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 60 ASN : amide:sc= 0.731 K(o=1.7,f=-0.52) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.928 K(o=1.7,f=-0.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.51 (180deg=2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 78:sc= 0.282 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.275 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 25 ASN : amide:sc= 0.198 X(o=0.2,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 2.28 (180deg=2.26) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 2.34 (180deg=2.16) USER MOD Single : A 31 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0.981 (180deg=0.96) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= 1.45 K(o=1.4,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1) USER MOD Single : A 49 GLN : amide:sc= 0.727 K(o=0.73,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -83:sc= 1.18 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.284 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.44 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.00075) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.071 52.028 19.671 1.00 0.00 N ATOM 2 CA MET A 1 33.161 52.070 21.138 1.00 0.00 C ATOM 3 C MET A 1 34.600 52.364 21.565 1.00 0.00 C ATOM 4 O MET A 1 35.538 51.846 20.961 1.00 0.00 O ATOM 5 CB MET A 1 32.583 50.838 21.830 1.00 0.00 C ATOM 6 CG MET A 1 33.477 49.604 21.907 1.00 0.00 C ATOM 7 SD MET A 1 32.784 48.283 22.930 1.00 0.00 S ATOM 8 CE MET A 1 34.127 47.071 22.878 1.00 0.00 C ATOM 0 H1 MET A 1 32.088 52.202 19.378 1.00 0.00 H new ATOM 0 H2 MET A 1 33.688 52.760 19.264 1.00 0.00 H new ATOM 0 H3 MET A 1 33.373 51.093 19.331 1.00 0.00 H new ATOM 0 HA MET A 1 32.524 52.888 21.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.305 51.119 22.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.664 50.559 21.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.647 49.223 20.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.449 49.892 22.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.850 46.195 23.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.308 46.773 21.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.033 47.514 23.292 1.00 0.00 H new ATOM 20 N GLN A 2 34.768 53.164 22.614 1.00 0.00 N ATOM 21 CA GLN A 2 36.063 53.607 23.090 1.00 0.00 C ATOM 22 C GLN A 2 36.704 52.592 24.039 1.00 0.00 C ATOM 23 O GLN A 2 36.027 52.072 24.921 1.00 0.00 O ATOM 24 CB GLN A 2 35.859 54.967 23.750 1.00 0.00 C ATOM 25 CG GLN A 2 37.147 55.677 24.155 1.00 0.00 C ATOM 26 CD GLN A 2 36.835 57.090 24.651 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.631 57.337 25.838 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.711 58.059 23.748 1.00 0.00 N ATOM 0 H GLN A 2 33.989 53.526 23.164 1.00 0.00 H new ATOM 0 HA GLN A 2 36.762 53.696 22.258 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.306 55.609 23.065 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.238 54.836 24.636 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.652 55.112 24.938 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.828 55.724 23.305 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.879 57.861 22.761 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.448 59.000 24.042 1.00 0.00 H new ATOM 37 N ILE A 3 38.008 52.357 23.910 1.00 0.00 N ATOM 38 CA ILE A 3 38.832 51.668 24.881 1.00 0.00 C ATOM 39 C ILE A 3 40.176 52.375 25.066 1.00 0.00 C ATOM 40 O ILE A 3 40.576 53.185 24.232 1.00 0.00 O ATOM 41 CB ILE A 3 39.028 50.192 24.546 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.796 49.984 23.243 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.708 49.426 24.565 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.261 48.551 23.004 1.00 0.00 C ATOM 0 H ILE A 3 38.534 52.657 23.089 1.00 0.00 H new ATOM 0 HA ILE A 3 38.293 51.704 25.828 1.00 0.00 H new ATOM 0 HB ILE A 3 39.651 49.774 25.336 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.163 50.291 22.410 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.666 50.640 23.240 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.891 48.379 24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.262 49.495 25.557 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.027 49.856 23.830 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.797 48.496 22.057 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.923 48.243 23.814 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.396 47.889 22.971 1.00 0.00 H new ATOM 56 N PHE A 4 40.904 52.023 26.122 1.00 0.00 N ATOM 57 CA PHE A 4 42.234 52.518 26.414 1.00 0.00 C ATOM 58 C PHE A 4 43.253 51.382 26.527 1.00 0.00 C ATOM 59 O PHE A 4 42.929 50.284 26.974 1.00 0.00 O ATOM 60 CB PHE A 4 42.217 53.346 27.696 1.00 0.00 C ATOM 61 CG PHE A 4 41.172 54.434 27.760 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.127 55.439 26.786 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.236 54.444 28.801 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.150 56.439 26.841 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.267 55.452 28.866 1.00 0.00 C ATOM 66 CZ PHE A 4 39.212 56.443 27.879 1.00 0.00 C ATOM 0 H PHE A 4 40.566 51.360 26.820 1.00 0.00 H new ATOM 0 HA PHE A 4 42.542 53.151 25.582 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.066 52.672 28.540 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.198 53.802 27.825 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.852 55.442 25.986 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.262 53.672 29.556 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.120 57.207 26.083 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.559 55.465 29.681 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.449 57.207 27.919 1.00 0.00 H new ATOM 76 N VAL A 5 44.503 51.647 26.163 1.00 0.00 N ATOM 77 CA VAL A 5 45.613 50.721 26.268 1.00 0.00 C ATOM 78 C VAL A 5 46.810 51.417 26.919 1.00 0.00 C ATOM 79 O VAL A 5 47.267 52.443 26.418 1.00 0.00 O ATOM 80 CB VAL A 5 45.984 50.149 24.901 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.076 49.091 25.032 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.800 49.497 24.195 1.00 0.00 C ATOM 0 H VAL A 5 44.776 52.549 25.772 1.00 0.00 H new ATOM 0 HA VAL A 5 45.311 49.884 26.898 1.00 0.00 H new ATOM 0 HB VAL A 5 46.330 50.998 24.312 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.323 48.699 24.045 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.965 49.538 25.477 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.722 48.279 25.667 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.122 49.108 23.229 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.417 48.680 24.806 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.014 50.237 24.045 1.00 0.00 H new ATOM 92 N LYS A 6 47.325 50.866 28.014 1.00 0.00 N ATOM 93 CA LYS A 6 48.495 51.344 28.724 1.00 0.00 C ATOM 94 C LYS A 6 49.714 50.473 28.414 1.00 0.00 C ATOM 95 O LYS A 6 49.659 49.257 28.586 1.00 0.00 O ATOM 96 CB LYS A 6 48.239 51.390 30.227 1.00 0.00 C ATOM 97 CG LYS A 6 47.166 52.408 30.603 1.00 0.00 C ATOM 98 CD LYS A 6 47.049 52.609 32.110 1.00 0.00 C ATOM 99 CE LYS A 6 46.575 51.356 32.840 1.00 0.00 C ATOM 100 NZ LYS A 6 46.547 51.561 34.296 1.00 0.00 N ATOM 0 H LYS A 6 46.916 50.037 28.446 1.00 0.00 H new ATOM 0 HA LYS A 6 48.703 52.358 28.382 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.935 50.402 30.572 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.167 51.636 30.744 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.395 53.363 30.130 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.205 52.079 30.209 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.018 52.911 32.508 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.354 53.425 32.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.579 51.084 32.490 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.235 50.522 32.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.221 50.691 34.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.503 51.796 34.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.898 52.341 34.524 1.00 0.00 H new ATOM 114 N THR A 7 50.818 51.081 27.990 1.00 0.00 N ATOM 115 CA THR A 7 52.056 50.419 27.631 1.00 0.00 C ATOM 116 C THR A 7 53.122 50.712 28.689 1.00 0.00 C ATOM 117 O THR A 7 53.289 51.869 29.068 1.00 0.00 O ATOM 118 CB THR A 7 52.564 50.887 26.270 1.00 0.00 C ATOM 119 OG1 THR A 7 51.503 51.081 25.361 1.00 0.00 O ATOM 120 CG2 THR A 7 53.532 49.885 25.648 1.00 0.00 C ATOM 0 H THR A 7 50.870 52.094 27.885 1.00 0.00 H new ATOM 0 HA THR A 7 51.860 49.348 27.578 1.00 0.00 H new ATOM 0 HB THR A 7 53.079 51.830 26.453 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.056 51.931 25.556 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.869 50.257 24.681 1.00 0.00 H new ATOM 0 HG22 THR A 7 54.391 49.753 26.305 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.028 48.928 25.513 1.00 0.00 H new ATOM 128 N LEU A 8 53.876 49.715 29.143 1.00 0.00 N ATOM 129 CA LEU A 8 54.788 49.853 30.260 1.00 0.00 C ATOM 130 C LEU A 8 56.041 50.669 29.936 1.00 0.00 C ATOM 131 O LEU A 8 56.835 50.975 30.824 1.00 0.00 O ATOM 132 CB LEU A 8 55.103 48.492 30.872 1.00 0.00 C ATOM 133 CG LEU A 8 53.952 47.811 31.607 1.00 0.00 C ATOM 134 CD1 LEU A 8 52.847 47.281 30.697 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.488 46.608 32.379 1.00 0.00 C ATOM 0 H LEU A 8 53.866 48.780 28.736 1.00 0.00 H new ATOM 0 HA LEU A 8 54.273 50.444 31.017 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.445 47.828 30.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.933 48.611 31.568 1.00 0.00 H new ATOM 0 HG LEU A 8 53.525 48.583 32.