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 25 ASN : amide:sc= -0.223 X(o=1.1,f=1) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -162:sc= 1.3 (180deg=0.0372) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 178:sc= 0.744 (180deg=-0.11) USER MOD Set 2.2: A 12 THR OG1 : rot 131:sc= 0.682 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-0.131) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.24 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.107 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.489 (180deg=0.473) USER MOD Single : A 40 GLN : amide:sc= -2.1 K(o=-2.1,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.785 K(o=0.78,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.42 K(o=1.4,f=-5.9!) USER MOD Single : A 55 THR OG1 : rot -45:sc= 0.608 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.927 USER MOD Single : A 60 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.99) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 95:sc= 0.0444 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.195 31.060 16.223 1.00 0.00 N ATOM 2 CA MET A 1 14.042 30.925 17.679 1.00 0.00 C ATOM 3 C MET A 1 15.329 31.447 18.304 1.00 0.00 C ATOM 4 O MET A 1 16.377 30.878 17.983 1.00 0.00 O ATOM 5 CB MET A 1 13.886 29.433 17.941 1.00 0.00 C ATOM 6 CG MET A 1 12.434 28.982 18.116 1.00 0.00 C ATOM 7 SD MET A 1 12.257 27.442 19.039 1.00 0.00 S ATOM 8 CE MET A 1 10.541 27.101 18.585 1.00 0.00 C ATOM 0 H1 MET A 1 13.357 30.668 15.748 1.00 0.00 H new ATOM 0 H2 MET A 1 14.294 32.065 15.976 1.00 0.00 H new ATOM 0 H3 MET A 1 15.042 30.543 15.914 1.00 0.00 H new ATOM 0 HA MET A 1 13.193 31.472 18.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.330 28.880 17.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.448 29.171 18.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.878 29.768 18.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.980 28.860 17.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.963 26.885 19.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.118 27.971 18.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.506 26.242 17.915 1.00 0.00 H new ATOM 20 N GLN A 2 15.219 32.382 19.249 1.00 0.00 N ATOM 21 CA GLN A 2 16.376 33.025 19.838 1.00 0.00 C ATOM 22 C GLN A 2 16.833 32.192 21.037 1.00 0.00 C ATOM 23 O GLN A 2 16.110 31.481 21.736 1.00 0.00 O ATOM 24 CB GLN A 2 15.857 34.328 20.438 1.00 0.00 C ATOM 25 CG GLN A 2 17.033 35.302 20.578 1.00 0.00 C ATOM 26 CD GLN A 2 16.554 36.537 21.334 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.352 37.635 20.816 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.320 36.434 22.631 1.00 0.00 N ATOM 0 H GLN A 2 14.327 32.708 19.620 1.00 0.00 H new ATOM 0 HA GLN A 2 17.174 33.152 19.106 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.084 34.757 19.801 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.401 34.142 21.411 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.856 34.827 21.112 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.411 35.583 19.595 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.472 35.545 23.108 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.988 37.243 23.155 1.00 0.00 H new ATOM 37 N ILE A 3 18.162 32.196 21.149 1.00 0.00 N ATOM 38 CA ILE A 3 18.906 31.492 22.164 1.00 0.00 C ATOM 39 C ILE A 3 20.097 32.358 22.596 1.00 0.00 C ATOM 40 O ILE A 3 20.709 33.052 21.796 1.00 0.00 O ATOM 41 CB ILE A 3 19.260 30.068 21.719 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.073 30.005 20.422 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.106 29.069 21.701 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.233 29.005 20.452 1.00 0.00 C ATOM 0 H ILE A 3 18.761 32.713 20.505 1.00 0.00 H new ATOM 0 HA ILE A 3 18.294 31.338 23.053 1.00 0.00 H new ATOM 0 HB ILE A 3 19.910 29.736 22.529 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.405 29.744 19.601 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.470 30.997 20.207 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.472 28.097 21.371 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.688 28.978 22.703 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.334 29.418 21.016 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.755 29.024 19.495 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.926 29.275 21.249 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.845 28.003 20.633 1.00 0.00 H new ATOM 56 N PHE A 4 20.538 32.258 23.848 1.00 0.00 N ATOM 57 CA PHE A 4 21.773 32.788 24.404 1.00 0.00 C ATOM 58 C PHE A 4 22.964 31.839 24.286 1.00 0.00 C ATOM 59 O PHE A 4 22.865 30.621 24.272 1.00 0.00 O ATOM 60 CB PHE A 4 21.534 33.176 25.860 1.00 0.00 C ATOM 61 CG PHE A 4 20.277 33.981 26.079 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.177 35.261 25.514 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.147 33.392 26.650 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.969 35.960 25.650 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.934 34.079 26.798 1.00 0.00 C ATOM 66 CZ PHE A 4 17.872 35.402 26.328 1.00 0.00 C ATOM 0 H PHE A 4 19.993 31.763 24.554 1.00 0.00 H new ATOM 0 HA PHE A 4 22.043 33.663 23.812 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.483 32.270 26.464 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.389 33.750 26.218 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.012 35.698 24.986 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.210 32.369 26.990 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.880 36.949 25.224 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.077 33.608 27.257 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.981 35.990 26.488 1.00 0.00 H new ATOM 76 N VAL A 5 24.158 32.374 24.058 1.00 0.00 N ATOM 77 CA VAL A 5 25.353 31.586 23.802 1.00 0.00 C ATOM 78 C VAL A 5 26.427 32.244 24.668 1.00 0.00 C ATOM 79 O VAL A 5 26.934 33.311 24.318 1.00 0.00 O ATOM 80 CB VAL A 5 25.688 31.495 22.318 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.055 30.854 22.064 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.602 30.745 21.543 1.00 0.00 C ATOM 0 H VAL A 5 24.323 33.380 24.046 1.00 0.00 H new ATOM 0 HA VAL A 5 25.237 30.535 24.068 1.00 0.00 H new ATOM 0 HB VAL A 5 25.732 32.521 21.954 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.244 30.813 20.991 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.831 31.448 22.547 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.065 29.843 22.473 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.874 30.699 20.488 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.506 29.733 21.938 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.652 31.268 21.650 1.00 0.00 H new ATOM 92 N LYS A 6 26.688 31.657 25.832 1.00 0.00 N ATOM 93 CA LYS A 6 27.845 31.999 26.646 1.00 0.00 C ATOM 94 C LYS A 6 29.045 31.317 25.974 1.00 0.00 C ATOM 95 O LYS A 6 29.246 30.127 26.179 1.00 0.00 O ATOM 96 CB LYS A 6 27.625 31.563 28.088 1.00 0.00 C ATOM 97 CG LYS A 6 26.586 32.482 28.744 1.00 0.00 C ATOM 98 CD LYS A 6 26.313 32.178 30.216 1.00 0.00 C ATOM 99 CE LYS A 6 25.545 33.286 30.944 1.00 0.00 C ATOM 100 NZ LYS A 6 24.684 34.100 30.087 1.00 0.00 N ATOM 0 H LYS A 6 26.100 30.929 26.237 1.00 0.00 H new ATOM 0 HA LYS A 6 28.021 33.073 26.701 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.283 30.528 28.119 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.564 31.605 28.640 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.925 33.514 28.656 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.650 32.405 28.190 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.747 31.249 30.287 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.262 32.012 30.725 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.933 32.833 31.724 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.262 33.940 31.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.179 34.800 30.