396 51.973 17.701 1.00 0.00 C ATOM 259 O GLU A 16 37.856 51.719 16.590 1.00 0.00 O ATOM 260 CB GLU A 16 37.098 54.457 17.432 1.00 0.00 C ATOM 261 CG GLU A 16 37.496 55.892 17.766 1.00 0.00 C ATOM 262 CD GLU A 16 36.932 56.427 19.083 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.698 56.369 19.272 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.701 57.017 19.873 1.00 0.00 O ATOM 0 H GLU A 16 39.583 53.760 17.773 1.00 0.00 H new ATOM 0 HA GLU A 16 37.089 53.395 19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.421 54.248 16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.010 54.400 17.440 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.584 55.953 17.802 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.167 56.543 16.956 1.00 0.00 H new ATOM 271 N VAL A 17 36.675 51.072 18.364 1.00 0.00 N ATOM 272 CA VAL A 17 36.511 49.675 18.017 1.00 0.00 C ATOM 273 C VAL A 17 35.066 49.196 18.167 1.00 0.00 C ATOM 274 O VAL A 17 34.240 49.895 18.751 1.00 0.00 O ATOM 275 CB VAL A 17 37.418 48.795 18.871 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.895 49.133 18.689 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.065 48.871 20.354 1.00 0.00 C ATOM 0 H VAL A 17 36.161 51.320 19.209 1.00 0.00 H new ATOM 0 HA VAL A 17 36.788 49.588 16.966 1.00 0.00 H new ATOM 0 HB VAL A 17 37.248 47.777 18.520 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.498 48.479 19.318 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.175 48.991 17.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.068 50.171 18.973 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.738 48.228 20.922 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.168 49.899 20.700 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.037 48.540 20.501 1.00 0.00 H new ATOM 287 N GLU A 18 34.752 47.984 17.717 1.00 0.00 N ATOM 288 CA GLU A 18 33.543 47.276 18.083 1.00 0.00 C ATOM 289 C GLU A 18 33.834 46.123 19.046 1.00 0.00 C ATOM 290 O GLU A 18 34.941 45.587 19.027 1.00 0.00 O ATOM 291 CB GLU A 18 32.841 46.724 16.845 1.00 0.00 C ATOM 292 CG GLU A 18 32.544 47.745 15.752 1.00 0.00 C ATOM 293 CD GLU A 18 31.843 49.007 16.258 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.842 48.892 16.998 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.256 50.121 15.870 1.00 0.00 O ATOM 0 H GLU A 18 35.348 47.462 17.075 1.00 0.00 H new ATOM 0 HA GLU A 18 32.894 47.995 18.582 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.458 45.932 16.421 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.902 46.265 17.155 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.479 48.029 15.270 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.922 47.276 14.990 1.00 0.00 H new ATOM 302 N PRO A 19 32.874 45.636 19.828 1.00 0.00 N ATOM 303 CA PRO A 19 33.038 44.426 20.607 1.00 0.00 C ATOM 304 C PRO A 19 33.347 43.184 19.770 1.00 0.00 C ATOM 305 O PRO A 19 33.925 42.227 20.280 1.00 0.00 O ATOM 306 CB PRO A 19 31.744 44.245 21.396 1.00 0.00 C ATOM 307 CG PRO A 19 31.101 45.629 21.395 1.00 0.00 C ATOM 308 CD PRO A 19 31.574 46.226 20.073 1.00 0.00 C ATOM 0 HA PRO A 19 33.906 44.535 21.257 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.094 43.505 20.929 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.942 43.900 22.411 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.014 45.569 21.445 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.427 46.226 22.247 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.879 45.994 19.266 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.641 47.312 20.134 1.00 0.00 H new ATOM 316 N SER A 20 32.993 43.204 18.487 1.00 0.00 N ATOM 317 CA SER A 20 33.254 42.182 17.494 1.00 0.00 C ATOM 318 C SER A 20 34.678 42.180 16.936 1.00 0.00 C ATOM 319 O SER A 20 35.031 41.241 16.225 1.00 0.00 O ATOM 320 CB SER A 20 32.274 42.357 16.338 1.00 0.00 C ATOM 321 OG SER A 20 32.480 43.616 15.737 1.00 0.00 O ATOM 0 H SER A 20 32.481 43.993 18.093 1.00 0.00 H new ATOM 0 HA SER A 20 33.127 41.227 18.004 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.415 41.564 15.604 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.249 42.278 16.700 1.00 0.00 H new ATOM 0 HG SER A 20 31.853 43.730 14.993 1.00 0.00 H new ATOM 327 N ASP A 21 35.499 43.191 17.207 1.00 0.00 N ATOM 328 CA ASP A 21 36.867 43.219 16.726 1.00 0.00 C ATOM 329 C ASP A 21 37.710 42.132 17.397 1.00 0.00 C ATOM 330 O ASP A 21 37.696 41.962 18.613 1.00 0.00 O ATOM 331 CB ASP A 21 37.493 44.602 16.875 1.00 0.00 C ATOM 332 CG ASP A 21 37.161 45.479 15.666 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.770 45.262 14.597 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.274 46.358 15.744 1.00 0.00 O ATOM 0 H ASP A 21 35.233 44.005 17.762 1.00 0.00 H new ATOM 0 HA ASP A 21 36.845 43.001 15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.127 45.076 17.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.574 44.508 16.977 1.00 0.00 H new ATOM 339 N THR A 22 38.459 41.392 16.585 1.00 0.00 N ATOM 340 CA THR A 22 39.408 40.387 17.021 1.00 0.00 C ATOM 341 C THR A 22 40.634 41.014 17.689 1.00 0.00 C ATOM 342 O THR A 22 40.975 42.165 17.425 1.00 0.00 O ATOM 343 CB THR A 22 39.878 39.506 15.867 1.00 0.00 C ATOM 344 OG1 THR A 22 40.396 40.312 14.832 1.00 0.00 O ATOM 345 CG2 THR A 22 38.758 38.641 15.295 1.00 0.00 C ATOM 0 H THR A 22 38.416 41.483 15.570 1.00 0.00 H new ATOM 0 HA THR A 22 38.876 39.772 17.747 1.00 0.00 H new ATOM 0 HB THR A 22 40.645 38.844 16.268 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.698 39.742 14.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.148 38.035 14.477 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.367 37.989 16.076 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.958 39.281 14.923 1.00 0.00 H new ATOM 353 N ILE A 23 41.367 40.244 18.487 1.00 0.00 N ATOM 354 CA ILE A 23 42.644 40.696 19.002 1.00 0.00 C ATOM 355 C ILE A 23 43.645 40.929 17.869 1.00 0.00 C ATOM 356 O ILE A 23 44.454 41.848 17.973 1.00 0.00 O ATOM 357 CB ILE A 23 43.155 39.760 20.094 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.150 39.552 21.223 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.494 40.221 20.662 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.620 40.804 21.917 1.00 0.00 C ATOM 0 H ILE A 23 41.095 39.308 18.787 1.00 0.00 H new ATOM 0 HA ILE A 23 42.508 41.666 19.480 1.00 0.00 H new ATOM 0 HB ILE A 23 43.298 38.797 19.604 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.299 39.001 20.822 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.614 38.917 21.978 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.820 39.526 21.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.237 40.251 19.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.383 41.217 21.092 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.916 40.517 22.698 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.450 41.353 22.361 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.115 41.438 21.188 1.00 0.00 H new ATOM 372 N GLU A 24 43.537 40.228 16.744 1.00 0.00 N ATOM 373 CA GLU A 24 44.263 40.552 15.532 1.00 0.00 C ATOM 374 C GLU A 24 43.926 41.948 15.008 1.00 0.00 C ATOM 375 O GLU A 24 44.835 42.721 14.709 1.00 0.00 O ATOM 376 CB GLU A 24 44.019 39.466 14.487 1.00 0.00 C ATOM 377 CG GLU A 24 44.571 39.800 13.104 1.00 0.00 C ATOM 378 CD GLU A 24 44.362 38.643 12.126 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.218 38.434 11.667 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.341 37.962 11.749 1.00 0.00 O ATOM 0 H GLU A 24 42.934 39.410 16.653 1.00 0.00 H new ATOM 0 HA GLU A 24 45.328 40.578 15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.471 38.536 14.