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.070 46.813 31.302 1.00 0.00 H new ATOM 0 HD12 LEU A 8 52.417 48.106 30.129 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.264 46.545 30.009 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.668 46.119 32.905 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.944 45.903 31.684 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.234 46.941 33.100 1.00 0.00 H new ATOM 147 N THR A 9 56.183 51.127 28.696 1.00 0.00 N ATOM 148 CA THR A 9 57.059 52.195 28.256 1.00 0.00 C ATOM 149 C THR A 9 56.649 53.583 28.753 1.00 0.00 C ATOM 150 O THR A 9 57.353 54.558 28.503 1.00 0.00 O ATOM 151 CB THR A 9 57.077 52.245 26.731 1.00 0.00 C ATOM 152 OG1 THR A 9 55.771 52.471 26.252 1.00 0.00 O ATOM 153 CG2 THR A 9 57.564 50.964 26.060 1.00 0.00 C ATOM 0 H THR A 9 55.650 50.730 27.922 1.00 0.00 H new ATOM 0 HA THR A 9 58.037 51.964 28.678 1.00 0.00 H new ATOM 0 HB THR A 9 57.774 53.046 26.484 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.783 52.505 25.273 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.544 51.090 24.977 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.583 50.750 26.381 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.913 50.136 26.341 1.00 0.00 H new ATOM 161 N GLY A 10 55.509 53.700 29.428 1.00 0.00 N ATOM 162 CA GLY A 10 54.922 54.944 29.885 1.00 0.00 C ATOM 163 C GLY A 10 54.015 55.626 28.858 1.00 0.00 C ATOM 164 O GLY A 10 53.886 56.848 28.896 1.00 0.00 O ATOM 0 H GLY A 10 54.947 52.887 29.680 1.00 0.00 H new ATOM 0 HA2 GLY A 10 54.346 54.750 30.789 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.723 55.631 30.159 1.00 0.00 H new ATOM 168 N LYS A 11 53.424 54.880 27.930 1.00 0.00 N ATOM 169 CA LYS A 11 52.652 55.389 26.815 1.00 0.00 C ATOM 170 C LYS A 11 51.223 54.844 26.800 1.00 0.00 C ATOM 171 O LYS A 11 51.032 53.630 26.802 1.00 0.00 O ATOM 172 CB LYS A 11 53.405 55.069 25.526 1.00 0.00 C ATOM 173 CG LYS A 11 52.740 55.616 24.265 1.00 0.00 C ATOM 174 CD LYS A 11 53.651 55.395 23.061 1.00 0.00 C ATOM 175 CE LYS A 11 53.020 55.915 21.772 1.00 0.00 C ATOM 176 NZ LYS A 11 53.986 55.902 20.663 1.00 0.00 N ATOM 0 H LYS A 11 53.476 53.861 27.940 1.00 0.00 H new ATOM 0 HA LYS A 11 52.544 56.469 26.914 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.414 55.474 25.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.502 53.987 25.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.783 55.120 24.104 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.532 56.679 24.385 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.604 55.898 23.228 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.866 54.331 22.958 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.157 55.301 21.513 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.654 56.930 21.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.478 55.978 19.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.639 56.705 20.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.525 55.013 20.683 1.00 0.00 H new ATOM 190 N THR A 12 50.226 55.722 26.728 1.00 0.00 N ATOM 191 CA THR A 12 48.818 55.386 26.667 1.00 0.00 C ATOM 192 C THR A 12 48.259 55.645 25.266 1.00 0.00 C ATOM 193 O THR A 12 48.655 56.602 24.604 1.00 0.00 O ATOM 194 CB THR A 12 48.014 56.149 27.716 1.00 0.00 C ATOM 195 OG1 THR A 12 48.627 56.053 28.981 1.00 0.00 O ATOM 196 CG2 THR A 12 46.601 55.600 27.889 1.00 0.00 C ATOM 0 H THR A 12 50.391 56.728 26.710 1.00 0.00 H new ATOM 0 HA THR A 12 48.724 54.322 26.886 1.00 0.00 H new ATOM 0 HB THR A 12 47.974 57.177 27.357 1.00 0.00 H new ATOM 0 HG1 THR A 12 48.098 56.550 29.639 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.075 56.181 28.647 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.065 55.670 26.942 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.652 54.557 28.201 1.00 0.00 H new ATOM 204 N ILE A 13 47.335 54.805 24.810 1.00 0.00 N ATOM 205 CA ILE A 13 46.683 54.872 23.518 1.00 0.00 C ATOM 206 C ILE A 13 45.173 54.753 23.728 1.00 0.00 C ATOM 207 O ILE A 13 44.721 53.789 24.343 1.00 0.00 O ATOM 208 CB ILE A 13 47.191 53.774 22.589 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.713 53.711 22.485 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.584 53.935 21.197 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.268 52.526 21.701 1.00 0.00 C ATOM 0 H ILE A 13 47.007 54.017 25.368 1.00 0.00 H new ATOM 0 HA ILE A 13 46.914 55.826 23.043 1.00 0.00 H new ATOM 0 HB ILE A 13 46.871 52.832 23.034 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.066 54.631 22.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.128 53.684 23.493 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.955 53.145 20.545 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.498 53.870 21.264 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.865 54.905 20.788 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.357 52.576 21.688 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.953 51.596 22.175 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.891 52.557 20.679 1.00 0.00 H new ATOM 223 N THR A 14 44.379 55.669 23.181 1.00 0.00 N ATOM 224 CA THR A 14 42.947 55.506 23.033 1.00 0.00 C ATOM 225 C THR A 14 42.649 54.855 21.680 1.00 0.00 C ATOM 226 O THR A 14 43.264 55.229 20.684 1.00 0.00 O ATOM 227 CB THR A 14 42.200 56.831 23.147 1.00 0.00 C ATOM 228 OG1 THR A 14 42.490 57.436 24.388 1.00 0.00 O ATOM 229 CG2 THR A 14 40.684 56.665 23.094 1.00 0.00 C ATOM 0 H THR A 14 44.725 56.559 22.824 1.00 0.00 H new ATOM 0 HA THR A 14 42.598 54.868 23.845 1.00 0.00 H new ATOM 0 HB THR A 14 42.528 57.434 22.300 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.924 57.042 25.084 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.208 57.642 23.180 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.401 56.205 22.147 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.359 56.029 23.917 1.00 0.00 H new ATOM 237 N LEU A 15 41.731 53.894 21.635 1.00 0.00 N ATOM 238 CA LEU A 15 41.303 53.233 20.418 1.00 0.00 C ATOM 239 C LEU A 15 39.781 53.248 20.267 1.00 0.00 C ATOM 240 O LEU A 15 39.041 53.175 21.247 1.00 0.00 O ATOM 241 CB LEU A 15 41.819 51.798 20.382 1.00 0.00 C ATOM 242 CG LEU A 15 43.333 51.617 20.419 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.660 50.132 20.554 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.028 52.126 19.159 1.00 0.00 C ATOM 0 H LEU A 15 41.255 53.548 22.468 1.00 0.00 H new ATOM 0 HA LEU A 15 41.725 53.788 19.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.391 51.260 21.228 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.441 51.322 19.477 1.00 0.00 H new ATOM 0 HG LEU A 15 43.693 52.198 21.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.741 49.999 20.581 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.224 49.746 21.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.249 49.590 19.703 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.103 51.969 19.248 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.652 51.583 18.292 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.826 53.190 19.037 1.00 0.00 H new ATOM 256 N GLU A 16 39.335 53.255 19.014 1.00 0.00 N ATOM 257 CA GLU A 16 37.992 52.887 18.616 1.00 0.00 C ATOM 258 C GLU A 16 37.960 51.439 18.121 1.00 0.00 C ATOM 259 O GLU A 16 38.787 51.017 17.317 1.00 0.00 O ATOM 260 CB GLU A 16 37.457 53.847 17.556 1.00 0.00 C ATOM 261 CG GLU A 16 36.888 55.136 18.140 1.00 0.00 C ATOM 262 CD GLU A 16 35.543 54.961 18.849 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.869 53.921 18.687 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.110 55.902 19.549 1.00 0.00 O ATOM 0 H GLU A 16 39.923 53.527 18.226 1.00 0.00 H new ATOM 0 HA GLU A 16 37.340 52.961 19.487 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.260 54.095 16.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.681 53.344 16.979 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.607 55.551 18.846 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.772 55.865 17.338 1.00 0.00 H new ATOM 271 N VAL A 17 37.008 50.672 18.644 1.00 0.00 N ATOM 272 CA VAL A 17 36.767 49.264 18.395 1.00 0.00 C ATOM 273 C VAL A 17 35.262 48.990 18.360 1.00 0.00 C ATOM 274 O VAL A 17 34.463 49.894 18.592 1.00 0.00 O ATOM 275 CB VAL A 17 37.451 48.400 19.450 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.968 48.560 19.452 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.936 48.668 20.862 1.00 0.00 C ATOM 0 H VAL A 17 36.333 51.055 19.306 1.00 0.00 H new ATOM 0 HA VAL A 17 37.193 49.004 17.426 1.00 0.00 H new ATOM 0 HB VAL A 17 37.199 47.378 19.167 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.400 47.922 20.223 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.365 48.273 18.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.224 49.600 19.656 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.460 48.024 21.569 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.113 49.712 21.122 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.867 48.460 20.905 1.00 0.00 H new ATOM 287 N GLU A 18 34.850 47.744 18.142 1.00 0.00 N ATOM 288 CA GLU A 18 33.490 47.292 18.360 1.00 0.00 C ATOM 289 C GLU A 18 33.461 45.973 19.133 1.00 0.00 C ATOM 290 O GLU A 18 34.467 45.266 19.146 1.00 0.00 O ATOM 291 CB GLU A 18 32.722 47.233 17.042 1.00 0.00 C ATOM 292 CG GLU A 18 33.238 46.208 16.036 1.00 0.00 C ATOM 293 CD GLU A 18 32.313 46.136 14.820 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.391 45.292 14.823 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.492 46.921 13.864 1.00 0.00 O ATOM 0 H GLU A 18 35.470 47.009 17.802 1.00 0.00 H new ATOM 0 HA GLU A 18 32.976 48.020 18.988 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.677 47.012 17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.750 48.219 16.579 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.245 46.477 15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.304 45.228 16.508 1.00 0.00 H new ATOM 302 N PRO A 19 32.360 45.589 19.771 1.00 0.00 N ATOM 303 CA PRO A 19 32.260 44.333 20.487 1.00 0.00 C ATOM 304 C PRO A 19 32.613 43.077 19.686 1.00 0.00 C ATOM 305 O PRO A 19 33.025 42.077 20.269 1.00 0.00 O ATOM 306 CB PRO A 19 30.821 44.269 20.988 1.00 0.00 C ATOM 307 CG PRO A 19 30.467 45.740 21.199 1.00 0.00 C ATOM 308 CD PRO A 19 31.192 46.407 20.034 1.00 0.00 C ATOM 0 HA PRO A 19 33.004 44.328 21.