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.265 34.592 29.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.995 33.488 29.606 1.00 0.00 H new ATOM 114 N THR A 7 29.772 32.119 25.215 1.00 0.00 N ATOM 115 CA THR A 7 31.084 31.697 24.760 1.00 0.00 C ATOM 116 C THR A 7 32.154 31.670 25.851 1.00 0.00 C ATOM 117 O THR A 7 31.936 32.030 27.006 1.00 0.00 O ATOM 118 CB THR A 7 31.514 32.629 23.623 1.00 0.00 C ATOM 119 OG1 THR A 7 31.439 33.943 24.122 1.00 0.00 O ATOM 120 CG2 THR A 7 30.790 32.419 22.293 1.00 0.00 C ATOM 0 H THR A 7 29.484 33.047 24.906 1.00 0.00 H new ATOM 0 HA THR A 7 30.994 30.663 24.426 1.00 0.00 H new ATOM 0 HB THR A 7 32.538 32.391 23.335 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.709 34.574 23.423 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.168 33.128 21.557 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.964 31.402 21.940 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.720 32.576 22.432 1.00 0.00 H new ATOM 128 N LEU A 8 33.340 31.161 25.534 1.00 0.00 N ATOM 129 CA LEU A 8 34.450 30.799 26.397 1.00 0.00 C ATOM 130 C LEU A 8 34.797 31.713 27.576 1.00 0.00 C ATOM 131 O LEU A 8 35.022 31.249 28.699 1.00 0.00 O ATOM 132 CB LEU A 8 35.716 30.553 25.573 1.00 0.00 C ATOM 133 CG LEU A 8 35.937 29.041 25.398 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.873 28.723 24.231 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.435 28.389 26.685 1.00 0.00 C ATOM 0 H LEU A 8 33.568 30.973 24.558 1.00 0.00 H new ATOM 0 HA LEU A 8 34.069 29.897 26.875 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.625 31.032 24.598 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.577 31.001 26.069 1.00 0.00 H new ATOM 0 HG LEU A 8 34.963 28.614 25.160 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.998 27.643 24.148 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.446 29.111 23.306 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.843 29.188 24.406 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.579 27.321 26.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.382 28.841 26.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.700 28.538 27.476 1.00 0.00 H new ATOM 147 N THR A 9 34.746 33.020 27.368 1.00 0.00 N ATOM 148 CA THR A 9 34.887 33.950 28.468 1.00 0.00 C ATOM 149 C THR A 9 33.659 34.224 29.337 1.00 0.00 C ATOM 150 O THR A 9 33.796 34.952 30.328 1.00 0.00 O ATOM 151 CB THR A 9 35.305 35.220 27.729 1.00 0.00 C ATOM 152 OG1 THR A 9 34.413 35.615 26.708 1.00 0.00 O ATOM 153 CG2 THR A 9 36.749 35.172 27.235 1.00 0.00 C ATOM 0 H THR A 9 34.609 33.454 26.455 1.00 0.00 H new ATOM 0 HA THR A 9 35.576 33.546 29.210 1.00 0.00 H new ATOM 0 HB THR A 9 35.251 36.003 28.485 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.744 36.433 26.283 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.988 36.101 26.718 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.420 35.046 28.085 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.871 34.334 26.549 1.00 0.00 H new ATOM 161 N GLY A 10 32.507 33.684 28.937 1.00 0.00 N ATOM 162 CA GLY A 10 31.231 34.013 29.531 1.00 0.00 C ATOM 163 C GLY A 10 30.451 35.077 28.763 1.00 0.00 C ATOM 164 O GLY A 10 29.489 35.688 29.225 1.00 0.00 O ATOM 0 H GLY A 10 32.444 33.000 28.183 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.627 33.108 29.596 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.394 34.361 30.551 1.00 0.00 H new ATOM 168 N LYS A 11 31.085 35.499 27.677 1.00 0.00 N ATOM 169 CA LYS A 11 30.648 36.592 26.823 1.00 0.00 C ATOM 170 C LYS A 11 29.377 36.142 26.089 1.00 0.00 C ATOM 171 O LYS A 11 29.338 35.132 25.394 1.00 0.00 O ATOM 172 CB LYS A 11 31.715 37.128 25.878 1.00 0.00 C ATOM 173 CG LYS A 11 31.202 38.278 25.002 1.00 0.00 C ATOM 174 CD LYS A 11 32.244 39.240 24.426 1.00 0.00 C ATOM 175 CE LYS A 11 31.657 40.317 23.513 1.00 0.00 C ATOM 176 NZ LYS A 11 32.793 41.083 22.982 1.00 0.00 N ATOM 0 H LYS A 11 31.953 35.071 27.355 1.00 0.00 H new ATOM 0 HA LYS A 11 30.433 37.452 27.458 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.570 37.472 26.459 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.069 36.319 25.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.645 37.846 24.170 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.494 38.861 25.591 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.772 39.723 25.248 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.983 38.667 23.866 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.081 39.867 22.704 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.977 40.965 24.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.442 41.832 22.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.321 41.512 23.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.421 40.448 22.449 1.00 0.00 H new ATOM 190 N THR A 12 28.313 36.753 26.598 1.00 0.00 N ATOM 191 CA THR A 12 26.935 36.556 26.186 1.00 0.00 C ATOM 192 C THR A 12 26.609 37.324 24.906 1.00 0.00 C ATOM 193 O THR A 12 26.577 38.551 24.816 1.00 0.00 O ATOM 194 CB THR A 12 25.968 36.893 27.323 1.00 0.00 C ATOM 195 OG1 THR A 12 26.106 35.813 28.216 1.00 0.00 O ATOM 196 CG2 THR A 12 24.477 36.984 27.009 1.00 0.00 C ATOM 0 H THR A 12 28.398 37.436 27.351 1.00 0.00 H new ATOM 0 HA THR A 12 26.807 35.499 25.953 1.00 0.00 H new ATOM 0 HB THR A 12 26.234 37.894 27.662 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.240 36.155 29.125 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.928 37.230 27.918 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.309 37.760 26.262 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.128 36.027 26.622 1.00 0.00 H new ATOM 204 N ILE A 13 26.398 36.423 23.958 1.00 0.00 N ATOM 205 CA ILE A 13 25.927 36.642 22.605 1.00 0.00 C ATOM 206 C ILE A 13 24.514 36.073 22.458 1.00 0.00 C ATOM 207 O ILE A 13 24.099 35.093 23.075 1.00 0.00 O ATOM 208 CB ILE A 13 26.856 35.862 21.670 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.068 36.762 21.402 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.179 35.407 20.383 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.227 36.060 20.675 1.00 0.00 C ATOM 0 H ILE A 13 26.568 35.433 24.136 1.00 0.00 H new ATOM 0 HA ILE A 13 25.919 37.707 22.371 1.00 0.00 H new ATOM 0 HB ILE A 13 27.160 34.931 22.148 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.747 37.618 20.808 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.433 37.153 22.352 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.895 34.861 19.769 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.338 34.757 20.624 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.819 36.277 19.834 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.043 36.766 20.525 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.579 35.221 21.276 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.882 35.694 19.708 1.00 0.00 H new ATOM 223 N THR A 14 23.715 36.881 21.779 1.00 0.00 N ATOM 224 CA THR A 14 22.318 36.562 21.503 1.00 0.00 C ATOM 225 C THR A 14 22.363 36.062 20.052 1.00 0.00 C ATOM 226 O THR A 14 22.917 36.754 19.205 1.00 0.00 O ATOM 227 CB THR A 14 21.362 37.736 21.662 1.00 0.00 C ATOM 228 OG1 THR A 14 21.536 38.402 22.899 1.00 0.00 O ATOM 229 CG2 THR A 14 19.877 37.372 21.608 1.00 0.00 C ATOM 0 H THR A 14 24.015 37.780 21.402 1.00 0.00 H new ATOM 0 HA THR A 14 21.926 35.836 22.215 1.00 0.00 H new ATOM 0 HB THR A 14 21.618 38.363 20.808 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.905 39.149 22.960 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.277 38.274 21.730 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.650 36.913 20.646 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.645 36.670 22.409 1.00 0.00 H new ATOM 237 N LEU A 15 21.852 34.859 19.812 1.00 0.00 N ATOM 238 CA LEU A 15 21.887 34.087 18.582 1.00 0.00 C ATOM 239 C LEU A 15 20.501 33.513 18.272 1.00 0.00 C ATOM 240 O LEU A 15 19.660 33.383 19.159 1.00 0.00 O ATOM 241 CB LEU A 15 22.944 32.998 18.760 1.00 0.00 C ATOM 242 CG LEU A 15 23.702 32.558 17.517 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.895 33.497 17.297 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.086 31.070 17.450 1.00 0.00 C ATOM 0 H LEU A 15 21.356 34.355 20.547 1.00 0.00 H new ATOM 0 HA LEU A 15 22.153 34.711 17.729 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.671 33.349 19.