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.947 39.289 14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.081 40.695 12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.634 40.027 13.180 1.00 0.00 H new ATOM 387 N ASN A 25 42.651 42.320 14.939 1.00 0.00 N ATOM 388 CA ASN A 25 42.241 43.657 14.561 1.00 0.00 C ATOM 389 C ASN A 25 42.714 44.722 15.552 1.00 0.00 C ATOM 390 O ASN A 25 43.108 45.805 15.128 1.00 0.00 O ATOM 391 CB ASN A 25 40.726 43.719 14.397 1.00 0.00 C ATOM 392 CG ASN A 25 40.195 43.221 13.051 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.908 42.733 12.177 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.890 43.373 12.839 1.00 0.00 N ATOM 0 H ASN A 25 41.873 41.694 15.146 1.00 0.00 H new ATOM 0 HA ASN A 25 42.719 43.879 13.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.266 43.130 15.191 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.403 44.751 14.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.481 43.084 11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.299 43.778 13.565 1.00 0.00 H new ATOM 401 N VAL A 26 42.724 44.439 16.852 1.00 0.00 N ATOM 402 CA VAL A 26 43.191 45.369 17.860 1.00 0.00 C ATOM 403 C VAL A 26 44.707 45.552 17.771 1.00 0.00 C ATOM 404 O VAL A 26 45.168 46.691 17.742 1.00 0.00 O ATOM 405 CB VAL A 26 42.737 44.950 19.256 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.288 45.862 20.347 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.216 44.997 19.366 1.00 0.00 C ATOM 0 H VAL A 26 42.404 43.548 17.232 1.00 0.00 H new ATOM 0 HA VAL A 26 42.738 46.341 17.664 1.00 0.00 H new ATOM 0 HB VAL A 26 43.116 43.938 19.398 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.935 45.520 21.320 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.378 45.836 20.327 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.946 46.883 20.175 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.914 44.695 20.369 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.868 46.012 19.173 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.777 44.318 18.635 1.00 0.00 H new ATOM 417 N LYS A 27 45.474 44.478 17.614 1.00 0.00 N ATOM 418 CA LYS A 27 46.896 44.545 17.338 1.00 0.00 C ATOM 419 C LYS A 27 47.191 45.351 16.071 1.00 0.00 C ATOM 420 O LYS A 27 48.144 46.128 16.069 1.00 0.00 O ATOM 421 CB LYS A 27 47.509 43.153 17.220 1.00 0.00 C ATOM 422 CG LYS A 27 47.707 42.416 18.541 1.00 0.00 C ATOM 423 CD LYS A 27 48.528 41.153 18.297 1.00 0.00 C ATOM 424 CE LYS A 27 48.873 40.408 19.584 1.00 0.00 C ATOM 425 NZ LYS A 27 49.939 39.424 19.341 1.00 0.00 N ATOM 0 H LYS A 27 45.116 43.525 17.677 1.00 0.00 H new ATOM 0 HA LYS A 27 47.353 45.057 18.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.872 42.547 16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.475 43.240 16.723 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.215 43.061 19.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.741 42.157 18.974 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.973 40.487 17.636 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.450 41.420 17.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.192 41.118 20.347 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.986 39.904 19.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.360 39.137 20.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.540 38.590 18.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.673 39.849 18.738 1.00 0.00 H new ATOM 439 N ALA A 28 46.367 45.228 15.035 1.00 0.00 N ATOM 440 CA ALA A 28 46.512 45.987 13.809 1.00 0.00 C ATOM 441 C ALA A 28 46.238 47.482 13.979 1.00 0.00 C ATOM 442 O ALA A 28 46.886 48.286 13.311 1.00 0.00 O ATOM 443 CB ALA A 28 45.628 45.364 12.731 1.00 0.00 C ATOM 0 H ALA A 28 45.572 44.589 15.029 1.00 0.00 H new ATOM 0 HA ALA A 28 47.557 45.931 13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.731 45.929 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.933 44.331 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.588 45.386 13.056 1.00 0.00 H new ATOM 449 N LYS A 29 45.357 47.895 14.886 1.00 0.00 N ATOM 450 CA LYS A 29 45.156 49.289 15.226 1.00 0.00 C ATOM 451 C LYS A 29 46.288 49.854 16.086 1.00 0.00 C ATOM 452 O LYS A 29 46.717 50.986 15.874 1.00 0.00 O ATOM 453 CB LYS A 29 43.813 49.495 15.919 1.00 0.00 C ATOM 454 CG LYS A 29 42.552 49.273 15.089 1.00 0.00 C ATOM 455 CD LYS A 29 42.424 50.154 13.849 1.00 0.00 C ATOM 456 CE LYS A 29 41.008 50.034 13.293 1.00 0.00 C ATOM 457 NZ LYS A 29 40.786 50.848 12.089 1.00 0.00 N ATOM 0 H LYS A 29 44.757 47.257 15.409 1.00 0.00 H new ATOM 0 HA LYS A 29 45.158 49.840 14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.772 48.827 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.786 50.514 16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.521 48.229 14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.683 49.442 15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.642 51.192 14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 43.151 49.850 13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.804 48.989 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.296 50.334 14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.807 50.723 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.951 51.850 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.443 50.547 11.341 1.00 0.00 H new ATOM 471 N ILE A 30 46.826 49.059 17.007 1.00 0.00 N ATOM 472 CA ILE A 30 48.019 49.393 17.760 1.00 0.00 C ATOM 473 C ILE A 30 49.214 49.550 16.818 1.00 0.00 C ATOM 474 O ILE A 30 49.988 50.494 16.961 1.00 0.00 O ATOM 475 CB ILE A 30 48.256 48.369 18.866 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.154 48.435 19.919 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.621 48.558 19.522 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.102 47.228 20.851 1.00 0.00 C ATOM 0 H ILE A 30 46.434 48.150 17.251 1.00 0.00 H new ATOM 0 HA ILE A 30 47.882 50.355 18.254 1.00 0.00 H new ATOM 0 HB ILE A 30 48.236 47.383 18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.293 49.335 20.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.192 48.532 19.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.755 47.811 20.305 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.404 48.443 18.773 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.680 49.555 19.958 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.291 47.356 21.568 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.930 46.324 20.267 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.048 47.140 21.385 1.00 0.00 H new ATOM 490 N GLN A 31 49.342 48.699 15.803 1.00 0.00 N ATOM 491 CA GLN A 31 50.338 48.826 14.759 1.00 0.00 C ATOM 492 C GLN A 31 50.144 50.090 13.918 1.00 0.00 C ATOM 493 O GLN A 31 51.129 50.711 13.522 1.00 0.00 O ATOM 494 CB GLN A 31 50.305 47.565 13.901 1.00 0.00 C ATOM 495 CG GLN A 31 51.465 47.490 12.911 1.00 0.00 C ATOM 496 CD GLN A 31 51.479 46.192 12.101 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.477 45.497 11.949 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.626 45.823 11.540 1.00 0.00 N ATOM 0 H GLN A 31 48.738 47.885 15.687 1.00 0.00 H new ATOM 0 HA GLN A 31 51.321 48.930 15.219 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.330 46.689 14.550 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.363 47.529 13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.407 48.337 12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.405 