USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.152) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.97 (180deg=1.94) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.817 USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 0.00907 (180deg=-0.256!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -29:sc= 0.4 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 1.13 (180deg=0.109) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.84 K(o=1.8,f=-8!) USER MOD Single : A 41 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.83) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.48) USER MOD Single : A 55 THR OG1 : rot -69:sc= 0.575 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -15:sc= 0.563 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.58) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.487 31.558 16.734 1.00 0.00 N ATOM 2 CA MET A 1 14.365 31.452 18.199 1.00 0.00 C ATOM 3 C MET A 1 15.658 31.924 18.861 1.00 0.00 C ATOM 4 O MET A 1 16.774 31.863 18.349 1.00 0.00 O ATOM 5 CB MET A 1 14.150 29.957 18.496 1.00 0.00 C ATOM 6 CG MET A 1 15.363 29.079 18.795 1.00 0.00 C ATOM 7 SD MET A 1 15.292 27.276 18.616 1.00 0.00 S ATOM 8 CE MET A 1 14.358 26.670 20.045 1.00 0.00 C ATOM 0 H1 MET A 1 13.617 31.204 16.287 1.00 0.00 H new ATOM 0 H2 MET A 1 14.632 32.553 16.469 1.00 0.00 H new ATOM 0 H3 MET A 1 15.297 30.992 16.411 1.00 0.00 H new ATOM 0 HA MET A 1 13.547 32.063 18.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.474 29.885 19.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.633 29.523 17.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.173 29.429 18.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.657 29.284 19.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.474 25.589 20.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.734 27.142 20.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.303 26.914 19.920 1.00 0.00 H new ATOM 20 N GLN A 2 15.557 32.510 20.054 1.00 0.00 N ATOM 21 CA GLN A 2 16.640 32.852 20.950 1.00 0.00 C ATOM 22 C GLN A 2 16.978 31.638 21.821 1.00 0.00 C ATOM 23 O GLN A 2 16.176 31.114 22.586 1.00 0.00 O ATOM 24 CB GLN A 2 16.249 34.063 21.806 1.00 0.00 C ATOM 25 CG GLN A 2 16.647 35.378 21.138 1.00 0.00 C ATOM 26 CD GLN A 2 16.428 36.635 21.967 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.309 37.075 22.173 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.526 37.173 22.496 1.00 0.00 N ATOM 0 H GLN A 2 14.649 32.773 20.438 1.00 0.00 H new ATOM 0 HA GLN A 2 17.526 33.123 20.376 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.173 34.054 21.980 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.730 33.990 22.781 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.702 35.322 20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.086 35.476 20.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.440 36.769 22.294 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.452 37.989 23.103 1.00 0.00 H new ATOM 37 N ILE A 3 18.222 31.175 21.769 1.00 0.00 N ATOM 38 CA ILE A 3 18.845 30.171 22.612 1.00 0.00 C ATOM 39 C ILE A 3 20.237 30.733 22.917 1.00 0.00 C ATOM 40 O ILE A 3 21.036 31.025 22.029 1.00 0.00 O ATOM 41 CB ILE A 3 18.880 28.776 21.980 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.147 28.675 20.471 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.550 28.065 22.214 1.00 0.00 C ATOM 44 CD1 ILE A 3 19.622 27.267 20.094 1.00 0.00 C ATOM 0 H ILE A 3 18.876 31.528 21.071 1.00 0.00 H new ATOM 0 HA ILE A 3 18.269 30.001 23.522 1.00 0.00 H new ATOM 0 HB ILE A 3 19.739 28.324 22.477 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.238 28.917 19.920 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.900 29.407 20.181 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.583 27.074 21.762 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.372 27.969 23.285 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.744 28.643 21.763 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.805 27.220 19.020 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.544 27.038 20.629 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.856 26.540 20.364 1.00 0.00 H new ATOM 56 N PHE A 4 20.579 31.003 24.171 1.00 0.00 N ATOM 57 CA PHE A 4 21.832 31.668 24.457 1.00 0.00 C ATOM 58 C PHE A 4 22.957 30.632 24.484 1.00 0.00 C ATOM 59 O PHE A 4 23.136 29.821 25.389 1.00 0.00 O ATOM 60 CB PHE A 4 21.733 32.422 25.779 1.00 0.00 C ATOM 61 CG PHE A 4 20.572 33.387 25.888 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.430 34.473 25.020 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.617 33.265 26.912 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.291 35.290 25.038 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.525 34.124 27.005 1.00 0.00 C ATOM 66 CZ PHE A 4 18.325 35.108 26.028 1.00 0.00 C ATOM 0 H PHE A 4 20.014 30.774 24.989 1.00 0.00 H new ATOM 0 HA PHE A 4 22.054 32.397 23.678 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.657 31.695 26.588 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.659 32.975 25.933 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.220 34.689 24.316 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.733 32.483 27.648 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.162 36.057 24.289 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.833 34.032 27.829 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.434 35.718 26.041 1.00 0.00 H new ATOM 76 N VAL A 5 23.875 30.705 23.517 1.00 0.00 N ATOM 77 CA VAL A 5 25.117 29.964 23.439 1.00 0.00 C ATOM 78 C VAL A 5 26.154 30.746 24.253 1.00 0.00 C ATOM 79 O VAL A 5 26.559 31.833 23.862 1.00 0.00 O ATOM 80 CB VAL A 5 25.536 29.682 22.001 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.842 28.905 21.926 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.478 28.790 21.338 1.00 0.00 C ATOM 0 H VAL A 5 23.753 31.328 22.719 1.00 0.00 H new ATOM 0 HA VAL A 5 25.005 28.967 23.866 1.00 0.00 H new ATOM 0 HB VAL A 5 25.649 30.648 21.509 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.100 28.727 20.882 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.635 29.480 22.403 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.727 27.950 22.439 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.770 28.583 20.308 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.397 27.852 21.887 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.515 29.300 21.347 1.00 0.00 H new ATOM 92 N LYS A 6 26.422 30.314 25.481 1.00 0.00 N ATOM 93 CA LYS A 6 27.173 31.047 26.482 1.00 0.00 C ATOM 94 C LYS A 6 28.570 30.428 26.544 1.00 0.00 C ATOM 95 O LYS A 6 28.731 29.259 26.894 1.00 0.00 O ATOM 96 CB LYS A 6 26.363 30.952 27.773 1.00 0.00 C ATOM 97 CG LYS A 6 26.703 31.786 29.017 1.00 0.00 C ATOM 98 CD LYS A 6 25.790 31.533 30.215 1.00 0.00 C ATOM 99 CE LYS A 6 25.847 30.116 30.795 1.00 0.00 C ATOM 100 NZ LYS A 6 27.138 29.712 31.387 1.00 0.00 N ATOM 0 H LYS A 6 26.106 29.404 25.815 1.00 0.00 H new ATOM 0 HA LYS A 6 27.320 32.106 26.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.330 31.185 27.513 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.386 29.907 28.081 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.732 31.577 29.309 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.654 32.843 28.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.048 32.241 31.003 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.763 31.745 29.919 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.075 30.026 31.559 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.596 29.410 30.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.065 28.739 31.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.882 29.758 30.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.377 30.354 32.169 1.00 0.00 H new ATOM 114 N THR A 7 29.599 31.228 26.257 1.00 0.00 N ATOM 115 CA THR A 7 31.000 30.886 26.353 1.00 0.00 C ATOM 116 C THR A 7 31.461 31.031 27.804 1.00 0.00 C ATOM 117 O THR A 7 31.079 31.991 28.470 1.00 0.00 O ATOM 118 CB THR A 7 31.751 31.848 25.435 1.00 0.00 C ATOM 119 OG1 THR A 7 31.162 31.833 24.150 1.00 0.00 O ATOM 120 CG2 THR A 7 33.258 31.664 25.345 1.00 0.00 C ATOM 0 H THR A 7 29.457 32.185 25.934 1.00 0.00 H new ATOM 0 HA THR A 7 31.189 29.856 26.052 1.00 0.00 H new ATOM 0 HB THR A 7 31.645 32.825 25.906 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.644 32.452 23.562 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.675 32.405 24.663 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.700 31.791 26.333 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.481 30.664 24.973 1.00 0.00 H new ATOM 128 N LEU A 8 32.363 30.167 28.252 1.00 0.00 N ATOM 129 CA LEU A 8 32.910 30.111 29.592 1.00 0.00 C ATOM 130 C LEU A 8 33.167 31.447 30.272 1.00 0.00 C ATOM 131 O LEU A 8 32.689 31.659 31.387 1.00 0.00 O ATOM 132 CB LEU A 8 34.137 29.197 29.461 1.00 0.00 C ATOM 133 CG LEU A 8 34.988 28.731 30.639 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.750 29.791 31.430 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.251 27.709 31.497 1.00 0.00 C ATOM 0 H LEU A 8 32.753 29.444 27.648 1.00 0.00 H new ATOM 0 HA LEU A 8 32.176 29.711 30.292 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.790 28.293 28.961 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.818 29.700 28.774 1.00 0.00 H new ATOM 0 HG LEU A 8 35.825 28.222 30.161 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.309 29.313 32.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.441 30.312 30.