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.161 43.795 20.261 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.740 43.697 21.913 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.391 45.911 21.162 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.816 46.110 22.163 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.549 46.464 19.155 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.479 47.428 20.286 1.00 0.00 H new ATOM 316 N SER A 20 32.485 43.102 18.362 1.00 0.00 N ATOM 317 CA SER A 20 32.830 42.013 17.471 1.00 0.00 C ATOM 318 C SER A 20 34.204 42.161 16.815 1.00 0.00 C ATOM 319 O SER A 20 34.515 41.415 15.889 1.00 0.00 O ATOM 320 CB SER A 20 31.745 41.795 16.421 1.00 0.00 C ATOM 321 OG SER A 20 30.453 41.886 16.979 1.00 0.00 O ATOM 0 H SER A 20 32.123 43.917 17.867 1.00 0.00 H new ATOM 0 HA SER A 20 32.894 41.126 18.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.852 42.535 15.628 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.875 40.815 15.962 1.00 0.00 H new ATOM 0 HG SER A 20 29.783 41.743 16.278 1.00 0.00 H new ATOM 327 N ASP A 21 35.028 43.114 17.240 1.00 0.00 N ATOM 328 CA ASP A 21 36.368 43.319 16.727 1.00 0.00 C ATOM 329 C ASP A 21 37.333 42.261 17.266 1.00 0.00 C ATOM 330 O ASP A 21 37.187 41.820 18.404 1.00 0.00 O ATOM 331 CB ASP A 21 36.833 44.739 17.037 1.00 0.00 C ATOM 332 CG ASP A 21 37.939 45.269 16.122 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.055 44.778 14.979 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.609 46.258 16.490 1.00 0.00 O ATOM 0 H ASP A 21 34.771 43.779 17.969 1.00 0.00 H new ATOM 0 HA ASP A 21 36.355 43.203 15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.976 45.409 16.972 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.187 44.773 18.067 1.00 0.00 H new ATOM 339 N THR A 22 38.310 41.834 16.470 1.00 0.00 N ATOM 340 CA THR A 22 39.248 40.786 16.816 1.00 0.00 C ATOM 341 C THR A 22 40.491 41.318 17.531 1.00 0.00 C ATOM 342 O THR A 22 40.927 42.442 17.294 1.00 0.00 O ATOM 343 CB THR A 22 39.682 39.964 15.606 1.00 0.00 C ATOM 344 OG1 THR A 22 40.397 40.773 14.699 1.00 0.00 O ATOM 345 CG2 THR A 22 38.520 39.313 14.861 1.00 0.00 C ATOM 0 H THR A 22 38.470 42.223 15.541 1.00 0.00 H new ATOM 0 HA THR A 22 38.702 40.139 17.502 1.00 0.00 H new ATOM 0 HB THR A 22 40.310 39.165 16.000 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.672 40.235 13.927 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.904 38.745 14.013 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.986 38.643 15.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.840 40.085 14.502 1.00 0.00 H new ATOM 353 N ILE A 23 41.124 40.487 18.355 1.00 0.00 N ATOM 354 CA ILE A 23 42.357 40.836 19.030 1.00 0.00 C ATOM 355 C ILE A 23 43.479 41.145 18.037 1.00 0.00 C ATOM 356 O ILE A 23 44.203 42.119 18.230 1.00 0.00 O ATOM 357 CB ILE A 23 42.725 39.748 20.035 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.705 39.612 21.160 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.124 39.933 20.617 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.560 40.808 22.097 1.00 0.00 C ATOM 0 H ILE A 23 40.788 39.548 18.570 1.00 0.00 H new ATOM 0 HA ILE A 23 42.206 41.759 19.590 1.00 0.00 H new ATOM 0 HB ILE A 23 42.717 38.821 19.462 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.731 39.408 20.715 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.971 38.740 21.758 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.332 39.131 21.325 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.859 39.907 19.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.181 40.893 21.129 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.806 40.589 22.853 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.515 41.007 22.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.256 41.684 21.524 1.00 0.00 H new ATOM 372 N GLU A 24 43.591 40.407 16.936 1.00 0.00 N ATOM 373 CA GLU A 24 44.542 40.727 15.889 1.00 0.00 C ATOM 374 C GLU A 24 44.263 42.080 15.229 1.00 0.00 C ATOM 375 O GLU A 24 45.209 42.825 14.980 1.00 0.00 O ATOM 376 CB GLU A 24 44.575 39.603 14.859 1.00 0.00 C ATOM 377 CG GLU A 24 45.691 39.715 13.824 1.00 0.00 C ATOM 378 CD GLU A 24 47.043 39.241 14.361 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.669 39.940 15.188 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.517 38.166 13.932 1.00 0.00 O ATOM 0 H GLU A 24 43.027 39.577 16.750 1.00 0.00 H new ATOM 0 HA GLU A 24 45.525 40.816 16.352 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.678 38.653 15.383 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.617 39.578 14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.427 39.126 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.777 40.752 13.499 1.00 0.00 H new ATOM 387 N ASN A 25 43.008 42.455 14.998 1.00 0.00 N ATOM 388 CA ASN A 25 42.690 43.752 14.435 1.00 0.00 C ATOM 389 C ASN A 25 42.940 44.900 15.416 1.00 0.00 C ATOM 390 O ASN A 25 43.425 45.953 15.007 1.00 0.00 O ATOM 391 CB ASN A 25 41.266 43.741 13.888 1.00 0.00 C ATOM 392 CG ASN A 25 41.010 44.950 12.987 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.668 45.131 11.965 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.036 45.793 13.319 1.00 0.00 N ATOM 0 H ASN A 25 42.195 41.872 15.195 1.00 0.00 H new ATOM 0 HA ASN A 25 43.371 43.940 13.605 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.097 42.823 13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.556 43.744 14.715 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.831 46.596 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.494 45.637 14.169 1.00 0.00 H new ATOM 401 N VAL A 26 42.740 44.698 16.715 1.00 0.00 N ATOM 402 CA VAL A 26 43.156 45.637 17.738 1.00 0.00 C ATOM 403 C VAL A 26 44.674 45.827 17.734 1.00 0.00 C ATOM 404 O VAL A 26 45.147 46.962 17.726 1.00 0.00 O ATOM 405 CB VAL A 26 42.632 45.238 19.114 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.165 46.127 20.233 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.110 45.348 19.152 1.00 0.00 C ATOM 0 H VAL A 26 42.279 43.867 17.085 1.00 0.00 H new ATOM 0 HA VAL A 26 42.711 46.603 17.500 1.00 0.00 H new ATOM 0 HB VAL A 26 42.972 44.215 19.274 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.757 45.794 21.188 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.253 46.064 20.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.866 47.159 20.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.749 45.060 20.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.814 46.376 18.943 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.679 44.686 18.401 1.00 0.00 H new ATOM 417 N LYS A 27 45.452 44.752 17.635 1.00 0.00 N ATOM 418 CA LYS A 27 46.892 44.818 17.495 1.00 0.00 C ATOM 419 C LYS A 27 47.323 45.510 16.200 1.00 0.00 C ATOM 420 O LYS A 27 48.305 46.248 16.203 1.00 0.00 O ATOM 421 CB LYS A 27 47.475 43.410 17.577 1.00 0.00 C ATOM 422 CG LYS A 27 47.347 42.768 18.955 1.00 0.00 C ATOM 423 CD LYS A 27 47.538 41.254 18.915 1.00 0.00 C ATOM 424 CE LYS A 27 48.957 40.867 18.511 1.00 0.00 C ATOM 425 NZ LYS A 27 48.976 39.675 17.648 1.00 0.00 N ATOM 0 H LYS A 27 45.088 43.799 17.651 1.00 0.00 H new ATOM 0 HA LYS A 27 47.281 45.425 18.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.975 42.777 16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.529 43.447 17.300 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.085 43.206 19.626 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.365 42.996 19.369 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.313 40.834 19.896 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.829 40.818 18.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.426 41.701 17.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.550 40.677 19.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.959 39.435 17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.536 38.877 18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.446 39.870 16.775 1.00 0.00 H new ATOM 439 N ALA A 28 46.572 45.342 15.114 1.00 0.00 N ATOM 440 CA ALA A 28 46.814 45.993 13.843 1.00 0.00 C ATOM 441 C ALA A 28 46.556 47.502 13.891 1.00 0.00 C ATOM 442 O ALA A 28 47.305 48.276 13.300 1.00 0.00 O ATOM 443 CB ALA A 28 45.956 45.329 12.770 1.00 0.00 C ATOM 0 H ALA A 28 45.756 44.730 15.101 1.00 0.00 H new ATOM 0 HA ALA A 28 47.870 45.875 13.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.133 45.814 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.218 44.273 12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.903 45.424 13.036 1.00 0.00 H new ATOM 449 N LYS A 29 45.546 47.943 14.635 1.00 0.00 N ATOM 450 CA LYS A 29 45.297 49.342 14.918 1.00 0.00 C ATOM 451 C LYS A 29 46.456 49.954 15.708 1.00 0.00 C ATOM 452 O LYS A 29 46.936 51.025 15.345 1.00 0.00 O ATOM 453 CB LYS A 29 43.976 49.510 15.661 1.00 0.00 C ATOM 454 CG LYS A 29 42.753 49.247 14.785 1.00 0.00 C ATOM 455 CD LYS A 29 41.502 49.096 15.645 1.00 0.00 C ATOM 456 CE LYS A 29 40.272 48.942 14.756 1.00 0.00 C ATOM 457 NZ LYS A 29 39.041 48.787 15.545 1.00 0.00 N ATOM 0 H LYS A 29 44.865 47.318 15.066 1.00 0.00 H new ATOM 0 HA LYS A 29 45.223 49.876 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.957 48.830 16.513 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.918 50.523 16.