USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.22 (180deg=1.74) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -94:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.0247 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.77) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.039!) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc= -0.683 X(o=-0.68,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 41 GLN : amide:sc= 1.73 K(o=1.7,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00102 X(o=-0.001,f=-0.3) USER MOD Single : A 55 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -7:sc= 1.68 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 62:sc= 1.66 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.058 51.522 20.143 1.00 0.00 N ATOM 2 CA MET A 1 33.306 51.841 21.557 1.00 0.00 C ATOM 3 C MET A 1 34.731 52.376 21.718 1.00 0.00 C ATOM 4 O MET A 1 35.652 51.840 21.106 1.00 0.00 O ATOM 5 CB MET A 1 33.120 50.646 22.488 1.00 0.00 C ATOM 6 CG MET A 1 31.659 50.246 22.681 1.00 0.00 C ATOM 7 SD MET A 1 31.456 49.004 23.982 1.00 0.00 S ATOM 8 CE MET A 1 29.650 48.910 24.058 1.00 0.00 C ATOM 0 H1 MET A 1 32.034 51.438 19.980 1.00 0.00 H new ATOM 0 H2 MET A 1 33.443 52.280 19.544 1.00 0.00 H new ATOM 0 H3 MET A 1 33.521 50.622 19.904 1.00 0.00 H new ATOM 0 HA MET A 1 32.568 52.591 21.841 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.672 49.795 22.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.556 50.881 23.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.072 51.130 22.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.264 49.855 21.743 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.355 48.184 24.816 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.245 49.889 24.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.261 48.600 23.088 1.00 0.00 H new ATOM 20 N GLN A 2 34.935 53.381 22.564 1.00 0.00 N ATOM 21 CA GLN A 2 36.262 53.806 22.964 1.00 0.00 C ATOM 22 C GLN A 2 36.757 53.021 24.180 1.00 0.00 C ATOM 23 O GLN A 2 36.020 52.804 25.139 1.00 0.00 O ATOM 24 CB GLN A 2 36.333 55.314 23.187 1.00 0.00 C ATOM 25 CG GLN A 2 36.244 56.100 21.882 1.00 0.00 C ATOM 26 CD GLN A 2 36.578 57.585 22.026 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.652 58.156 23.112 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.789 58.297 20.922 1.00 0.00 N ATOM 0 H GLN A 2 34.181 53.921 22.989 1.00 0.00 H new ATOM 0 HA GLN A 2 36.938 53.581 22.139 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.522 55.619 23.848 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.266 55.560 23.693 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.923 55.654 21.155 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.236 56.002 21.479 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.734 57.848 20.008 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.006 59.291 20.990 1.00 0.00 H new ATOM 37 N ILE A 3 38.017 52.598 24.121 1.00 0.00 N ATOM 38 CA ILE A 3 38.741 51.945 25.192 1.00 0.00 C ATOM 39 C ILE A 3 40.064 52.666 25.464 1.00 0.00 C ATOM 40 O ILE A 3 40.416 53.608 24.758 1.00 0.00 O ATOM 41 CB ILE A 3 38.945 50.460 24.907 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.817 50.192 23.683 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.606 49.736 24.810 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.382 48.776 23.623 1.00 0.00 C ATOM 0 H ILE A 3 38.583 52.710 23.280 1.00 0.00 H new ATOM 0 HA ILE A 3 38.138 52.007 26.098 1.00 0.00 H new ATOM 0 HB ILE A 3 39.496 50.056 25.756 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.230 50.376 22.784 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.643 50.903 23.675 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.778 48.679 24.606 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.066 49.841 25.751 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.016 50.170 24.003 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.990 48.665 22.725 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.998 48.592 24.503 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.562 48.058 23.598 1.00 0.00 H new ATOM 56 N PHE A 4 40.805 52.219 26.474 1.00 0.00 N ATOM 57 CA PHE A 4 42.123 52.712 26.816 1.00 0.00 C ATOM 58 C PHE A 4 43.185 51.615 26.707 1.00 0.00 C ATOM 59 O PHE A 4 43.002 50.512 27.217 1.00 0.00 O ATOM 60 CB PHE A 4 42.091 53.291 28.228 1.00 0.00 C ATOM 61 CG PHE A 4 41.190 54.487 28.420 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.558 55.739 27.914 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.009 54.358 29.161 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.755 56.859 28.158 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.201 55.476 29.398 1.00 0.00 C ATOM 66 CZ PHE A 4 39.576 56.730 28.902 1.00 0.00 C ATOM 0 H PHE A 4 40.486 51.476 27.096 1.00 0.00 H new ATOM 0 HA PHE A 4 42.396 53.492 26.105 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.776 52.507 28.916 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.106 53.574 28.509 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.463 55.841 27.334 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.721 53.393 29.551 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.045 57.825 27.772 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.287 55.371 29.964 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.958 57.595 29.093 1.00 0.00 H new ATOM 76 N VAL A 5 44.314 51.932 26.079 1.00 0.00 N ATOM 77 CA VAL A 5 45.479 51.075 25.987 1.00 0.00 C ATOM 78 C VAL A 5 46.633 51.708 26.766 1.00 0.00 C ATOM 79 O VAL A 5 47.087 52.804 26.441 1.00 0.00 O ATOM 80 CB VAL A 5 45.857 50.787 24.538 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.067 49.863 24.444 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.706 50.145 23.769 1.00 0.00 C ATOM 0 H VAL A 5 44.441 52.826 25.605 1.00 0.00 H new ATOM 0 HA VAL A 5 45.244 50.109 26.434 1.00 0.00 H new ATOM 0 HB VAL A 5 46.098 51.753 24.094 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.306 49.681 23.396 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.921 50.330 24.935 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.841 48.916 24.934 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.016 49.956 22.741 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.431 49.203 24.244 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.847 50.817 23.771 1.00 0.00 H new ATOM 92 N LYS A 6 47.120 51.014 27.791 1.00 0.00 N ATOM 93 CA LYS A 6 48.275 51.393 28.579 1.00 0.00 C ATOM 94 C LYS A 6 49.539 50.891 27.876 1.00 0.00 C ATOM 95 O LYS A 6 49.766 49.686 27.791 1.00 0.00 O ATOM 96 CB LYS A 6 48.054 50.870 29.994 1.00 0.00 C ATOM 97 CG LYS A 6 49.000 51.389 31.073 1.00 0.00 C ATOM 98 CD LYS A 6 50.387 50.755 31.032 1.00 0.00 C ATOM 99 CE LYS A 6 51.135 51.004 32.339 1.00 0.00 C ATOM 100 NZ LYS A 6 52.380 50.223 32.412 1.00 0.00 N ATOM 0 H LYS A 6 46.700 50.138 28.103 1.00 0.00 H new ATOM 0 HA LYS A 6 48.410 52.471 28.666 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.034 51.113 30.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.129 49.783 29.970 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.101 52.469 30.966 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.556 51.206 32.051 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.297 49.683 30.858 1.00 0.00 H new ATOM 0 HD3 LYS A 6 50.956 51.167 30.198 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.366 52.065 32.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.493 50.744 33.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 52.860 50.418 33.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 52.158 49.209 32.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 53.003 50.489 31.623 1.00 0.00 H new ATOM 114 N THR A 7 50.306 51.807 27.295 1.00 0.00 N ATOM 115 CA THR A 7 51.452 51.536 26.450 1.00 0.00 C ATOM 116 C THR A 7 52.654 50.989 27.222 1.00 0.00 C ATOM 117 O THR A 7 52.693 51.064 28.448 1.00 0.00 O ATOM 118 CB THR A 7 51.879 52.780 25.675 1.00 0.00 C ATOM 119 OG1 THR A 7 52.370 53.765 26.556 1.00 0.00 O ATOM 120 CG2 THR A 7 50.762 53.387 24.831 1.00 0.00 C ATOM 0 H THR A 7 50.133 52.806 27.409 1.00 0.00 H new ATOM 0 HA THR A 7 51.123 50.764 25.755 1.00 0.00 H new ATOM 0 HB THR A 7 52.661 52.448 24.992 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.646 54.380 26.795 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.138 54.267 24.309 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.416 52.653 24.103 1.00 0.00 H new ATOM 0 HG23 THR A 7 49.933 53.675 25.477 1.00 0.00 H new ATOM 128 N LEU A 8 53.686 50.495 26.544 1.00 0.00 N ATOM 129 CA LEU A 8 54.962 50.198 27.163 1.00 0.00 C ATOM 130 C LEU A 8 55.590 51.429 27.819 1.00 0.00 C ATOM 131 O LEU A 8 56.229 51.324 28.864 1.00 0.00 O ATOM 132 CB LEU A 8 55.921 49.627 26.122 1.00 0.00 C ATOM 133 CG LEU A 8 55.608 48.213 25.640 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.578 47.821 24.529 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.762 47.171 26.744 1.00 0.00 C ATOM 0 H LEU A 8 53.655 50.291 25.545 1.00 0.00 H new ATOM 0 HA LEU A 8 54.779 49.464 27.948 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.929 50.292 25.259 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.928 49.634 26.539 1.00 0.00 H new ATOM 0 HG LEU A 8 54.573 48.228 25.298 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.351 46.811 24.188 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.477 48.517 23.696 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.599 47.855 24.909 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.527 46.183 26.347 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.788 47.180 27.