47.582 13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.461 46.396 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.671 44.967 10.987 1.00 0.00 H new ATOM 507 N ASP A 32 48.913 50.522 13.663 1.00 0.00 N ATOM 508 CA ASP A 32 48.635 51.756 12.955 1.00 0.00 C ATOM 509 C ASP A 32 49.152 52.995 13.689 1.00 0.00 C ATOM 510 O ASP A 32 49.790 53.842 13.069 1.00 0.00 O ATOM 511 CB ASP A 32 47.140 51.865 12.674 1.00 0.00 C ATOM 512 CG ASP A 32 46.843 52.953 11.638 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.750 52.624 10.436 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.690 54.136 12.009 1.00 0.00 O ATOM 0 H ASP A 32 48.074 50.016 13.947 1.00 0.00 H new ATOM 0 HA ASP A 32 49.178 51.720 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.765 50.907 12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.610 52.088 13.600 1.00 0.00 H new ATOM 519 N LYS A 33 48.928 53.098 14.996 1.00 0.00 N ATOM 520 CA LYS A 33 49.340 54.243 15.782 1.00 0.00 C ATOM 521 C LYS A 33 50.786 54.190 16.281 1.00 0.00 C ATOM 522 O LYS A 33 51.475 55.206 16.218 1.00 0.00 O ATOM 523 CB LYS A 33 48.367 54.496 16.930 1.00 0.00 C ATOM 524 CG LYS A 33 47.006 54.957 16.416 1.00 0.00 C ATOM 525 CD LYS A 33 46.152 55.573 17.519 1.00 0.00 C ATOM 526 CE LYS A 33 44.826 56.050 16.932 1.00 0.00 C ATOM 527 NZ LYS A 33 44.026 56.798 17.915 1.00 0.00 N ATOM 0 H LYS A 33 48.450 52.379 15.539 1.00 0.00 H new ATOM 0 HA LYS A 33 49.311 55.089 15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.247 53.584 17.515 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.780 55.251 17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.149 55.687 15.619 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.478 54.109 15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.971 54.840 18.305 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.680 56.409 17.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.020 56.682 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.256 55.191 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.087 57.001 17.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.919 56.230 18.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.505 57.692 18.145 1.00 0.00 H new ATOM 541 N GLU A 34 51.256 53.045 16.766 1.00 0.00 N ATOM 542 CA GLU A 34 52.519 52.900 17.462 1.00 0.00 C ATOM 543 C GLU A 34 53.557 52.071 16.703 1.00 0.00 C ATOM 544 O GLU A 34 54.691 51.946 17.161 1.00 0.00 O ATOM 545 CB GLU A 34 52.272 52.316 18.850 1.00 0.00 C ATOM 546 CG GLU A 34 51.377 53.160 19.753 1.00 0.00 C ATOM 547 CD GLU A 34 51.989 54.518 20.102 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.139 54.553 20.591 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.340 55.564 19.891 1.00 0.00 O ATOM 0 H GLU A 34 50.747 52.166 16.680 1.00 0.00 H new ATOM 0 HA GLU A 34 52.949 53.898 17.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.823 51.329 18.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.233 52.175 19.345 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.417 53.316 19.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.177 52.611 20.673 1.00 0.00 H new ATOM 556 N GLY A 35 53.206 51.494 15.557 1.00 0.00 N ATOM 557 CA GLY A 35 54.136 50.834 14.663 1.00 0.00 C ATOM 558 C GLY A 35 54.642 49.458 15.100 1.00 0.00 C ATOM 559 O GLY A 35 55.496 48.891 14.421 1.00 0.00 O ATOM 0 H GLY A 35 52.243 51.475 15.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.657 50.728 13.690 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.998 51.487 14.525 1.00 0.00 H new ATOM 563 N ILE A 36 54.137 48.899 16.196 1.00 0.00 N ATOM 564 CA ILE A 36 54.624 47.675 16.799 1.00 0.00 C ATOM 565 C ILE A 36 54.139 46.456 16.012 1.00 0.00 C ATOM 566 O ILE A 36 52.928 46.299 15.868 1.00 0.00 O ATOM 567 CB ILE A 36 54.204 47.573 18.262 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.538 48.818 19.079 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.883 46.361 18.894 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.857 48.867 20.444 1.00 0.00 C ATOM 0 H ILE A 36 53.350 49.305 16.702 1.00 0.00 H new ATOM 0 HA ILE A 36 55.713 47.697 16.766 1.00 0.00 H new ATOM 0 HB ILE A 36 53.119 47.471 18.273 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.618 48.868 19.221 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.251 49.702 18.509 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.587 46.282 19.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.583 45.458 18.363 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.965 46.476 18.831 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.145 49.782 20.962 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.775 48.851 20.312 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.163 48.004 21.035 1.00 0.00 H new ATOM 582 N PRO A 37 55.005 45.559 15.551 1.00 0.00 N ATOM 583 CA PRO A 37 54.605 44.348 14.864 1.00 0.00 C ATOM 584 C PRO A 37 53.709 43.431 15.699 1.00 0.00 C ATOM 585 O PRO A 37 53.996 43.259 16.882 1.00 0.00 O ATOM 586 CB PRO A 37 55.900 43.621 14.509 1.00 0.00 C ATOM 587 CG PRO A 37 56.942 44.734 14.452 1.00 0.00 C ATOM 588 CD PRO A 37 56.450 45.675 15.548 1.00 0.00 C ATOM 0 HA PRO A 37 54.008 44.613 13.991 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.156 42.872 15.258 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.818 43.101 13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.948 44.364 14.651 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.969 45.220 13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.866 45.398 16.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.759 46.701 15.350 1.00 0.00 H new ATOM 596 N PRO A 38 52.682 42.787 15.154 1.00 0.00 N ATOM 597 CA PRO A 38 51.759 41.973 15.919 1.00 0.00 C ATOM 598 C PRO A 38 52.395 40.858 16.752 1.00 0.00 C ATOM 599 O PRO A 38 52.028 40.692 17.913 1.00 0.00 O ATOM 600 CB PRO A 38 50.767 41.405 14.907 1.00 0.00 C ATOM 601 CG PRO A 38 50.725 42.490 13.835 1.00 0.00 C ATOM 602 CD PRO A 38 52.176 42.962 13.807 1.00 0.00 C ATOM 0 HA PRO A 38 51.288 42.603 16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.102 40.450 14.503 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.786 41.237 15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.404 42.098 12.870 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.039 43.295 14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.761 42.382 13.093 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.240 44.006 13.499 1.00 0.00 H new ATOM 610 N ASP A 39 53.393 40.146 16.236 1.00 0.00 N ATOM 611 CA ASP A 39 54.066 39.093 16.967 1.00 0.00 C ATOM 612 C ASP A 39 55.092 39.622 17.972 1.00 0.00 C ATOM 613 O ASP A 39 55.568 38.867 18.817 1.00 0.00 O ATOM 614 CB ASP A 39 54.597 38.067 15.970 1.00 0.00 C ATOM 615 CG ASP A 39 55.182 36.793 16.581 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.640 36.226 17.554 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.217 36.312 16.069 1.00 0.00 O ATOM 0 H ASP A 39 53.755 40.289 15.293 1.00 0.00 H new ATOM 0 HA ASP A 39 53.354 38.578 17.612 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.786 37.787 15.