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.620 50.068 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.908 48.343 14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.601 48.227 16.296 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.387 49.967 16.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.181 49.814 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.399 48.075 14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.217 48.804 14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.067 47.880 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.967 49.566 16.230 1.00 0.00 H new ATOM 471 N ILE A 30 46.967 49.247 16.712 1.00 0.00 N ATOM 472 CA ILE A 30 48.127 49.651 17.480 1.00 0.00 C ATOM 473 C ILE A 30 49.372 49.763 16.597 1.00 0.00 C ATOM 474 O ILE A 30 50.135 50.716 16.746 1.00 0.00 O ATOM 475 CB ILE A 30 48.326 48.727 18.679 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.183 48.894 19.675 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.663 48.965 19.376 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.093 47.798 20.733 1.00 0.00 C ATOM 0 H ILE A 30 46.572 48.357 17.016 1.00 0.00 H new ATOM 0 HA ILE A 30 47.951 50.651 17.877 1.00 0.00 H new ATOM 0 HB ILE A 30 48.331 47.706 18.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.294 49.856 20.176 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.242 48.927 19.125 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.758 48.284 20.222 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.477 48.786 18.673 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.710 49.994 19.731 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.252 48.000 21.396 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.948 46.834 20.246 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.015 47.776 21.314 1.00 0.00 H new ATOM 490 N GLN A 31 49.570 48.865 15.636 1.00 0.00 N ATOM 491 CA GLN A 31 50.670 48.963 14.698 1.00 0.00 C ATOM 492 C GLN A 31 50.532 50.146 13.738 1.00 0.00 C ATOM 493 O GLN A 31 51.497 50.889 13.568 1.00 0.00 O ATOM 494 CB GLN A 31 50.865 47.663 13.922 1.00 0.00 C ATOM 495 CG GLN A 31 52.165 47.725 13.127 1.00 0.00 C ATOM 496 CD GLN A 31 52.517 46.421 12.408 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.654 45.644 12.007 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.802 46.119 12.254 1.00 0.00 N ATOM 0 H GLN A 31 48.970 48.053 15.491 1.00 0.00 H new ATOM 0 HA GLN A 31 51.560 49.143 15.301 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.889 46.818 14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.024 47.501 13.248 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.091 48.525 12.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.980 47.987 13.802 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.520 46.762 12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.070 45.244 11.804 1.00 0.00 H new ATOM 507 N ASP A 32 49.382 50.355 13.105 1.00 0.00 N ATOM 508 CA ASP A 32 49.222 51.457 12.176 1.00 0.00 C ATOM 509 C ASP A 32 49.319 52.819 12.866 1.00 0.00 C ATOM 510 O ASP A 32 49.912 53.744 12.315 1.00 0.00 O ATOM 511 CB ASP A 32 47.921 51.288 11.396 1.00 0.00 C ATOM 512 CG ASP A 32 47.851 52.264 10.220 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.675 52.154 9.286 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.960 53.140 10.228 1.00 0.00 O ATOM 0 H ASP A 32 48.551 49.774 13.221 1.00 0.00 H new ATOM 0 HA ASP A 32 50.050 51.433 11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.845 50.265 11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.072 51.452 12.060 1.00 0.00 H new ATOM 519 N LYS A 33 48.809 52.923 14.090 1.00 0.00 N ATOM 520 CA LYS A 33 48.817 54.130 14.892 1.00 0.00 C ATOM 521 C LYS A 33 50.167 54.426 15.548 1.00 0.00 C ATOM 522 O LYS A 33 50.606 55.572 15.489 1.00 0.00 O ATOM 523 CB LYS A 33 47.664 54.051 15.888 1.00 0.00 C ATOM 524 CG LYS A 33 47.293 55.396 16.507 1.00 0.00 C ATOM 525 CD LYS A 33 45.995 55.281 17.303 1.00 0.00 C ATOM 526 CE LYS A 33 45.574 56.636 17.864 1.00 0.00 C ATOM 527 NZ LYS A 33 44.237 56.581 18.476 1.00 0.00 N ATOM 0 H LYS A 33 48.364 52.136 14.563 1.00 0.00 H new ATOM 0 HA LYS A 33 48.667 54.988 14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.789 53.639 15.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.931 53.356 16.684 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.097 55.736 17.159 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.180 56.145 15.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.205 54.888 16.663 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.127 54.571 18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.301 56.964 18.607 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.578 57.378 17.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.957 57.534 18.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.551 56.227 17.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.257 55.943 19.297 1.00 0.00 H new ATOM 541 N GLU A 34 50.835 53.447 16.151 1.00 0.00 N ATOM 542 CA GLU A 34 52.015 53.651 16.967 1.00 0.00 C ATOM 543 C GLU A 34 53.192 52.714 16.687 1.00 0.00 C ATOM 544 O GLU A 34 54.202 52.753 17.386 1.00 0.00 O ATOM 545 CB GLU A 34 51.623 53.643 18.442 1.00 0.00 C ATOM 546 CG GLU A 34 50.652 54.744 18.860 1.00 0.00 C ATOM 547 CD GLU A 34 51.157 56.162 18.587 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.385 56.379 18.500 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.336 57.102 18.537 1.00 0.00 O ATOM 0 H GLU A 34 50.559 52.468 16.080 1.00 0.00 H new ATOM 0 HA GLU A 34 52.404 54.629 16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.176 52.677 18.678 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.528 53.731 19.043 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.708 54.599 18.335 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.443 54.644 19.925 1.00 0.00 H new ATOM 556 N GLY A 35 53.113 51.878 15.656 1.00 0.00 N ATOM 557 CA GLY A 35 54.259 51.216 15.067 1.00 0.00 C ATOM 558 C GLY A 35 54.786 49.962 15.769 1.00 0.00 C ATOM 559 O GLY A 35 55.836 49.457 15.376 1.00 0.00 O ATOM 0 H GLY A 35 52.231 51.641 15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.002 50.946 14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.073 51.938 15.011 1.00 0.00 H new ATOM 563 N ILE A 36 54.102 49.428 16.776 1.00 0.00 N ATOM 564 CA ILE A 36 54.561 48.295 17.553 1.00 0.00 C ATOM 565 C ILE A 36 54.220 46.999 16.815 1.00 0.00 C ATOM 566 O ILE A 36 53.038 46.780 16.559 1.00 0.00 O ATOM 567 CB ILE A 36 53.982 48.330 18.964 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.243 49.670 19.646 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.565 47.194 19.798 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.562 49.848 21.001 1.00 0.00 C ATOM 0 H ILE A 36 53.194 49.783 17.077 1.00 0.00 H new ATOM 0 HA ILE A 36 55.644 48.344 17.664 1.00 0.00 H new ATOM 0 HB ILE A 36 52.902 48.202 18.884 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.318 49.790 19.778 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.912 50.469 18.982 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.145 47.228 20.803 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.319 46.239 19.334 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.648 47.302 19.853 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.807 50.830 21.405 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.482 49.765 20.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.910 49.076 21.687 1.00 0.00 H new ATOM 582 N PRO A 37 55.154 46.117 16.472 1.00 0.00 N ATOM 583 CA PRO A 37 54.858 44.920 15.711 1.00 0.00 C ATOM 584 C PRO A 37 53.929 43.946 16.439 1.00 0.00 C ATOM 585 O PRO A 37 54.232 43.581 17.572 1.00 0.00 O ATOM 586 CB PRO A 37 56.196 44.267 15.376 1.00 0.00 C ATOM 587 CG PRO A 37 57.180 45.431 15.448 1.00 0.00 C ATOM 588 CD PRO A 37 56.591 46.280 16.571 1.00 0.00 C ATOM 0 HA PRO A 37 54.311 45.195 14.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.450 43.481 16.087 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.184 43.810 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.191 45.096 15.678 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.232 45.979 14.507 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.956 45.951 17.