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.458 32.121 19.188 1.00 0.00 H new ATOM 0 HG LEU A 15 23.004 32.645 16.685 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.443 33.187 16.407 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.535 34.517 17.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.556 33.455 18.163 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.621 30.874 16.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.725 30.821 18.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.184 30.459 17.485 1.00 0.00 H new ATOM 256 N GLU A 16 20.331 33.165 17.001 1.00 0.00 N ATOM 257 CA GLU A 16 19.101 32.511 16.588 1.00 0.00 C ATOM 258 C GLU A 16 19.290 31.212 15.798 1.00 0.00 C ATOM 259 O GLU A 16 20.279 31.121 15.077 1.00 0.00 O ATOM 260 CB GLU A 16 18.082 33.432 15.912 1.00 0.00 C ATOM 261 CG GLU A 16 18.628 34.198 14.715 1.00 0.00 C ATOM 262 CD GLU A 16 17.477 35.006 14.130 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.376 34.484 13.866 1.00 0.00 O ATOM 264 OE2 GLU A 16 17.598 36.242 14.009 1.00 0.00 O ATOM 0 H GLU A 16 21.012 33.321 16.258 1.00 0.00 H new ATOM 0 HA GLU A 16 18.668 32.221 17.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.229 32.835 15.589 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.711 34.146 16.647 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.443 34.855 15.019 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.032 33.511 13.971 1.00 0.00 H new ATOM 271 N VAL A 17 18.271 30.363 15.846 1.00 0.00 N ATOM 272 CA VAL A 17 18.268 29.035 15.263 1.00 0.00 C ATOM 273 C VAL A 17 16.865 28.776 14.709 1.00 0.00 C ATOM 274 O VAL A 17 15.900 29.298 15.261 1.00 0.00 O ATOM 275 CB VAL A 17 18.785 27.957 16.212 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.263 28.183 16.553 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.834 27.835 17.407 1.00 0.00 C ATOM 0 H VAL A 17 17.393 30.593 16.311 1.00 0.00 H new ATOM 0 HA VAL A 17 18.983 28.985 14.442 1.00 0.00 H new ATOM 0 HB VAL A 17 18.780 26.979 15.731 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.604 27.400 17.230 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.856 28.155 15.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.381 29.155 17.033 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.201 27.066 18.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.785 28.789 17.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.839 27.563 17.054 1.00 0.00 H new ATOM 287 N GLU A 18 16.834 27.943 13.672 1.00 0.00 N ATOM 288 CA GLU A 18 15.562 27.499 13.149 1.00 0.00 C ATOM 289 C GLU A 18 15.453 26.108 13.789 1.00 0.00 C ATOM 290 O GLU A 18 16.490 25.456 13.801 1.00 0.00 O ATOM 291 CB GLU A 18 15.744 27.352 11.640 1.00 0.00 C ATOM 292 CG GLU A 18 14.441 27.080 10.889 1.00 0.00 C ATOM 293 CD GLU A 18 13.468 28.243 10.738 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.038 28.886 11.726 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.153 28.588 9.583 1.00 0.00 O ATOM 0 H GLU A 18 17.656 27.574 13.193 1.00 0.00 H new ATOM 0 HA GLU A 18 14.703 28.142 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.197 28.262 11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.443 26.539 11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.695 26.720 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.921 26.268 11.398 1.00 0.00 H new ATOM 302 N PRO A 19 14.265 25.759 14.299 1.00 0.00 N ATOM 303 CA PRO A 19 13.873 24.482 14.845 1.00 0.00 C ATOM 304 C PRO A 19 14.448 23.199 14.239 1.00 0.00 C ATOM 305 O PRO A 19 14.705 22.256 14.989 1.00 0.00 O ATOM 306 CB PRO A 19 12.356 24.449 14.677 1.00 0.00 C ATOM 307 CG PRO A 19 11.943 25.901 14.952 1.00 0.00 C ATOM 308 CD PRO A 19 13.120 26.640 14.310 1.00 0.00 C ATOM 0 HA PRO A 19 14.271 24.453 15.860 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.068 24.131 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.888 23.757 15.377 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.989 26.157 14.491 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.849 26.113 16.017 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.867 26.945 13.294 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.347 27.548 14.868 1.00 0.00 H new ATOM 316 N SER A 20 14.501 23.203 12.915 1.00 0.00 N ATOM 317 CA SER A 20 15.021 22.088 12.143 1.00 0.00 C ATOM 318 C SER A 20 16.547 21.986 12.053 1.00 0.00 C ATOM 319 O SER A 20 16.956 20.905 11.648 1.00 0.00 O ATOM 320 CB SER A 20 14.463 22.357 10.740 1.00 0.00 C ATOM 321 OG SER A 20 14.485 23.721 10.401 1.00 0.00 O ATOM 0 H SER A 20 14.182 23.986 12.344 1.00 0.00 H new ATOM 0 HA SER A 20 14.728 21.151 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.044 21.795 10.008 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.438 21.989 10.684 1.00 0.00 H new ATOM 0 HG SER A 20 14.121 23.840 9.499 1.00 0.00 H new ATOM 327 N ASP A 21 17.304 23.011 12.427 1.00 0.00 N ATOM 328 CA ASP A 21 18.756 23.079 12.394 1.00 0.00 C ATOM 329 C ASP A 21 19.410 21.841 13.007 1.00 0.00 C ATOM 330 O ASP A 21 19.218 21.585 14.197 1.00 0.00 O ATOM 331 CB ASP A 21 19.350 24.381 12.950 1.00 0.00 C ATOM 332 CG ASP A 21 19.072 25.703 12.242 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.774 25.676 11.025 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.279 26.804 12.805 1.00 0.00 O ATOM 0 H ASP A 21 16.890 23.872 12.784 1.00 0.00 H new ATOM 0 HA ASP A 21 19.004 23.091 11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.003 24.484 13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.432 24.254 12.989 1.00 0.00 H new ATOM 339 N THR A 22 20.286 21.224 12.209 1.00 0.00 N ATOM 340 CA THR A 22 21.298 20.263 12.578 1.00 0.00 C ATOM 341 C THR A 22 22.425 20.904 13.392 1.00 0.00 C ATOM 342 O THR A 22 22.609 22.109 13.260 1.00 0.00 O ATOM 343 CB THR A 22 21.873 19.556 11.346 1.00 0.00 C ATOM 344 OG1 THR A 22 22.508 20.384 10.398 1.00 0.00 O ATOM 345 CG2 THR A 22 20.829 18.777 10.561 1.00 0.00 C ATOM 0 H THR A 22 20.296 21.408 11.206 1.00 0.00 H new ATOM 0 HA THR A 22 20.809 19.520 13.208 1.00 0.00 H new ATOM 0 HB THR A 22 22.614 18.906 11.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.839 19.837 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.301 18.300 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.387 18.014 11.202 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.050 19.457 10.216 1.00 0.00 H new ATOM 353 N ILE A 23 23.160 20.251 14.290 1.00 0.00 N ATOM 354 CA ILE A 23 24.156 20.860 15.156 1.00 0.00 C ATOM 355 C ILE A 23 25.385 21.512 14.531 1.00 0.00 C ATOM 356 O ILE A 23 25.734 22.583 15.027 1.00 0.00 O ATOM 357 CB ILE A 23 24.570 19.874 16.253 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.483 19.298 17.173 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.540 20.476 17.263 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.580 20.388 17.761 1.00 0.00 C ATOM 0 H ILE A 23 23.071 19.245 14.436 1.00 0.00 H new ATOM 0 HA ILE A 23 23.623 21.725 15.550 1.00 0.00 H new ATOM 0 HB ILE A 23 24.973 19.092 15.610 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.874 18.589 16.612 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.954 18.743 17.