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.045 30.506 31.853 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.889 27.401 32.325 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.337 28.155 31.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.999 26.839 30.891 1.00 0.00 H new ATOM 147 N THR A 9 33.877 32.253 29.494 1.00 0.00 N ATOM 148 CA THR A 9 34.388 33.585 29.720 1.00 0.00 C ATOM 149 C THR A 9 33.311 34.655 29.963 1.00 0.00 C ATOM 150 O THR A 9 33.707 35.723 30.441 1.00 0.00 O ATOM 151 CB THR A 9 35.254 33.881 28.506 1.00 0.00 C ATOM 152 OG1 THR A 9 34.721 33.597 27.235 1.00 0.00 O ATOM 153 CG2 THR A 9 36.555 33.075 28.471 1.00 0.00 C ATOM 0 H THR A 9 34.140 31.935 28.561 1.00 0.00 H new ATOM 0 HA THR A 9 34.954 33.622 30.651 1.00 0.00 H new ATOM 0 HB THR A 9 35.369 34.955 28.654 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.302 33.978 26.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.122 33.338 27.578 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.148 33.302 29.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.323 32.010 28.453 1.00 0.00 H new ATOM 161 N GLY A 10 32.030 34.368 29.749 1.00 0.00 N ATOM 162 CA GLY A 10 30.924 35.281 29.944 1.00 0.00 C ATOM 163 C GLY A 10 30.179 35.773 28.702 1.00 0.00 C ATOM 164 O GLY A 10 28.992 36.108 28.801 1.00 0.00 O ATOM 0 H GLY A 10 31.729 33.451 29.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.200 34.796 30.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.300 36.154 30.477 1.00 0.00 H new ATOM 168 N LYS A 11 30.838 35.758 27.551 1.00 0.00 N ATOM 169 CA LYS A 11 30.369 36.220 26.270 1.00 0.00 C ATOM 170 C LYS A 11 29.164 35.391 25.844 1.00 0.00 C ATOM 171 O LYS A 11 29.291 34.170 25.722 1.00 0.00 O ATOM 172 CB LYS A 11 31.467 35.975 25.230 1.00 0.00 C ATOM 173 CG LYS A 11 31.526 37.032 24.125 1.00 0.00 C ATOM 174 CD LYS A 11 32.561 36.747 23.035 1.00 0.00 C ATOM 175 CE LYS A 11 32.789 37.857 21.997 1.00 0.00 C ATOM 176 NZ LYS A 11 31.634 38.146 21.145 1.00 0.00 N ATOM 0 H LYS A 11 31.788 35.392 27.495 1.00 0.00 H new ATOM 0 HA LYS A 11 30.110 37.276 26.341 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.431 35.940 25.737 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.310 34.997 24.775 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.542 37.113 23.663 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.747 38.000 24.575 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.514 36.531 23.518 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.259 35.843 22.506 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.076 38.770 22.519 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.629 37.575 21.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.547 39.174 21.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.763 37.690 20.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.771 37.779 21.594 1.00 0.00 H new ATOM 190 N THR A 12 28.025 36.032 25.578 1.00 0.00 N ATOM 191 CA THR A 12 26.738 35.435 25.275 1.00 0.00 C ATOM 192 C THR A 12 26.202 35.693 23.858 1.00 0.00 C ATOM 193 O THR A 12 26.061 36.858 23.492 1.00 0.00 O ATOM 194 CB THR A 12 25.744 35.682 26.404 1.00 0.00 C ATOM 195 OG1 THR A 12 26.483 35.377 27.571 1.00 0.00 O ATOM 196 CG2 THR A 12 24.528 34.764 26.405 1.00 0.00 C ATOM 0 H THR A 12 27.982 37.051 25.570 1.00 0.00 H new ATOM 0 HA THR A 12 26.903 34.358 25.235 1.00 0.00 H new ATOM 0 HB THR A 12 25.355 36.696 26.316 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.918 35.510 28.360 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.881 35.018 27.245 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.977 34.888 25.473 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.854 33.728 26.498 1.00 0.00 H new ATOM 204 N ILE A 13 26.131 34.613 23.094 1.00 0.00 N ATOM 205 CA ILE A 13 25.808 34.652 21.689 1.00 0.00 C ATOM 206 C ILE A 13 24.286 34.517 21.588 1.00 0.00 C ATOM 207 O ILE A 13 23.610 33.701 22.213 1.00 0.00 O ATOM 208 CB ILE A 13 26.519 33.578 20.872 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.021 33.762 21.096 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.201 33.536 19.386 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.865 32.536 20.750 1.00 0.00 C ATOM 0 H ILE A 13 26.301 33.671 23.447 1.00 0.00 H new ATOM 0 HA ILE A 13 26.157 35.592 21.261 1.00 0.00 H new ATOM 0 HB ILE A 13 26.149 32.617 21.228 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.365 34.606 20.497 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.191 34.022 22.141 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.767 32.732 18.915 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.135 33.359 19.247 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.473 34.487 18.929 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.916 32.753 20.938 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.553 31.693 21.367 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.729 32.286 19.698 1.00 0.00 H new ATOM 223 N THR A 14 23.745 35.163 20.559 1.00 0.00 N ATOM 224 CA THR A 14 22.346 35.484 20.398 1.00 0.00 C ATOM 225 C THR A 14 22.186 35.612 18.878 1.00 0.00 C ATOM 226 O THR A 14 22.666 36.530 18.217 1.00 0.00 O ATOM 227 CB THR A 14 21.882 36.578 21.353 1.00 0.00 C ATOM 228 OG1 THR A 14 20.548 36.932 21.086 1.00 0.00 O ATOM 229 CG2 THR A 14 22.672 37.894 21.325 1.00 0.00 C ATOM 0 H THR A 14 24.310 35.491 19.776 1.00 0.00 H new ATOM 0 HA THR A 14 21.623 34.737 20.725 1.00 0.00 H new ATOM 0 HB THR A 14 22.034 36.120 22.330 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.265 37.634 21.709 1.00 0.00 H new ATOM 0 HG21 THR A 14 22.245 38.590 22.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 23.713 37.699 21.581 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.619 38.329 20.327 1.00 0.00 H new ATOM 237 N LEU A 15 21.664 34.524 18.326 1.00 0.00 N ATOM 238 CA LEU A 15 21.787 34.248 16.908 1.00 0.00 C ATOM 239 C LEU A 15 20.490 33.654 16.360 1.00 0.00 C ATOM 240 O LEU A 15 19.984 32.733 16.997 1.00 0.00 O ATOM 241 CB LEU A 15 22.953 33.285 16.726 1.00 0.00 C ATOM 242 CG LEU A 15 23.449 33.032 15.293 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.300 34.174 14.728 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.224 31.717 15.347 1.00 0.00 C ATOM 0 H LEU A 15 21.148 33.815 18.848 1.00 0.00 H new ATOM 0 HA LEU A 15 21.973 35.168 16.354 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.793 33.660 17.311 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.667 32.326 17.157 1.00 0.00 H new ATOM 0 HG LEU A 15 22.603 32.976 14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.615 33.926 13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.712 35.092 14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.179 34.318 15.356 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.606 31.478 14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.058 31.814 16.042 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.563 30.918 15.683 1.00 0.00 H new ATOM 256 N GLU A 16 19.933 34.209 15.285 1.00 0.00 N ATOM 257 CA GLU A 16 18.761 33.660 14.639 1.00 0.00 C ATOM 258 C GLU A 16 18.970 32.227 14.127 1.00 0.00 C ATOM 259 O GLU A 16 19.542 32.053 13.055 1.00 0.00 O ATOM 260 CB GLU A 16 18.273 34.564 13.507 1.00 0.00 C ATOM 261 CG GLU A 16 17.408 35.826 13.655 1.00 0.00 C ATOM 262 CD GLU A 16 18.101 37.134 14.001 1.00 0.00 C ATOM 263 OE1 GLU A 16 18.950 37.631 13.222 1.00 0.00 O ATOM 264 OE2 GLU A 16 17.669 37.715 15.025 1.00 0.00 O ATOM 0 H GLU A 16 20.290 35.056 14.842 1.00 0.00 H new ATOM 0 HA GLU A 16 17.991 33.613 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.172 34.886 12.982 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.724 33.912 12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.869 35.972 12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.662 35.630 14.425 1.00 0.00 H new ATOM 271 N VAL A 17 18.603 31.261 14.953 1.00 0.00 N ATOM 272 CA VAL A 17 18.500 29.845 14.642 1.00 0.00 C ATOM 273 C VAL A 17 17.088 29.383 15.021 1.00 0.00 C ATOM 274 O VAL A 17 16.257 30.144 15.508 1.00 0.00 O ATOM 275 CB VAL A 17 19.546 29.104 15.479 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.909 29.470 14.896 1.00 0.00 C ATOM 277 CG2 VAL A 17 19.484 29.381 16.986 1.00 0.00 C ATOM 0 H VAL A 17 18.353 31.458 15.922 1.00 0.00 H new ATOM 0 HA VAL A 17 18.675 29.647 13.585 1.00 0.00 H new ATOM 0 HB VAL A 17 19.346 28.034 15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.693 28.965 15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.954 29.158 13.853 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.054 30.548 14.959 1.00 0.00 H new ATOM 0 HG21 VAL A 17 20.263 28.812 17.493 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.636 30.445 17.