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.875 47.327 16.461 1.00 0.00 H new ATOM 596 N PRO A 38 52.836 43.475 15.846 1.00 0.00 N ATOM 597 CA PRO A 38 51.894 42.571 16.476 1.00 0.00 C ATOM 598 C PRO A 38 52.451 41.245 17.000 1.00 0.00 C ATOM 599 O PRO A 38 51.843 40.672 17.902 1.00 0.00 O ATOM 600 CB PRO A 38 50.802 42.321 15.439 1.00 0.00 C ATOM 601 CG PRO A 38 50.772 43.629 14.653 1.00 0.00 C ATOM 602 CD PRO A 38 52.252 43.997 14.627 1.00 0.00 C ATOM 0 HA PRO A 38 51.541 43.052 17.388 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.039 41.471 14.799 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.841 42.109 15.907 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.364 43.497 13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.168 44.391 15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.741 43.571 13.751 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.380 45.078 14.569 1.00 0.00 H new ATOM 610 N ASP A 39 53.589 40.760 16.510 1.00 0.00 N ATOM 611 CA ASP A 39 54.250 39.602 17.077 1.00 0.00 C ATOM 612 C ASP A 39 55.017 39.917 18.362 1.00 0.00 C ATOM 613 O ASP A 39 55.254 39.021 19.169 1.00 0.00 O ATOM 614 CB ASP A 39 55.167 38.991 16.021 1.00 0.00 C ATOM 615 CG ASP A 39 55.756 37.647 16.452 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.985 37.457 16.321 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.988 36.756 16.878 1.00 0.00 O ATOM 0 H ASP A 39 54.074 41.163 15.708 1.00 0.00 H new ATOM 0 HA ASP A 39 53.483 38.884 17.366 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.608 38.857 15.095 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.979 39.686 15.806 1.00 0.00 H new ATOM 622 N GLN A 40 55.380 41.175 18.594 1.00 0.00 N ATOM 623 CA GLN A 40 55.976 41.652 19.825 1.00 0.00 C ATOM 624 C GLN A 40 54.922 42.008 20.875 1.00 0.00 C ATOM 625 O GLN A 40 55.175 41.823 22.063 1.00 0.00 O ATOM 626 CB GLN A 40 56.911 42.827 19.556 1.00 0.00 C ATOM 627 CG GLN A 40 58.083 42.492 18.639 1.00 0.00 C ATOM 628 CD GLN A 40 59.099 43.624 18.471 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.297 44.484 19.326 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.846 43.651 17.371 1.00 0.00 N ATOM 0 H GLN A 40 55.260 41.913 17.900 1.00 0.00 H new ATOM 0 HA GLN A 40 56.568 40.835 20.237 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.337 43.640 19.112 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.300 43.193 20.506 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.597 41.615 19.032 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.694 42.221 17.657 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.706 42.951 16.642 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.559 44.372 17.256 1.00 0.00 H new ATOM 639 N GLN A 41 53.743 42.471 20.468 1.00 0.00 N ATOM 640 CA GLN A 41 52.627 42.808 21.329 1.00 0.00 C ATOM 641 C GLN A 41 52.004 41.587 22.007 1.00 0.00 C ATOM 642 O GLN A 41 51.803 40.564 21.357 1.00 0.00 O ATOM 643 CB GLN A 41 51.514 43.477 20.526 1.00 0.00 C ATOM 644 CG GLN A 41 51.828 44.797 19.827 1.00 0.00 C ATOM 645 CD GLN A 41 50.599 45.360 19.110 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.481 45.336 19.622 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.712 45.860 17.883 1.00 0.00 N ATOM 0 H GLN A 41 53.536 42.627 19.481 1.00 0.00 H new ATOM 0 HA GLN A 41 53.038 43.473 22.088 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.178 42.770 19.768 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.673 43.647 21.198 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.187 45.521 20.559 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.633 44.646 19.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.625 45.895 17.429 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.886 46.209 17.396 1.00 0.00 H new ATOM 656 N ARG A 42 51.568 41.720 23.257 1.00 0.00 N ATOM 657 CA ARG A 42 50.525 40.927 23.876 1.00 0.00 C ATOM 658 C ARG A 42 49.605 41.829 24.701 1.00 0.00 C ATOM 659 O ARG A 42 50.085 42.779 25.317 1.00 0.00 O ATOM 660 CB ARG A 42 51.103 39.829 24.765 1.00 0.00 C ATOM 661 CG ARG A 42 52.015 38.800 24.104 1.00 0.00 C ATOM 662 CD ARG A 42 51.296 37.892 23.111 1.00 0.00 C ATOM 663 NE ARG A 42 52.199 36.880 22.562 1.00 0.00 N ATOM 664 CZ ARG A 42 53.053 37.027 21.540 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.165 38.169 20.847 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.861 36.019 21.185 1.00 0.00 N ATOM 0 H ARG A 42 51.955 42.419 23.891 1.00 0.00 H new ATOM 0 HA ARG A 42 49.955 40.448 23.080 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.661 40.306 25.570 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.272 39.296 25.226 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.822 39.321 23.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.475 38.185 24.878 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.456 37.403 23.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.883 38.492 22.300 1.00 0.00 H new ATOM 0 HE ARG A 42 52.176 35.962 23.006 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.586 38.972 21.091 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.830 38.235 20.076 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.828 35.135 21.693 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.510 36.135 20.406 1.00 0.00 H new ATOM 680 N LEU A 43 48.304 41.555 24.730 1.00 0.00 N ATOM 681 CA LEU A 43 47.308 42.366 25.402 1.00 0.00 C ATOM 682 C LEU A 43 46.723 41.636 26.613 1.00 0.00 C ATOM 683 O LEU A 43 46.378 40.461 26.518 1.00 0.00 O ATOM 684 CB LEU A 43 46.200 42.774 24.435 1.00 0.00 C ATOM 685 CG LEU A 43 46.459 43.932 23.475 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.749 45.246 24.194 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.583 43.667 22.476 1.00 0.00 C ATOM 0 H LEU A 43 47.907 40.735 24.270 1.00 0.00 H new ATOM 0 HA LEU A 43 47.802 43.269 25.761 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.943 41.899 23.837 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.320 43.025 25.027 1.00 0.00 H new ATOM 0 HG LEU A 43 45.523 44.020 22.923 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.925 46.032 23.459 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.896 45.516 24.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.633 45.130 24.820 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.707 44.535 21.829 1.00 0.00 H new ATOM 0 HD22 LEU A 43 48.512 43.481 23.015 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.334 42.796 21.870 1.00 0.00 H new ATOM 699 N ILE A 44 46.570 42.353 27.724 1.00 0.00 N ATOM 700 CA ILE A 44 46.048 41.876 28.988 1.00 0.00 C ATOM 701 C ILE A 44 44.775 42.632 29.373 1.00 0.00 C ATOM 702 O ILE A 44 44.762 43.861 29.355 1.00 0.00 O ATOM 703 CB ILE A 44 47.071 41.981 30.114 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.526 41.693 29.756 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.643 41.113 31.294 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.813 40.262 29.311 1.00 0.00 C ATOM 0 H ILE A 44 46.824 43.340 27.761 1.00 0.00 H new ATOM 0 HA ILE A 44 45.813 40.821 28.849 1.00 0.00 H new ATOM 0 HB ILE A 44 47.068 43.040 30.370 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.829 42.372 28.959 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.148 41.919 30.622 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.380 41.195 32.092 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.673 41.449 31.660 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.570 40.074 30.974 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.873 40.159 29.079 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.548 39.572 30.112 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.223 40.032 28.424 1.00 0.00 H new ATOM 718 N PHE A 45 43.736 41.913 29.789 1.00 0.00 N ATOM 719 CA PHE A 45 42.506 42.443 30.341 1.00 0.00 C ATOM 720 C PHE A 45 42.145 41.740 31.651 1.00 0.00 C ATOM 721 O PHE A 45 41.943 40.528 31.675 1.00 0.00 O ATOM 722 CB PHE A 45 41.391 42.296 29.309 1.00 0.00 C ATOM 723 CG PHE A 45 40.023 42.750 29.759 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.807 44.082 30.133 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.956 41.843 29.775 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.529 44.497 30.526 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.675 42.262 30.152 1.00 0.00 C ATOM 728 CZ PHE A 45 37.462 43.592 30.533 1.00 0.00 C ATOM 0 H PHE A 45 43.736 40.894 29.745 1.00 0.00 H new ATOM 0 HA PHE A 45 42.641 43.500 30.571 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.667 42.861 28.419 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.328 41.248 29.015 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.624 44.788 30.118 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.123 40.813 29.495 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.366 45.522 30.826 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.853 41.561 30.149 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.477 43.919 30.832 1.00 0.00 H new ATOM 738 N ALA A 46 42.080 42.494 32.744 1.00 0.00 N ATOM 739 CA ALA A 46 41.887 42.014 34.097 1.00 0.00 C ATOM 740 C ALA A 46 42.762 40.807 34.437 1.00 0.00 C ATOM 741 O ALA A 46 42.287 39.762 34.876 1.00 0.00 O ATOM 742 CB ALA A 46 40.396 41.824 34.366 1.00 0.00 C ATOM 0 H ALA A 46 42.166 43.509 32.701 1.00 0.00 H new ATOM 0 HA ALA A 46 42.240 42.773 34.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.253 41.463 35.384 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.880 42.776 34.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.989 41.097 33.663 1.00 0.00 H new ATOM 748 N GLY A 47 44.061 40.914 34.171 1.00 0.00 N ATOM 749 CA GLY A 47 45.060 39.886 34.385 1.00 0.00 C ATOM 750 C GLY A 47 45.109 38.750 33.362 1.00 0.00 C ATOM 751 O GLY A 47 46.080 37.996 33.368 1.00 0.00 O ATOM 0 H GLY A 47 44.460 41.767 33.780 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.039 40.364 34.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.893 39.450 35.370 1.00 0.00 H new ATOM 755 N LYS A 48 44.137 38.628 32.462 1.00 0.00 N ATOM 756 CA LYS A 48 44.050 37.580 31.465 1.00 0.00 C ATOM 757 C LYS A 48 44.609 38.044 30.118 1.00 0.00 C ATOM 758 O LYS A 48 44.181 39.073 29.602 1.00 0.00 O ATOM 759 CB LYS A 48 42.605 37.094 31.387 1.00 0.00 C ATOM 760 CG LYS A 48 42.429 35.713 30.763 1.00 0.00 C ATOM 761 CD LYS A 48 42.207 35.740 29.253 1.00 0.00 C ATOM 762 CE LYS A 48 42.306 34.354 28.622 1.00 0.00 C ATOM 763 NZ LYS A 48 43.683 33.838 28.635 1.00 0.00 N ATOM 0 H LYS A 48 43.360 39.286 32.410 1.00 0.00 H new ATOM 0 HA LYS A 48 44.673 36.734 31.756 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.186 37.079 32.393 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.024 37.815 30.811 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.312 35.112 30.980 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.582 35.217 31.