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.795 19.728 18.014 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.446 20.798 16.750 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.074 21.333 17.749 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.828 19.930 18.404 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.182 21.083 18.345 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.086 20.927 16.952 1.00 0.00 H new ATOM 372 N GLU A 24 25.930 21.048 13.406 1.00 0.00 N ATOM 373 CA GLU A 24 26.774 21.772 12.485 1.00 0.00 C ATOM 374 C GLU A 24 26.142 23.069 11.975 1.00 0.00 C ATOM 375 O GLU A 24 26.870 23.992 11.626 1.00 0.00 O ATOM 376 CB GLU A 24 27.205 20.791 11.403 1.00 0.00 C ATOM 377 CG GLU A 24 28.360 21.312 10.545 1.00 0.00 C ATOM 378 CD GLU A 24 29.020 20.211 9.722 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.336 19.344 9.145 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.239 20.308 9.500 1.00 0.00 O ATOM 0 H GLU A 24 25.775 20.086 13.103 1.00 0.00 H new ATOM 0 HA GLU A 24 27.665 22.144 12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.502 19.852 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.353 20.571 10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.990 22.089 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.106 21.776 11.190 1.00 0.00 H new ATOM 387 N ASN A 25 24.815 23.105 11.817 1.00 0.00 N ATOM 388 CA ASN A 25 24.131 24.278 11.313 1.00 0.00 C ATOM 389 C ASN A 25 24.007 25.258 12.486 1.00 0.00 C ATOM 390 O ASN A 25 23.804 26.458 12.290 1.00 0.00 O ATOM 391 CB ASN A 25 22.736 23.938 10.777 1.00 0.00 C ATOM 392 CG ASN A 25 22.442 24.864 9.618 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.075 24.874 8.567 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.480 25.784 9.684 1.00 0.00 N ATOM 0 H ASN A 25 24.198 22.323 12.036 1.00 0.00 H new ATOM 0 HA ASN A 25 24.695 24.705 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.695 22.898 10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 25 21.987 24.058 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.325 26.417 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.898 25.855 10.519 1.00 0.00 H new ATOM 401 N VAL A 26 24.199 24.834 13.728 1.00 0.00 N ATOM 402 CA VAL A 26 24.335 25.653 14.911 1.00 0.00 C ATOM 403 C VAL A 26 25.781 26.146 15.024 1.00 0.00 C ATOM 404 O VAL A 26 25.993 27.354 15.062 1.00 0.00 O ATOM 405 CB VAL A 26 23.771 24.915 16.127 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.693 25.810 17.356 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.379 24.291 16.004 1.00 0.00 C ATOM 0 H VAL A 26 24.268 23.839 13.943 1.00 0.00 H new ATOM 0 HA VAL A 26 23.734 26.560 14.849 1.00 0.00 H new ATOM 0 HB VAL A 26 24.495 24.105 16.210 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.287 25.243 18.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.691 26.168 17.610 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.045 26.661 17.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.114 23.804 16.942 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.650 25.070 15.781 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.380 23.554 15.201 1.00 0.00 H new ATOM 417 N LYS A 27 26.726 25.226 14.889 1.00 0.00 N ATOM 418 CA LYS A 27 28.148 25.542 14.892 1.00 0.00 C ATOM 419 C LYS A 27 28.564 26.491 13.774 1.00 0.00 C ATOM 420 O LYS A 27 29.537 27.223 13.923 1.00 0.00 O ATOM 421 CB LYS A 27 29.027 24.282 14.929 1.00 0.00 C ATOM 422 CG LYS A 27 28.927 23.527 16.256 1.00 0.00 C ATOM 423 CD LYS A 27 29.745 22.250 16.470 1.00 0.00 C ATOM 424 CE LYS A 27 29.467 21.062 15.548 1.00 0.00 C ATOM 425 NZ LYS A 27 30.339 19.958 15.951 1.00 0.00 N ATOM 0 H LYS A 27 26.526 24.232 14.774 1.00 0.00 H new ATOM 0 HA LYS A 27 28.320 26.084 15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.736 23.618 14.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.065 24.564 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.200 24.224 17.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.878 23.270 16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.800 22.508 16.375 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.589 21.920 17.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.421 20.764 15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.654 21.335 14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.179 19.143 15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.333 20.257 15.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.126 19.688 16.933 1.00 0.00 H new ATOM 439 N ALA A 28 27.895 26.540 12.624 1.00 0.00 N ATOM 440 CA ALA A 28 28.283 27.509 11.617 1.00 0.00 C ATOM 441 C ALA A 28 27.805 28.943 11.817 1.00 0.00 C ATOM 442 O ALA A 28 28.464 29.902 11.439 1.00 0.00 O ATOM 443 CB ALA A 28 27.666 27.050 10.286 1.00 0.00 C ATOM 0 H ALA A 28 27.108 25.940 12.376 1.00 0.00 H new ATOM 0 HA ALA A 28 29.372 27.538 11.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.935 27.754 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.044 26.060 10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.581 27.010 10.383 1.00 0.00 H new ATOM 449 N LYS A 29 26.718 29.055 12.583 1.00 0.00 N ATOM 450 CA LYS A 29 26.162 30.338 12.966 1.00 0.00 C ATOM 451 C LYS A 29 26.983 30.950 14.106 1.00 0.00 C ATOM 452 O LYS A 29 27.376 32.101 13.966 1.00 0.00 O ATOM 453 CB LYS A 29 24.720 30.228 13.467 1.00 0.00 C ATOM 454 CG LYS A 29 23.708 30.048 12.334 1.00 0.00 C ATOM 455 CD LYS A 29 22.273 30.018 12.866 1.00 0.00 C ATOM 456 CE LYS A 29 21.246 29.626 11.797 1.00 0.00 C ATOM 457 NZ LYS A 29 21.182 28.156 11.687 1.00 0.00 N ATOM 0 H LYS A 29 26.204 28.254 12.951 1.00 0.00 H new ATOM 0 HA LYS A 29 26.187 30.957 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.643 29.385 14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.468 31.125 14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.815 30.861 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 29 23.919 29.122 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.213 29.313 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.018 31.000 13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.265 30.024 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.522 30.061 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.736 27.894 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.144 27.763 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.621 27.773 12.474 1.00 0.00 H new ATOM 471 N ILE A 30 27.242 30.103 15.097 1.00 0.00 N ATOM 472 CA ILE A 30 28.163 30.321 16.191 1.00 0.00 C ATOM 473 C ILE A 30 29.518 30.759 15.651 1.00 0.00 C ATOM 474 O ILE A 30 30.151 31.583 16.307 1.00 0.00 O ATOM 475 CB ILE A 30 28.252 29.216 17.242 1.00 0.00 C ATOM 476 CG1 ILE A 30 26.895 28.823 17.818 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.081 29.614 18.464 1.00 0.00 C ATOM 478 CD1 ILE A 30 26.785 27.444 18.487 1.00 0.00 C ATOM 0 H ILE A 30 26.784 29.194 15.155 1.00 0.00 H new ATOM 0 HA ILE A 30 27.732 31.133 16.776 1.00 0.00 H new ATOM 0 HB ILE A 30 28.710 28.396 16.690 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.609 29.577 18.551 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.162 28.867 17.013 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.105 28.786 19.173 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.097 29.854 18.152 1.00 0.00 H new ATOM 0 HG23 ILE A 30 28.632 30.486 18.940 1.00 0.00 H new ATOM 0 HD11 ILE A 30 25.768 27.296 18.851 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.027 26.667 17.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.481 27.389 19.324 1.00 0.00 H new ATOM 490 N GLN A 31 30.044 30.205 14.557 1.00 0.00 N ATOM 491 CA GLN A 31 31.310 30.541 13.943 1.00 0.00 C ATOM 492 C GLN A 31 31.426 32.006 13.516 1.00 0.00 C ATOM 493 O GLN A 31 32.242 32.758 14.056 1.00 0.00 O ATOM 494 CB GLN A 31 31.665 29.533 12.858 1.00 0.00 C ATOM 495 CG GLN A 31 33.052 29.777 12.276 1.00 0.00 C ATOM 496 CD GLN A 31 33.239 29.164 10.899 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.178 29.524 10.183 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.446 28.212 10.419 1.00 0.00 N ATOM 0 H GLN A 31 29.559 29.464 14.052 1.00 0.00 H new ATOM 0 HA GLN A 31 32.078 30.455 14.712 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.619 28.526 13.271 1.00 0.00 H new ATOM 0 HB3 GLN A 31 30.924 29.585 12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.230 30.851 12.216 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.801 29.367 12.