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.366 38.543 15.361 1.00 0.00 H new ATOM 622 N GLN A 40 55.353 40.926 17.997 1.00 0.00 N ATOM 623 CA GLN A 40 55.993 41.629 19.090 1.00 0.00 C ATOM 624 C GLN A 40 55.005 42.241 20.085 1.00 0.00 C ATOM 625 O GLN A 40 55.452 42.792 21.088 1.00 0.00 O ATOM 626 CB GLN A 40 56.954 42.703 18.589 1.00 0.00 C ATOM 627 CG GLN A 40 58.158 42.163 17.822 1.00 0.00 C ATOM 628 CD GLN A 40 59.347 43.122 17.906 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.553 44.010 17.082 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.164 43.003 18.949 1.00 0.00 N ATOM 0 H GLN A 40 55.112 41.542 17.221 1.00 0.00 H new ATOM 0 HA GLN A 40 56.558 40.865 19.624 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.407 43.391 17.945 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.311 43.281 19.442 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.443 41.191 18.225 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.887 42.008 16.778 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.005 42.270 19.641 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.950 43.644 19.057 1.00 0.00 H new ATOM 639 N GLN A 41 53.691 42.156 19.892 1.00 0.00 N ATOM 640 CA GLN A 41 52.715 42.627 20.855 1.00 0.00 C ATOM 641 C GLN A 41 52.240 41.493 21.763 1.00 0.00 C ATOM 642 O GLN A 41 51.984 40.390 21.283 1.00 0.00 O ATOM 643 CB GLN A 41 51.522 43.276 20.159 1.00 0.00 C ATOM 644 CG GLN A 41 51.850 44.540 19.370 1.00 0.00 C ATOM 645 CD GLN A 41 50.601 45.149 18.729 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.537 45.215 19.339 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.648 45.603 17.480 1.00 0.00 N ATOM 0 H GLN A 41 53.276 41.753 19.052 1.00 0.00 H new ATOM 0 HA GLN A 41 53.207 43.379 21.472 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.074 42.548 19.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.769 43.518 20.909 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.313 45.272 20.032 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.579 44.306 18.595 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.521 45.559 16.954 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.811 45.996 17.048 1.00 0.00 H new ATOM 656 N ARG A 42 52.054 41.767 23.051 1.00 0.00 N ATOM 657 CA ARG A 42 51.270 40.976 23.978 1.00 0.00 C ATOM 658 C ARG A 42 50.254 41.884 24.676 1.00 0.00 C ATOM 659 O ARG A 42 50.636 42.943 25.167 1.00 0.00 O ATOM 660 CB ARG A 42 52.159 40.284 25.006 1.00 0.00 C ATOM 661 CG ARG A 42 53.236 39.358 24.447 1.00 0.00 C ATOM 662 CD ARG A 42 52.677 38.130 23.733 1.00 0.00 C ATOM 663 NE ARG A 42 53.763 37.286 23.234 1.00 0.00 N ATOM 664 CZ ARG A 42 54.364 37.370 22.039 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.026 38.278 21.111 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.362 36.528 21.738 1.00 0.00 N ATOM 0 H ARG A 42 52.469 42.588 23.492 1.00 0.00 H new ATOM 0 HA ARG A 42 50.747 40.198 23.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.645 41.050 25.610 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.523 39.705 25.676 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.860 39.919 23.752 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.881 39.031 25.262 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.050 37.559 24.418 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.042 38.442 22.904 1.00 0.00 H new ATOM 0 HE ARG A 42 54.098 36.556 23.862 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.280 38.947 21.300 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.516 38.299 20.216 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.661 35.828 22.417 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.823 36.587 20.830 1.00 0.00 H new ATOM 680 N LEU A 43 48.986 41.483 24.702 1.00 0.00 N ATOM 681 CA LEU A 43 47.873 42.287 25.164 1.00 0.00 C ATOM 682 C LEU A 43 47.096 41.575 26.274 1.00 0.00 C ATOM 683 O LEU A 43 46.712 40.419 26.113 1.00 0.00 O ATOM 684 CB LEU A 43 47.009 42.619 23.950 1.00 0.00 C ATOM 685 CG LEU A 43 45.925 43.666 24.187 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.498 45.067 24.386 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.005 43.712 22.971 1.00 0.00 C ATOM 0 H LEU A 43 48.702 40.555 24.389 1.00 0.00 H new ATOM 0 HA LEU A 43 48.226 43.215 25.614 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.658 42.968 23.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.535 41.702 23.601 1.00 0.00 H new ATOM 0 HG LEU A 43 45.393 43.378 25.093 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.684 45.773 24.551 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.161 45.069 25.251 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.059 45.360 23.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.227 44.458 23.132 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.584 43.977 22.086 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.546 42.734 22.825 1.00 0.00 H new ATOM 699 N ILE A 44 46.876 42.271 27.386 1.00 0.00 N ATOM 700 CA ILE A 44 46.302 41.770 28.618 1.00 0.00 C ATOM 701 C ILE A 44 45.014 42.514 28.975 1.00 0.00 C ATOM 702 O ILE A 44 44.954 43.736 28.849 1.00 0.00 O ATOM 703 CB ILE A 44 47.307 41.892 29.760 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.722 41.406 29.463 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.800 41.229 31.037 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.870 39.944 29.054 1.00 0.00 C ATOM 0 H ILE A 44 47.111 43.262 27.448 1.00 0.00 H new ATOM 0 HA ILE A 44 46.057 40.719 28.467 1.00 0.00 H new ATOM 0 HB ILE A 44 47.389 42.970 29.897 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.135 42.026 28.667 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.334 41.575 30.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.545 41.339 31.825 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.870 41.704 31.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.622 40.170 30.851 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.921 39.722 28.871 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.498 39.303 29.853 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.297 39.761 28.145 1.00 0.00 H new ATOM 718 N PHE A 45 44.012 41.812 29.494 1.00 0.00 N ATOM 719 CA PHE A 45 42.883 42.382 30.202 1.00 0.00 C ATOM 720 C PHE A 45 42.393 41.458 31.319 1.00 0.00 C ATOM 721 O PHE A 45 42.432 40.239 31.172 1.00 0.00 O ATOM 722 CB PHE A 45 41.746 42.696 29.234 1.00 0.00 C ATOM 723 CG PHE A 45 40.566 43.392 29.869 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.637 44.757 30.169 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.403 42.675 30.179 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.552 45.409 30.768 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.311 43.327 30.763 1.00 0.00 C ATOM 728 CZ PHE A 45 38.384 44.694 31.055 1.00 0.00 C ATOM 0 H PHE A 45 43.967 40.795 29.428 1.00 0.00 H new ATOM 0 HA PHE A 45 43.219 43.311 30.663 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.132 43.321 28.429 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.404 41.766 28.780 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.534 45.311 29.937 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.349 41.617 29.967 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.617 46.460 31.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.411 42.775 30.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.539 45.197 31.502 1.00 0.00 H new ATOM 738 N ALA A 46 41.928 42.017 32.433 1.00 0.00 N ATOM 739 CA ALA A 46 41.461 41.296 33.600 1.00 0.00 C ATOM 740 C ALA A 46 42.400 40.177 34.060 1.00 0.00 C ATOM 741 O ALA A 46 41.973 39.086 34.428 1.00 0.00 O ATOM 742 CB ALA A 46 40.010 40.872 33.387 1.00 0.00 C ATOM 0 H ALA A 46 41.866 43.029 32.546 1.00 0.00 H new ATOM 0 HA ALA A 46 41.481 41.973 34.454 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.657 40.329 34.264 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.391 41.756 33.