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.509 29.083 17.371 1.00 0.00 H new ATOM 287 N GLU A 18 16.651 28.173 14.655 1.00 0.00 N ATOM 288 CA GLU A 18 15.372 27.519 14.809 1.00 0.00 C ATOM 289 C GLU A 18 15.654 26.070 15.208 1.00 0.00 C ATOM 290 O GLU A 18 16.799 25.689 15.001 1.00 0.00 O ATOM 291 CB GLU A 18 14.560 27.829 13.556 1.00 0.00 C ATOM 292 CG GLU A 18 13.758 29.134 13.662 1.00 0.00 C ATOM 293 CD GLU A 18 12.746 29.115 14.802 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.752 28.380 14.643 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.830 29.966 15.716 1.00 0.00 O ATOM 0 H GLU A 18 17.296 27.547 14.172 1.00 0.00 H new ATOM 0 HA GLU A 18 14.725 27.870 15.613 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.233 27.892 12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.875 27.004 13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.446 29.967 13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.236 29.312 12.722 1.00 0.00 H new ATOM 302 N PRO A 19 14.700 25.365 15.816 1.00 0.00 N ATOM 303 CA PRO A 19 15.049 24.091 16.411 1.00 0.00 C ATOM 304 C PRO A 19 15.162 22.873 15.488 1.00 0.00 C ATOM 305 O PRO A 19 15.757 21.900 15.947 1.00 0.00 O ATOM 306 CB PRO A 19 13.863 23.761 17.327 1.00 0.00 C ATOM 307 CG PRO A 19 12.702 24.426 16.593 1.00 0.00 C ATOM 308 CD PRO A 19 13.293 25.680 15.956 1.00 0.00 C ATOM 0 HA PRO A 19 16.038 24.228 16.849 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.716 22.686 17.434 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.997 24.166 18.330 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.282 23.762 15.838 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.894 24.677 17.281 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.833 25.894 14.991 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.140 26.558 16.584 1.00 0.00 H new ATOM 316 N SER A 20 14.770 22.967 14.227 1.00 0.00 N ATOM 317 CA SER A 20 14.951 21.834 13.337 1.00 0.00 C ATOM 318 C SER A 20 16.296 22.025 12.639 1.00 0.00 C ATOM 319 O SER A 20 16.669 21.155 11.850 1.00 0.00 O ATOM 320 CB SER A 20 13.781 21.572 12.386 1.00 0.00 C ATOM 321 OG SER A 20 13.947 20.337 11.737 1.00 0.00 O ATOM 0 H SER A 20 14.337 23.790 13.807 1.00 0.00 H new ATOM 0 HA SER A 20 14.962 20.914 13.921 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.844 21.575 12.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.717 22.372 11.649 1.00 0.00 H new ATOM 0 HG SER A 20 14.903 20.137 11.653 1.00 0.00 H new ATOM 327 N ASP A 21 17.147 23.010 12.906 1.00 0.00 N ATOM 328 CA ASP A 21 18.473 23.244 12.371 1.00 0.00 C ATOM 329 C ASP A 21 19.490 22.255 12.945 1.00 0.00 C ATOM 330 O ASP A 21 19.518 21.976 14.141 1.00 0.00 O ATOM 331 CB ASP A 21 19.045 24.628 12.701 1.00 0.00 C ATOM 332 CG ASP A 21 18.528 25.714 11.768 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.742 25.461 10.840 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.829 26.886 12.092 1.00 0.00 O ATOM 0 H ASP A 21 16.892 23.738 13.574 1.00 0.00 H new ATOM 0 HA ASP A 21 18.336 23.138 11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.791 24.886 13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.133 24.591 12.641 1.00 0.00 H new ATOM 339 N THR A 22 20.329 21.677 12.091 1.00 0.00 N ATOM 340 CA THR A 22 21.373 20.799 12.586 1.00 0.00 C ATOM 341 C THR A 22 22.544 21.559 13.211 1.00 0.00 C ATOM 342 O THR A 22 22.869 22.714 12.929 1.00 0.00 O ATOM 343 CB THR A 22 21.735 19.806 11.489 1.00 0.00 C ATOM 344 OG1 THR A 22 22.140 20.423 10.282 1.00 0.00 O ATOM 345 CG2 THR A 22 20.611 18.858 11.084 1.00 0.00 C ATOM 0 H THR A 22 20.306 21.798 11.079 1.00 0.00 H new ATOM 0 HA THR A 22 21.006 20.216 13.431 1.00 0.00 H new ATOM 0 HB THR A 22 22.549 19.255 11.960 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.360 19.734 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.964 18.190 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.302 18.270 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.763 19.435 10.716 1.00 0.00 H new ATOM 353 N ILE A 23 23.307 20.909 14.083 1.00 0.00 N ATOM 354 CA ILE A 23 24.361 21.485 14.905 1.00 0.00 C ATOM 355 C ILE A 23 25.587 22.063 14.208 1.00 0.00 C ATOM 356 O ILE A 23 26.056 23.112 14.656 1.00 0.00 O ATOM 357 CB ILE A 23 24.751 20.590 16.092 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.568 19.939 16.792 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.577 21.300 17.166 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.282 20.749 16.958 1.00 0.00 C ATOM 0 H ILE A 23 23.199 19.907 14.243 1.00 0.00 H new ATOM 0 HA ILE A 23 23.862 22.379 15.278 1.00 0.00 H new ATOM 0 HB ILE A 23 25.359 19.825 15.609 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.319 19.030 16.245 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.898 19.633 17.785 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.810 20.599 17.968 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.503 21.671 16.727 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.007 22.137 17.570 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.536 20.145 17.475 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.490 21.646 17.541 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.902 21.033 15.977 1.00 0.00 H new ATOM 372 N GLU A 24 25.984 21.513 13.061 1.00 0.00 N ATOM 373 CA GLU A 24 27.088 21.934 12.235 1.00 0.00 C ATOM 374 C GLU A 24 26.691 23.090 11.311 1.00 0.00 C ATOM 375 O GLU A 24 27.440 24.062 11.282 1.00 0.00 O ATOM 376 CB GLU A 24 27.708 20.860 11.338 1.00 0.00 C ATOM 377 CG GLU A 24 28.618 19.873 12.061 1.00 0.00 C ATOM 378 CD GLU A 24 30.014 20.435 12.231 1.00 0.00 C ATOM 379 OE1 GLU A 24 30.770 20.616 11.250 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.386 20.578 13.414 1.00 0.00 O ATOM 0 H GLU A 24 25.501 20.706 12.667 1.00 0.00 H new ATOM 0 HA GLU A 24 27.834 22.222 12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.906 20.305 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.280 21.350 10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.198 19.636 13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.665 18.940 11.500 1.00 0.00 H new ATOM 387 N ASN A 25 25.444 23.025 10.851 1.00 0.00 N ATOM 388 CA ASN A 25 24.664 24.126 10.344 1.00 0.00 C ATOM 389 C ASN A 25 24.612 25.334 11.293 1.00 0.00 C ATOM 390 O ASN A 25 24.961 26.409 10.823 1.00 0.00 O ATOM 391 CB ASN A 25 23.350 23.700 9.692 1.00 0.00 C ATOM 392 CG ASN A 25 22.798 24.756 8.754 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.470 25.891 9.113 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.725 24.476 7.456 1.00 0.00 N ATOM 0 H ASN A 25 24.930 22.144 10.825 1.00 0.00 H new ATOM 0 HA ASN A 25 25.217 24.528 9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.506 22.774 9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.615 23.488 10.468 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.407 25.187 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.987 23.550 7.119 1.00 0.00 H new ATOM 401 N VAL A 26 24.321 25.202 12.580 1.00 0.00 N ATOM 402 CA VAL A 26 24.422 26.266 13.562 1.00 0.00 C ATOM 403 C VAL A 26 25.858 26.711 13.815 1.00 0.00 C ATOM 404 O VAL A 26 26.144 27.909 13.804 1.00 0.00 O ATOM 405 CB VAL A 26 23.712 25.902 14.866 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.877 26.881 16.031 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.195 25.713 14.718 1.00 0.00 C ATOM 0 H VAL A 26 23.998 24.321 12.980 1.00 0.00 H new ATOM 0 HA VAL A 26 23.907 27.124 13.130 1.00 0.00 H new ATOM 0 HB VAL A 26 24.226 24.969 15.099 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.327 26.512 16.897 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.934 26.972 16.283 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.488 27.858 15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.764 25.457 15.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.747 26.638 14.355 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.996 24.910 14.008 1.00 0.00 H new ATOM 417 N LYS A 27 26.813 25.783 13.882 1.00 0.00 N ATOM 418 CA LYS A 27 28.214 26.019 14.146 1.00 0.00 C ATOM 419 C LYS A 27 28.853 26.840 13.014 1.00 0.00 C ATOM 420 O LYS A 27 29.646 27.757 13.217 1.00 0.00 O ATOM 421 CB LYS A 27 28.895 24.718 14.575 1.00 0.00 C ATOM 422 CG LYS A 27 28.630 24.408 16.046 1.00 0.00 C ATOM 423 CD LYS A 27 28.950 22.942 16.351 1.00 0.00 C ATOM 424 CE LYS A 27 30.388 22.487 16.077 1.00 0.00 C ATOM 425 NZ LYS A 27 30.564 21.028 16.170 1.00 0.00 N ATOM 0 H LYS A 27 26.607 24.793 13.744 1.00 0.00 H new ATOM 0 HA LYS A 27 28.361 26.668 15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.533 23.896 13.958 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.969 24.795 14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.238 25.058 16.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.587 24.616 16.286 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.727 22.755 17.401 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.276 22.316 15.766 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.684 22.819 15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.057 22.973 16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.497 20.816 16.