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.656 27.879 10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.627 27.814 9.498 1.00 0.00 H new ATOM 507 N ASP A 32 30.563 32.409 12.592 1.00 0.00 N ATOM 508 CA ASP A 32 30.304 33.641 11.872 1.00 0.00 C ATOM 509 C ASP A 32 30.332 34.933 12.689 1.00 0.00 C ATOM 510 O ASP A 32 30.615 36.027 12.210 1.00 0.00 O ATOM 511 CB ASP A 32 29.012 33.474 11.059 1.00 0.00 C ATOM 512 CG ASP A 32 28.544 34.713 10.301 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.275 35.265 9.458 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.384 35.099 10.569 1.00 0.00 O ATOM 0 H ASP A 32 29.887 31.717 12.269 1.00 0.00 H new ATOM 0 HA ASP A 32 31.156 33.791 11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.157 32.665 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.216 33.162 11.735 1.00 0.00 H new ATOM 519 N LYS A 33 30.099 34.767 13.982 1.00 0.00 N ATOM 520 CA LYS A 33 30.053 35.716 15.083 1.00 0.00 C ATOM 521 C LYS A 33 31.310 35.873 15.930 1.00 0.00 C ATOM 522 O LYS A 33 31.386 36.875 16.634 1.00 0.00 O ATOM 523 CB LYS A 33 28.897 35.371 16.013 1.00 0.00 C ATOM 524 CG LYS A 33 27.554 35.110 15.314 1.00 0.00 C ATOM 525 CD LYS A 33 27.209 35.949 14.087 1.00 0.00 C ATOM 526 CE LYS A 33 25.777 35.576 13.698 1.00 0.00 C ATOM 527 NZ LYS A 33 25.400 36.331 12.493 1.00 0.00 N ATOM 0 H LYS A 33 29.911 33.827 14.331 1.00 0.00 H new ATOM 0 HA LYS A 33 29.932 36.674 14.578 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.167 34.486 16.590 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.767 36.187 16.724 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.530 34.061 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.762 35.252 16.049 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.286 37.013 14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.900 35.744 13.269 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.704 34.505 13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.093 35.804 14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.396 36.163 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.554 37.346 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.983 36.018 11.691 1.00 0.00 H new ATOM 541 N GLU A 34 32.340 35.031 15.861 1.00 0.00 N ATOM 542 CA GLU A 34 33.477 35.265 16.728 1.00 0.00 C ATOM 543 C GLU A 34 34.715 34.543 16.189 1.00 0.00 C ATOM 544 O GLU A 34 35.830 35.012 16.408 1.00 0.00 O ATOM 545 CB GLU A 34 33.168 34.772 18.142 1.00 0.00 C ATOM 546 CG GLU A 34 32.975 35.758 19.289 1.00 0.00 C ATOM 547 CD GLU A 34 34.071 36.810 19.426 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.226 36.361 19.317 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.770 37.934 19.889 1.00 0.00 O ATOM 0 H GLU A 34 32.407 34.221 15.244 1.00 0.00 H new ATOM 0 HA GLU A 34 33.677 36.336 16.757 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.261 34.171 18.080 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.976 34.100 18.430 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.020 36.266 19.155 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.911 35.199 20.222 1.00 0.00 H new ATOM 556 N GLY A 35 34.597 33.573 15.284 1.00 0.00 N ATOM 557 CA GLY A 35 35.831 33.273 14.589 1.00 0.00 C ATOM 558 C GLY A 35 36.398 31.925 15.019 1.00 0.00 C ATOM 559 O GLY A 35 37.504 31.611 14.576 1.00 0.00 O ATOM 0 H GLY A 35 33.763 33.040 15.038 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.653 33.268 13.514 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.562 34.057 14.787 1.00 0.00 H new ATOM 563 N ILE A 36 35.676 31.067 15.743 1.00 0.00 N ATOM 564 CA ILE A 36 36.154 29.853 16.376 1.00 0.00 C ATOM 565 C ILE A 36 35.655 28.660 15.570 1.00 0.00 C ATOM 566 O ILE A 36 34.460 28.595 15.314 1.00 0.00 O ATOM 567 CB ILE A 36 35.651 29.677 17.809 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.160 30.807 18.713 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.882 28.339 18.523 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.567 30.788 20.115 1.00 0.00 C ATOM 0 H ILE A 36 34.681 31.218 15.908 1.00 0.00 H new ATOM 0 HA ILE A 36 37.241 29.920 16.407 1.00 0.00 H new ATOM 0 HB ILE A 36 34.573 29.704 17.653 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.245 30.739 18.787 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.932 31.765 18.245 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.463 28.386 19.528 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.395 27.540 17.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.952 28.139 18.584 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.975 31.617 20.694 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.483 30.887 20.053 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.818 29.846 20.603 1.00 0.00 H new ATOM 582 N PRO A 37 36.492 27.719 15.142 1.00 0.00 N ATOM 583 CA PRO A 37 36.048 26.675 14.235 1.00 0.00 C ATOM 584 C PRO A 37 35.067 25.721 14.907 1.00 0.00 C ATOM 585 O PRO A 37 35.355 25.421 16.069 1.00 0.00 O ATOM 586 CB PRO A 37 37.341 25.983 13.821 1.00 0.00 C ATOM 587 CG PRO A 37 38.359 26.289 14.910 1.00 0.00 C ATOM 588 CD PRO A 37 37.898 27.632 15.491 1.00 0.00 C ATOM 0 HA PRO A 37 35.497 27.065 13.379 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.191 24.908 13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.685 26.349 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.373 25.510 15.672 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.368 26.356 14.504 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.041 27.667 16.571 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.464 28.462 15.068 1.00 0.00 H new ATOM 596 N PRO A 38 34.113 25.180 14.162 1.00 0.00 N ATOM 597 CA PRO A 38 33.301 24.078 14.636 1.00 0.00 C ATOM 598 C PRO A 38 34.021 22.925 15.347 1.00 0.00 C ATOM 599 O PRO A 38 33.452 22.364 16.282 1.00 0.00 O ATOM 600 CB PRO A 38 32.437 23.587 13.476 1.00 0.00 C ATOM 601 CG PRO A 38 32.319 24.872 12.651 1.00 0.00 C ATOM 602 CD PRO A 38 33.584 25.686 12.913 1.00 0.00 C ATOM 0 HA PRO A 38 32.697 24.484 15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.911 22.779 12.919 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.467 23.218 13.809 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.221 24.642 11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.431 25.435 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.304 25.565 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.359 26.750 12.984 1.00 0.00 H new ATOM 610 N ASP A 39 35.203 22.541 14.887 1.00 0.00 N ATOM 611 CA ASP A 39 36.128 21.513 15.329 1.00 0.00 C ATOM 612 C ASP A 39 36.564 21.673 16.785 1.00 0.00 C ATOM 613 O ASP A 39 36.986 20.703 17.395 1.00 0.00 O ATOM 614 CB ASP A 39 37.334 21.439 14.400 1.00 0.00 C ATOM 615 CG ASP A 39 37.349 20.344 13.338 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.293 19.138 13.673 1.00 0.00 O ATOM 617 OD2 ASP A 39 37.220 20.764 12.162 1.00 0.00 O ATOM 0 H ASP A 39 35.589 23.018 14.072 1.00 0.00 H new ATOM 0 HA ASP A 39 35.585 20.569 15.281 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.425 22.399 13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.225 21.319 15.017 1.00 0.00 H new ATOM 622 N GLN A 40 36.487 22.921 17.260 1.00 0.00 N ATOM 623 CA GLN A 40 36.901 23.235 18.610 1.00 0.00 C ATOM 624 C GLN A 40 35.677 23.584 19.471 1.00 0.00 C ATOM 625 O GLN A 40 35.736 23.506 20.695 1.00 0.00 O ATOM 626 CB GLN A 40 37.807 24.471 18.569 1.00 0.00 C ATOM 627 CG GLN A 40 39.150 24.150 17.919 1.00 0.00 C ATOM 628 CD GLN A 40 40.088 25.283 17.534 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.125 25.078 16.902 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.742 26.493 17.951 1.00 