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.081 47.404 27.562 1.00 0.00 H new ATOM 147 N THR A 9 55.336 52.612 27.268 1.00 0.00 N ATOM 148 CA THR A 9 55.729 53.914 27.767 1.00 0.00 C ATOM 149 C THR A 9 54.962 54.344 29.018 1.00 0.00 C ATOM 150 O THR A 9 55.188 55.435 29.539 1.00 0.00 O ATOM 151 CB THR A 9 55.588 54.942 26.647 1.00 0.00 C ATOM 152 OG1 THR A 9 56.031 54.394 25.426 1.00 0.00 O ATOM 153 CG2 THR A 9 56.411 56.216 26.820 1.00 0.00 C ATOM 0 H THR A 9 54.811 52.684 26.397 1.00 0.00 H new ATOM 0 HA THR A 9 56.771 53.847 28.080 1.00 0.00 H new ATOM 0 HB THR A 9 54.528 55.197 26.669 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.935 55.061 24.714 1.00 0.00 H new ATOM 0 HG21 THR A 9 56.239 56.878 25.972 1.00 0.00 H new ATOM 0 HG22 THR A 9 56.113 56.720 27.740 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.469 55.961 26.873 1.00 0.00 H new ATOM 161 N GLY A 10 54.028 53.544 29.525 1.00 0.00 N ATOM 162 CA GLY A 10 53.236 53.798 30.711 1.00 0.00 C ATOM 163 C GLY A 10 52.080 54.777 30.491 1.00 0.00 C ATOM 164 O GLY A 10 51.001 54.596 31.052 1.00 0.00 O ATOM 0 H GLY A 10 53.795 52.652 29.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.834 52.853 31.076 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.887 54.190 31.493 1.00 0.00 H new ATOM 168 N LYS A 11 52.281 55.758 29.616 1.00 0.00 N ATOM 169 CA LYS A 11 51.281 56.663 29.086 1.00 0.00 C ATOM 170 C LYS A 11 50.114 55.881 28.480 1.00 0.00 C ATOM 171 O LYS A 11 50.322 54.848 27.849 1.00 0.00 O ATOM 172 CB LYS A 11 51.983 57.582 28.091 1.00 0.00 C ATOM 173 CG LYS A 11 51.126 58.700 27.504 1.00 0.00 C ATOM 174 CD LYS A 11 51.977 59.703 26.733 1.00 0.00 C ATOM 175 CE LYS A 11 51.109 60.760 26.055 1.00 0.00 C ATOM 176 NZ LYS A 11 51.923 61.863 25.520 1.00 0.00 N ATOM 0 H LYS A 11 53.209 55.949 29.237 1.00 0.00 H new ATOM 0 HA LYS A 11 50.836 57.276 29.870 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.845 58.031 28.585 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.366 56.974 27.271 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.372 58.274 26.842 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.593 59.212 28.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.679 60.187 27.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.570 59.180 25.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.540 60.301 25.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.387 61.153 26.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.303 62.564 25.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.447 62.316 26.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.595 61.490 24.819 1.00 0.00 H new ATOM 190 N THR A 12 48.887 56.363 28.653 1.00 0.00 N ATOM 191 CA THR A 12 47.681 55.703 28.194 1.00 0.00 C ATOM 192 C THR A 12 47.107 56.411 26.966 1.00 0.00 C ATOM 193 O THR A 12 47.038 57.638 26.947 1.00 0.00 O ATOM 194 CB THR A 12 46.658 55.614 29.323 1.00 0.00 C ATOM 195 OG1 THR A 12 47.177 54.802 30.353 1.00 0.00 O ATOM 196 CG2 THR A 12 45.349 54.947 28.910 1.00 0.00 C ATOM 0 H THR A 12 48.705 57.246 29.129 1.00 0.00 H new ATOM 0 HA THR A 12 47.934 54.686 27.894 1.00 0.00 H new ATOM 0 HB THR A 12 46.463 56.643 29.625 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.525 54.742 31.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.670 54.919 29.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.891 55.515 28.100 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.550 53.930 28.572 1.00 0.00 H new ATOM 204 N ILE A 13 46.659 55.661 25.962 1.00 0.00 N ATOM 205 CA ILE A 13 46.092 56.161 24.726 1.00 0.00 C ATOM 206 C ILE A 13 44.654 55.680 24.526 1.00 0.00 C ATOM 207 O ILE A 13 44.298 54.590 24.969 1.00 0.00 O ATOM 208 CB ILE A 13 46.989 55.833 23.535 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.151 54.336 23.286 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.339 56.528 23.690 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.981 53.982 22.057 1.00 0.00 C ATOM 0 H ILE A 13 46.686 54.642 25.996 1.00 0.00 H new ATOM 0 HA ILE A 13 46.044 57.248 24.798 1.00 0.00 H new ATOM 0 HB ILE A 13 46.490 56.218 22.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.614 53.883 24.163 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.162 53.890 23.181 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.972 56.288 22.836 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.189 57.607 23.739 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.821 56.186 24.606 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.042 52.898 21.959 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.510 54.400 21.167 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.984 54.394 22.165 1.00 0.00 H new ATOM 223 N THR A 14 43.821 56.480 23.865 1.00 0.00 N ATOM 224 CA THR A 14 42.440 56.171 23.556 1.00 0.00 C ATOM 225 C THR A 14 42.335 55.512 22.180 1.00 0.00 C ATOM 226 O THR A 14 42.895 56.024 21.212 1.00 0.00 O ATOM 227 CB THR A 14 41.567 57.420 23.629 1.00 0.00 C ATOM 228 OG1 THR A 14 41.529 57.882 24.960 1.00 0.00 O ATOM 229 CG2 THR A 14 40.117 57.192 23.215 1.00 0.00 C ATOM 0 H THR A 14 44.107 57.396 23.519 1.00 0.00 H new ATOM 0 HA THR A 14 42.074 55.467 24.304 1.00 0.00 H new ATOM 0 HB THR A 14 42.017 58.130 22.936 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.200 57.168 25.545 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.564 58.128 23.295 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.084 56.838 22.185 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.665 56.447 23.869 1.00 0.00 H new ATOM 237 N LEU A 15 41.614 54.399 22.082 1.00 0.00 N ATOM 238 CA LEU A 15 41.460 53.612 20.876 1.00 0.00 C ATOM 239 C LEU A 15 39.991 53.274 20.610 1.00 0.00 C ATOM 240 O LEU A 15 39.268 52.903 21.532 1.00 0.00 O ATOM 241 CB LEU A 15 42.317 52.358 21.019 1.00 0.00 C ATOM 242 CG LEU A 15 42.556 51.585 19.726 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.556 52.291 18.815 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.130 50.205 20.037 1.00 0.00 C ATOM 0 H LEU A 15 41.103 54.011 22.875 1.00 0.00 H new ATOM 0 HA LEU A 15 41.795 54.185 20.012 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.282 52.643 21.437 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.841 51.692 21.739 1.00 0.00 H new ATOM 0 HG LEU A 15 41.591 51.513 19.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.696 51.706 17.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.177 53.279 18.555 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.510 52.393 19.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.297 49.662 19.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.076 50.315 20.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.428 49.651 20.660 1.00 0.00 H new ATOM 256 N GLU A 16 39.551 53.369 19.358 1.00 0.00 N ATOM 257 CA GLU A 16 38.236 52.954 18.912 1.00 0.00 C ATOM 258 C GLU A 16 38.240 51.483 18.494 1.00 0.00 C ATOM 259 O GLU A 16 39.073 51.080 17.685 1.00 0.00 O ATOM 260 CB GLU A 16 37.802 53.865 17.767 1.00 0.00 C ATOM 261 CG GLU A 16 36.479 53.498 17.100 1.00 0.00 C ATOM 262 CD GLU A 16 35.245 53.737 17.972 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.049 54.860 18.485 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.371 52.849 18.061 1.00 0.00 O ATOM 0 H GLU A 16 40.124 53.751 18.605 1.00 0.00 H new ATOM 0 HA GLU A 16 37.521 53.044 19.730 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.727 54.884 18.145 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.584 53.863 17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.377 54.075 16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.509 52.446 16.814 1.00 0.00 H new ATOM 271 N VAL A 17 37.303 50.695 19.013 1.00 0.00 N ATOM 272 CA VAL A 17 37.129 49.282 18.738 1.00 0.00 C ATOM 273 C VAL A 17 35.654 48.880 18.702 1.00 0.00 C ATOM 274 O VAL A 17 34.812 49.510 19.338 1.00 0.00 O ATOM 275 CB VAL A 17 37.858 48.415 19.761 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.369 48.628 19.760 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.336 48.616 21.182 1.00 0.00 C ATOM 0 H VAL A 17 36.610 51.049 19.672 1.00 0.00 H new ATOM 0 HA VAL A 17 37.562 49.113 17.752 1.00 0.00 H new ATOM 0 HB VAL A 17 37.650 47.393 19.445 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.828 47.983 20.509 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.770 48.384 18.776 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.590 49.669 19.994 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.890 47.975 21.867 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.467 49.658 21.474 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.277 48.359 21.221 1.00 0.00 H new ATOM 287 N GLU A 18 35.332 47.782 18.023 1.00 0.00 N ATOM 288 CA GLU A 18 34.059 47.101 18.150 1.00 0.00 C ATOM 289 C GLU A 18 34.196 45.861 19.034 1.00 0.00 C ATOM 290 O GLU A 18 35.127 45.089 18.816 1.00 0.00 O ATOM 291 CB GLU A 18 33.520 46.656 16.793 1.00 0.00 C ATOM 292 CG GLU A 18 33.207 47.780 15.810 1.00 0.00 C ATOM 293 CD GLU A 18 32.764 47.184 14.472 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.552 46.952 14.271 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.637 46.920 13.619 1.00 0.00 O ATOM 0 H GLU A 18 35.965 47.337 17.358 1.00 0.00 H new ATOM 0 HA GLU A 18 33.367 47.813 18.599 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.248 45.988 16.334 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.612 46.075 16.955 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.422 48.420 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.087 48.407 15.667 1.00 0.00 H new ATOM 302 N PRO A 19 33.272 45.578 19.948 1.00 0.00 N ATOM 303 CA PRO A 19 33.250 44.331 20.688 1.00 0.00 C ATOM 304 C PRO A 19 33.266 43.074 19.817 1.00 0.00 C ATOM 305 O PRO A 19 33.839 42.061 20.215 1.00 0.00 O ATOM 306 CB PRO A 19 31.996 44.383 21.556 1.00 0.00 C ATOM 307 CG PRO A 19 31.827 45.879 21.806 1.00 0.00 C ATOM 308 CD PRO A 19 32.271 46.482 20.477 1.00 0.00 C ATOM 0 HA PRO A 19 34.165 44.248 21.275 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.132 43.957 21.046 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.123 43.828 22.486 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.796 46.137 22.