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.944 40.227 32.511 1.00 0.00 H new ATOM 748 N GLY A 47 43.703 40.433 33.996 1.00 0.00 N ATOM 749 CA GLY A 47 44.754 39.513 34.382 1.00 0.00 C ATOM 750 C GLY A 47 44.985 38.331 33.438 1.00 0.00 C ATOM 751 O GLY A 47 45.672 37.388 33.826 1.00 0.00 O ATOM 0 H GLY A 47 44.065 41.325 33.659 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.686 40.072 34.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.523 39.122 35.373 1.00 0.00 H new ATOM 755 N LYS A 48 44.446 38.349 32.222 1.00 0.00 N ATOM 756 CA LYS A 48 44.572 37.303 31.227 1.00 0.00 C ATOM 757 C LYS A 48 45.129 37.831 29.904 1.00 0.00 C ATOM 758 O LYS A 48 44.748 38.912 29.460 1.00 0.00 O ATOM 759 CB LYS A 48 43.207 36.650 31.030 1.00 0.00 C ATOM 760 CG LYS A 48 43.297 35.291 30.341 1.00 0.00 C ATOM 761 CD LYS A 48 41.906 34.748 30.027 1.00 0.00 C ATOM 762 CE LYS A 48 41.954 33.341 29.437 1.00 0.00 C ATOM 763 NZ LYS A 48 42.294 32.328 30.449 1.00 0.00 N ATOM 0 H LYS A 48 43.883 39.134 31.894 1.00 0.00 H new ATOM 0 HA LYS A 48 45.288 36.562 31.583 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.723 36.530 31.999 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.575 37.312 30.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.873 35.383 29.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.830 34.588 30.981 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.308 34.737 30.938 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.407 35.417 29.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.987 33.101 28.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.689 33.310 28.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.249 31.381 30.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.256 32.502 30.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.618 32.384 31.237 1.00 0.00 H new ATOM 777 N GLN A 49 45.994 37.056 29.257 1.00 0.00 N ATOM 778 CA GLN A 49 46.476 37.314 27.916 1.00 0.00 C ATOM 779 C GLN A 49 45.393 37.025 26.876 1.00 0.00 C ATOM 780 O GLN A 49 44.759 35.971 26.900 1.00 0.00 O ATOM 781 CB GLN A 49 47.741 36.498 27.666 1.00 0.00 C ATOM 782 CG GLN A 49 48.520 36.939 26.431 1.00 0.00 C ATOM 783 CD GLN A 49 49.433 35.817 25.932 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.983 34.915 25.228 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.715 35.800 26.280 1.00 0.00 N ATOM 0 H GLN A 49 46.386 36.209 29.668 1.00 0.00 H new ATOM 0 HA GLN A 49 46.725 38.371 27.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.389 36.572 28.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.470 35.448 27.558 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.826 37.226 25.642 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.116 37.820 26.668 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.095 36.545 26.864 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.319 35.042 25.963 1.00 0.00 H new ATOM 794 N LEU A 50 45.187 37.954 25.948 1.00 0.00 N ATOM 795 CA LEU A 50 44.157 37.897 24.930 1.00 0.00 C ATOM 796 C LEU A 50 44.694 37.297 23.629 1.00 0.00 C ATOM 797 O LEU A 50 45.883 37.432 23.351 1.00 0.00 O ATOM 798 CB LEU A 50 43.546 39.282 24.739 1.00 0.00 C ATOM 799 CG LEU A 50 43.242 40.081 26.003 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.557 41.388 25.617 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.349 39.339 26.993 1.00 0.00 C ATOM 0 H LEU A 50 45.758 38.797 25.887 1.00 0.00 H new ATOM 0 HA LEU A 50 43.361 37.229 25.259 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.224 39.870 24.121 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.619 39.170 24.177 1.00 0.00 H new ATOM 0 HG LEU A 50 44.197 40.256 26.498 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.337 41.963 26.516 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.215 41.966 24.968 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.628 41.170 25.090 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.175 39.967 27.867 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.396 39.105 26.519 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.837 38.415 27.302 1.00 0.00 H new ATOM 813 N GLU A 51 43.858 36.624 22.843 1.00 0.00 N ATOM 814 CA GLU A 51 44.263 35.750 21.760 1.00 0.00 C ATOM 815 C GLU A 51 43.663 36.102 20.398 1.00 0.00 C ATOM 816 O GLU A 51 42.494 36.466 20.282 1.00 0.00 O ATOM 817 CB GLU A 51 43.958 34.303 22.135 1.00 0.00 C ATOM 818 CG GLU A 51 44.807 33.827 23.310 1.00 0.00 C ATOM 819 CD GLU A 51 44.450 32.401 23.732 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.979 32.206 24.874 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.683 31.456 22.948 1.00 0.00 O ATOM 0 H GLU A 51 42.845 36.678 22.951 1.00 0.00 H new ATOM 0 HA GLU A 51 45.336 35.892 21.634 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.902 34.209 22.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.137 33.660 21.274 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.861 33.871 23.037 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.668 34.501 24.155 1.00 0.00 H new ATOM 828 N ASP A 52 44.456 35.955 19.340 1.00 0.00 N ATOM 829 CA ASP A 52 44.213 36.452 18.001 1.00 0.00 C ATOM 830 C ASP A 52 42.959 35.913 17.309 1.00 0.00 C ATOM 831 O ASP A 52 42.485 36.542 16.366 1.00 0.00 O ATOM 832 CB ASP A 52 45.416 36.152 17.110 1.00 0.00 C ATOM 833 CG ASP A 52 46.698 36.923 17.432 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.173 36.886 18.588 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.320 37.449 16.484 1.00 0.00 O ATOM 0 H ASP A 52 45.341 35.452 19.406 1.00 0.00 H new ATOM 0 HA ASP A 52 44.050 37.521 18.135 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.632 35.085 17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.139 36.362 16.077 1.00 0.00 H new ATOM 840 N GLY A 53 42.420 34.774 17.734 1.00 0.00 N ATOM 841 CA GLY A 53 41.221 34.167 17.193 1.00 0.00 C ATOM 842 C GLY A 53 39.942 34.458 17.981 1.00 0.00 C ATOM 843 O GLY A 53 38.907 33.862 17.692 1.00 0.00 O ATOM 0 H GLY A 53 42.828 34.232 18.496 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.086 34.513 16.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.366 33.088 17.148 1.00 0.00 H new ATOM 847 N ARG A 54 40.005 35.346 18.969 1.00 0.00 N ATOM 848 CA ARG A 54 38.890 35.791 19.781 1.00 0.00 C ATOM 849 C ARG A 54 38.722 37.310 19.728 1.00 0.00 C ATOM 850 O ARG A 54 39.594 38.024 19.236 1.00 0.00 O ATOM 851 CB ARG A 54 39.059 35.266 21.204 1.00 0.00 C ATOM 852 CG ARG A 54 39.039 33.745 21.330 1.00 0.00 C ATOM 853 CD ARG A 54 37.701 33.154 20.895 1.00 0.00 C ATOM 854 NE ARG A 54 37.675 31.694 20.991 1.00 0.00 N ATOM 855 CZ ARG A 54 37.703 30.816 19.979 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.927 31.176 18.708 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.480 29.520 20.233 1.00 0.00 N ATOM 0 H ARG A 54 40.882 35.794 19.234 1.00 0.00 H new ATOM 0 HA ARG A 54 37.965 35.380 19.376 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.002 35.638 21.604 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.265 35.679 21.826 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.838 33.320 20.722 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.241 33.464 22.364 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.906 33.570 21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.493 33.451 19.867 1.00 0.00 H new ATOM 0 HE ARG A 54 37.631 31.302 21.931 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.086 32.156 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.939 30.470 17.972 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.292 