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.822 20.627 16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.497 20.609 15.220 1.00 0.00 H new ATOM 439 N ALA A 28 28.403 26.568 11.796 1.00 0.00 N ATOM 440 CA ALA A 28 28.868 27.125 10.538 1.00 0.00 C ATOM 441 C ALA A 28 28.514 28.601 10.386 1.00 0.00 C ATOM 442 O ALA A 28 29.125 29.256 9.545 1.00 0.00 O ATOM 443 CB ALA A 28 28.266 26.292 9.408 1.00 0.00 C ATOM 0 H ALA A 28 27.645 25.900 11.654 1.00 0.00 H new ATOM 0 HA ALA A 28 29.957 27.080 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.598 26.687 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.591 25.256 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.178 26.337 9.462 1.00 0.00 H new ATOM 449 N LYS A 29 27.612 29.125 11.219 1.00 0.00 N ATOM 450 CA LYS A 29 27.320 30.541 11.222 1.00 0.00 C ATOM 451 C LYS A 29 28.330 31.322 12.063 1.00 0.00 C ATOM 452 O LYS A 29 28.610 32.487 11.782 1.00 0.00 O ATOM 453 CB LYS A 29 25.971 30.759 11.897 1.00 0.00 C ATOM 454 CG LYS A 29 24.726 30.280 11.151 1.00 0.00 C ATOM 455 CD LYS A 29 23.397 30.744 11.750 1.00 0.00 C ATOM 456 CE LYS A 29 22.162 30.016 11.217 1.00 0.00 C ATOM 457 NZ LYS A 29 22.085 29.822 9.761 1.00 0.00 N ATOM 0 H LYS A 29 27.077 28.581 11.896 1.00 0.00 H new ATOM 0 HA LYS A 29 27.344 30.881 10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.995 30.261 12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.859 31.826 12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.783 30.626 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.734 29.190 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.438 30.616 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.282 31.811 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.112 29.037 11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.278 30.570 11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.206 29.319 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.093 30.747 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.901 29.262 9.442 1.00 0.00 H new ATOM 471 N ILE A 30 28.918 30.681 13.071 1.00 0.00 N ATOM 472 CA ILE A 30 29.655 31.304 14.159 1.00 0.00 C ATOM 473 C ILE A 30 31.091 31.611 13.739 1.00 0.00 C ATOM 474 O ILE A 30 31.666 32.493 14.363 1.00 0.00 O ATOM 475 CB ILE A 30 29.661 30.361 15.372 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.213 30.143 15.804 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.422 30.831 16.616 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.116 29.160 16.976 1.00 0.00 C ATOM 0 H ILE A 30 28.890 29.665 13.151 1.00 0.00 H new ATOM 0 HA ILE A 30 29.167 32.243 14.420 1.00 0.00 H new ATOM 0 HB ILE A 30 30.183 29.470 15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.771 31.097 16.091 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.634 29.764 14.962 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.347 30.074 17.396 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.471 30.989 16.363 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.991 31.766 16.975 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.071 29.030 17.256 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.535 28.198 16.680 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.673 29.552 17.827 1.00 0.00 H new ATOM 490 N GLN A 31 31.584 30.977 12.684 1.00 0.00 N ATOM 491 CA GLN A 31 32.910 31.270 12.176 1.00 0.00 C ATOM 492 C GLN A 31 32.953 32.570 11.365 1.00 0.00 C ATOM 493 O GLN A 31 33.933 33.314 11.373 1.00 0.00 O ATOM 494 CB GLN A 31 33.319 30.050 11.346 1.00 0.00 C ATOM 495 CG GLN A 31 34.639 30.122 10.571 1.00 0.00 C ATOM 496 CD GLN A 31 35.394 28.809 10.434 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.830 27.807 10.003 1.00 0.00 O ATOM 498 NE2 GLN A 31 36.656 28.766 10.870 1.00 0.00 N ATOM 0 H GLN A 31 31.082 30.256 12.165 1.00 0.00 H new ATOM 0 HA GLN A 31 33.612 31.441 12.992 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.370 29.192 12.016 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.521 29.849 10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.433 30.507 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 31 35.290 30.845 11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.103 29.612 11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.173 27.887 10.849 1.00 0.00 H new ATOM 507 N ASP A 32 31.858 32.939 10.702 1.00 0.00 N ATOM 508 CA ASP A 32 31.812 34.305 10.208 1.00 0.00 C ATOM 509 C ASP A 32 31.652 35.299 11.360 1.00 0.00 C ATOM 510 O ASP A 32 32.577 36.055 11.671 1.00 0.00 O ATOM 511 CB ASP A 32 30.705 34.345 9.156 1.00 0.00 C ATOM 512 CG ASP A 32 30.174 35.706 8.717 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.929 36.635 8.362 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.961 35.961 8.887 1.00 0.00 O ATOM 0 H ASP A 32 31.045 32.355 10.506 1.00 0.00 H new ATOM 0 HA ASP A 32 32.744 34.614 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 32 31.071 33.829 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.863 33.767 9.537 1.00 0.00 H new ATOM 519 N LYS A 33 30.592 35.144 12.148 1.00 0.00 N ATOM 520 CA LYS A 33 30.034 36.142 13.034 1.00 0.00 C ATOM 521 C LYS A 33 30.741 36.248 14.392 1.00 0.00 C ATOM 522 O LYS A 33 30.775 37.354 14.918 1.00 0.00 O ATOM 523 CB LYS A 33 28.575 35.794 13.343 1.00 0.00 C ATOM 524 CG LYS A 33 27.708 36.571 12.352 1.00 0.00 C ATOM 525 CD LYS A 33 26.212 36.267 12.446 1.00 0.00 C ATOM 526 CE LYS A 33 25.285 37.222 11.703 1.00 0.00 C ATOM 527 NZ LYS A 33 25.144 37.096 10.239 1.00 0.00 N ATOM 0 H LYS A 33 30.075 34.265 12.182 1.00 0.00 H new ATOM 0 HA LYS A 33 30.153 37.088 12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.406 34.722 13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.324 36.064 14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.860 37.638 12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.048 36.351 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.042 35.259 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.928 36.263 13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.291 37.119 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.622 38.237 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.480 37.817 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.071 37.232 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.781 36.150 10.005 1.00 0.00 H new ATOM 541 N GLU A 34 31.332 35.164 14.884 1.00 0.00 N ATOM 542 CA GLU A 34 32.037 35.202 16.142 1.00 0.00 C ATOM 543 C GLU A 34 33.522 34.863 15.940 1.00 0.00 C ATOM 544 O GLU A 34 34.296 34.985 16.891 1.00 0.00 O ATOM 545 CB GLU A 34 31.280 34.413 17.213 1.00 0.00 C ATOM 546 CG GLU A 34 30.148 35.276 17.770 1.00 0.00 C ATOM 547 CD GLU A 34 30.535 36.294 18.834 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.433 36.038 19.668 1.00 0.00 O ATOM 549 OE2 GLU A 34 29.848 37.341 18.837 1.00 0.00 O ATOM 0 H GLU A 34 31.332 34.253 14.425 1.00 0.00 H new ATOM 0 HA GLU A 34 32.059 36.214 16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.877 33.494 16.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.959 34.122 18.014 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.684 35.809 16.940 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.389 34.615 18.189 1.00 0.00 H new ATOM 556 N GLY A 35 33.996 34.471 14.768 1.00 0.00 N ATOM 557 CA GLY A 35 35.325 34.034 14.409 1.00 0.00 C ATOM 558 C GLY A 35 35.800 32.677 14.935 1.00 0.00 C ATOM 559 O GLY A 35 36.940 32.244 14.786 1.00 0.00 O ATOM 0 H GLY A 35 33.381 34.452 13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.387 34.011 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.030 34.791 14.752 1.00 0.00 H new ATOM 563 N ILE A 36 35.005 31.936 15.698 1.00 0.00 N ATOM 564 CA ILE A 36 35.389 30.720 16.382 1.00 0.00 C ATOM 565 C ILE A 36 35.264 29.632 15.311 1.00 0.00 C ATOM 566 O ILE A 36 34.236 29.603 14.637 1.00 0.00 O ATOM 567 CB ILE A 36 34.391 30.488 17.510 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.076 31.743 18.330 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.806 29.225 18.275 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.242 32.452 19.013 1.00 0.00 C ATOM 0 H ILE A 36 34.029 32.184 15.860 1.00 0.00 H new ATOM 0 HA ILE A 36 36.390 30.742 16.813 1.00 0.00 H new ATOM 0 HB ILE A 36 33.400 30.284 17.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 33.586 32.460 17.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.353 31.470 19.098 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.102 29.044 19.087 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.805 28.372 17.597 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.806 29.361 18.686 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.871 33.321 19.556 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.726 31.768 19.710 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.963 32.774 18.261 1.00 0.00 H new ATOM 582 N PRO A 37 36.182 28.668 15.209 1.00 0.00 N ATOM 583 CA PRO A 37 36.118 27.553 14.286 1.00 0.00 C ATOM 584 C PRO A 37 35.290 26.478 14.996 1.00 0.00 C ATOM 585 O PRO A 37 35.536 26.327 16.193 1.00 0.00 O ATOM 586 CB PRO A 37 37.553 27.066 14.154 1.00 0.00 C ATOM 587 CG PRO A 37 38.227 27.451 15.473 1.00 0.00 C ATOM 588 CD PRO A 37 37.427 28.658 15.952 1.00 0.00 C ATOM 0 HA PRO A 37 35.689 27.795 13.314 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.590 25.989 13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.052 27.534 13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.190 26.635 16.194 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.278 27.700 15.327 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.236 28.592 17.023 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.983 29.580 15.783 1.00 0.00 H new ATOM 596 N PRO A 38 34.855 25.446 14.283 1.00 0.00 N ATOM 597 CA PRO A 38 34.279 24.263 14.891 1.00 0.00 C ATOM 598 C PRO A 38 35.269 23.222 15.415 1.00 0.00 C ATOM 599 O PRO A 38 34.898 22.490 16.336 1.00 0.00 O ATOM 600 CB PRO A 38 33.385 23.649 13.821 1.00 0.00 C ATOM 601 CG PRO A 38 34.050 24.047 12.500 1.00 0.00 C ATOM 602 CD PRO A 38 34.655 25.405 12.851 1.00 0.00 C ATOM 0 HA PRO A 38 33.749 24.572 15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.325 22.566 13.926 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.367 24.032 13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.810 23.328 12.192 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.330 24.119 11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.601 25.547 12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.993 26.211 12.535 1.00 0.00 H new ATOM 610 N ASP A 39 36.489 23.240 14.896 1.00 0.00 N ATOM 611 CA ASP A 39 37.627 22.388 15.175 1.00 0.00 C ATOM 612 C ASP A 39 37.924 22.401 16.674 1.00 0.00 C ATOM 613 O ASP A 39 38.072 21.314 17.220 1.00 0.00 O ATOM 614 CB ASP A 39 38.674 22.676 14.103 1.00 0.00 C ATOM 615 CG ASP A 39 40.070 22.448 14.675 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.468 23.247 15.551 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.784 21.468 14.342 1.00 0.00 O ATOM 0 H ASP A 39 36.727 23.934 14.188 1.00 0.00 H new ATOM 0 HA ASP A 39 37.497 21.312 15.058 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.513 22.029 13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.577 23.704 13.753 1.00 0.00 H new ATOM 622 N GLN A 40 38.026 23.556 17.333 1.00 0.00 N ATOM 623 CA GLN A 40 38.266 23.598 18.756 1.00 0.00 C ATOM 624 C GLN A 40 37.032 23.336 19.628 1.00 0.00 C ATOM 625 O GLN A 40 37.212 23.198 20.831 1.00 0.00 O ATOM 626 CB GLN A 40 38.628 25.067 19.010 1.00 0.00 C ATOM 627 CG GLN A 40 39.881 25.589 18.313 1.00 0.00 C ATOM 628 CD GLN A 40 41.145 24.877 18.770 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.607 25.136 19.880 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.681 23.992 17.930 1.00 0.00 N ATOM 0 H GLN A 40 37.944 24.472 16.892 1.00 0.00 H new ATOM 0 HA GLN A 40 39.004 22.837 19.009 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.784 25.685 18.703 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.751 25.207 20.