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.225 36.163 29.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.944 36.399 28.793 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.656 33.664 29.160 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.945 34.397 27.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.734 32.969 28.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.325 34.552 28.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.966 33.627 29.613 1.00 0.00 H new ATOM 777 N GLN A 49 45.533 37.290 29.529 1.00 0.00 N ATOM 778 CA GLN A 49 46.115 37.581 28.234 1.00 0.00 C ATOM 779 C GLN A 49 45.224 37.058 27.107 1.00 0.00 C ATOM 780 O GLN A 49 44.827 35.894 27.141 1.00 0.00 O ATOM 781 CB GLN A 49 47.521 36.994 28.169 1.00 0.00 C ATOM 782 CG GLN A 49 48.291 37.407 26.917 1.00 0.00 C ATOM 783 CD GLN A 49 49.667 36.738 26.882 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.555 37.021 27.683 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.880 35.797 25.966 1.00 0.00 N ATOM 0 H GLN A 49 45.903 36.440 29.954 1.00 0.00 H new ATOM 0 HA GLN A 49 46.188 38.660 28.102 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.079 37.308 29.051 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.455 35.907 28.204 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.724 37.131 26.028 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.407 38.491 26.897 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.146 35.559 25.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.778 35.314 25.931 1.00 0.00 H new ATOM 794 N LEU A 50 44.897 37.890 26.122 1.00 0.00 N ATOM 795 CA LEU A 50 43.958 37.541 25.076 1.00 0.00 C ATOM 796 C LEU A 50 44.612 36.849 23.879 1.00 0.00 C ATOM 797 O LEU A 50 45.779 37.086 23.576 1.00 0.00 O ATOM 798 CB LEU A 50 43.165 38.767 24.632 1.00 0.00 C ATOM 799 CG LEU A 50 42.362 39.563 25.657 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.730 38.723 26.762 1.00 0.00 C ATOM 801 CD2 LEU A 50 43.169 40.675 26.322 1.00 0.00 C ATOM 0 H LEU A 50 45.282 38.830 26.032 1.00 0.00 H new ATOM 0 HA LEU A 50 43.273 36.812 25.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.867 39.456 24.163 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.471 38.442 23.857 1.00 0.00 H new ATOM 0 HG LEU A 50 41.565 39.991 25.049 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.180 39.372 27.443 1.00 0.00 H new ATOM 0 HD12 LEU A 50 41.047 37.997 26.321 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.511 38.199 27.312 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.540 41.202 27.039 1.00 0.00 H new ATOM 0 HD22 LEU A 50 44.026 40.243 26.839 1.00 0.00 H new ATOM 0 HD23 LEU A 50 43.518 41.375 25.563 1.00 0.00 H new ATOM 813 N GLU A 51 43.865 35.993 23.186 1.00 0.00 N ATOM 814 CA GLU A 51 44.309 35.220 22.043 1.00 0.00 C ATOM 815 C GLU A 51 43.835 35.818 20.718 1.00 0.00 C ATOM 816 O GLU A 51 42.698 36.269 20.596 1.00 0.00 O ATOM 817 CB GLU A 51 43.904 33.756 22.196 1.00 0.00 C ATOM 818 CG GLU A 51 44.423 33.116 23.480 1.00 0.00 C ATOM 819 CD GLU A 51 44.090 31.627 23.589 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.583 30.835 22.757 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.353 31.226 24.515 1.00 0.00 O ATOM 0 H GLU A 51 42.889 35.816 23.422 1.00 0.00 H new ATOM 0 HA GLU A 51 45.398 35.263 22.016 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.817 33.683 22.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.277 33.192 21.341 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.504 33.244 23.531 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.999 33.640 24.337 1.00 0.00 H new ATOM 828 N ASP A 52 44.698 35.814 19.706 1.00 0.00 N ATOM 829 CA ASP A 52 44.596 36.622 18.508 1.00 0.00 C ATOM 830 C ASP A 52 43.338 36.423 17.660 1.00 0.00 C ATOM 831 O ASP A 52 42.885 37.363 17.011 1.00 0.00 O ATOM 832 CB ASP A 52 45.800 36.366 17.605 1.00 0.00 C ATOM 833 CG ASP A 52 47.140 36.882 18.134 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.179 37.944 18.791 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.187 36.276 17.817 1.00 0.00 O ATOM 0 H ASP A 52 45.525 35.217 19.705 1.00 0.00 H new ATOM 0 HA ASP A 52 44.552 37.643 18.888 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.884 35.292 17.437 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.610 36.827 16.636 1.00 0.00 H new ATOM 840 N GLY A 53 42.774 35.218 17.626 1.00 0.00 N ATOM 841 CA GLY A 53 41.633 34.887 16.797 1.00 0.00 C ATOM 842 C GLY A 53 40.281 35.349 17.343 1.00 0.00 C ATOM 843 O GLY A 53 39.316 35.417 16.585 1.00 0.00 O ATOM 0 H GLY A 53 43.108 34.434 18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.779 35.328 15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.603 33.806 16.662 1.00 0.00 H new ATOM 847 N ARG A 54 40.195 35.651 18.636 1.00 0.00 N ATOM 848 CA ARG A 54 38.947 35.883 19.335 1.00 0.00 C ATOM 849 C ARG A 54 38.535 37.356 19.357 1.00 0.00 C ATOM 850 O ARG A 54 39.317 38.242 19.018 1.00 0.00 O ATOM 851 CB ARG A 54 39.008 35.229 20.711 1.00 0.00 C ATOM 852 CG ARG A 54 38.935 33.709 20.600 1.00 0.00 C ATOM 853 CD ARG A 54 39.083 32.990 21.938 1.00 0.00 C ATOM 854 NE ARG A 54 38.015 33.325 22.880 1.00 0.00 N ATOM 855 CZ ARG A 54 37.945 32.922 24.156 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.848 32.079 24.676 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.973 33.348 24.974 1.00 0.00 N ATOM 0 H ARG A 54 41.015 35.742 19.236 1.00 0.00 H new ATOM 0 HA ARG A 54 38.140 35.405 18.780 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.932 35.516 21.213 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.185 35.592 21.326 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.981 33.431 20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.717 33.365 19.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.088 31.913 21.769 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.046 33.248 22.380 1.00 0.00 H new ATOM 0 HE ARG A 54 37.258 33.916 22.536 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.611 31.729 24.097 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.772 31.788 25.651 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.263 33.995 24.629 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.943 33.026 25.941 1.00 0.00 H new ATOM 871 N THR A 55 37.276 37.601 19.709 1.00 0.00 N ATOM 872 CA THR A 55 36.622 38.893 19.676 1.00 0.00 C ATOM 873 C THR A 55 36.475 39.533 21.058 1.00 0.00 C ATOM 874 O THR A 55 36.482 38.854 22.082 1.00 0.00 O ATOM 875 CB THR A 55 35.270 38.830 18.971 1.00 0.00 C ATOM 876 OG1 THR A 55 34.433 37.845 19.534 1.00 0.00 O ATOM 877 CG2 THR A 55 35.410 38.514 17.485 1.00 0.00 C ATOM 0 H THR A 55 36.658 36.861 20.041 1.00 0.00 H new ATOM 0 HA THR A 55 37.284 39.536 19.097 1.00 0.00 H new ATOM 0 HB THR A 55 34.831 39.819 19.100 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.576 37.834 19.059 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.422 38.479 17.026 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.007 39.288 17.003 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.901 37.548 17.363 1.00 0.00 H new ATOM 885 N LEU A 56 36.323 40.854 21.099 1.00 0.00 N ATOM 886 CA LEU A 56 36.233 41.610 22.333 1.00 0.00 C ATOM 887 C LEU A 56 35.067 41.196 23.233 1.00 0.00 C ATOM 888 O LEU A 56 35.254 41.052 24.439 1.00 0.00 O ATOM 889 CB LEU A 56 36.200 43.101 22.011 1.00 0.00 C ATOM 890 CG LEU A 56 37.503 43.684 21.472 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.362 45.196 21.334 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.713 43.420 22.365 1.00 0.00 C ATOM 0 H LEU A 56 36.259 41.432 20.261 1.00 0.00 H new ATOM 0 HA LEU A 56 37.124 41.381 22.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.412 43.280 21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.925 43.645 22.915 1.00 0.00 H new ATOM 0 HG LEU A 56 37.677 43.191 20.515 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.292 45.615 20.949 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.549 45.424 20.645 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.144 45.632 22.309 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.601 43.865 21.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.544 43.861 23.347 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.860 42.345 22.471 1.00 0.00 H new ATOM 904 N SER A 57 33.884 40.944 22.681 1.00 0.00 N ATOM 905 CA SER A 57 32.734 40.454 23.413 1.00 0.00 C ATOM 906 C SER A 57 32.894 39.008 23.886 1.00 0.00 C ATOM 907 O SER A 57 32.447 38.679 24.981 1.00 0.00 O ATOM 908 CB SER A 57 31.440 40.601 22.617 1.00 0.00 C ATOM 909 OG SER A 57 31.554 40.065 21.318 1.00 0.00 O ATOM 0 H SER A 57 33.700 41.080 21.687 1.00 0.00 H new ATOM 0 HA SER A 57 32.671 41.085 24.300 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.630 40.099 23.146 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.173 41.656 22.552 1.00 0.00 H new ATOM 0 HG SER A 57 31.964 40.729 20.725 1.00 0.00 H new ATOM 915 N ASP A 58 33.610 38.164 23.147 1.00 0.00 N ATOM 916 CA ASP A 58 33.972 36.817 23.536 1.00 0.00 C ATOM 917 C ASP A 58 34.995 36.762 24.673 1.00 0.00 C ATOM 918 O ASP A 58 35.242 35.702 25.244 1.00 0.00 O ATOM 919 CB ASP A 58 34.446 36.094 22.279 1.00 0.00 C ATOM 920 CG ASP A 58 34.664 34.587 22.431 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.571 34.053 21.758 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.906 33.914 23.162 1.00 0.00 O ATOM 0 H ASP A 58 33.965 38.417 22.225 1.00 0.00 H new ATOM 0 HA ASP A 58 33.100 36.314 23.954 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.715 36.260 21.