29.212 21.187 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.498 28.841 19.472 1.00 0.00 H new ATOM 871 N THR A 55 37.576 37.794 20.196 1.00 0.00 N ATOM 872 CA THR A 55 37.152 39.178 20.127 1.00 0.00 C ATOM 873 C THR A 55 37.116 39.858 21.498 1.00 0.00 C ATOM 874 O THR A 55 37.098 39.187 22.528 1.00 0.00 O ATOM 875 CB THR A 55 35.787 39.332 19.464 1.00 0.00 C ATOM 876 OG1 THR A 55 34.769 38.835 20.304 1.00 0.00 O ATOM 877 CG2 THR A 55 35.679 38.643 18.107 1.00 0.00 C ATOM 0 H THR A 55 36.888 37.198 20.655 1.00 0.00 H new ATOM 0 HA THR A 55 37.906 39.672 19.514 1.00 0.00 H new ATOM 0 HB THR A 55 35.666 40.402 19.297 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.068 38.000 20.721 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.680 38.797 17.699 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.418 39.064 17.425 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.861 37.575 18.226 1.00 0.00 H new ATOM 885 N LEU A 56 37.015 41.184 21.520 1.00 0.00 N ATOM 886 CA LEU A 56 36.821 41.942 22.739 1.00 0.00 C ATOM 887 C LEU A 56 35.607 41.468 23.539 1.00 0.00 C ATOM 888 O LEU A 56 35.679 41.358 24.762 1.00 0.00 O ATOM 889 CB LEU A 56 36.720 43.425 22.388 1.00 0.00 C ATOM 890 CG LEU A 56 37.989 44.033 21.800 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.740 45.501 21.465 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.176 43.973 22.758 1.00 0.00 C ATOM 0 H LEU A 56 37.067 41.762 20.681 1.00 0.00 H new ATOM 0 HA LEU A 56 37.681 41.779 23.388 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.906 43.560 21.676 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.452 43.979 23.288 1.00 0.00 H new ATOM 0 HG LEU A 56 38.232 43.448 20.913 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.646 45.937 21.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.930 45.576 20.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.465 46.040 22.372 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.049 44.420 22.284 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.937 44.522 23.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.391 42.934 23.007 1.00 0.00 H new ATOM 904 N SER A 57 34.516 41.107 22.869 1.00 0.00 N ATOM 905 CA SER A 57 33.326 40.556 23.488 1.00 0.00 C ATOM 906 C SER A 57 33.514 39.174 24.117 1.00 0.00 C ATOM 907 O SER A 57 32.832 38.870 25.094 1.00 0.00 O ATOM 908 CB SER A 57 32.157 40.554 22.507 1.00 0.00 C ATOM 909 OG SER A 57 32.362 39.706 21.400 1.00 0.00 O ATOM 0 H SER A 57 34.439 41.194 21.856 1.00 0.00 H new ATOM 0 HA SER A 57 33.101 41.221 24.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.252 40.245 23.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.988 41.570 22.151 1.00 0.00 H new ATOM 0 HG SER A 57 33.324 39.584 21.255 1.00 0.00 H new ATOM 915 N ASP A 58 34.461 38.355 23.668 1.00 0.00 N ATOM 916 CA ASP A 58 34.785 37.098 24.310 1.00 0.00 C ATOM 917 C ASP A 58 35.446 37.278 25.679 1.00 0.00 C ATOM 918 O ASP A 58 35.452 36.361 26.497 1.00 0.00 O ATOM 919 CB ASP A 58 35.685 36.245 23.420 1.00 0.00 C ATOM 920 CG ASP A 58 34.994 35.786 22.134 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.165 34.853 22.199 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.301 36.341 21.058 1.00 0.00 O ATOM 0 H ASP A 58 35.026 38.552 22.842 1.00 0.00 H new ATOM 0 HA ASP A 58 33.834 36.589 24.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.577 36.815 23.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.016 35.370 23.980 1.00 0.00 H new ATOM 927 N TYR A 59 35.971 38.468 25.956 1.00 0.00 N ATOM 928 CA TYR A 59 36.607 38.842 27.202 1.00 0.00 C ATOM 929 C TYR A 59 35.787 39.830 28.034 1.00 0.00 C ATOM 930 O TYR A 59 36.308 40.371 29.007 1.00 0.00 O ATOM 931 CB TYR A 59 38.022 39.328 26.903 1.00 0.00 C ATOM 932 CG TYR A 59 38.894 38.296 26.228 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.394 37.216 26.965 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.228 38.432 24.875 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.249 36.287 26.361 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.067 37.500 24.254 1.00 0.00 C ATOM 937 CZ TYR A 59 40.593 36.427 25.001 1.00 0.00 C ATOM 938 OH TYR A 59 41.453 35.545 24.415 1.00 0.00 O ATOM 0 H TYR A 59 35.961 39.231 25.279 1.00 0.00 H new ATOM 0 HA TYR A 59 36.667 37.961 27.841 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.965 40.212 26.268 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.495 39.635 27.836 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.119 37.099 28.003 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.835 39.262 24.307 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.645 35.463 26.936 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.310 37.603 23.207 1.00 0.00 H new ATOM 0 HH TYR A 59 41.248 35.474 23.459 1.00 0.00 H new ATOM 948 N ASN A 60 34.522 40.065 27.699 1.00 0.00 N ATOM 949 CA ASN A 60 33.641 41.004 28.362 1.00 0.00 C ATOM 950 C ASN A 60 34.186 42.433 28.425 1.00 0.00 C ATOM 951 O ASN A 60 33.881 43.168 29.360 1.00 0.00 O ATOM 952 CB ASN A 60 33.190 40.454 29.713 1.00 0.00 C ATOM 953 CG ASN A 60 32.363 39.168 29.650 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.672 38.873 28.678 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.363 38.380 30.720 1.00 0.00 N ATOM 0 H ASN A 60 34.069 39.582 26.923 1.00 0.00 H new ATOM 0 HA ASN A 60 32.752 41.104 27.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.073 40.270 30.325 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.604 41.219 30.221 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.791 37.535 30.731 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.935 38.620 31.530 1.00 0.00 H new ATOM 962 N ILE A 61 34.982 42.854 27.446 1.00 0.00 N ATOM 963 CA ILE A 61 35.552 44.185 27.370 1.00 0.00 C ATOM 964 C ILE A 61 34.485 45.190 26.932 1.00 0.00 C ATOM 965 O ILE A 61 33.685 44.916 26.041 1.00 0.00 O ATOM 966 CB ILE A 61 36.796 44.173 26.486 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.896 43.367 27.172 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.300 45.582 26.185 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.092 43.016 26.291 1.00 0.00 C ATOM 0 H ILE A 61 35.253 42.257 26.664 1.00 0.00 H new ATOM 0 HA ILE A 61 35.886 44.511 28.355 1.00 0.00 H new ATOM 0 HB ILE A 61 36.527 43.712 25.536 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.253 43.931 28.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.463 42.442 27.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.186 45.524 25.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.522 46.144 25.668 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.552 46.085 27.118 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.816 42.444 26.871 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.756 42.421 25.442 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.559 43.932 25.930 1.00 0.00 H new ATOM 981 N GLN A 62 34.471 46.358 27.567 1.00 0.00 N ATOM 982 CA GLN A 62 33.452 47.381 27.444 1.00 0.00 C ATOM 983 C GLN A 62 34.009 48.691 26.883 1.00 0.00 C ATOM 984 O GLN A 62 35.215 48.854 26.715 1.00 0.00 O ATOM 985 CB GLN A 62 32.817 47.620 28.812 1.00 0.00 C ATOM 986 CG GLN A 62 32.148 46.384 29.406 1.00 0.00 C ATOM 987 CD GLN A 62 31.299 46.753 30.624 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.784 46.894 31.744 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.998 46.973 30.455 1.00 0.00 N ATOM 0 H GLN A 62 35.212 46.625 28.215 1.00 0.00 H new ATOM 0 HA GLN A 62 32.702 47.028 26.737 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.584 47.973 29.501 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.077 48.415 28.724 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.521 45.907 28.652 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.908 45.658 29.