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 32.443 46.225 22.636 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.430 46.578 19.791 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.683 47.481 20.619 1.00 0.00 H new ATOM 316 N SER A 20 32.678 43.111 18.625 1.00 0.00 N ATOM 317 CA SER A 20 32.649 41.995 17.701 1.00 0.00 C ATOM 318 C SER A 20 33.870 41.874 16.789 1.00 0.00 C ATOM 319 O SER A 20 33.909 40.940 15.993 1.00 0.00 O ATOM 320 CB SER A 20 31.373 42.015 16.864 1.00 0.00 C ATOM 321 OG SER A 20 30.231 42.104 17.687 1.00 0.00 O ATOM 0 H SER A 20 32.199 43.939 18.272 1.00 0.00 H new ATOM 0 HA SER A 20 32.671 41.111 18.338 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.398 42.861 16.177 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.318 41.112 16.256 1.00 0.00 H new ATOM 0 HG SER A 20 29.426 42.117 17.129 1.00 0.00 H new ATOM 327 N ASP A 21 34.852 42.769 16.867 1.00 0.00 N ATOM 328 CA ASP A 21 36.064 42.682 16.077 1.00 0.00 C ATOM 329 C ASP A 21 37.098 41.751 16.714 1.00 0.00 C ATOM 330 O ASP A 21 37.072 41.498 17.916 1.00 0.00 O ATOM 331 CB ASP A 21 36.624 44.076 15.809 1.00 0.00 C ATOM 332 CG ASP A 21 37.612 44.148 14.643 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.657 43.218 13.810 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.276 45.197 14.494 1.00 0.00 O ATOM 0 H ASP A 21 34.823 43.579 17.487 1.00 0.00 H new ATOM 0 HA ASP A 21 35.811 42.235 15.115 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.795 44.755 15.609 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.119 44.435 16.711 1.00 0.00 H new ATOM 339 N THR A 22 38.005 41.213 15.902 1.00 0.00 N ATOM 340 CA THR A 22 38.982 40.221 16.300 1.00 0.00 C ATOM 341 C THR A 22 40.281 40.838 16.825 1.00 0.00 C ATOM 342 O THR A 22 40.698 41.918 16.413 1.00 0.00 O ATOM 343 CB THR A 22 39.266 39.206 15.196 1.00 0.00 C ATOM 344 OG1 THR A 22 39.537 39.815 13.954 1.00 0.00 O ATOM 345 CG2 THR A 22 38.078 38.269 14.993 1.00 0.00 C ATOM 0 H THR A 22 38.077 41.469 14.917 1.00 0.00 H new ATOM 0 HA THR A 22 38.525 39.684 17.131 1.00 0.00 H new ATOM 0 HB THR A 22 40.146 38.655 15.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.713 39.124 13.282 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.308 37.556 14.201 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.877 37.730 15.919 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.199 38.851 14.714 1.00 0.00 H new ATOM 353 N ILE A 23 40.958 40.127 17.722 1.00 0.00 N ATOM 354 CA ILE A 23 42.184 40.588 18.342 1.00 0.00 C ATOM 355 C ILE A 23 43.284 40.855 17.312 1.00 0.00 C ATOM 356 O ILE A 23 44.027 41.817 17.488 1.00 0.00 O ATOM 357 CB ILE A 23 42.614 39.622 19.442 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.648 39.605 20.623 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.034 39.868 19.943 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.640 40.842 21.517 1.00 0.00 C ATOM 0 H ILE A 23 40.662 39.204 18.039 1.00 0.00 H new ATOM 0 HA ILE A 23 41.992 41.552 18.813 1.00 0.00 H new ATOM 0 HB ILE A 23 42.594 38.642 18.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.640 39.458 20.236 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.882 38.739 21.242 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.275 39.146 20.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.736 39.756 19.117 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.107 40.878 20.347 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.913 40.707 22.318 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.631 40.987 21.947 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.370 41.717 20.925 1.00 0.00 H new ATOM 372 N GLU A 24 43.376 40.111 16.212 1.00 0.00 N ATOM 373 CA GLU A 24 44.337 40.430 15.176 1.00 0.00 C ATOM 374 C GLU A 24 44.088 41.768 14.476 1.00 0.00 C ATOM 375 O GLU A 24 45.044 42.475 14.164 1.00 0.00 O ATOM 376 CB GLU A 24 44.473 39.306 14.153 1.00 0.00 C ATOM 377 CG GLU A 24 43.282 39.094 13.222 1.00 0.00 C ATOM 378 CD GLU A 24 43.621 38.115 12.097 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.657 38.292 11.419 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.846 37.160 11.876 1.00 0.00 O ATOM 0 H GLU A 24 42.799 39.291 16.022 1.00 0.00 H new ATOM 0 HA GLU A 24 45.284 40.536 15.706 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.354 39.503 13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.659 38.375 14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.435 38.715 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.977 40.050 12.795 1.00 0.00 H new ATOM 387 N ASN A 25 42.832 42.158 14.278 1.00 0.00 N ATOM 388 CA ASN A 25 42.487 43.440 13.696 1.00 0.00 C ATOM 389 C ASN A 25 42.822 44.582 14.657 1.00 0.00 C ATOM 390 O ASN A 25 43.351 45.611 14.244 1.00 0.00 O ATOM 391 CB ASN A 25 41.010 43.444 13.315 1.00 0.00 C ATOM 392 CG ASN A 25 40.684 42.662 12.040 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.540 42.269 11.251 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.399 42.455 11.772 1.00 0.00 N ATOM 0 H ASN A 25 42.023 41.585 14.520 1.00 0.00 H new ATOM 0 HA ASN A 25 43.078 43.596 12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.433 43.026 14.140 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.683 44.476 13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.128 41.972 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.684 42.779 12.423 1.00 0.00 H new ATOM 401 N VAL A 26 42.581 44.398 15.953 1.00 0.00 N ATOM 402 CA VAL A 26 42.965 45.360 16.965 1.00 0.00 C ATOM 403 C VAL A 26 44.487 45.446 17.100 1.00 0.00 C ATOM 404 O VAL A 26 45.012 46.557 17.126 1.00 0.00 O ATOM 405 CB VAL A 26 42.226 45.113 18.277 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.665 46.079 19.374 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.727 45.302 18.067 1.00 0.00 C ATOM 0 H VAL A 26 42.112 43.572 16.325 1.00 0.00 H new ATOM 0 HA VAL A 26 42.649 46.353 16.644 1.00 0.00 H new ATOM 0 HB VAL A 26 42.460 44.094 18.586 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.113 45.866 20.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.733 45.959 19.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.464 47.103 19.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.203 45.125 19.006 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.532 46.320 17.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.373 44.597 17.315 1.00 0.00 H new ATOM 417 N LYS A 27 45.218 44.337 17.043 1.00 0.00 N ATOM 418 CA LYS A 27 46.666 44.338 16.962 1.00 0.00 C ATOM 419 C LYS A 27 47.190 45.078 15.730 1.00 0.00 C ATOM 420 O LYS A 27 48.152 45.833 15.853 1.00 0.00 O ATOM 421 CB LYS A 27 47.218 42.915 16.933 1.00 0.00 C ATOM 422 CG LYS A 27 47.335 42.253 18.303 1.00 0.00 C ATOM 423 CD LYS A 27 47.934 40.860 18.121 1.00 0.00 C ATOM 424 CE LYS A 27 48.461 40.282 19.431 1.00 0.00 C ATOM 425 NZ LYS A 27 49.146 39.005 19.181 1.00 0.00 N ATOM 0 H LYS A 27 44.811 43.402 17.052 1.00 0.00 H new ATOM 0 HA LYS A 27 47.008 44.860 17.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.575 42.302 16.301 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.203 42.930 16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.965 42.853 18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.355 42.185 18.775 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.177 40.192 17.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.745 40.908 17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.149 40.987 19.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.637 40.131 20.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.951 38.910 19.