0.00 N ATOM 0 H GLN A 40 36.142 23.718 16.725 1.00 0.00 H new ATOM 0 HA GLN A 40 37.420 22.374 19.032 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.313 25.269 18.014 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.969 24.840 19.582 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.693 23.494 18.599 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.946 23.574 17.016 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.875 26.624 18.472 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.343 27.293 17.751 1.00 0.00 H new ATOM 639 N GLN A 41 34.604 24.111 18.891 1.00 0.00 N ATOM 640 CA GLN A 41 33.386 24.429 19.602 1.00 0.00 C ATOM 641 C GLN A 41 32.768 23.186 20.241 1.00 0.00 C ATOM 642 O GLN A 41 32.203 22.340 19.543 1.00 0.00 O ATOM 643 CB GLN A 41 32.373 24.963 18.594 1.00 0.00 C ATOM 644 CG GLN A 41 32.797 26.367 18.163 1.00 0.00 C ATOM 645 CD GLN A 41 31.620 26.834 17.314 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.429 26.698 17.579 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.962 27.548 16.237 1.00 0.00 N ATOM 0 H GLN A 41 34.563 24.330 17.896 1.00 0.00 H new ATOM 0 HA GLN A 41 33.626 25.153 20.380 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.319 24.303 17.728 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.378 24.989 19.038 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.961 27.020 19.020 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.725 26.351 17.592 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.946 27.673 15.999 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.239 27.968 15.653 1.00 0.00 H new ATOM 656 N ARG A 42 32.882 23.007 21.553 1.00 0.00 N ATOM 657 CA ARG A 42 32.395 21.935 22.396 1.00 0.00 C ATOM 658 C ARG A 42 31.294 22.622 23.212 1.00 0.00 C ATOM 659 O ARG A 42 31.463 23.761 23.632 1.00 0.00 O ATOM 660 CB ARG A 42 33.544 21.360 23.228 1.00 0.00 C ATOM 661 CG ARG A 42 33.161 20.144 24.080 1.00 0.00 C ATOM 662 CD ARG A 42 34.348 19.285 24.537 1.00 0.00 C ATOM 663 NE ARG A 42 34.296 18.873 25.935 1.00 0.00 N ATOM 664 CZ ARG A 42 33.664 17.832 26.502 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.993 16.964 25.733 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.630 17.719 27.837 1.00 0.00 N ATOM 0 H ARG A 42 33.380 23.699 22.113 1.00 0.00 H new ATOM 0 HA ARG A 42 32.001 21.066 21.868 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.356 21.078 22.558 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.928 22.141 23.884 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.619 20.490 24.960 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.475 19.518 23.509 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.397 18.394 23.911 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.269 19.843 24.370 1.00 0.00 H new ATOM 0 HE ARG A 42 34.819 19.465 26.580 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.964 17.095 24.722 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.511 16.172 26.159 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.083 18.423 28.420 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.151 16.930 28.270 1.00 0.00 H new ATOM 680 N LEU A 43 30.094 22.048 23.252 1.00 0.00 N ATOM 681 CA LEU A 43 28.904 22.811 23.572 1.00 0.00 C ATOM 682 C LEU A 43 28.028 21.877 24.406 1.00 0.00 C ATOM 683 O LEU A 43 27.390 21.023 23.804 1.00 0.00 O ATOM 684 CB LEU A 43 28.150 23.434 22.396 1.00 0.00 C ATOM 685 CG LEU A 43 28.801 23.412 21.014 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.806 22.020 20.387 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.179 24.512 20.141 1.00 0.00 C ATOM 0 H LEU A 43 29.926 21.059 23.066 1.00 0.00 H new ATOM 0 HA LEU A 43 29.205 23.706 24.116 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.187 22.930 22.316 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.945 24.474 22.648 1.00 0.00 H new ATOM 0 HG LEU A 43 29.862 23.644 21.109 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.280 22.064 19.407 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.360 21.334 21.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.781 21.666 20.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.642 24.499 19.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.108 24.336 20.042 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.345 25.483 20.606 1.00 0.00 H new ATOM 699 N ILE A 44 28.043 22.014 25.730 1.00 0.00 N ATOM 700 CA ILE A 44 27.523 21.079 26.702 1.00 0.00 C ATOM 701 C ILE A 44 26.154 21.665 27.063 1.00 0.00 C ATOM 702 O ILE A 44 26.153 22.845 27.420 1.00 0.00 O ATOM 703 CB ILE A 44 28.490 21.098 27.886 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.912 20.720 27.499 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.999 20.523 29.220 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.134 19.208 27.445 1.00 0.00 C ATOM 0 H ILE A 44 28.448 22.839 26.173 1.00 0.00 H new ATOM 0 HA ILE A 44 27.425 20.046 26.367 1.00 0.00 H new ATOM 0 HB ILE A 44 28.520 22.155 28.150 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.144 21.151 26.525 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.607 21.158 28.216 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.791 20.604 29.965 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.125 21.081 29.557 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.731 19.475 29.088 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.167 19.002 27.164 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.931 18.775 28.425 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.462 18.768 26.708 1.00 0.00 H new ATOM 718 N PHE A 45 25.113 20.839 26.979 1.00 0.00 N ATOM 719 CA PHE A 45 23.738 21.201 27.233 1.00 0.00 C ATOM 720 C PHE A 45 23.171 19.920 27.831 1.00 0.00 C ATOM 721 O PHE A 45 23.035 18.957 27.087 1.00 0.00 O ATOM 722 CB PHE A 45 22.945 21.679 26.024 1.00 0.00 C ATOM 723 CG PHE A 45 21.529 22.171 26.227 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.229 23.515 26.506 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.459 21.303 26.018 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.904 23.954 26.587 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.134 21.740 26.200 1.00 0.00 C ATOM 728 CZ PHE A 45 18.817 23.085 26.430 1.00 0.00 C ATOM 0 H PHE A 45 25.220 19.858 26.720 1.00 0.00 H new ATOM 0 HA PHE A 45 23.672 22.075 27.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.510 22.485 25.557 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.909 20.858 25.308 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.033 24.219 26.660 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.649 20.284 25.713 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.712 25.000 26.777 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.335 21.014 26.161 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.795 23.431 26.483 1.00 0.00 H new ATOM 738 N ALA A 46 22.872 19.943 29.129 1.00 0.00 N ATOM 739 CA ALA A 46 22.291 18.840 29.881 1.00 0.00 C ATOM 740 C ALA A 46 23.382 17.833 30.249 1.00 0.00 C ATOM 741 O ALA A 46 23.171 16.626 30.211 1.00 0.00 O ATOM 742 CB ALA A 46 20.971 18.382 29.262 1.00 0.00 C ATOM 0 H ALA A 46 23.036 20.767 29.707 1.00 0.00 H new ATOM 0 HA ALA A 46 21.931 19.130 30.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.562 17.557 29.846 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.263 19.211 29.260 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.145 18.050 28.238 1.00 0.00 H new ATOM 748 N GLY A 47 24.587 18.308 30.531 1.00 0.00 N ATOM 749 CA GLY A 47 25.503 17.341 31.099 1.00 0.00 C ATOM 750 C GLY A 47 26.356 16.731 29.989 1.00 0.00 C ATOM 751 O GLY A 47 27.360 16.054 30.216 1.00 0.00 O ATOM 0 H GLY A 47 24.927 19.260 30.393 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.142 17.822 31.840 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.947 16.559 31.616 1.00 0.00 H new ATOM 755 N LYS A 48 26.022 16.975 28.725 1.00 0.00 N ATOM 756 CA LYS A 48 26.497 16.168 27.621 1.00 0.00 C ATOM 757 C LYS A 48 26.722 17.131 26.454 1.00 0.00 C ATOM 758 O LYS A 48 26.096 18.184 26.312 1.00 0.00 O ATOM 759 CB LYS A 48 25.646 14.909 27.399 1.00 0.00 C ATOM 760 CG LYS A 48 24.184 15.157 27.056 1.00 0.00 C ATOM 761 CD LYS A 48 23.094 14.180 27.526 1.00 0.00 C ATOM 762 CE LYS A 48 21.683 14.697 27.252 1.00 0.00 C ATOM 763 NZ LYS A 48 20.598 13.779 27.654 1.00 0.00 N ATOM 0 H LYS A 48 25.412 17.742 28.444 1.00 0.00 H new ATOM 0 HA LYS A 48 27.457 15.688 27.