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.770 25.468 17.235 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.981 26.657 18.505 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.248 23.823 17.022 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.524 23.483 18.195 1.00 0.00 H new ATOM 639 N GLN A 41 35.835 23.548 19.078 1.00 0.00 N ATOM 640 CA GLN A 41 34.602 23.831 19.782 1.00 0.00 C ATOM 641 C GLN A 41 33.853 22.577 20.229 1.00 0.00 C ATOM 642 O GLN A 41 33.988 21.486 19.674 1.00 0.00 O ATOM 643 CB GLN A 41 33.783 24.503 18.677 1.00 0.00 C ATOM 644 CG GLN A 41 32.476 25.097 19.201 1.00 0.00 C ATOM 645 CD GLN A 41 31.687 25.945 18.219 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.502 26.196 18.465 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.246 26.140 17.028 1.00 0.00 N ATOM 0 H GLN A 41 35.702 23.523 18.067 1.00 0.00 H new ATOM 0 HA GLN A 41 34.775 24.405 20.692 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.378 25.291 18.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.561 23.774 17.898 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.838 24.280 19.538 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.702 25.706 20.076 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.230 25.914 16.883 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.691 26.515 16.259 1.00 0.00 H new ATOM 656 N ARG A 42 33.073 22.795 21.284 1.00 0.00 N ATOM 657 CA ARG A 42 32.244 21.844 22.005 1.00 0.00 C ATOM 658 C ARG A 42 31.049 22.504 22.693 1.00 0.00 C ATOM 659 O ARG A 42 31.223 23.535 23.324 1.00 0.00 O ATOM 660 CB ARG A 42 33.173 20.915 22.791 1.00 0.00 C ATOM 661 CG ARG A 42 32.529 20.114 23.926 1.00 0.00 C ATOM 662 CD ARG A 42 33.505 19.195 24.650 1.00 0.00 C ATOM 663 NE ARG A 42 34.294 18.327 23.772 1.00 0.00 N ATOM 664 CZ ARG A 42 35.576 18.513 23.418 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.330 19.431 24.034 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.061 17.717 22.455 1.00 0.00 N ATOM 0 H ARG A 42 33.001 23.728 21.690 1.00 0.00 H new ATOM 0 HA ARG A 42 31.689 21.172 21.350 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.627 20.213 22.091 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.981 21.514 23.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.091 20.806 24.646 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.712 19.517 23.521 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.186 19.805 25.243 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.946 18.572 25.348 1.00 0.00 H new ATOM 0 HE ARG A 42 33.825 17.504 23.394 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.932 19.999 24.782 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.302 19.562 23.756 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.462 17.011 22.028 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.029 17.818 22.150 1.00 0.00 H new ATOM 680 N LEU A 43 29.906 21.820 22.647 1.00 0.00 N ATOM 681 CA LEU A 43 28.714 22.392 23.234 1.00 0.00 C ATOM 682 C LEU A 43 28.085 21.455 24.260 1.00 0.00 C ATOM 683 O LEU A 43 27.915 20.288 23.915 1.00 0.00 O ATOM 684 CB LEU A 43 27.626 22.584 22.171 1.00 0.00 C ATOM 685 CG LEU A 43 27.811 23.781 21.245 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.932 23.657 19.999 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.451 25.052 22.026 1.00 0.00 C ATOM 0 H LEU A 43 29.789 20.900 22.222 1.00 0.00 H new ATOM 0 HA LEU A 43 29.031 23.332 23.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.575 21.681 21.562 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.665 22.683 22.675 1.00 0.00 H new ATOM 0 HG LEU A 43 28.847 23.823 20.909 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.085 24.525 19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.199 22.751 19.454 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.885 23.606 20.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.576 25.922 21.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.415 24.993 22.359 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.106 25.144 22.892 1.00 0.00 H new ATOM 699 N ILE A 44 27.747 21.973 25.442 1.00 0.00 N ATOM 700 CA ILE A 44 27.130 21.268 26.537 1.00 0.00 C ATOM 701 C ILE A 44 25.746 21.817 26.889 1.00 0.00 C ATOM 702 O ILE A 44 25.553 23.034 26.995 1.00 0.00 O ATOM 703 CB ILE A 44 28.161 21.291 27.665 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.118 20.103 27.595 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.567 21.347 29.072 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.455 20.481 26.957 1.00 0.00 C ATOM 0 H ILE A 44 27.912 22.956 25.661 1.00 0.00 H new ATOM 0 HA ILE A 44 26.893 20.234 26.287 1.00 0.00 H new ATOM 0 HB ILE A 44 28.699 22.224 27.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.292 19.718 28.600 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.657 19.299 27.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.372 21.360 29.807 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.965 22.250 29.177 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.939 20.471 29.237 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.104 19.606 26.928 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.285 20.841 25.942 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.930 21.266 27.546 1.00 0.00 H new ATOM 718 N PHE A 45 24.724 20.980 26.811 1.00 0.00 N ATOM 719 CA PHE A 45 23.371 21.358 27.181 1.00 0.00 C ATOM 720 C PHE A 45 22.908 20.427 28.301 1.00 0.00 C ATOM 721 O PHE A 45 22.972 19.229 28.063 1.00 0.00 O ATOM 722 CB PHE A 45 22.403 21.574 26.019 1.00 0.00 C ATOM 723 CG PHE A 45 20.926 21.634 26.286 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.086 20.517 26.293 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.438 22.894 26.653 1.00 0.00 C ATOM 726 CE1 PHE A 45 18.804 20.698 26.835 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.092 23.093 26.974 1.00 0.00 C ATOM 728 CZ PHE A 45 18.257 21.968 27.041 1.00 0.00 C ATOM 0 H PHE A 45 24.811 20.016 26.488 1.00 0.00 H new ATOM 0 HA PHE A 45 23.378 22.374 27.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.684 22.506 25.529 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.572 20.772 25.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.407 19.563 25.901 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.118 23.732 26.689 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.222 19.828 27.101 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.707 24.084 27.165 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.203 22.082 27.249 1.00 0.00 H new ATOM 738 N ALA A 46 22.577 20.981 29.464 1.00 0.00 N ATOM 739 CA ALA A 46 22.140 20.217 30.625 1.00 0.00 C ATOM 740 C ALA A 46 23.087 19.126 31.134 1.00 0.00 C ATOM 741 O ALA A 46 22.579 18.171 31.716 1.00 0.00 O ATOM 742 CB ALA A 46 20.766 19.613 30.352 1.00 0.00 C ATOM 0 H ALA A 46 22.606 21.987 29.627 1.00 0.00 H new ATOM 0 HA ALA A 46 22.118 20.949 31.432 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.440 19.042 31.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.051 20.411 30.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.824 18.954 29.486 1.00 0.00 H new ATOM 748 N GLY A 47 24.384 19.259 30.875 1.00 0.00 N ATOM 749 CA GLY A 47 25.414 18.282 31.179 1.00 0.00 C ATOM 750 C GLY A 47 25.692 17.342 30.003 1.00 0.00 C ATOM 751 O GLY A 47 26.675 16.610 30.062 1.00 0.00 O ATOM 0 H GLY A 47 24.760 20.094 30.425 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.333 18.800 31.452 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.110 17.695 32.046 1.00 0.00 H new ATOM 755 N LYS A 48 24.890 17.207 28.955 1.00 0.00 N ATOM 756 CA LYS A 48 24.955 16.277 27.842 1.00 0.00 C ATOM 757 C LYS A 48 25.775 16.989 26.761 1.00 0.00 C ATOM 758 O LYS A 48 25.283 17.998 26.238 1.00 0.00 O ATOM 759 CB LYS A 48 23.577 15.933 27.295 1.00 0.00 C ATOM 760 CG LYS A 48 22.799 15.105 28.315 1.00 0.00 C ATOM 761 CD LYS A 48 21.361 14.833 27.882 1.00 0.00 C ATOM 762 CE LYS A 48 20.444 13.937 28.713 1.00 0.00 C ATOM 763 NZ LYS A 48 19.036 14.024 28.295 1.00 0.00 N ATOM 0 H LYS A 48 24.083 17.822 28.857 1.00 0.00 H new ATOM 0 HA LYS A 48 25.400 15.335 28.162 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.030 16.847 27.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.676 15.377 26.363 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.312 14.156 28.