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.482 38.219 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.490 38.982 18.200 1.00 0.00 H new ATOM 439 N ALA A 28 46.575 44.913 14.563 1.00 0.00 N ATOM 440 CA ALA A 28 46.975 45.618 13.361 1.00 0.00 C ATOM 441 C ALA A 28 46.755 47.127 13.486 1.00 0.00 C ATOM 442 O ALA A 28 47.593 47.917 13.060 1.00 0.00 O ATOM 443 CB ALA A 28 46.230 45.034 12.164 1.00 0.00 C ATOM 0 H ALA A 28 45.784 44.284 14.429 1.00 0.00 H new ATOM 0 HA ALA A 28 48.046 45.480 13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.528 45.561 11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.473 43.976 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.156 45.147 12.313 1.00 0.00 H new ATOM 449 N LYS A 29 45.681 47.552 14.148 1.00 0.00 N ATOM 450 CA LYS A 29 45.407 48.946 14.431 1.00 0.00 C ATOM 451 C LYS A 29 46.347 49.529 15.488 1.00 0.00 C ATOM 452 O LYS A 29 46.773 50.673 15.352 1.00 0.00 O ATOM 453 CB LYS A 29 43.925 49.101 14.759 1.00 0.00 C ATOM 454 CG LYS A 29 43.112 49.003 13.472 1.00 0.00 C ATOM 455 CD LYS A 29 41.598 49.021 13.669 1.00 0.00 C ATOM 456 CE LYS A 29 41.045 47.660 14.080 1.00 0.00 C ATOM 457 NZ LYS A 29 39.576 47.634 14.008 1.00 0.00 N ATOM 0 H LYS A 29 44.967 46.919 14.507 1.00 0.00 H new ATOM 0 HA LYS A 29 45.616 49.545 13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.613 48.327 15.460 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.746 50.061 15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.389 49.831 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.386 48.084 12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.343 49.758 14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.118 49.340 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.456 46.887 13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.365 47.427 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.232 46.690 14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.184 48.344 14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.272 47.849 13.037 1.00 0.00 H new ATOM 471 N ILE A 30 46.760 48.738 16.475 1.00 0.00 N ATOM 472 CA ILE A 30 47.792 49.072 17.435 1.00 0.00 C ATOM 473 C ILE A 30 49.176 49.102 16.784 1.00 0.00 C ATOM 474 O ILE A 30 49.995 49.940 17.156 1.00 0.00 O ATOM 475 CB ILE A 30 47.714 48.155 18.652 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.448 48.450 19.452 1.00 0.00 C ATOM 477 CG2 ILE A 30 48.929 48.295 19.564 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.131 47.435 20.548 1.00 0.00 C ATOM 0 H ILE A 30 46.364 47.810 16.628 1.00 0.00 H new ATOM 0 HA ILE A 30 47.616 50.085 17.798 1.00 0.00 H new ATOM 0 HB ILE A 30 47.693 47.132 18.277 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.544 49.436 19.906 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.603 48.497 18.764 1.00 0.00 H new ATOM 0 HG21 ILE A 30 48.825 47.622 20.415 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.832 48.041 19.009 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.000 49.322 19.921 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.215 47.728 21.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 45.998 46.449 20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 30 46.953 47.403 21.263 1.00 0.00 H new ATOM 490 N GLN A 31 49.451 48.287 15.769 1.00 0.00 N ATOM 491 CA GLN A 31 50.693 48.328 15.025 1.00 0.00 C ATOM 492 C GLN A 31 50.855 49.681 14.329 1.00 0.00 C ATOM 493 O GLN A 31 51.914 50.296 14.435 1.00 0.00 O ATOM 494 CB GLN A 31 50.747 47.191 14.008 1.00 0.00 C ATOM 495 CG GLN A 31 52.063 47.148 13.238 1.00 0.00 C ATOM 496 CD GLN A 31 52.086 46.111 12.114 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.070 45.602 11.645 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.278 45.767 11.635 1.00 0.00 N ATOM 0 H GLN A 31 48.803 47.571 15.440 1.00 0.00 H new ATOM 0 HA GLN A 31 51.519 48.200 15.725 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.602 46.242 14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.923 47.301 13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.258 48.133 12.815 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.874 46.934 13.934 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.123 46.187 12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.347 45.083 10.881 1.00 0.00 H new ATOM 507 N ASP A 32 49.803 50.169 13.677 1.00 0.00 N ATOM 508 CA ASP A 32 49.816 51.467 13.032 1.00 0.00 C ATOM 509 C ASP A 32 49.973 52.611 14.035 1.00 0.00 C ATOM 510 O ASP A 32 50.759 53.525 13.795 1.00 0.00 O ATOM 511 CB ASP A 32 48.560 51.621 12.180 1.00 0.00 C ATOM 512 CG ASP A 32 48.715 52.760 11.170 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.341 52.535 10.112 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.220 53.877 11.434 1.00 0.00 O ATOM 0 H ASP A 32 48.918 49.670 13.584 1.00 0.00 H new ATOM 0 HA ASP A 32 50.690 51.523 12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.358 50.689 11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.702 51.816 12.823 1.00 0.00 H new ATOM 519 N LYS A 33 49.310 52.533 15.186 1.00 0.00 N ATOM 520 CA LYS A 33 49.346 53.534 16.233 1.00 0.00 C ATOM 521 C LYS A 33 50.662 53.597 17.010 1.00 0.00 C ATOM 522 O LYS A 33 51.170 54.694 17.230 1.00 0.00 O ATOM 523 CB LYS A 33 48.142 53.321 17.146 1.00 0.00 C ATOM 524 CG LYS A 33 48.012 54.282 18.325 1.00 0.00 C ATOM 525 CD LYS A 33 47.936 55.770 17.995 1.00 0.00 C ATOM 526 CE LYS A 33 46.684 56.132 17.201 1.00 0.00 C ATOM 527 NZ LYS A 33 46.657 57.563 16.865 1.00 0.00 N ATOM 0 H LYS A 33 48.713 51.739 15.417 1.00 0.00 H new ATOM 0 HA LYS A 33 49.288 54.513 15.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.237 53.395 16.543 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.183 52.304 17.536 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.117 54.012 18.886 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.863 54.124 18.987 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.953 56.345 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 33 48.819 56.057 17.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.648 55.541 16.286 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.797 55.876 17.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.794 57.777 16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.667 58.125 17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.491 57.801 16.291 1.00 0.00 H new ATOM 541 N GLU A 34 51.216 52.467 17.442 1.00 0.00 N ATOM 542 CA GLU A 34 52.330 52.388 18.365 1.00 0.00 C ATOM 543 C GLU A 34 53.640 51.861 17.778 1.00 0.00 C ATOM 544 O GLU A 34 54.687 52.051 18.395 1.00 0.00 O ATOM 545 CB GLU A 34 51.933 51.568 19.588 1.00 0.00 C ATOM 546 CG GLU A 34 51.260 52.386 20.687 1.00 0.00 C ATOM 547 CD GLU A 34 52.247 53.354 21.344 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.121 52.900 22.113 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.195 54.568 21.055 1.00 0.00 O ATOM 0 H GLU A 34 50.884 51.550 17.144 1.00 0.00 H new ATOM 0 HA GLU A 34 52.545 53.421 18.638 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.258 50.771 19.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.823 51.090 19.997 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.424 52.945 20.267 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.848 51.716 21.441 1.00 0.00 H new ATOM 556 N GLY A 35 53.631 51.225 16.610 1.00 0.00 N ATOM 557 CA GLY A 35 54.838 50.766 15.952 1.00 0.00 C ATOM 558 C GLY A 35 55.441 49.480 16.522 1.00 0.00 C ATOM 559 O GLY A 35 56.659 49.316 16.501 1.00 0.00 O ATOM 0 H GLY A 35 52.776 51.015 16.094 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.620 50.609 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.587 51.556 16.009 1.00 0.00 H new ATOM 563 N ILE A 36 54.623 48.567 17.037 1.00 0.00 N ATOM 564 CA ILE A 36 55.040 47.268 17.526 1.00 0.00 C ATOM 565 C ILE A 36 54.478 46.172 16.617 1.00 0.00 C ATOM 566 O ILE A 36 53.264 46.157 16.424 1.00 0.00 O ATOM 567 CB ILE A 36 54.640 47.060 18.984 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.192 48.176 19.867 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.125 45.703 19.486 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.831 48.058 21.345 1.00 0.00 C ATOM 0 H ILE A 36 53.619 48.722 17.126 1.00 0.00 H new ATOM 0 HA ILE A 36 56.128 47.216 17.497 1.00 0.00 H new ATOM 0 HB ILE A 36 53.552 47.085 19.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.278 48.192 19.772 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.825 49.132 19.493 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.830 45.574 20.527 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.681 44.912 18.882 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.211 45.653 19.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.266 48.893 21.894 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.747 48.075 21.457 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.222 47.121 21.741 1.00 0.00 H new ATOM 582 N PRO A 37 55.278 45.247 16.096 1.00 0.00 N ATOM 583 CA PRO A 37 54.795 44.142 15.292 1.00 0.00 C ATOM 584 C PRO A 37 53.782 43.265 16.031 1.00 0.00 C ATOM 585 O PRO A 37 54.020 42.935 17.190 1.00 0.00 O ATOM 586 CB PRO A 37 56.023 43.326 14.901 1.00 0.00 C ATOM 587 CG PRO A 37 57.147 44.356 14.940 1.00 0.00 C ATOM 588 CD PRO A 37 56.727 45.255 16.101 1.00 0.00 C ATOM 0 HA PRO A 37 54.264 44.527 14.421 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.202 42.507 15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.915 42.884 13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.117 43.892 15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.223 44.910 14.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.118 44.881 17.047 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.114 46.266 15.974 1.00 0.00 H new ATOM 596 N PRO A 38 52.687 42.838 15.407 1.00 0.00 N ATOM 597 CA PRO A 38 51.692 41.983 16.022 1.00 0.00 C ATOM 598 C PRO A 38 52.218 40.705 16.678 1.00 0.00 C ATOM 599 O PRO A 38 51.660 40.300 17.696 1.00 0.00 O ATOM 600 CB PRO A 38 50.698 41.656 14.911 1.00 0.00 C ATOM 601 CG PRO A 38 50.711 42.937 14.082 1.00 0.00 C ATOM 602 CD PRO A 38 52.181 43.341 14.146 1.00 0.00 C ATOM 0 HA PRO A 38 51.251 42.517 16.863 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.010 40.790 14.327 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.706 41.435 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.380 42.764 13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.059 43.702 14.503 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.737 42.920 13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.289 44.424 14.088 1.00 0.00 H new ATOM 610 N ASP A 39 53.309 40.117 16.197 1.00 0.00 N ATOM 611 CA ASP A 39 53.928 38.947 16.786 1.00 0.00 C ATOM 612 C ASP A 39 54.772 39.226 18.031 1.00 0.00 C ATOM 613 O ASP A 39 55.159 38.290 18.727 1.00 0.00 O ATOM 614 CB ASP A 39 54.704 38.143 15.745 1.00 0.00 C ATOM 615 CG ASP A 39 56.083 38.693 15.377 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.192 39.851 14.919 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.083 37.951 15.494 1.00 0.00 O ATOM 0 H ASP A 39 53.795 40.454 15.366 1.00 0.00 H new ATOM 0 HA ASP A 39 53.098 38.339 17.