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.095 14.325 26.596 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.691 14.298 28.301 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.924 16.141 27.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.115 15.218 25.970 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.230 13.222 27.024 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.210 13.999 28.595 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.551 15.644 27.774 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.588 14.905 26.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.678 14.210 27.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.694 12.881 27.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.657 13.598 28.676 1.00 0.00 H new ATOM 777 N GLN A 49 27.753 16.785 25.697 1.00 0.00 N ATOM 778 CA GLN A 49 28.301 17.503 24.565 1.00 0.00 C ATOM 779 C GLN A 49 27.314 17.363 23.406 1.00 0.00 C ATOM 780 O GLN A 49 26.667 16.330 23.238 1.00 0.00 O ATOM 781 CB GLN A 49 29.654 16.902 24.208 1.00 0.00 C ATOM 782 CG GLN A 49 30.148 16.882 22.756 1.00 0.00 C ATOM 783 CD GLN A 49 30.246 18.219 22.031 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.235 19.306 22.590 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.357 18.116 20.704 1.00 0.00 N ATOM 0 H GLN A 49 28.267 15.923 25.877 1.00 0.00 H new ATOM 0 HA GLN A 49 28.447 18.559 24.792 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.404 17.433 24.794 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.648 15.870 24.558 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.134 16.418 22.742 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.483 16.236 22.183 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.364 17.196 20.263 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.435 18.957 20.132 1.00 0.00 H new ATOM 794 N LEU A 50 27.040 18.464 22.711 1.00 0.00 N ATOM 795 CA LEU A 50 26.125 18.554 21.583 1.00 0.00 C ATOM 796 C LEU A 50 26.858 18.259 20.276 1.00 0.00 C ATOM 797 O LEU A 50 27.713 19.040 19.853 1.00 0.00 O ATOM 798 CB LEU A 50 25.563 19.967 21.519 1.00 0.00 C ATOM 799 CG LEU A 50 24.525 20.387 22.561 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.084 21.845 22.383 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.333 19.425 22.511 1.00 0.00 C ATOM 0 H LEU A 50 27.473 19.361 22.933 1.00 0.00 H new ATOM 0 HA LEU A 50 25.325 17.826 21.716 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.401 20.661 21.588 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.117 20.102 20.534 1.00 0.00 H new ATOM 0 HG LEU A 50 24.985 20.329 23.548 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.347 22.098 23.145 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.949 22.501 22.483 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.643 21.974 21.395 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.593 19.724 23.253 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.883 19.454 21.518 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.674 18.412 22.726 1.00 0.00 H new ATOM 813 N GLU A 51 26.646 17.118 19.637 1.00 0.00 N ATOM 814 CA GLU A 51 27.529 16.520 18.654 1.00 0.00 C ATOM 815 C GLU A 51 26.758 16.539 17.333 1.00 0.00 C ATOM 816 O GLU A 51 25.537 16.579 17.289 1.00 0.00 O ATOM 817 CB GLU A 51 27.747 15.094 19.146 1.00 0.00 C ATOM 818 CG GLU A 51 28.916 14.330 18.526 1.00 0.00 C ATOM 819 CD GLU A 51 30.265 14.822 19.028 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.603 16.007 18.768 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.010 14.019 19.619 1.00 0.00 O ATOM 0 H GLU A 51 25.810 16.558 19.801 1.00 0.00 H new ATOM 0 HA GLU A 51 28.486 17.024 18.519 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.894 15.124 20.226 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.834 14.527 18.964 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.813 13.269 18.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.877 14.430 17.441 1.00 0.00 H new ATOM 828 N ASP A 52 27.443 16.400 16.193 1.00 0.00 N ATOM 829 CA ASP A 52 27.063 16.403 14.797 1.00 0.00 C ATOM 830 C ASP A 52 26.075 15.267 14.592 1.00 0.00 C ATOM 831 O ASP A 52 26.205 14.241 15.268 1.00 0.00 O ATOM 832 CB ASP A 52 28.292 16.212 13.899 1.00 0.00 C ATOM 833 CG ASP A 52 29.520 17.102 13.954 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.665 17.631 15.077 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.439 17.050 13.102 1.00 0.00 O ATOM 0 H ASP A 52 28.451 16.259 16.258 1.00 0.00 H new ATOM 0 HA ASP A 52 26.611 17.358 14.530 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.643 15.195 14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.930 16.253 12.872 1.00 0.00 H new ATOM 840 N GLY A 53 25.150 15.411 13.640 1.00 0.00 N ATOM 841 CA GLY A 53 24.305 14.317 13.209 1.00 0.00 C ATOM 842 C GLY A 53 22.879 14.502 13.727 1.00 0.00 C ATOM 843 O GLY A 53 21.969 13.829 13.265 1.00 0.00 O ATOM 0 H GLY A 53 24.973 16.290 13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.298 14.263 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.710 13.373 13.572 1.00 0.00 H new ATOM 847 N ARG A 54 22.715 15.288 14.782 1.00 0.00 N ATOM 848 CA ARG A 54 21.513 15.521 15.563 1.00 0.00 C ATOM 849 C ARG A 54 20.905 16.865 15.136 1.00 0.00 C ATOM 850 O ARG A 54 21.608 17.772 14.700 1.00 0.00 O ATOM 851 CB ARG A 54 21.943 15.668 17.020 1.00 0.00 C ATOM 852 CG ARG A 54 22.201 14.339 17.721 1.00 0.00 C ATOM 853 CD ARG A 54 23.544 13.681 17.380 1.00 0.00 C ATOM 854 NE ARG A 54 24.172 12.898 18.450 1.00 0.00 N ATOM 855 CZ ARG A 54 25.326 12.231 18.415 1.00 0.00 C ATOM 856 NH1 ARG A 54 26.155 12.290 17.366 1.00 0.00 N ATOM 857 NH2 ARG A 54 25.634 11.483 19.483 1.00 0.00 N ATOM 0 H ARG A 54 23.499 15.830 15.146 1.00 0.00 H new ATOM 0 HA ARG A 54 20.799 14.709 15.424 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.849 16.273 17.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.171 16.212 17.564 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.153 14.498 18.798 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.398 13.647 17.465 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.397 13.029 16.519 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.240 14.462 17.073 1.00 0.00 H new ATOM 0 HE ARG A 54 23.661 12.859 19.332 1.00 0.00 H new ATOM 0 HH11 ARG A 54 25.912 12.860 16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.029 11.765 17.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.996 11.442 20.278 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.506 10.955 19.501 1.00 0.00 H new ATOM 871 N THR A 55 19.611 17.021 15.387 1.00 0.00 N ATOM 872 CA THR A 55 18.974 18.326 15.370 1.00 0.00 C ATOM 873 C THR A 55 18.507 18.683 16.783 1.00 0.00 C ATOM 874 O THR A 55 18.494 17.860 17.689 1.00 0.00 O ATOM 875 CB THR A 55 17.846 18.231 14.336 1.00 0.00 C ATOM 876 OG1 THR A 55 16.669 17.503 14.593 1.00 0.00 O ATOM 877 CG2 THR A 55 18.336 17.676 12.992 1.00 0.00 C ATOM 0 H THR A 55 18.980 16.250 15.606 1.00 0.00 H new ATOM 0 HA THR A 55 19.644 19.135 15.080 1.00 0.00 H new ATOM 0 HB THR A 55 17.564 19.284 14.360 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.900 16.640 14.995 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.502 17.627 12.292 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.110 18.329 12.589 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.745 16.676 13.139 1.00 0.00 H new ATOM 885 N LEU A 56 18.002 19.899 16.918 1.00 0.00 N ATOM 886 CA LEU A 56 17.439 20.419 18.150 1.00 0.00 C ATOM 887 C LEU A 56 16.342 19.583 18.826 1.00 0.00 C ATOM 888 O LEU A 56 16.328 19.468 20.049 1.00 0.00 O ATOM 889 CB LEU A 56 17.026 21.870 17.910 1.00 0.00 C ATOM 890 CG LEU A 56 17.982 22.822 17.190 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.397 24.222 17.068 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.373 22.924 17.822 1.00 0.00 C ATOM 0 H LEU A 56 17.973 20.569 16.150 1.00 0.00 H new ATOM 0 HA LEU A 56 18.228 20.357 18.