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.793 15.627 29.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.866 15.800 27.793 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.405 14.404 26.881 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.780 12.903 28.631 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.525 14.216 29.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.458 13.397 28.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.703 15.004 28.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.950 13.732 27.300 1.00 0.00 H new ATOM 777 N GLN A 49 26.956 16.453 26.469 1.00 0.00 N ATOM 778 CA GLN A 49 27.653 16.920 25.291 1.00 0.00 C ATOM 779 C GLN A 49 26.843 16.496 24.073 1.00 0.00 C ATOM 780 O GLN A 49 26.360 15.385 23.871 1.00 0.00 O ATOM 781 CB GLN A 49 29.095 16.397 25.340 1.00 0.00 C ATOM 782 CG GLN A 49 29.330 14.946 24.924 1.00 0.00 C ATOM 783 CD GLN A 49 29.693 14.865 23.445 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.553 15.572 22.942 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.122 13.903 22.731 1.00 0.00 N ATOM 0 H GLN A 49 27.428 15.728 27.008 1.00 0.00 H new ATOM 0 HA GLN A 49 27.738 18.005 25.237 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.706 17.034 24.701 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.464 16.520 26.358 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.131 14.515 25.525 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.434 14.357 25.117 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.404 13.313 23.152 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.401 13.753 21.761 1.00 0.00 H new ATOM 794 N LEU A 50 26.716 17.431 23.126 1.00 0.00 N ATOM 795 CA LEU A 50 25.997 17.199 21.894 1.00 0.00 C ATOM 796 C LEU A 50 26.854 16.535 20.812 1.00 0.00 C ATOM 797 O LEU A 50 27.961 16.979 20.524 1.00 0.00 O ATOM 798 CB LEU A 50 25.625 18.569 21.314 1.00 0.00 C ATOM 799 CG LEU A 50 24.355 19.185 21.892 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.448 19.535 23.379 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.733 20.372 21.149 1.00 0.00 C ATOM 0 H LEU A 50 27.114 18.367 23.203 1.00 0.00 H new ATOM 0 HA LEU A 50 25.151 16.555 22.135 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.454 19.256 21.482 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.506 18.471 20.235 1.00 0.00 H new ATOM 0 HG LEU A 50 23.674 18.347 21.741 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.504 19.968 23.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.655 18.632 23.953 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.251 20.255 23.534 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.838 20.703 21.676 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.451 21.191 21.105 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.466 20.068 20.137 1.00 0.00 H new ATOM 813 N GLU A 51 26.247 15.541 20.185 1.00 0.00 N ATOM 814 CA GLU A 51 26.835 14.730 19.143 1.00 0.00 C ATOM 815 C GLU A 51 26.474 15.432 17.839 1.00 0.00 C ATOM 816 O GLU A 51 25.480 16.151 17.710 1.00 0.00 O ATOM 817 CB GLU A 51 26.380 13.268 19.109 1.00 0.00 C ATOM 818 CG GLU A 51 26.434 12.674 20.507 1.00 0.00 C ATOM 819 CD GLU A 51 25.847 11.271 20.479 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.775 11.140 19.857 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.411 10.479 21.272 1.00 0.00 O ATOM 0 H GLU A 51 25.288 15.269 20.402 1.00 0.00 H new ATOM 0 HA GLU A 51 27.908 14.654 19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.365 13.203 18.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.019 12.695 18.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.464 12.643 20.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.876 13.301 21.203 1.00 0.00 H new ATOM 828 N ASP A 52 27.228 15.178 16.767 1.00 0.00 N ATOM 829 CA ASP A 52 27.061 15.684 15.418 1.00 0.00 C ATOM 830 C ASP A 52 25.873 15.028 14.704 1.00 0.00 C ATOM 831 O ASP A 52 25.458 13.929 15.085 1.00 0.00 O ATOM 832 CB ASP A 52 28.405 15.574 14.713 1.00 0.00 C ATOM 833 CG ASP A 52 28.500 16.415 13.445 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.473 16.933 12.945 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.647 16.584 12.979 1.00 0.00 O ATOM 0 H ASP A 52 28.037 14.560 16.835 1.00 0.00 H new ATOM 0 HA ASP A 52 26.783 16.738 15.417 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.193 15.879 15.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.589 14.530 14.461 1.00 0.00 H new ATOM 840 N GLY A 53 25.299 15.711 13.717 1.00 0.00 N ATOM 841 CA GLY A 53 24.294 15.225 12.799 1.00 0.00 C ATOM 842 C GLY A 53 22.833 15.478 13.194 1.00 0.00 C ATOM 843 O GLY A 53 21.906 15.160 12.458 1.00 0.00 O ATOM 0 H GLY A 53 25.546 16.683 13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.469 15.683 11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.434 14.151 12.676 1.00 0.00 H new ATOM 847 N ARG A 54 22.672 15.817 14.472 1.00 0.00 N ATOM 848 CA ARG A 54 21.392 15.856 15.134 1.00 0.00 C ATOM 849 C ARG A 54 20.834 17.270 14.984 1.00 0.00 C ATOM 850 O ARG A 54 21.591 18.193 14.680 1.00 0.00 O ATOM 851 CB ARG A 54 21.486 15.338 16.571 1.00 0.00 C ATOM 852 CG ARG A 54 21.994 13.939 16.951 1.00 0.00 C ATOM 853 CD ARG A 54 21.288 12.931 16.048 1.00 0.00 C ATOM 854 NE ARG A 54 21.636 11.557 16.406 1.00 0.00 N ATOM 855 CZ ARG A 54 20.975 10.412 16.615 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.682 10.306 16.286 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.500 9.258 17.054 1.00 0.00 N ATOM 0 H ARG A 54 23.450 16.075 15.079 1.00 0.00 H new ATOM 0 HA ARG A 54 20.680 15.174 14.669 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.116 16.046 17.109 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.483 15.421 16.990 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.075 13.876 16.823 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.784 13.727 17.999 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.209 13.066 16.124 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.560 13.118 15.009 1.00 0.00 H new ATOM 0 HE ARG A 54 22.642 11.441 16.528 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.194 11.101 15.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.185 9.430 16.448 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.497 9.198 17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.903 8.441 17.179 1.00 0.00 H new ATOM 871 N THR A 55 19.532 17.439 15.168 1.00 0.00 N ATOM 872 CA THR A 55 18.896 18.746 15.255 1.00 0.00 C ATOM 873 C THR A 55 18.998 19.252 16.691 1.00 0.00 C ATOM 874 O THR A 55 19.377 18.530 17.608 1.00 0.00 O ATOM 875 CB THR A 55 17.439 18.630 14.789 1.00 0.00 C ATOM 876 OG1 THR A 55 16.762 17.719 15.633 1.00 0.00 O ATOM 877 CG2 THR A 55 17.217 18.080 13.378 1.00 0.00 C ATOM 0 H THR A 55 18.879 16.661 15.262 1.00 0.00 H new ATOM 0 HA THR A 55 19.396 19.466 14.607 1.00 0.00 H new ATOM 0 HB THR A 55 17.078 19.658 14.813 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.101 16.813 15.475 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.149 18.046 13.165 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.711 18.727 12.653 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.633 17.075 13.310 1.00 0.00 H new ATOM 885 N LEU A 56 18.724 20.530 16.947 1.00 0.00 N ATOM 886 CA LEU A 56 18.546 21.054 18.287 1.00 0.00 C ATOM 887 C LEU A 56 17.421 20.449 19.121 1.00 0.00 C ATOM 888 O LEU A 56 17.557 20.157 20.311 1.00 0.00 O ATOM 889 CB LEU A 56 18.409 22.573 18.211 1.00 0.00 C ATOM 890 CG LEU A 56 19.709 23.313 17.873 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.305 24.678 17.341 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.574 23.495 19.128 1.00 0.00 C ATOM 0 H LEU A 56 18.619 21.234 16.216 1.00 0.00 H new ATOM 0 HA LEU A 56 19.442 20.753 18.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.659 22.820 17.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.035 22.940 19.167 1.00 0.00 H new ATOM 0 HG LEU A 56 20.291 22.748 17.145 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.198 25.247 17.084 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.686 24.554 16.452 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.740 25.213 18.104 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.491 24.022 18.865 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.023 24.074 19.869 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.823 22.518 19.543 1.00 0.00 H new ATOM 904 N SER A 57 16.283 20.223 18.466 1.00 0.00 N ATOM 905 CA SER A 57 15.091 19.498 18.882 1.00 0.00 C ATOM 906 C SER A 57 15.311 18.073 19.370 1.00 0.00 C ATOM 907 O SER A 57 14.661 17.700 20.349 1.00 0.00 O ATOM 908 CB SER A 57 14.041 19.519 17.773 1.00 0.00 C ATOM 909 OG SER A 57 12.919 18.696 17.988 1.00 0.00 O ATOM 0 H SER A 57 16.165 20.588 17.521 1.00 0.00 H new ATOM 0 HA SER A 57 14.740 20.038 19.761 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.698 20.545 17.640 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.517 19.219 16.839 1.00 0.00 H new ATOM 0 HG SER A 57 12.304 18.776 17.229 1.00 0.00 H new ATOM 915 N ASP A 58 16.399 17.405 18.964 1.00 0.00 N ATOM 916 CA ASP A 58 16.819 16.111 19.468 1.00 0.00 C ATOM 917 C ASP A 58 17.434 16.125 20.870 1.00 0.00 C ATOM 918 O ASP A 58 17.438 15.048 21.452 1.00 0.00 O ATOM 919 CB ASP A 58 17.943 15.667 18.537 1.00 0.00 C ATOM 920 CG ASP A 58 17.336 15.172 17.234 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.377 14.366 17.194 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.991 15.458 16.214 1.00 0.00 O ATOM 0 H ASP A 58 17.027 17.773 18.249 1.00 0.00 H new ATOM 0 HA ASP