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.826 37.125 16.115 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.103 38.082 14.838 1.00 0.00 H new ATOM 622 N GLN A 40 55.026 40.492 18.351 1.00 0.00 N ATOM 623 CA GLN A 40 55.579 40.919 19.621 1.00 0.00 C ATOM 624 C GLN A 40 54.546 41.536 20.566 1.00 0.00 C ATOM 625 O GLN A 40 54.759 41.495 21.776 1.00 0.00 O ATOM 626 CB GLN A 40 56.735 41.895 19.413 1.00 0.00 C ATOM 627 CG GLN A 40 57.938 41.238 18.745 1.00 0.00 C ATOM 628 CD GLN A 40 59.230 42.034 18.940 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.262 43.262 18.942 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.363 41.356 19.096 1.00 0.00 N ATOM 0 H GLN A 40 54.846 41.266 17.712 1.00 0.00 H new ATOM 0 HA GLN A 40 55.943 40.010 20.101 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.395 42.731 18.802 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.037 42.306 20.376 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.070 40.235 19.150 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.741 41.128 17.679 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.351 40.336 19.096 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.244 41.856 19.215 1.00 0.00 H new ATOM 639 N GLN A 41 53.442 42.085 20.067 1.00 0.00 N ATOM 640 CA GLN A 41 52.377 42.614 20.896 1.00 0.00 C ATOM 641 C GLN A 41 51.717 41.516 21.732 1.00 0.00 C ATOM 642 O GLN A 41 51.121 40.598 21.173 1.00 0.00 O ATOM 643 CB GLN A 41 51.284 43.256 20.049 1.00 0.00 C ATOM 644 CG GLN A 41 51.653 44.540 19.311 1.00 0.00 C ATOM 645 CD GLN A 41 50.450 45.082 18.539 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.310 45.048 18.999 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.632 45.597 17.327 1.00 0.00 N ATOM 0 H GLN A 41 53.265 42.173 19.066 1.00 0.00 H new ATOM 0 HA GLN A 41 52.841 43.355 21.547 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.950 42.525 19.313 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.433 43.468 20.696 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.002 45.288 20.023 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.476 44.347 18.623 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.569 45.636 16.925 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.835 45.953 16.799 1.00 0.00 H new ATOM 656 N ARG A 42 51.734 41.636 23.057 1.00 0.00 N ATOM 657 CA ARG A 42 50.875 40.893 23.956 1.00 0.00 C ATOM 658 C ARG A 42 49.898 41.855 24.636 1.00 0.00 C ATOM 659 O ARG A 42 50.321 42.874 25.176 1.00 0.00 O ATOM 660 CB ARG A 42 51.727 40.094 24.939 1.00 0.00 C ATOM 661 CG ARG A 42 50.878 39.389 25.993 1.00 0.00 C ATOM 662 CD ARG A 42 51.707 38.508 26.924 1.00 0.00 C ATOM 663 NE ARG A 42 52.189 37.295 26.261 1.00 0.00 N ATOM 664 CZ ARG A 42 53.004 36.392 26.824 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.476 36.528 28.071 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.375 35.305 26.136 1.00 0.00 N ATOM 0 H ARG A 42 52.366 42.273 23.542 1.00 0.00 H new ATOM 0 HA ARG A 42 50.274 40.168 23.408 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.313 39.355 24.393 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.434 40.762 25.431 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.346 40.135 26.583 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.124 38.778 25.497 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.558 39.078 27.297 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.105 38.231 27.790 1.00 0.00 H new ATOM 0 HE ARG A 42 51.883 37.125 25.303 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.217 37.342 28.628 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.094 35.818 28.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.037 35.164 25.184 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.995 34.618 26.564 1.00 0.00 H new ATOM 680 N LEU A 43 48.610 41.524 24.619 1.00 0.00 N ATOM 681 CA LEU A 43 47.556 42.291 25.253 1.00 0.00 C ATOM 682 C LEU A 43 47.028 41.554 26.485 1.00 0.00 C ATOM 683 O LEU A 43 46.727 40.365 26.406 1.00 0.00 O ATOM 684 CB LEU A 43 46.451 42.581 24.243 1.00 0.00 C ATOM 685 CG LEU A 43 46.875 43.309 22.970 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.662 43.500 22.064 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.487 44.680 23.238 1.00 0.00 C ATOM 0 H LEU A 43 48.266 40.687 24.147 1.00 0.00 H new ATOM 0 HA LEU A 43 47.955 43.246 25.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.990 41.635 23.959 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.682 43.175 24.737 1.00 0.00 H new ATOM 0 HG LEU A 43 47.637 42.688 22.498 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.965 44.020 21.155 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.245 42.527 21.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.908 44.090 22.585 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.767 45.145 22.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.759 45.309 23.750 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.373 44.567 23.863 1.00 0.00 H new ATOM 699 N ILE A 44 46.902 42.259 27.606 1.00 0.00 N ATOM 700 CA ILE A 44 46.344 41.759 28.847 1.00 0.00 C ATOM 701 C ILE A 44 45.117 42.585 29.240 1.00 0.00 C ATOM 702 O ILE A 44 45.191 43.812 29.275 1.00 0.00 O ATOM 703 CB ILE A 44 47.357 41.767 29.987 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.764 41.279 29.654 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.807 40.981 31.174 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.896 39.818 29.231 1.00 0.00 C ATOM 0 H ILE A 44 47.199 43.232 27.671 1.00 0.00 H new ATOM 0 HA ILE A 44 46.056 40.722 28.674 1.00 0.00 H new ATOM 0 HB ILE A 44 47.486 42.823 30.223 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.161 41.903 28.853 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.396 41.440 30.527 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.535 40.990 31.985 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.878 41.439 31.515 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.614 39.952 30.871 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.942 39.593 29.022 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.540 39.173 30.034 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.301 39.644 28.335 1.00 0.00 H new ATOM 718 N PHE A 45 44.016 41.925 29.583 1.00 0.00 N ATOM 719 CA PHE A 45 42.828 42.552 30.129 1.00 0.00 C ATOM 720 C PHE A 45 42.354 41.848 31.401 1.00 0.00 C ATOM 721 O PHE A 45 42.108 40.644 31.388 1.00 0.00 O ATOM 722 CB PHE A 45 41.723 42.583 29.076 1.00 0.00 C ATOM 723 CG PHE A 45 40.445 43.233 29.551 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.470 44.562 29.988 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.245 42.513 29.597 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.307 45.163 30.486 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.074 43.121 30.065 1.00 0.00 C ATOM 728 CZ PHE A 45 38.104 44.449 30.508 1.00 0.00 C ATOM 0 H PHE A 45 43.928 40.914 29.485 1.00 0.00 H new ATOM 0 HA PHE A 45 43.080 43.576 30.404 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.086 43.117 28.198 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.505 41.562 28.761 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.390 45.127 29.941 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.223 41.484 29.270 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.339 46.178 30.853 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.148 42.566 30.084 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.201 44.921 30.866 1.00 0.00 H new ATOM 738 N ALA A 46 42.229 42.589 32.500 1.00 0.00 N ATOM 739 CA ALA A 46 41.872 42.092 33.813 1.00 0.00 C ATOM 740 C ALA A 46 42.621 40.818 34.211 1.00 0.00 C ATOM 741 O ALA A 46 42.040 39.844 34.682 1.00 0.00 O ATOM 742 CB ALA A 46 40.352 42.040 33.935 1.00 0.00 C ATOM 0 H ALA A 46 42.382 43.597 32.491 1.00 0.00 H new ATOM 0 HA ALA A 46 42.221 42.793 34.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.079 41.666 34.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.942 43.041 33.799 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.948 41.376 33.171 1.00 0.00 H new ATOM 748 N GLY A 47 43.926 40.798 33.951 1.00 0.00 N ATOM 749 CA GLY A 47 44.831 39.700 34.223 1.00 0.00 C ATOM 750 C GLY A 47 44.884 38.571 33.191 1.00 0.00 C ATOM 751 O GLY A 47 45.830 37.787 33.235 1.00 0.00 O ATOM 0 H GLY A 47 44.399 41.593 33.522 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.836 40.108 34.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.558 39.267 35.185 1.00 0.00 H new ATOM 755 N LYS A 48 43.950 38.475 32.249 1.00 0.00 N ATOM 756 CA LYS A 48 43.918 37.437 31.240 1.00 0.00 C ATOM 757 C LYS A 48 44.647 37.871 29.966 1.00 0.00 C ATOM 758 O LYS A 48 44.397 38.954 29.441 1.00 0.00 O ATOM 759 CB LYS A 48 42.481 36.993 30.980 1.00 0.00 C ATOM 760 CG LYS A 48 42.396 35.713 30.154 1.00 0.00 C ATOM 761 CD LYS A 48 40.959 35.213 30.046 1.00 0.00 C ATOM 762 CE LYS A 48 40.871 33.945 29.200 1.00 0.00 C ATOM 763 NZ LYS A 48 39.506 33.404 29.130 1.00 0.00 N ATOM 0 H LYS A 48 43.178 39.137 32.170 1.00 0.00 H new ATOM 0 HA LYS A 48 44.460 36.569 31.614 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.976 36.839 31.933 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.948 37.790 30.462 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.795 35.895 29.156 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.017 34.942 30.