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.381 36.548 21.950 1.00 0.00 H new ATOM 927 N TYR A 59 35.553 37.908 25.051 1.00 0.00 N ATOM 928 CA TYR A 59 36.313 38.144 26.263 1.00 0.00 C ATOM 929 C TYR A 59 35.662 39.124 27.240 1.00 0.00 C ATOM 930 O TYR A 59 36.256 39.435 28.270 1.00 0.00 O ATOM 931 CB TYR A 59 37.725 38.577 25.879 1.00 0.00 C ATOM 932 CG TYR A 59 38.629 37.469 25.397 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.879 36.375 26.234 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.282 37.577 24.163 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.789 35.382 25.851 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.225 36.612 23.786 1.00 0.00 C ATOM 937 CZ TYR A 59 40.478 35.511 24.628 1.00 0.00 C ATOM 938 OH TYR A 59 41.418 34.587 24.277 1.00 0.00 O ATOM 0 H TYR A 59 35.478 38.748 24.478 1.00 0.00 H new ATOM 0 HA TYR A 59 36.343 37.205 26.816 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.656 39.333 25.097 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.189 39.053 26.743 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.367 36.296 27.181 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.059 38.403 23.503 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.961 34.526 26.486 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.757 36.712 22.852 1.00 0.00 H new ATOM 0 HH TYR A 59 41.184 33.718 24.666 1.00 0.00 H new ATOM 948 N ASN A 60 34.447 39.592 26.968 1.00 0.00 N ATOM 949 CA ASN A 60 33.711 40.554 27.763 1.00 0.00 C ATOM 950 C ASN A 60 34.454 41.866 28.024 1.00 0.00 C ATOM 951 O ASN A 60 34.421 42.404 29.128 1.00 0.00 O ATOM 952 CB ASN A 60 33.134 39.860 28.994 1.00 0.00 C ATOM 953 CG ASN A 60 32.057 40.656 29.732 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.497 41.642 29.258 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.673 40.198 30.921 1.00 0.00 N ATOM 0 H ASN A 60 33.928 39.291 26.143 1.00 0.00 H new ATOM 0 HA ASN A 60 32.866 40.913 27.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.713 38.902 28.690 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.947 39.646 29.688 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.921 40.664 31.429 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.130 39.380 31.325 1.00 0.00 H new ATOM 962 N ILE A 61 35.109 42.411 27.003 1.00 0.00 N ATOM 963 CA ILE A 61 35.532 43.797 26.980 1.00 0.00 C ATOM 964 C ILE A 61 34.298 44.668 26.732 1.00 0.00 C ATOM 965 O ILE A 61 33.442 44.344 25.912 1.00 0.00 O ATOM 966 CB ILE A 61 36.661 44.031 25.980 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.017 43.530 26.468 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.840 45.506 25.634 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.196 42.016 26.425 1.00 0.00 C ATOM 0 H ILE A 61 35.361 41.892 26.162 1.00 0.00 H new ATOM 0 HA ILE A 61 35.962 44.078 27.941 1.00 0.00 H new ATOM 0 HB ILE A 61 36.349 43.463 25.104 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.798 43.991 25.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.166 43.870 27.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.656 45.616 24.919 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.919 45.891 25.196 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.073 46.066 26.539 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.190 41.757 26.791 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.443 41.543 27.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.084 41.665 25.399 1.00 0.00 H new ATOM 981 N GLN A 62 34.223 45.787 27.445 1.00 0.00 N ATOM 982 CA GLN A 62 33.124 46.732 27.417 1.00 0.00 C ATOM 983 C GLN A 62 33.604 48.156 27.131 1.00 0.00 C ATOM 984 O GLN A 62 34.795 48.434 27.256 1.00 0.00 O ATOM 985 CB GLN A 62 32.357 46.646 28.733 1.00 0.00 C ATOM 986 CG GLN A 62 31.823 45.244 29.015 1.00 0.00 C ATOM 987 CD GLN A 62 30.733 45.180 30.087 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.233 46.177 30.601 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.296 43.980 30.461 1.00 0.00 N ATOM 0 H GLN A 62 34.964 46.068 28.087 1.00 0.00 H new ATOM 0 HA GLN A 62 32.454 46.470 26.598 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.010 46.952 29.550 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.525 47.349 28.710 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.428 44.827 28.089 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.654 44.608 29.322 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.698 43.139 30.047 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.559 43.901 31.162 1.00 0.00 H new ATOM 998 N LYS A 63 32.715 49.077 26.773 1.00 0.00 N ATOM 999 CA LYS A 63 33.096 50.448 26.498 1.00 0.00 C ATOM 1000 C LYS A 63 33.739 51.126 27.709 1.00 0.00 C ATOM 1001 O LYS A 63 33.304 50.934 28.842 1.00 0.00 O ATOM 1002 CB LYS A 63 31.934 51.236 25.899 1.00 0.00 C ATOM 1003 CG LYS A 63 30.809 51.586 26.871 1.00 0.00 C ATOM 1004 CD LYS A 63 29.685 52.304 26.132 1.00 0.00 C ATOM 1005 CE LYS A 63 28.541 52.660 27.077 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.404 53.223 26.331 1.00 0.00 N ATOM 0 H LYS A 63 31.718 48.891 26.667 1.00 0.00 H new ATOM 0 HA LYS A 63 33.876 50.431 25.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.325 52.161 25.474 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.513 50.660 25.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.426 50.679 27.339 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.192 52.220 27.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.073 53.211 25.668 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.312 51.670 25.328 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.221 51.770 27.620 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.887 53.379 27.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.637 53.458 26.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.708 54.084 25.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.063 52.525 25.639 1.00 0.00 H new ATOM 1020 N GLU A 64 34.802 51.888 27.469 1.00 0.00 N ATOM 1021 CA GLU A 64 35.685 52.471 28.459 1.00 0.00 C ATOM 1022 C GLU A 64 36.474 51.462 29.297 1.00 0.00 C ATOM 1023 O GLU A 64 36.854 51.737 30.433 1.00 0.00 O ATOM 1024 CB GLU A 64 34.967 53.558 29.255 1.00 0.00 C ATOM 1025 CG GLU A 64 35.910 54.676 29.694 1.00 0.00 C ATOM 1026 CD GLU A 64 35.178 55.754 30.494 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.791 55.492 31.653 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.995 56.872 29.963 1.00 0.00 O ATOM 0 H GLU A 64 35.082 52.126 26.518 1.00 0.00 H new ATOM 0 HA GLU A 64 36.486 52.967 27.911 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.166 53.980 28.648 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.501 53.113 30.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.714 54.257 30.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.373 55.126 28.816 1.00 0.00 H new ATOM 1035 N SER A 65 36.771 50.285 28.754 1.00 0.00 N ATOM 1036 CA SER A 65 37.741 49.375 29.329 1.00 0.00 C ATOM 1037 C SER A 65 39.181 49.834 29.093 1.00 0.00 C ATOM 1038 O SER A 65 39.493 50.362 28.027 1.00 0.00 O ATOM 1039 CB SER A 65 37.594 47.961 28.775 1.00 0.00 C ATOM 1040 OG SER A 65 36.340 47.426 29.136 1.00 0.00 O ATOM 0 H SER A 65 36.339 49.939 27.897 1.00 0.00 H new ATOM 0 HA SER A 65 37.535 49.373 30.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.693 47.975 27.690 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.393 47.327 29.159 1.00 0.00 H new ATOM 0 HG SER A 65 35.631 47.899 28.652 1.00 0.00 H new ATOM 1046 N THR A 66 40.063 49.542 30.045 1.00 0.00 N ATOM 1047 CA THR A 66 41.498 49.698 29.918 1.00 0.00 C ATOM 1048 C THR A 66 42.183 48.332 29.860 1.00 0.00 C ATOM 1049 O THR A 66 41.935 47.468 30.697 1.00 0.00 O ATOM 1050 CB THR A 66 42.112 50.519 31.047 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.394 51.710 31.280 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.547 50.931 30.730 1.00 0.00 C ATOM 0 H THR A 66 39.782 49.178 30.956 1.00 0.00 H new ATOM 0 HA THR A 66 41.662 50.242 28.988 1.00 0.00 H new ATOM 0 HB THR A 66 42.080 49.873 31.924 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.816 52.209 32.011 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.950 51.514 31.558 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.157 50.040 30.583 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.560 51.534 29.822 1.00 0.00 H new ATOM 1060 N LEU A 67 43.087 48.152 28.899 1.00 0.00 N ATOM 1061 CA LEU A 67 43.957 47.001 28.768 1.00 0.00 C ATOM 1062 C LEU A 67 45.414 47.398 29.016 1.00 0.00 C ATOM 1063 O LEU A 67 45.784 48.561 28.871 1.00 0.00 O ATOM 1064 CB LEU A 67 43.785 46.341 27.402 1.00 0.00 C ATOM 1065 CG LEU A 67 42.468 45.595 27.208 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.318 46.486 26.748 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.641 44.508 26.151 1.00 0.00 C ATOM 0 H LEU A 67 43.234 48.840 28.160 1.00 0.00 H new ATOM 0 HA LEU A 67 43.676 46.269 29.525 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.868 47.108 26.632 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.607 45.643 27.246 1.00 0.00 H new ATOM 0 HG LEU A 67 42.216 45.188 28.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.416 45.885 26.632 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.142 47.265 27.490 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.573 46.945 25.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.698 43.978 26.016 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.940 44.963 25.