A 58 15.935 15.475 19.512 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.623 16.497 18.345 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.529 14.876 19.004 1.00 0.00 H new ATOM 927 N TYR A 59 17.883 17.262 21.393 1.00 0.00 N ATOM 928 CA TYR A 59 18.331 17.395 22.764 1.00 0.00 C ATOM 929 C TYR A 59 17.277 18.096 23.618 1.00 0.00 C ATOM 930 O TYR A 59 17.581 18.360 24.787 1.00 0.00 O ATOM 931 CB TYR A 59 19.672 18.135 22.767 1.00 0.00 C ATOM 932 CG TYR A 59 20.773 17.191 22.354 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.058 17.021 20.990 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.376 16.281 23.231 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.996 16.071 20.553 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.298 15.316 22.797 1.00 0.00 C ATOM 937 CZ TYR A 59 22.726 15.302 21.464 1.00 0.00 C ATOM 938 OH TYR A 59 23.678 14.418 21.030 1.00 0.00 O ATOM 0 H TYR A 59 17.944 18.130 20.861 1.00 0.00 H new ATOM 0 HA TYR A 59 18.475 16.411 23.210 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.632 18.984 22.084 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.876 18.535 23.760 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.546 17.633 20.262 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.122 16.323 24.280 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.156 15.932 19.494 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.678 14.583 23.493 1.00 0.00 H new ATOM 0 HH TYR A 59 23.566 14.263 20.069 1.00 0.00 H new ATOM 948 N ASN A 60 16.095 18.374 23.071 1.00 0.00 N ATOM 949 CA ASN A 60 14.961 18.943 23.777 1.00 0.00 C ATOM 950 C ASN A 60 15.210 20.420 24.059 1.00 0.00 C ATOM 951 O ASN A 60 14.696 20.957 25.037 1.00 0.00 O ATOM 952 CB ASN A 60 14.526 18.224 25.055 1.00 0.00 C ATOM 953 CG ASN A 60 13.018 18.013 25.068 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.382 17.074 24.577 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.292 18.784 25.860 1.00 0.00 N ATOM 0 H ASN A 60 15.899 18.200 22.085 1.00 0.00 H new ATOM 0 HA ASN A 60 14.120 18.807 23.097 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.033 17.262 25.127 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.824 18.808 25.926 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.306 18.573 26.013 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.718 19.589 26.318 1.00 0.00 H new ATOM 962 N ILE A 61 15.899 21.160 23.197 1.00 0.00 N ATOM 963 CA ILE A 61 16.336 22.514 23.505 1.00 0.00 C ATOM 964 C ILE A 61 15.304 23.560 23.085 1.00 0.00 C ATOM 965 O ILE A 61 14.792 23.444 21.979 1.00 0.00 O ATOM 966 CB ILE A 61 17.695 22.774 22.861 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.793 21.796 23.282 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.169 24.221 22.818 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.081 21.730 22.471 1.00 0.00 C ATOM 0 H ILE A 61 16.169 20.838 22.268 1.00 0.00 H new ATOM 0 HA ILE A 61 16.437 22.604 24.587 1.00 0.00 H new ATOM 0 HB ILE A 61 17.478 22.555 21.815 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.065 22.031 24.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.358 20.797 23.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.146 24.270 22.337 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.456 24.821 22.253 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.245 24.609 23.834 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.748 20.986 22.907 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.850 21.451 21.443 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.568 22.705 22.482 1.00 0.00 H new ATOM 981 N GLN A 62 15.008 24.583 23.890 1.00 0.00 N ATOM 982 CA GLN A 62 13.836 25.431 23.795 1.00 0.00 C ATOM 983 C GLN A 62 14.180 26.916 23.838 1.00 0.00 C ATOM 984 O GLN A 62 15.328 27.310 24.021 1.00 0.00 O ATOM 985 CB GLN A 62 12.884 25.034 24.917 1.00 0.00 C ATOM 986 CG GLN A 62 12.255 23.637 24.847 1.00 0.00 C ATOM 987 CD GLN A 62 11.051 23.706 23.924 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.192 24.579 24.035 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.944 22.831 22.920 1.00 0.00 N ATOM 0 H GLN A 62 15.617 24.849 24.664 1.00 0.00 H new ATOM 0 HA GLN A 62 13.358 25.281 22.827 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.424 25.114 25.861 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.077 25.766 24.949 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.979 22.912 24.474 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.954 23.305 25.841 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.643 22.097 22.806 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.163 22.897 22.267 1.00 0.00 H new ATOM 998 N LYS A 63 13.200 27.796 23.638 1.00 0.00 N ATOM 999 CA LYS A 63 13.315 29.237 23.597 1.00 0.00 C ATOM 1000 C LYS A 63 13.894 29.789 24.892 1.00 0.00 C ATOM 1001 O LYS A 63 13.257 29.607 25.937 1.00 0.00 O ATOM 1002 CB LYS A 63 12.001 29.907 23.200 1.00 0.00 C ATOM 1003 CG LYS A 63 12.088 31.434 23.236 1.00 0.00 C ATOM 1004 CD LYS A 63 10.886 32.100 22.564 1.00 0.00 C ATOM 1005 CE LYS A 63 9.594 32.112 23.382 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.469 32.852 22.770 1.00 0.00 N ATOM 0 H LYS A 63 12.239 27.489 23.491 1.00 0.00 H new ATOM 0 HA LYS A 63 14.026 29.485 22.809 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.722 29.586 22.197 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.210 29.575 23.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.153 31.768 24.272 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.003 31.755 22.739 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.152 33.129 22.323 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.692 31.591 21.620 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.281 31.082 23.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.805 32.546 24.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.640 32.804 23.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.741 33.846 22.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.233 32.427 21.851 1.00 0.00 H new ATOM 1020 N GLU A 64 15.008 30.507 24.948 1.00 0.00 N ATOM 1021 CA GLU A 64 15.679 31.129 26.073 1.00 0.00 C ATOM 1022 C GLU A 64 16.145 30.135 27.140 1.00 0.00 C ATOM 1023 O GLU A 64 16.091 30.345 28.349 1.00 0.00 O ATOM 1024 CB GLU A 64 15.020 32.404 26.606 1.00 0.00 C ATOM 1025 CG GLU A 64 14.675 33.528 25.635 1.00 0.00 C ATOM 1026 CD GLU A 64 13.427 34.303 26.027 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.769 34.026 27.048 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.143 35.298 25.319 1.00 0.00 O ATOM 0 H GLU A 64 15.527 30.688 24.089 1.00 0.00 H new ATOM 0 HA GLU A 64 16.606 31.515 25.649 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.098 32.111 27.108 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.680 32.820 27.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.517 34.217 25.574 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.535 33.108 24.639 1.00 0.00 H new ATOM 1035 N SER A 65 16.531 28.962 26.651 1.00 0.00 N ATOM 1036 CA SER A 65 17.378 27.957 27.253 1.00 0.00 C ATOM 1037 C SER A 65 18.787 28.463 26.920 1.00 0.00 C ATOM 1038 O SER A 65 18.981 29.273 26.018 1.00 0.00 O ATOM 1039 CB SER A 65 17.274 26.627 26.506 1.00 0.00 C ATOM 1040 OG SER A 65 16.069 25.944 26.764 1.00 0.00 O ATOM 0 H SER A 65 16.221 28.668 25.725 1.00 0.00 H new ATOM 0 HA SER A 65 17.130 27.812 28.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.359 26.810 25.435 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.113 25.991 26.788 1.00 0.00 H new ATOM 0 HG SER A 65 16.219 24.978 26.692 1.00 0.00 H new ATOM 1046 N THR A 66 19.755 28.010 27.719 1.00 0.00 N ATOM 1047 CA THR A 66 21.123 28.406 27.499 1.00 0.00 C ATOM 1048 C THR A 66 21.979 27.135 27.394 1.00 0.00 C ATOM 1049 O THR A 66 21.812 26.258 28.231 1.00 0.00 O ATOM 1050 CB THR A 66 21.536 29.173 28.750 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.521 30.119 29.019 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.901 29.862 28.650 1.00 0.00 C ATOM 0 H THR A 66 19.609 27.380 28.508 1.00 0.00 H new ATOM 0 HA THR A 66 21.244 29.004 26.596 1.00 0.00 H new ATOM 0 HB THR A 66 21.651 28.454 29.562 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.755 30.630 29.822 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.115 30.383 29.583 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.673 29.115 28.467 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.888 30.579 27.829 1.00 0.00 H new ATOM 1060 N LEU A 67 22.869 27.109 26.413 1.00 0.00 N ATOM 1061 CA LEU A 67 23.910 26.125 26.166 1.00 0.00 C ATOM 1062 C LEU A 67 25.217 26.690 26.719 1.00 0.00 C ATOM 1063 O LEU A 67 25.536 27.872 26.596 1.00 0.00 O ATOM 1064 CB LEU A 67 24.155 26.029 24.663 1.00 0.00 C ATOM 1065 CG LEU A 67 23.263 25.045 23.910 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.961 25.732 23.490 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.852 24.493 22.613 1.00 0.00 C ATOM 0 H LEU A 67 22.881 27.844 25.706 1.00 0.00 H new ATOM 0 HA LEU A 67 23.619 25.171 26.605 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.021 27.019 24.227 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.195 25.747 24.500 1.00 0.00 H new ATOM 0 HG LEU A 67 23.129 24.225 24.616 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.332 25.022 22.954 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.434 26.086 24.