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.566 35.015 31.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.334 35.990 29.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.224 34.161 28.192 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.536 33.189 29.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.503 32.545 28.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.175 33.171 30.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.873 34.113 28.708 1.00 0.00 H new ATOM 777 N GLN A 49 45.533 37.016 29.464 1.00 0.00 N ATOM 778 CA GLN A 49 46.262 37.195 28.223 1.00 0.00 C ATOM 779 C GLN A 49 45.354 36.950 27.017 1.00 0.00 C ATOM 780 O GLN A 49 44.698 35.912 26.952 1.00 0.00 O ATOM 781 CB GLN A 49 47.449 36.238 28.260 1.00 0.00 C ATOM 782 CG GLN A 49 48.429 36.403 27.102 1.00 0.00 C ATOM 783 CD GLN A 49 49.573 35.392 27.207 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.377 35.426 28.136 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.699 34.442 26.284 1.00 0.00 N ATOM 0 H GLN A 49 45.769 36.143 29.935 1.00 0.00 H new ATOM 0 HA GLN A 49 46.620 38.220 28.120 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.986 36.381 29.198 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.075 35.214 28.260 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.906 36.269 26.155 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.832 37.416 27.103 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.042 34.397 25.505 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.453 33.759 26.355 1.00 0.00 H new ATOM 794 N LEU A 50 45.288 37.874 26.062 1.00 0.00 N ATOM 795 CA LEU A 50 44.409 37.797 24.913 1.00 0.00 C ATOM 796 C LEU A 50 45.063 37.093 23.723 1.00 0.00 C ATOM 797 O LEU A 50 46.288 37.057 23.625 1.00 0.00 O ATOM 798 CB LEU A 50 43.910 39.190 24.539 1.00 0.00 C ATOM 799 CG LEU A 50 43.372 40.059 25.672 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.789 41.353 25.112 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.284 39.361 26.483 1.00 0.00 C ATOM 0 H LEU A 50 45.862 38.717 26.072 1.00 0.00 H new ATOM 0 HA LEU A 50 43.552 37.184 25.192 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.729 39.726 24.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.123 39.079 23.793 1.00 0.00 H new ATOM 0 HG LEU A 50 44.217 40.262 26.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.408 41.965 25.930 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.566 41.902 24.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.976 41.118 24.425 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.938 40.025 27.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.448 39.109 25.830 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.687 38.449 26.924 1.00 0.00 H new ATOM 813 N GLU A 51 44.275 36.554 22.797 1.00 0.00 N ATOM 814 CA GLU A 51 44.758 35.839 21.632 1.00 0.00 C ATOM 815 C GLU A 51 44.041 36.161 20.319 1.00 0.00 C ATOM 816 O GLU A 51 42.835 36.391 20.266 1.00 0.00 O ATOM 817 CB GLU A 51 44.798 34.338 21.897 1.00 0.00 C ATOM 818 CG GLU A 51 43.452 33.666 22.156 1.00 0.00 C ATOM 819 CD GLU A 51 43.287 33.243 23.617 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.970 32.289 24.049 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.433 33.809 24.334 1.00 0.00 O ATOM 0 H GLU A 51 43.257 36.607 22.842 1.00 0.00 H new ATOM 0 HA GLU A 51 45.772 36.206 21.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.266 33.851 21.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.442 34.159 22.758 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.648 34.351 21.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.355 32.791 21.513 1.00 0.00 H new ATOM 828 N ASP A 52 44.821 36.164 19.242 1.00 0.00 N ATOM 829 CA ASP A 52 44.542 36.702 17.925 1.00 0.00 C ATOM 830 C ASP A 52 43.279 36.194 17.228 1.00 0.00 C ATOM 831 O ASP A 52 42.761 36.891 16.359 1.00 0.00 O ATOM 832 CB ASP A 52 45.765 36.436 17.052 1.00 0.00 C ATOM 833 CG ASP A 52 47.045 37.101 17.561 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.414 36.915 18.741 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.708 37.836 16.796 1.00 0.00 O ATOM 0 H ASP A 52 45.752 35.749 19.279 1.00 0.00 H new ATOM 0 HA ASP A 52 44.339 37.763 18.069 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.927 35.360 16.988 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.561 36.788 16.041 1.00 0.00 H new ATOM 840 N GLY A 53 42.782 35.009 17.573 1.00 0.00 N ATOM 841 CA GLY A 53 41.591 34.431 16.985 1.00 0.00 C ATOM 842 C GLY A 53 40.259 34.932 17.549 1.00 0.00 C ATOM 843 O GLY A 53 39.250 34.856 16.853 1.00 0.00 O ATOM 0 H GLY A 53 43.210 34.417 18.285 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.606 34.627 15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.634 33.349 17.112 1.00 0.00 H new ATOM 847 N ARG A 54 40.226 35.416 18.788 1.00 0.00 N ATOM 848 CA ARG A 54 39.006 35.738 19.499 1.00 0.00 C ATOM 849 C ARG A 54 38.525 37.168 19.245 1.00 0.00 C ATOM 850 O ARG A 54 39.260 37.985 18.695 1.00 0.00 O ATOM 851 CB ARG A 54 39.190 35.448 20.987 1.00 0.00 C ATOM 852 CG ARG A 54 38.931 34.000 21.393 1.00 0.00 C ATOM 853 CD ARG A 54 39.833 32.985 20.696 1.00 0.00 C ATOM 854 NE ARG A 54 39.741 31.665 21.321 1.00 0.00 N ATOM 855 CZ ARG A 54 39.366 30.516 20.743 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.883 30.433 19.496 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.461 29.367 21.426 1.00 0.00 N ATOM 0 H ARG A 54 41.070 35.597 19.332 1.00 0.00 H new ATOM 0 HA ARG A 54 38.213 35.099 19.111 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.208 35.714 21.272 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.521 36.095 21.554 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.063 33.907 22.471 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.891 33.754 21.177 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.554 32.911 19.645 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.866 33.332 20.728 1.00 0.00 H new ATOM 0 HE ARG A 54 39.991 31.614 22.309 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.784 31.276 18.930 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.615 29.527 19.112 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.818 29.370 22.382 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.177 28.490 20.990 1.00 0.00 H new ATOM 871 N THR A 55 37.298 37.470 19.662 1.00 0.00 N ATOM 872 CA THR A 55 36.717 38.797 19.628 1.00 0.00 C ATOM 873 C THR A 55 36.796 39.505 20.982 1.00 0.00 C ATOM 874 O THR A 55 36.919 38.861 22.021 1.00 0.00 O ATOM 875 CB THR A 55 35.270 38.809 19.142 1.00 0.00 C ATOM 876 OG1 THR A 55 34.411 38.170 20.060 1.00 0.00 O ATOM 877 CG2 THR A 55 35.079 38.161 17.773 1.00 0.00 C ATOM 0 H THR A 55 36.664 36.769 20.045 1.00 0.00 H new ATOM 0 HA THR A 55 37.324 39.342 18.905 1.00 0.00 H new ATOM 0 HB THR A 55 35.015 39.865 19.055 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.701 37.243 20.188 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.027 38.206 17.493 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.675 38.694 17.032 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.399 37.120 17.815 1.00 0.00 H new ATOM 885 N LEU A 56 36.687 40.831 21.003 1.00 0.00 N ATOM 886 CA LEU A 56 36.724 41.599 22.231 1.00 0.00 C ATOM 887 C LEU A 56 35.588 41.253 23.195 1.00 0.00 C ATOM 888 O LEU A 56 35.788 41.243 24.407 1.00 0.00 O ATOM 889 CB LEU A 56 36.763 43.083 21.881 1.00 0.00 C ATOM 890 CG LEU A 56 38.170 43.624 21.647 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.874 43.037 20.427 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.097 45.139 21.472 1.00 0.00 C ATOM 0 H LEU A 56 36.570 41.399 20.164 1.00 0.00 H new ATOM 0 HA LEU A 56 37.630 41.335 22.776 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.166 43.251 20.985 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.296 43.649 22.687 1.00 0.00 H new ATOM 0 HG LEU A 56 38.754 43.334 22.520 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.868 43.475 20.334 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.963 41.957 20.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.295 43.259 19.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.099 45.535 21.