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.577 46.861 29.533 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.421 47.254 31.248 1.00 0.00 H new ATOM 998 N LYS A 63 33.135 49.668 26.657 1.00 0.00 N ATOM 999 CA LYS A 63 33.570 51.023 26.393 1.00 0.00 C ATOM 1000 C LYS A 63 34.310 51.603 27.600 1.00 0.00 C ATOM 1001 O LYS A 63 33.894 51.397 28.739 1.00 0.00 O ATOM 1002 CB LYS A 63 32.421 51.895 25.893 1.00 0.00 C ATOM 1003 CG LYS A 63 31.373 52.305 26.923 1.00 0.00 C ATOM 1004 CD LYS A 63 30.278 53.112 26.231 1.00 0.00 C ATOM 1005 CE LYS A 63 29.188 53.599 27.181 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.689 54.590 28.145 1.00 0.00 N ATOM 0 H LYS A 63 32.123 49.540 26.653 1.00 0.00 H new ATOM 0 HA LYS A 63 34.292 51.005 25.577 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.845 52.801 25.460 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.916 51.363 25.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.946 51.421 27.396 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.834 52.898 27.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.729 53.972 25.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.823 52.499 25.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.374 54.037 26.603 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.773 52.748 27.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.903 54.929 28.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.412 54.151 28.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.107 55.392 27.632 1.00 0.00 H new ATOM 1020 N GLU A 64 35.413 52.303 27.354 1.00 0.00 N ATOM 1021 CA GLU A 64 36.325 52.847 28.339 1.00 0.00 C ATOM 1022 C GLU A 64 37.027 51.830 29.242 1.00 0.00 C ATOM 1023 O GLU A 64 37.659 52.216 30.223 1.00 0.00 O ATOM 1024 CB GLU A 64 35.690 54.011 29.093 1.00 0.00 C ATOM 1025 CG GLU A 64 35.368 55.201 28.192 1.00 0.00 C ATOM 1026 CD GLU A 64 34.744 56.339 29.003 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.441 56.994 29.807 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.532 56.598 28.842 1.00 0.00 O ATOM 0 H GLU A 64 35.707 52.515 26.401 1.00 0.00 H new ATOM 0 HA GLU A 64 37.162 53.242 27.763 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.774 53.668 29.574 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.365 54.335 29.886 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.278 55.551 27.705 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.683 54.891 27.403 1.00 0.00 H new ATOM 1035 N SER A 65 37.012 50.543 28.905 1.00 0.00 N ATOM 1036 CA SER A 65 37.939 49.578 29.460 1.00 0.00 C ATOM 1037 C SER A 65 39.387 49.926 29.111 1.00 0.00 C ATOM 1038 O SER A 65 39.658 50.408 28.013 1.00 0.00 O ATOM 1039 CB SER A 65 37.640 48.176 28.938 1.00 0.00 C ATOM 1040 OG SER A 65 36.399 47.685 29.391 1.00 0.00 O ATOM 0 H SER A 65 36.352 50.145 28.237 1.00 0.00 H new ATOM 0 HA SER A 65 37.813 49.607 30.542 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.646 48.189 27.848 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.433 47.498 29.253 1.00 0.00 H new ATOM 0 HG SER A 65 36.519 46.786 29.763 1.00 0.00 H new ATOM 1046 N THR A 66 40.322 49.623 30.006 1.00 0.00 N ATOM 1047 CA THR A 66 41.744 49.791 29.784 1.00 0.00 C ATOM 1048 C THR A 66 42.446 48.433 29.731 1.00 0.00 C ATOM 1049 O THR A 66 42.416 47.660 30.686 1.00 0.00 O ATOM 1050 CB THR A 66 42.404 50.693 30.823 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.718 51.919 30.945 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.844 51.049 30.465 1.00 0.00 C ATOM 0 H THR A 66 40.101 49.245 30.927 1.00 0.00 H new ATOM 0 HA THR A 66 41.852 50.288 28.820 1.00 0.00 H new ATOM 0 HB THR A 66 42.376 50.121 31.750 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.161 52.476 31.618 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.263 51.692 31.239 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.437 50.137 30.391 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.862 51.573 29.509 1.00 0.00 H new ATOM 1060 N LEU A 67 43.094 48.155 28.602 1.00 0.00 N ATOM 1061 CA LEU A 67 43.917 46.990 28.349 1.00 0.00 C ATOM 1062 C LEU A 67 45.390 47.339 28.568 1.00 0.00 C ATOM 1063 O LEU A 67 45.769 48.502 28.442 1.00 0.00 O ATOM 1064 CB LEU A 67 43.687 46.486 26.927 1.00 0.00 C ATOM 1065 CG LEU A 67 42.293 45.993 26.548 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.240 47.086 26.392 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.386 45.283 25.201 1.00 0.00 C ATOM 0 H LEU A 67 43.052 48.778 27.796 1.00 0.00 H new ATOM 0 HA LEU A 67 43.641 46.196 29.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.952 47.292 26.242 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.388 45.671 26.746 1.00 0.00 H new ATOM 0 HG LEU A 67 41.976 45.352 27.371 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.285 46.635 26.122 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.134 47.626 27.333 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.548 47.779 25.609 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.399 44.922 24.911 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.754 45.979 24.447 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.072 44.439 25.281 1.00 0.00 H new ATOM 1079 N HIS A 68 46.246 46.360 28.849 1.00 0.00 N ATOM 1080 CA HIS A 68 47.667 46.570 29.041 1.00 0.00 C ATOM 1081 C HIS A 68 48.510 45.902 27.954 1.00 0.00 C ATOM 1082 O HIS A 68 48.264 44.756 27.587 1.00 0.00 O ATOM 1083 CB HIS A 68 48.097 46.141 30.441 1.00 0.00 C ATOM 1084 CG HIS A 68 47.422 46.962 31.505 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.218 46.630 32.123 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.824 48.197 31.946 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.905 47.665 32.906 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.851 48.617 32.832 1.00 0.00 N ATOM 0 H HIS A 68 45.961 45.386 28.950 1.00 0.00 H new ATOM 0 HA HIS A 68 47.850 47.641 28.949 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.859 45.088 30.588 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.178 46.240 30.536 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.718 48.731 31.659 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.015 47.729 33.515 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.850 49.500 33.343 1.00 0.00 H new ATOM 1096 N LEU A 69 49.507 46.622 27.446 1.00 0.00 N ATOM 1097 CA LEU A 69 50.334 46.239 26.320 1.00 0.00 C ATOM 1098 C LEU A 69 51.792 46.053 26.743 1.00 0.00 C ATOM 1099 O LEU A 69 52.365 46.914 27.407 1.00 0.00 O ATOM 1100 CB LEU A 69 50.165 47.309 25.245 1.00 0.00 C ATOM 1101 CG LEU A 69 51.030 47.174 23.995 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.724 45.916 23.187 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.788 48.379 23.090 1.00 0.00 C ATOM 0 H LEU A 69 49.767 47.530 27.831 1.00 0.00 H new ATOM 0 HA LEU A 69 50.023 45.274 25.920 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.120 47.317 24.935 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.371 48.279 25.697 1.00 0.00 H new ATOM 0 HG LEU A 69 52.064 47.114 24.334 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.372 45.879 22.312 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.898 45.035 23.805 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.682 45.934 22.