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.189 26.577 22.841 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.142 23.804 22.155 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.055 25.315 21.927 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.780 23.965 22.831 1.00 0.00 H new ATOM 1079 N HIS A 68 26.017 25.784 27.280 1.00 0.00 N ATOM 1080 CA HIS A 68 27.439 25.973 27.482 1.00 0.00 C ATOM 1081 C HIS A 68 28.160 25.888 26.134 1.00 0.00 C ATOM 1082 O HIS A 68 27.923 25.054 25.268 1.00 0.00 O ATOM 1083 CB HIS A 68 27.877 24.954 28.533 1.00 0.00 C ATOM 1084 CG HIS A 68 29.232 25.224 29.120 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.684 26.518 29.367 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.238 24.360 29.460 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.897 26.344 29.896 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.198 25.066 30.161 1.00 0.00 N ATOM 0 H HIS A 68 25.679 24.880 27.612 1.00 0.00 H new ATOM 0 HA HIS A 68 27.698 26.960 27.866 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.141 24.938 29.337 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.879 23.961 28.083 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.275 23.307 29.222 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.575 27.161 30.093 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.954 24.701 30.741 1.00 0.00 H new ATOM 1096 N LEU A 69 29.249 26.647 26.076 1.00 0.00 N ATOM 1097 CA LEU A 69 30.227 26.575 24.998 1.00 0.00 C ATOM 1098 C LEU A 69 31.613 26.585 25.637 1.00 0.00 C ATOM 1099 O LEU A 69 31.897 27.563 26.319 1.00 0.00 O ATOM 1100 CB LEU A 69 30.042 27.694 23.978 1.00 0.00 C ATOM 1101 CG LEU A 69 31.093 27.497 22.882 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.437 27.778 21.527 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.367 28.347 23.015 1.00 0.00 C ATOM 0 H LEU A 69 29.480 27.340 26.788 1.00 0.00 H new ATOM 0 HA LEU A 69 30.092 25.656 24.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.038 27.665 23.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.161 28.668 24.452 1.00 0.00 H new ATOM 0 HG LEU A 69 31.434 26.466 22.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.171 27.643 20.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.606 27.089 21.375 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.066 28.803 21.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.040 28.126 22.186 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.103 29.404 22.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.863 28.114 23.957 1.00 0.00 H new ATOM 1115 N VAL A 70 32.454 25.650 25.215 1.00 0.00 N ATOM 1116 CA VAL A 70 33.875 25.525 25.491 1.00 0.00 C ATOM 1117 C VAL A 70 34.660 25.259 24.205 1.00 0.00 C ATOM 1118 O VAL A 70 34.191 24.811 23.161 1.00 0.00 O ATOM 1119 CB VAL A 70 34.229 24.456 26.527 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.845 25.017 27.899 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.586 23.120 26.177 1.00 0.00 C ATOM 0 H VAL A 70 32.126 24.892 24.616 1.00 0.00 H new ATOM 0 HA VAL A 70 34.160 26.485 25.922 1.00 0.00 H new ATOM 0 HB VAL A 70 35.296 24.234 26.540 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.081 24.284 28.671 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.403 25.934 28.086 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.777 25.232 27.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.854 22.379 26.930 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.502 23.234 26.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.941 22.790 25.201 1.00 0.00 H new ATOM 1131 N LEU A 71 35.927 25.693 24.250 1.00 0.00 N ATOM 1132 CA LEU A 71 36.981 25.605 23.265 1.00 0.00 C ATOM 1133 C LEU A 71 38.198 24.920 23.881 1.00 0.00 C ATOM 1134 O LEU A 71 38.707 25.393 24.896 1.00 0.00 O ATOM 1135 CB LEU A 71 37.257 26.968 22.632 1.00 0.00 C ATOM 1136 CG LEU A 71 37.738 28.227 23.365 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.669 29.159 22.596 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.651 29.000 24.110 1.00 0.00 C ATOM 0 H LEU A 71 36.264 26.170 25.086 1.00 0.00 H new ATOM 0 HA LEU A 71 36.671 24.977 22.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.994 26.784 21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.330 27.254 22.135 1.00 0.00 H new ATOM 0 HG LEU A 71 38.375 27.772 24.124 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.934 30.008 23.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.573 28.619 22.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.165 29.516 21.698 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.091 29.871 24.594 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.887 29.325 23.404 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.198 28.356 24.864 1.00 0.00 H new ATOM 1150 N ARG A 72 38.649 23.795 23.318 1.00 0.00 N ATOM 1151 CA ARG A 72 39.945 23.183 23.508 1.00 0.00 C ATOM 1152 C ARG A 72 40.034 22.113 24.597 1.00 0.00 C ATOM 1153 O ARG A 72 41.012 21.385 24.688 1.00 0.00 O ATOM 1154 CB ARG A 72 41.121 24.117 23.197 1.00 0.00 C ATOM 1155 CG ARG A 72 42.542 23.561 23.156 1.00 0.00 C ATOM 1156 CD ARG A 72 43.395 24.721 22.675 1.00 0.00 C ATOM 1157 NE ARG A 72 44.653 24.226 22.100 1.00 0.00 N ATOM 1158 CZ ARG A 72 45.140 24.265 20.861 1.00 0.00 C ATOM 1159 NH1 ARG A 72 44.255 24.772 19.974 1.00 0.00 N ATOM 1160 NH2 ARG A 72 46.321 23.788 20.451 1.00 0.00 N ATOM 0 H ARG A 72 38.068 23.259 22.674 1.00 0.00 H new ATOM 0 HA ARG A 72 40.098 22.470 22.698 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.924 24.576 22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 72 41.106 24.916 23.938 1.00 0.00 H new ATOM 0 HG2 ARG A 72 42.861 23.216 24.140 1.00 0.00 H new ATOM 0 HG3 ARG A 72 42.615 22.709 22.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 42.849 25.298 21.929 1.00 0.00 H new ATOM 0 HD3 ARG A 72 43.607 25.394 23.506 1.00 0.00 H new ATOM 0 HE ARG A 72 45.267 23.768 22.774 1.00 0.00 H new ATOM 0 HH11 ARG A 72 43.332 25.072 20.289 1.00 0.00 H new ATOM 0 HH12 ARG A 72 44.510 24.854 18.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 46.949 23.339 21.118 1.00 0.00 H new ATOM 0 HH22 ARG A 72 46.593 23.873 19.472 1.00 0.00 H new ATOM 1174 N LEU A 73 39.002 21.960 25.420 1.00 0.00 N ATOM 1175 CA LEU A 73 38.940 21.027 26.526 1.00 0.00 C ATOM 1176 C LEU A 73 37.610 20.307 26.749 1.00 0.00 C ATOM 1177 O LEU A 73 36.674 20.937 26.278 1.00 0.00 O ATOM 1178 CB LEU A 73 39.597 21.494 27.826 1.00 0.00 C ATOM 1179 CG LEU A 73 39.064 22.730 28.552 1.00 0.00 C ATOM 1180 CD1 LEU A 73 37.924 22.443 29.533 1.00 0.00 C ATOM 1181 CD2 LEU A 73 40.196 23.359 29.360 1.00 0.00 C ATOM 0 H LEU A 73 38.149 22.511 25.325 1.00 0.00 H new ATOM 0 HA LEU A 73 39.593 20.242 26.145 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.553 20.662 28.528 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.650 21.674 27.610 1.00 0.00 H new ATOM 0 HG LEU A 73 38.676 23.385 27.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 37.606 23.373 30.004 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.084 22.003 28.996 1.00 0.00 H new ATOM 0 HD13 LEU A 73 38.269 21.748 30.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.824 24.241 29.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.568 22.638 30.088 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.005 23.648 28.689 1.00 0.00 H new ATOM 1193 N ARG A 74 37.567 19.138 27.385 1.00 0.00 N ATOM 1194 CA ARG A 74 36.374 18.348 27.610 1.00 0.00 C ATOM 1195 C ARG A 74 35.867 18.305 29.050 1.00 0.00 C ATOM 1196 O ARG A 74 35.791 17.288 29.729 1.00 0.00 O ATOM 1197 CB ARG A 74 36.609 16.983 26.964 1.00 0.00 C ATOM 1198 CG ARG A 74 35.378 16.114 26.757 1.00 0.00 C ATOM 1199 CD ARG A 74 35.728 14.780 26.097 1.00 0.00 C ATOM 1200 NE ARG A 74 34.514 14.187 25.539 1.00 0.00 N ATOM 1201 CZ ARG A 74 34.261 13.457 24.439 1.00 0.00 C ATOM 1202 NH1 ARG A 74 35.103 13.513 23.395 1.00 0.00 N ATOM 1203 NH2 ARG A 74 33.153 12.711 24.379 1.00 0.00 N ATOM 0 H ARG A 74 38.404 18.702 27.772 1.00 0.00 H new ATOM 0 HA ARG A 74 35.528 18.841 27.132 1.00 0.00 H new ATOM 0 HB2 ARG A 74 37.084 17.140 25.995 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.318 16.430 27.580 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.898 15.929 27.718 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.657 16.647 26.138 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.467 14.932 25.311 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.174 14.105 26.827 1.00 0.00 H new ATOM 0 HE ARG A 74 33.683 14.365 26.104 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.931 14.108 23.439 1.00 0.00 H new ATOM 0 HH12 ARG A 74 34.915 12.961 22.558 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.504 12.698 25.166 1.00 0.00 H new ATOM 0 HH22 ARG A 74 32.957 12.155 23.546 1.00 0.00 H new ATOM 1217 N GLY A 75 35.466 19.503 29.493 1.00 0.00 N ATOM 1218 CA GLY A 75 34.909 19.834 30.793 1.00 0.00 C ATOM 1219 C GLY A 75 33.620 20.620 30.566 1.00 0.00 C ATOM 1220 O GLY A 75 33.579 21.544 29.762 1.00 0.00 O ATOM 0 H GLY A 75 35.532 20.327 28.896 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.707 18.927 31.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 35.619 20.424 31.373 1.00 0.00 H new ATOM 1224 N GLY A 76 32.514 20.198 31.186 1.00 0.00 N ATOM 1225 CA GLY A 76 31.362 21.050 31.437 1.00 0.00 C ATOM 1226 C GLY A 76 31.308 21.045 32.957 1.00 0.00 C ATOM 1227 O GLY A 76 31.888 20.190 33.648 1.00 0.00 O ATOM 1228 OXT GLY A 76 30.728 22.030 33.476 1.00 0.00 O ATOM 0 H GLY A 76 32.398 19.244 31.529 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.498 22.054 31.035 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.451 20.650 30.993 1.00 0.00 H new TER 1232 GLY A 76