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.465 45.376 20.616 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.675 45.589 22.371 1.00 0.00 H new ATOM 904 N SER A 57 34.416 40.900 22.673 1.00 0.00 N ATOM 905 CA SER A 57 33.263 40.439 23.419 1.00 0.00 C ATOM 906 C SER A 57 33.500 39.098 24.118 1.00 0.00 C ATOM 907 O SER A 57 32.968 38.891 25.206 1.00 0.00 O ATOM 908 CB SER A 57 32.065 40.355 22.479 1.00 0.00 C ATOM 909 OG SER A 57 30.886 40.023 23.180 1.00 0.00 O ATOM 0 H SER A 57 34.243 40.932 21.668 1.00 0.00 H new ATOM 0 HA SER A 57 33.069 41.160 24.213 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.932 41.310 21.970 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.256 39.607 21.709 1.00 0.00 H new ATOM 0 HG SER A 57 30.134 39.978 22.553 1.00 0.00 H new ATOM 915 N ASP A 58 34.353 38.225 23.591 1.00 0.00 N ATOM 916 CA ASP A 58 34.752 37.002 24.257 1.00 0.00 C ATOM 917 C ASP A 58 35.453 37.257 25.593 1.00 0.00 C ATOM 918 O ASP A 58 35.452 36.384 26.459 1.00 0.00 O ATOM 919 CB ASP A 58 35.648 36.142 23.371 1.00 0.00 C ATOM 920 CG ASP A 58 34.926 35.582 22.144 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.934 34.846 22.338 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.334 35.869 20.998 1.00 0.00 O ATOM 0 H ASP A 58 34.789 38.354 22.678 1.00 0.00 H new ATOM 0 HA ASP A 58 33.826 36.464 24.458 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.501 36.736 23.043 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.044 35.315 23.960 1.00 0.00 H new ATOM 927 N TYR A 59 35.998 38.453 25.800 1.00 0.00 N ATOM 928 CA TYR A 59 36.680 38.870 27.009 1.00 0.00 C ATOM 929 C TYR A 59 35.916 39.918 27.819 1.00 0.00 C ATOM 930 O TYR A 59 36.459 40.418 28.801 1.00 0.00 O ATOM 931 CB TYR A 59 38.085 39.354 26.662 1.00 0.00 C ATOM 932 CG TYR A 59 38.894 38.402 25.815 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.508 37.284 26.395 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.069 38.681 24.455 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.342 36.467 25.622 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.902 37.871 23.674 1.00 0.00 C ATOM 937 CZ TYR A 59 40.560 36.774 24.265 1.00 0.00 C ATOM 938 OH TYR A 59 41.425 36.040 23.507 1.00 0.00 O ATOM 0 H TYR A 59 35.972 39.188 25.093 1.00 0.00 H new ATOM 0 HA TYR A 59 36.740 37.997 27.659 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.006 40.306 26.138 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.627 39.544 27.588 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.338 37.053 27.436 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.561 39.522 24.007 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.817 35.604 26.065 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.040 38.086 22.625 1.00 0.00 H new ATOM 0 HH TYR A 59 41.902 35.403 24.079 1.00 0.00 H new ATOM 948 N ASN A 60 34.683 40.261 27.459 1.00 0.00 N ATOM 949 CA ASN A 60 33.877 41.262 28.129 1.00 0.00 C ATOM 950 C ASN A 60 34.489 42.664 28.168 1.00 0.00 C ATOM 951 O ASN A 60 34.379 43.380 29.161 1.00 0.00 O ATOM 952 CB ASN A 60 33.385 40.743 29.477 1.00 0.00 C ATOM 953 CG ASN A 60 32.645 39.410 29.356 1.00 0.00 C ATOM 954 OD1 ASN A 60 33.164 38.346 29.685 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.413 39.425 28.852 1.00 0.00 N ATOM 0 H ASN A 60 34.206 39.832 26.666 1.00 0.00 H new ATOM 0 HA ASN A 60 32.996 41.421 27.508 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.235 40.623 30.149 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.723 41.483 29.928 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.898 38.552 28.738 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.984 40.309 28.580 1.00 0.00 H new ATOM 962 N ILE A 61 35.120 43.078 27.073 1.00 0.00 N ATOM 963 CA ILE A 61 35.628 44.422 26.884 1.00 0.00 C ATOM 964 C ILE A 61 34.479 45.337 26.454 1.00 0.00 C ATOM 965 O ILE A 61 33.749 45.038 25.511 1.00 0.00 O ATOM 966 CB ILE A 61 36.796 44.403 25.902 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.985 43.650 26.492 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.224 45.815 25.512 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.035 43.224 25.470 1.00 0.00 C ATOM 0 H ILE A 61 35.294 42.467 26.275 1.00 0.00 H new ATOM 0 HA ILE A 61 36.023 44.824 27.817 1.00 0.00 H new ATOM 0 HB ILE A 61 36.455 43.888 25.004 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.462 44.280 27.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.617 42.763 27.008 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.058 45.762 24.812 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.387 46.332 25.042 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.533 46.361 26.403 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.843 42.696 25.977 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.578 42.565 24.732 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.435 44.106 24.970 1.00 0.00 H new ATOM 981 N GLN A 62 34.309 46.455 27.154 1.00 0.00 N ATOM 982 CA GLN A 62 33.253 47.432 26.973 1.00 0.00 C ATOM 983 C GLN A 62 33.784 48.866 27.033 1.00 0.00 C ATOM 984 O GLN A 62 34.981 49.064 27.230 1.00 0.00 O ATOM 985 CB GLN A 62 32.119 47.127 27.948 1.00 0.00 C ATOM 986 CG GLN A 62 32.471 47.083 29.432 1.00 0.00 C ATOM 987 CD GLN A 62 31.304 46.573 30.279 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.233 47.172 30.354 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.431 45.431 30.949 1.00 0.00 N ATOM 0 H GLN A 62 34.946 46.714 27.907 1.00 0.00 H new ATOM 0 HA GLN A 62 32.837 47.353 25.969 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.341 47.877 27.807 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.687 46.164 27.674 1.00 0.00 H new ATOM 0 HG2 GLN A 62 33.337 46.438 29.581 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.755 48.080 29.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.307 44.910 30.907 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.652 45.076 31.504 1.00 0.00 H new ATOM 998 N LYS A 63 32.953 49.886 26.839 1.00 0.00 N ATOM 999 CA LYS A 63 33.372 51.273 26.816 1.00 0.00 C ATOM 1000 C LYS A 63 34.101 51.695 28.094 1.00 0.00 C ATOM 1001 O LYS A 63 33.731 51.253 29.179 1.00 0.00 O ATOM 1002 CB LYS A 63 32.205 52.196 26.477 1.00 0.00 C ATOM 1003 CG LYS A 63 31.105 52.238 27.533 1.00 0.00 C ATOM 1004 CD LYS A 63 29.825 52.922 27.062 1.00 0.00 C ATOM 1005 CE LYS A 63 29.985 54.384 26.657 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.082 55.294 27.810 1.00 0.00 N ATOM 0 H LYS A 63 31.951 49.763 26.691 1.00 0.00 H new ATOM 0 HA LYS A 63 34.107 51.370 26.017 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.588 53.206 26.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.770 51.878 25.530 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.870 51.219 27.840 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.480 52.758 28.415 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.426 52.367 26.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.084 52.861 27.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.879 54.489 26.042 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.137 54.679 26.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.189 56.272 27.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.219 55.219 28.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.907 55.035 28.388 1.00 0.00 H new ATOM 1020 N GLU A 64 35.150 52.502 27.978 1.00 0.00 N ATOM 1021 CA GLU A 64 36.048 52.878 29.051 1.00 0.00 C ATOM 1022 C GLU A 64 36.732 51.719 29.779 1.00 0.00 C ATOM 1023 O GLU A 64 37.170 51.867 30.917 1.00 0.00 O ATOM 1024 CB GLU A 64 35.425 53.893 30.005 1.00 0.00 C ATOM 1025 CG GLU A 64 35.112 55.248 29.375 1.00 0.00 C ATOM 1026 CD GLU A 64 34.742 56.268 30.453 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.618 57.040 30.901 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.575 56.293 30.896 1.00 0.00 O ATOM 0 H GLU A 64 35.405 52.930 27.088 1.00 0.00 H new ATOM 0 HA GLU A 64 36.872 53.377 28.540 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.504 53.474 30.410 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.102 54.045 30.845 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.976 55.602 28.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.290 55.145 28.666 1.00 0.00 H new ATOM 1035 N SER A 65 36.906 50.567 29.138 1.00 0.00 N ATOM 1036 CA SER A 65 37.799 49.532 29.619 1.00 0.00 C ATOM 1037 C SER A 65 39.269 49.916 29.427 1.00 0.00 C ATOM 1038 O SER A 65 39.606 50.529 28.417 1.00 0.00 O ATOM 1039 CB SER A 65 37.580 48.202 28.903 1.00 0.00 C ATOM 1040 OG SER A 65 36.253 47.758 29.079 1.00 0.00 O ATOM 0 H SER A 65 36.428 50.330 28.269 1.00 0.00 H new ATOM 0 HA SER A 65 37.570 49.425 30.679 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.794 48.315 27.840 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.274 47.456 29.290 1.00 0.00 H new ATOM 0 HG SER A 65 35.635 48.407 28.682 1.00 0.00 H new ATOM 1046 N THR A 66 40.145 49.503 30.339 1.00 0.00 N ATOM 1047 CA THR A 66 41.583 49.633 30.221 1.00 0.00 C ATOM 1048 C THR A 66 42.230 48.263 30.008 1.00 0.00 C ATOM 1049 O THR A 66 42.014 47.348 30.798 1.00 0.00 O ATOM 1050 CB THR A 66 42.192 50.317 31.442 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.704 51.636 31.556 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.710 50.445 31.361 1.00 0.00 C ATOM 0 H THR A 66 39.857 49.054 31.208 1.00 0.00 H new ATOM 0 HA THR A 66 41.783 50.261 29.353 1.00 0.00 H new ATOM 0 HB THR A 66 41.917 49.690 32.290 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.100 52.064 32.343 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.082 50.939 32.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.155 49.453 31.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.979 51.034 30.484 1.00 0.00 H new ATOM 1060 N LEU A 67 43.067 48.136 28.982 1.00 0.00 N ATOM 1061 CA LEU A 67 43.914 46.984 28.745 1.00 0.00 C ATOM 1062 C LEU A 67 45.378 47.402 28.603 1.00 0.00 C ATOM 1063 O LEU A 67 45.673 48.560 28.318 1.00 0.00 O ATOM 1064 CB LEU A 67 43.351 46.143 27.602 1.00 0.00 C ATOM 1065 CG LEU A 67 43.413 46.715 26.188 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.791 46.571 25.549 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.442 45.944 25.300 1.00 0.00 C ATOM 0 H LEU A 67 43.173 48.860 28.272 1.00 0.00 H new ATOM 0 HA LEU A 67 43.909 46.323 29.612 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.879 45.189 27.599 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.307 45.929 27.829 1.00 0.00 H new ATOM 0 HG LEU A 67 43.168 47.774 26.269 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.773 46.996 24.545 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.529 47.099 26.