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.409 43.805 26.474 1.00 0.00 H new ATOM 1079 N HIS A 68 46.258 46.431 29.360 1.00 0.00 N ATOM 1080 CA HIS A 68 47.697 46.600 29.405 1.00 0.00 C ATOM 1081 C HIS A 68 48.330 45.981 28.157 1.00 0.00 C ATOM 1082 O HIS A 68 47.930 44.896 27.740 1.00 0.00 O ATOM 1083 CB HIS A 68 48.290 46.015 30.682 1.00 0.00 C ATOM 1084 CG HIS A 68 47.880 46.687 31.964 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.756 47.262 32.883 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.609 46.764 32.472 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.011 47.692 33.905 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.716 47.413 33.687 1.00 0.00 N ATOM 0 H HIS A 68 45.951 45.493 29.619 1.00 0.00 H new ATOM 0 HA HIS A 68 47.921 47.667 29.416 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.011 44.963 30.740 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.377 46.053 30.606 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.705 46.392 32.014 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.395 48.193 34.781 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.943 47.641 34.312 1.00 0.00 H new ATOM 1096 N LEU A 69 49.327 46.649 27.584 1.00 0.00 N ATOM 1097 CA LEU A 69 50.127 46.185 26.468 1.00 0.00 C ATOM 1098 C LEU A 69 51.530 45.831 26.966 1.00 0.00 C ATOM 1099 O LEU A 69 52.323 46.697 27.327 1.00 0.00 O ATOM 1100 CB LEU A 69 50.132 47.240 25.367 1.00 0.00 C ATOM 1101 CG LEU A 69 51.097 46.993 24.211 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.854 45.670 23.489 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.964 48.103 23.173 1.00 0.00 C ATOM 0 H LEU A 69 49.609 47.575 27.906 1.00 0.00 H new ATOM 0 HA LEU A 69 49.700 45.280 26.035 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.123 47.319 24.962 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.372 48.204 25.815 1.00 0.00 H new ATOM 0 HG LEU A 69 52.091 46.967 24.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.575 45.560 22.679 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.969 44.845 24.192 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.844 45.659 23.079 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.657 47.918 22.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.944 48.122 22.790 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.197 49.063 23.635 1.00 0.00 H new ATOM 1115 N VAL A 70 51.834 44.536 26.954 1.00 0.00 N ATOM 1116 CA VAL A 70 53.128 43.993 27.316 1.00 0.00 C ATOM 1117 C VAL A 70 53.885 43.534 26.068 1.00 0.00 C ATOM 1118 O VAL A 70 53.281 43.145 25.071 1.00 0.00 O ATOM 1119 CB VAL A 70 53.027 42.916 28.392 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.355 43.441 29.657 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.288 41.662 27.935 1.00 0.00 C ATOM 0 H VAL A 70 51.162 43.818 26.683 1.00 0.00 H new ATOM 0 HA VAL A 70 53.715 44.791 27.771 1.00 0.00 H new ATOM 0 HB VAL A 70 54.060 42.642 28.603 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.302 42.644 30.399 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.934 44.272 30.058 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.348 43.782 29.419 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.255 40.941 28.752 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.271 41.925 27.642 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.808 41.223 27.084 1.00 0.00 H new ATOM 1131 N LEU A 71 55.213 43.584 26.115 1.00 0.00 N ATOM 1132 CA LEU A 71 56.071 43.084 25.059 1.00 0.00 C ATOM 1133 C LEU A 71 56.588 41.689 25.414 1.00 0.00 C ATOM 1134 O LEU A 71 57.013 41.463 26.546 1.00 0.00 O ATOM 1135 CB LEU A 71 57.209 44.056 24.759 1.00 0.00 C ATOM 1136 CG LEU A 71 56.780 45.448 24.305 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.017 46.287 23.993 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.898 45.433 23.060 1.00 0.00 C ATOM 0 H LEU A 71 55.726 43.980 26.903 1.00 0.00 H new ATOM 0 HA LEU A 71 55.483 43.001 24.145 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.822 44.158 25.654 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.842 43.620 23.986 1.00 0.00 H new ATOM 0 HG LEU A 71 56.198 45.870 25.124 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.710 47.281 23.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.634 46.372 24.887 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.591 45.808 23.200 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.629 46.455 22.792 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.441 44.972 22.235 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.992 44.861 23.262 1.00 0.00 H new ATOM 1150 N ARG A 72 56.589 40.765 24.458 1.00 0.00 N ATOM 1151 CA ARG A 72 56.971 39.378 24.639 1.00 0.00 C ATOM 1152 C ARG A 72 58.035 38.966 23.621 1.00 0.00 C ATOM 1153 O ARG A 72 57.749 38.258 22.659 1.00 0.00 O ATOM 1154 CB ARG A 72 55.706 38.525 24.610 1.00 0.00 C ATOM 1155 CG ARG A 72 55.870 37.107 25.150 1.00 0.00 C ATOM 1156 CD ARG A 72 56.335 37.014 26.601 1.00 0.00 C ATOM 1157 NE ARG A 72 55.584 37.855 27.533 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.291 37.807 27.879 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.424 36.892 27.426 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.828 38.738 28.723 1.00 0.00 N ATOM 0 H ARG A 72 56.312 40.976 23.499 1.00 0.00 H new ATOM 0 HA ARG A 72 57.446 39.225 25.608 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.932 39.030 25.188 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.349 38.467 23.582 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.916 36.587 25.057 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.585 36.576 24.521 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.261 35.977 26.927 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.388 37.290 26.650 1.00 0.00 H new ATOM 0 HE ARG A 72 56.127 38.589 27.988 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.736 36.172 26.775 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.451 36.915 27.732 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.455 39.457 29.083 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.848 38.728 29.005 1.00 0.00 H new ATOM 1174 N LEU A 73 59.237 39.515 23.779 1.00 0.00 N ATOM 1175 CA LEU A 73 60.298 39.489 22.793 1.00 0.00 C ATOM 1176 C LEU A 73 61.035 38.151 22.695 1.00 0.00 C ATOM 1177 O LEU A 73 61.158 37.413 23.671 1.00 0.00 O ATOM 1178 CB LEU A 73 61.273 40.631 23.064 1.00 0.00 C ATOM 1179 CG LEU A 73 60.666 42.032 23.050 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.743 43.063 23.373 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.039 42.391 21.707 1.00 0.00 C ATOM 0 H LEU A 73 59.502 40.007 24.632 1.00 0.00 H new ATOM 0 HA LEU A 73 59.823 39.621 21.821 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.738 40.465 24.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.068 40.591 22.319 1.00 0.00 H new ATOM 0 HG LEU A 73 59.877 42.039 23.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.306 44.061 23.362 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.157 42.859 24.360 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.536 43.006 22.628 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.624 43.398 21.757 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.800 42.350 20.928 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.244 41.682 21.475 1.00 0.00 H new ATOM 1193 N ARG A 74 61.563 37.880 21.505 1.00 0.00 N ATOM 1194 CA ARG A 74 62.373 36.734 21.145 1.00 0.00 C ATOM 1195 C ARG A 74 63.780 37.124 20.686 1.00 0.00 C ATOM 1196 O ARG A 74 64.740 36.452 21.056 1.00 0.00 O ATOM 1197 CB ARG A 74 61.687 35.947 20.032 1.00 0.00 C ATOM 1198 CG ARG A 74 60.315 35.397 20.412 1.00 0.00 C ATOM 1199 CD ARG A 74 59.662 34.635 19.263 1.00 0.00 C ATOM 1200 NE ARG A 74 60.362 33.388 18.952 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.116 33.099 17.883 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.397 33.982 16.914 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.638 31.870 17.765 1.00 0.00 N ATOM 0 H ARG A 74 61.422 38.506 20.712 1.00 0.00 H new ATOM 0 HA ARG A 74 62.476 36.124 22.043 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.579 36.591 19.159 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.330 35.118 19.738 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.416 34.736 21.273 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.667 36.219 20.715 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.626 34.413 19.520 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.641 35.268 18.376 1.00 0.00 H new ATOM 0 HE ARG A 74 60.263 32.641 19.639 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.030 34.932 16.968 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.978 33.704 16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.459 31.169 18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.214 31.636 16.956 1.00 0.00 H new ATOM 1217 N GLY A 75 63.890 38.191 19.899 1.00 0.00 N ATOM 1218 CA GLY A 75 65.119 38.734 19.358 1.00 0.00 C ATOM 1219 C GLY A 75 65.600 40.005 20.060 1.00 0.00 C ATOM 1220 O GLY A 75 64.985 40.468 21.017 1.00 0.00 O ATOM 0 H GLY A 75 63.072 38.726 19.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.900 37.976 19.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 64.974 38.949 18.299 1.00 0.00 H new ATOM 1224 N GLY A 76 66.725 40.546 19.601 1.00 0.00 N ATOM 1225 CA GLY A 76 67.391 41.710 20.151 1.00 0.00 C ATOM 1226 C GLY A 76 66.950 43.029 19.515 1.00 0.00 C ATOM 1227 O GLY A 76 65.996 43.659 20.023 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.580 43.451 18.521 1.00 0.00 O ATOM 0 H GLY A 76 67.217 40.161 18.795 1.00 0.00 H new ATOM 0 HA2 GLY A 76 67.202 41.753 21.224 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.467 41.597 20.022 1.00 0.00 H new TER 1232 GLY A 76