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.403 48.290 22.194 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.736 48.416 22.806 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.052 49.293 23.622 1.00 0.00 H new ATOM 1115 N VAL A 70 52.418 44.966 26.301 1.00 0.00 N ATOM 1116 CA VAL A 70 53.837 44.702 26.418 1.00 0.00 C ATOM 1117 C VAL A 70 54.423 44.502 25.018 1.00 0.00 C ATOM 1118 O VAL A 70 53.872 43.756 24.213 1.00 0.00 O ATOM 1119 CB VAL A 70 54.112 43.506 27.326 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.601 43.197 27.451 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.574 43.743 28.735 1.00 0.00 C ATOM 0 H VAL A 70 51.919 44.212 25.829 1.00 0.00 H new ATOM 0 HA VAL A 70 54.324 45.557 26.886 1.00 0.00 H new ATOM 0 HB VAL A 70 53.604 42.663 26.857 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.741 42.338 28.108 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.010 42.971 26.466 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.118 44.061 27.869 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.786 42.873 29.356 1.00 0.00 H new ATOM 0 HG22 VAL A 70 54.055 44.622 29.165 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.497 43.904 28.691 1.00 0.00 H new ATOM 1131 N LEU A 71 55.547 45.160 24.744 1.00 0.00 N ATOM 1132 CA LEU A 71 56.360 44.948 23.564 1.00 0.00 C ATOM 1133 C LEU A 71 57.400 43.868 23.869 1.00 0.00 C ATOM 1134 O LEU A 71 58.183 43.998 24.806 1.00 0.00 O ATOM 1135 CB LEU A 71 56.962 46.275 23.113 1.00 0.00 C ATOM 1136 CG LEU A 71 57.473 46.270 21.675 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.664 47.707 21.195 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.810 45.566 21.459 1.00 0.00 C ATOM 0 H LEU A 71 55.924 45.878 25.363 1.00 0.00 H new ATOM 0 HA LEU A 71 55.762 44.586 22.727 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.210 47.057 23.217 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.785 46.533 23.779 1.00 0.00 H new ATOM 0 HG LEU A 71 56.713 45.719 21.120 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.029 47.702 20.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.711 48.235 21.239 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.388 48.211 21.835 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.083 45.619 20.405 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.579 46.054 22.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.724 44.522 21.759 1.00 0.00 H new ATOM 1150 N ARG A 72 57.377 42.785 23.097 1.00 0.00 N ATOM 1151 CA ARG A 72 58.129 41.568 23.328 1.00 0.00 C ATOM 1152 C ARG A 72 59.416 41.563 22.502 1.00 0.00 C ATOM 1153 O ARG A 72 59.381 41.399 21.285 1.00 0.00 O ATOM 1154 CB ARG A 72 57.198 40.385 23.076 1.00 0.00 C ATOM 1155 CG ARG A 72 57.287 39.291 24.137 1.00 0.00 C ATOM 1156 CD ARG A 72 58.636 38.580 24.207 1.00 0.00 C ATOM 1157 NE ARG A 72 58.976 37.944 22.934 1.00 0.00 N ATOM 1158 CZ ARG A 72 59.907 36.999 22.748 1.00 0.00 C ATOM 1159 NH1 ARG A 72 60.652 36.483 23.736 1.00 0.00 N ATOM 1160 NH2 ARG A 72 60.118 36.531 21.510 1.00 0.00 N ATOM 0 H ARG A 72 56.804 42.736 22.254 1.00 0.00 H new ATOM 0 HA ARG A 72 58.472 41.495 24.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.171 40.747 23.027 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.430 39.953 22.103 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.072 39.730 25.111 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.511 38.551 23.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 59.412 39.297 24.475 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.611 37.827 24.995 1.00 0.00 H new ATOM 0 HE ARG A 72 58.456 38.249 22.111 1.00 0.00 H new ATOM 0 HH11 ARG A 72 60.525 36.809 24.694 1.00 0.00 H new ATOM 0 HH12 ARG A 72 61.346 35.764 23.530 1.00 0.00 H new ATOM 0 HH21 ARG A 72 59.574 36.894 20.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.823 35.811 21.350 1.00 0.00 H new ATOM 1174 N LEU A 73 60.553 41.773 23.160 1.00 0.00 N ATOM 1175 CA LEU A 73 61.872 41.739 22.565 1.00 0.00 C ATOM 1176 C LEU A 73 62.342 40.288 22.425 1.00 0.00 C ATOM 1177 O LEU A 73 62.156 39.484 23.335 1.00 0.00 O ATOM 1178 CB LEU A 73 62.873 42.544 23.387 1.00 0.00 C ATOM 1179 CG LEU A 73 62.777 44.067 23.375 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.781 44.647 21.963 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.566 44.620 24.123 1.00 0.00 C ATOM 0 H LEU A 73 60.574 41.979 24.159 1.00 0.00 H new ATOM 0 HA LEU A 73 61.812 42.195 21.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.789 42.216 24.423 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.873 42.273 23.047 1.00 0.00 H new ATOM 0 HG LEU A 73 63.676 44.383 23.903 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.711 45.733 22.016 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.705 44.367 21.457 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.930 44.255 21.406 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.570 45.709 24.068 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.652 44.237 23.669 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.610 44.309 25.167 1.00 0.00 H new ATOM 1193 N ARG A 74 62.951 39.949 21.292 1.00 0.00 N ATOM 1194 CA ARG A 74 63.206 38.577 20.900 1.00 0.00 C ATOM 1195 C ARG A 74 64.530 38.032 21.440 1.00 0.00 C ATOM 1196 O ARG A 74 64.519 37.041 22.167 1.00 0.00 O ATOM 1197 CB ARG A 74 63.100 38.435 19.385 1.00 0.00 C ATOM 1198 CG ARG A 74 61.714 38.780 18.849 1.00 0.00 C ATOM 1199 CD ARG A 74 61.693 38.612 17.332 1.00 0.00 C ATOM 1200 NE ARG A 74 60.355 38.811 16.778 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.373 37.901 16.713 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.473 36.681 17.258 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.218 38.193 16.098 1.00 0.00 N ATOM 0 H ARG A 74 63.284 40.635 20.614 1.00 0.00 H new ATOM 0 HA ARG A 74 62.435 37.959 21.360 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.838 39.083 18.912 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.348 37.412 19.103 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.965 38.133 19.307 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.455 39.805 19.115 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.383 39.324 16.879 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.048 37.615 17.073 1.00 0.00 H new ATOM 0 HE ARG A 74 60.148 39.736 16.403 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.325 36.410 17.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.697 36.023 17.182 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.083 39.112 15.676 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.474 37.496 16.052 1.00 0.00 H new ATOM 1217 N GLY A 75 65.651 38.680 21.137 1.00 0.00 N ATOM 1218 CA GLY A 75 66.938 38.330 21.703 1.00 0.00 C ATOM 1219 C GLY A 75 67.060 38.724 23.177 1.00 0.00 C ATOM 1220 O GLY A 75 67.661 37.986 23.955 1.00 0.00 O ATOM 0 H GLY A 75 65.686 39.466 20.488 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.094 37.256 21.604 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.727 38.821 21.133 1.00 0.00 H new ATOM 1224 N GLY A 76 66.437 39.836 23.558 1.00 0.00 N ATOM 1225 CA GLY A 76 66.562 40.498 24.840 1.00 0.00 C ATOM 1226 C GLY A 76 67.753 41.458 24.861 1.00 0.00 C ATOM 1227 O GLY A 76 67.690 42.487 24.153 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.753 41.147 25.541 1.00 0.00 O ATOM 0 H GLY A 76 65.793 40.324 22.936 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.646 41.048 25.058 1.00 0.00 H new ATOM 0 HA3 GLY A 76 66.681 39.752 25.626 1.00 0.00 H new TER 1232 GLY A 76