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.057 45.516 25.492 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.479 46.345 24.287 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.722 44.891 25.284 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.431 46.045 25.694 1.00 0.00 H new ATOM 1079 N HIS A 68 46.302 46.469 28.814 1.00 0.00 N ATOM 1080 CA HIS A 68 47.726 46.728 28.884 1.00 0.00 C ATOM 1081 C HIS A 68 48.472 46.079 27.716 1.00 0.00 C ATOM 1082 O HIS A 68 48.163 44.953 27.333 1.00 0.00 O ATOM 1083 CB HIS A 68 48.279 46.267 30.229 1.00 0.00 C ATOM 1084 CG HIS A 68 47.630 46.937 31.409 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.150 48.020 32.116 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.399 46.622 31.922 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.218 48.357 33.011 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.159 47.538 32.928 1.00 0.00 N ATOM 0 H HIS A 68 46.068 45.485 28.944 1.00 0.00 H new ATOM 0 HA HIS A 68 47.884 47.803 28.801 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.147 45.189 30.316 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.351 46.460 30.257 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.749 45.820 31.604 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.305 49.178 33.707 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.321 47.584 33.508 1.00 0.00 H new ATOM 1096 N LEU A 69 49.470 46.784 27.191 1.00 0.00 N ATOM 1097 CA LEU A 69 50.307 46.359 26.087 1.00 0.00 C ATOM 1098 C LEU A 69 51.704 46.008 26.603 1.00 0.00 C ATOM 1099 O LEU A 69 52.372 46.839 27.214 1.00 0.00 O ATOM 1100 CB LEU A 69 50.288 47.465 25.036 1.00 0.00 C ATOM 1101 CG LEU A 69 51.223 47.311 23.839 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.989 46.034 23.038 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.002 48.499 22.907 1.00 0.00 C ATOM 0 H LEU A 69 49.724 47.707 27.543 1.00 0.00 H new ATOM 0 HA LEU A 69 49.935 45.450 25.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.269 47.554 24.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.528 48.406 25.532 1.00 0.00 H new ATOM 0 HG LEU A 69 52.239 47.264 24.231 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.690 45.994 22.204 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.141 45.168 23.682 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.968 46.027 22.655 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.660 48.411 22.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.964 48.511 22.573 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.223 49.425 23.439 1.00 0.00 H new ATOM 1115 N VAL A 70 52.128 44.774 26.343 1.00 0.00 N ATOM 1116 CA VAL A 70 53.367 44.153 26.767 1.00 0.00 C ATOM 1117 C VAL A 70 54.108 43.629 25.535 1.00 0.00 C ATOM 1118 O VAL A 70 53.481 43.357 24.514 1.00 0.00 O ATOM 1119 CB VAL A 70 53.104 43.028 27.764 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.360 42.620 28.528 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.065 43.382 28.823 1.00 0.00 C ATOM 0 H VAL A 70 51.563 44.135 25.784 1.00 0.00 H new ATOM 0 HA VAL A 70 53.985 44.894 27.273 1.00 0.00 H new ATOM 0 HB VAL A 70 52.740 42.215 27.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.118 41.817 29.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.118 42.275 27.825 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.743 43.477 29.082 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.929 42.536 29.497 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.405 44.248 29.391 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.117 43.616 28.339 1.00 0.00 H new ATOM 1131 N LEU A 71 55.427 43.467 25.601 1.00 0.00 N ATOM 1132 CA LEU A 71 56.200 42.805 24.570 1.00 0.00 C ATOM 1133 C LEU A 71 56.369 41.313 24.865 1.00 0.00 C ATOM 1134 O LEU A 71 56.463 40.913 26.023 1.00 0.00 O ATOM 1135 CB LEU A 71 57.548 43.500 24.407 1.00 0.00 C ATOM 1136 CG LEU A 71 58.101 43.434 22.986 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.437 44.474 22.088 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.605 43.690 22.975 1.00 0.00 C ATOM 0 H LEU A 71 55.990 43.798 26.384 1.00 0.00 H new ATOM 0 HA LEU A 71 55.656 42.879 23.628 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.447 44.545 24.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.267 43.046 25.089 1.00 0.00 H new ATOM 0 HG LEU A 71 57.890 42.433 22.610 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.851 44.403 21.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.363 44.291 22.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.622 45.471 22.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.976 43.638 21.951 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.809 44.679 23.384 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.107 42.936 23.581 1.00 0.00 H new ATOM 1150 N ARG A 72 56.492 40.488 23.828 1.00 0.00 N ATOM 1151 CA ARG A 72 57.011 39.137 23.901 1.00 0.00 C ATOM 1152 C ARG A 72 58.043 38.867 22.805 1.00 0.00 C ATOM 1153 O ARG A 72 57.899 39.335 21.678 1.00 0.00 O ATOM 1154 CB ARG A 72 55.891 38.101 23.907 1.00 0.00 C ATOM 1155 CG ARG A 72 55.017 38.086 22.656 1.00 0.00 C ATOM 1156 CD ARG A 72 54.202 36.799 22.571 1.00 0.00 C ATOM 1157 NE ARG A 72 53.450 36.737 21.316 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.152 35.657 20.581 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.551 34.420 20.904 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.427 35.817 19.465 1.00 0.00 N ATOM 0 H ARG A 72 56.221 40.758 22.882 1.00 0.00 H new ATOM 0 HA ARG A 72 57.532 39.041 24.854 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.332 37.112 24.035 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.255 38.281 24.774 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.346 38.945 22.667 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.644 38.182 21.769 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.866 35.938 22.644 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.514 36.743 23.415 1.00 0.00 H new ATOM 0 HE ARG A 72 53.110 37.629 20.956 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.109 34.267 21.744 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.297 33.631 20.310 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.113 36.748 19.190 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.189 35.008 18.891 1.00 0.00 H new ATOM 1174 N LEU A 73 59.050 38.058 23.123 1.00 0.00 N ATOM 1175 CA LEU A 73 60.118 37.634 22.241 1.00 0.00 C ATOM 1176 C LEU A 73 59.936 36.186 21.780 1.00 0.00 C ATOM 1177 O LEU A 73 60.291 35.845 20.654 1.00 0.00 O ATOM 1178 CB LEU A 73 61.453 37.807 22.958 1.00 0.00 C ATOM 1179 CG LEU A 73 61.740 39.194 23.527 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.098 39.189 24.224 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.766 40.283 22.459 1.00 0.00 C ATOM 0 H LEU A 73 59.142 37.662 24.058 1.00 0.00 H new ATOM 0 HA LEU A 73 60.096 38.255 21.346 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.499 37.086 23.774 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.251 37.551 22.261 1.00 0.00 H new ATOM 0 HG LEU A 73 60.930 39.417 24.221 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.302 40.180 24.630 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.089 38.460 25.034 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.874 38.924 23.506 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.975 41.246 22.926 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.543 40.058 21.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.799 40.325 21.958 1.00 0.00 H new ATOM 1193 N ARG A 74 59.365 35.330 22.622 1.00 0.00 N ATOM 1194 CA ARG A 74 59.215 33.907 22.391 1.00 0.00 C ATOM 1195 C ARG A 74 58.212 33.498 21.311 1.00 0.00 C ATOM 1196 O ARG A 74 58.062 32.305 21.055 1.00 0.00 O ATOM 1197 CB ARG A 74 58.940 33.177 23.702 1.00 0.00 C ATOM 1198 CG ARG A 74 59.996 33.430 24.774 1.00 0.00 C ATOM 1199 CD ARG A 74 59.965 32.380 25.881 1.00 0.00 C ATOM 1200 NE ARG A 74 60.700 31.180 25.479 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.983 30.116 26.242 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.473 29.953 27.470 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.821 29.171 25.792 1.00 0.00 N ATOM 0 H ARG A 74 58.980 35.626 23.519 1.00 0.00 H new ATOM 0 HA ARG A 74 60.176 33.597 21.981 1.00 0.00 H new ATOM 0 HB2 ARG A 74 57.966 33.485 24.083 1.00 0.00 H new ATOM 0 HB3 ARG A 74 58.881 32.106 23.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.983 33.438 24.313 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.839 34.417 25.209 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.401 32.791 26.791 1.00 0.00 H new ATOM 0 HD3 ARG A 74 58.932 32.119 26.112 1.00 0.00 H new ATOM 0 HE ARG A 74 61.032 31.151 24.515 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.843 30.655 27.858 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.715 29.127 28.017 1.00 0.00 H new ATOM 0 HH21 ARG A 74 62.244 29.262 24.868 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.036 28.361 26.374 1.00 0.00 H new ATOM 1217 N GLY A 75 57.546 34.439 20.651 1.00 0.00 N ATOM 1218 CA GLY A 75 56.646 34.169 19.548 1.00 0.00 C ATOM 1219 C GLY A 75 57.333 34.028 18.189 1.00 0.00 C ATOM 1220 O GLY A 75 56.788 33.352 17.318 1.00 0.00 O ATOM 0 H GLY A 75 57.622 35.431 20.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 56.097 33.252 19.760 1.00 0.00 H new ATOM 0 HA3 GLY A 75 55.913 34.973 19.489 1.00 0.00 H new ATOM 1224 N GLY A 76 58.501 34.638 18.011 1.00 0.00 N ATOM 1225 CA GLY A 76 59.281 34.653 16.790 1.00 0.00 C ATOM 1226 C GLY A 76 60.064 33.367 16.520 1.00 0.00 C ATOM 1227 O GLY A 76 60.064 32.907 15.358 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.704 32.853 17.463 1.00 0.00 O ATOM 0 H GLY A 76 58.949 35.164 18.762 1.00 0.00 H new ATOM 0 HA2 GLY A 76 58.613 34.839 15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 76 59.981 35.487 16.832 1.00 0.00 H new TER 1232 GLY A 76