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.095 21.854 17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.800 22.309 18.882 1.00 0.00 H new ATOM 0 HG LEU A 56 18.106 22.375 16.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.106 24.869 16.551 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.466 24.179 16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.200 24.622 18.063 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.984 23.620 17.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.281 23.283 18.847 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.845 21.942 17.822 1.00 0.00 H new ATOM 904 N SER A 57 15.440 18.953 18.067 1.00 0.00 N ATOM 905 CA SER A 57 14.524 17.944 18.569 1.00 0.00 C ATOM 906 C SER A 57 15.189 16.698 19.163 1.00 0.00 C ATOM 907 O SER A 57 14.574 15.932 19.890 1.00 0.00 O ATOM 908 CB SER A 57 13.542 17.534 17.469 1.00 0.00 C ATOM 909 OG SER A 57 12.335 16.951 17.934 1.00 0.00 O ATOM 0 H SER A 57 15.330 19.139 17.070 1.00 0.00 H new ATOM 0 HA SER A 57 14.004 18.419 19.401 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.298 18.414 16.873 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.038 16.827 16.804 1.00 0.00 H new ATOM 0 HG SER A 57 11.767 16.721 17.169 1.00 0.00 H new ATOM 915 N ASP A 58 16.425 16.373 18.803 1.00 0.00 N ATOM 916 CA ASP A 58 17.207 15.229 19.227 1.00 0.00 C ATOM 917 C ASP A 58 17.986 15.456 20.521 1.00 0.00 C ATOM 918 O ASP A 58 18.728 14.599 20.998 1.00 0.00 O ATOM 919 CB ASP A 58 18.082 14.701 18.096 1.00 0.00 C ATOM 920 CG ASP A 58 17.274 14.329 16.850 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.580 13.304 16.976 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.449 14.907 15.758 1.00 0.00 O ATOM 0 H ASP A 58 16.947 16.958 18.150 1.00 0.00 H new ATOM 0 HA ASP A 58 16.488 14.448 19.474 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.823 15.456 17.832 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.630 13.825 18.444 1.00 0.00 H new ATOM 927 N TYR A 59 17.908 16.630 21.146 1.00 0.00 N ATOM 928 CA TYR A 59 18.481 16.901 22.450 1.00 0.00 C ATOM 929 C TYR A 59 17.518 17.727 23.312 1.00 0.00 C ATOM 930 O TYR A 59 17.740 17.843 24.515 1.00 0.00 O ATOM 931 CB TYR A 59 19.835 17.615 22.404 1.00 0.00 C ATOM 932 CG TYR A 59 21.024 16.941 21.763 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.774 16.108 22.609 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.439 17.226 20.465 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.933 15.499 22.093 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.719 16.817 20.051 1.00 0.00 C ATOM 937 CZ TYR A 59 23.364 15.832 20.809 1.00 0.00 C ATOM 938 OH TYR A 59 24.610 15.366 20.484 1.00 0.00 O ATOM 0 H TYR A 59 17.430 17.436 20.743 1.00 0.00 H new ATOM 0 HA TYR A 59 18.648 15.918 22.891 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.684 18.563 21.889 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.112 17.851 23.432 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.469 15.939 23.631 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.787 17.754 19.785 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.483 14.782 22.685 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.188 17.248 19.179 1.00 0.00 H new ATOM 0 HH TYR A 59 24.783 14.531 20.967 1.00 0.00 H new ATOM 948 N ASN A 60 16.407 18.176 22.723 1.00 0.00 N ATOM 949 CA ASN A 60 15.307 18.993 23.172 1.00 0.00 C ATOM 950 C ASN A 60 15.785 20.422 23.450 1.00 0.00 C ATOM 951 O ASN A 60 15.808 20.908 24.576 1.00 0.00 O ATOM 952 CB ASN A 60 14.667 18.324 24.395 1.00 0.00 C ATOM 953 CG ASN A 60 13.163 18.553 24.510 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.686 19.539 23.942 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.509 17.596 25.151 1.00 0.00 N ATOM 0 H ASN A 60 16.248 17.919 21.749 1.00 0.00 H new ATOM 0 HA ASN A 60 14.544 19.074 22.398 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.859 17.252 24.352 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.151 18.699 25.297 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.491 17.627 25.213 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.023 16.828 25.582 1.00 0.00 H new ATOM 962 N ILE A 61 16.093 21.144 22.374 1.00 0.00 N ATOM 963 CA ILE A 61 16.600 22.493 22.458 1.00 0.00 C ATOM 964 C ILE A 61 15.542 23.287 21.687 1.00 0.00 C ATOM 965 O ILE A 61 15.188 22.845 20.588 1.00 0.00 O ATOM 966 CB ILE A 61 18.040 22.569 21.930 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.012 21.820 22.833 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.466 23.990 21.568 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.456 21.804 22.346 1.00 0.00 C ATOM 0 H ILE A 61 15.994 20.799 21.419 1.00 0.00 H new ATOM 0 HA ILE A 61 16.716 22.900 23.463 1.00 0.00 H new ATOM 0 HB ILE A 61 18.068 22.039 20.978 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.983 22.270 23.826 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.668 20.791 22.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.492 23.980 21.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.807 24.381 20.792 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.403 24.625 22.452 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.072 21.249 23.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.505 21.325 21.368 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.825 22.827 22.268 1.00 0.00 H new ATOM 981 N GLN A 62 15.139 24.424 22.236 1.00 0.00 N ATOM 982 CA GLN A 62 14.260 25.390 21.616 1.00 0.00 C ATOM 983 C GLN A 62 14.551 26.797 22.171 1.00 0.00 C ATOM 984 O GLN A 62 15.599 27.050 22.760 1.00 0.00 O ATOM 985 CB GLN A 62 12.849 24.818 21.681 1.00 0.00 C ATOM 986 CG GLN A 62 12.152 24.779 23.041 1.00 0.00 C ATOM 987 CD GLN A 62 10.732 24.260 22.889 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.198 23.601 21.998 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.977 24.682 23.902 1.00 0.00 N ATOM 0 H GLN A 62 15.433 24.706 23.171 1.00 0.00 H new ATOM 0 HA GLN A 62 14.425 25.556 20.551 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.223 25.396 21.001 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.883 23.800 21.294 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.709 24.139 23.725 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.137 25.777 23.479 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.393 25.230 24.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.982 24.457 23.925 1.00 0.00 H new ATOM 998 N LYS A 63 13.652 27.743 21.908 1.00 0.00 N ATOM 999 CA LYS A 63 13.782 29.148 22.232 1.00 0.00 C ATOM 1000 C LYS A 63 14.169 29.419 23.689 1.00 0.00 C ATOM 1001 O LYS A 63 13.704 28.732 24.590 1.00 0.00 O ATOM 1002 CB LYS A 63 12.534 29.926 21.838 1.00 0.00 C ATOM 1003 CG LYS A 63 11.272 29.210 22.341 1.00 0.00 C ATOM 1004 CD LYS A 63 10.024 29.705 21.615 1.00 0.00 C ATOM 1005 CE LYS A 63 8.904 28.702 21.918 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.636 28.991 21.226 1.00 0.00 N ATOM 0 H LYS A 63 12.771 27.532 21.439 1.00 0.00 H new ATOM 0 HA LYS A 63 14.619 29.508 21.634 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.579 30.932 22.255 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.491 30.032 20.754 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.378 28.135 22.193 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.161 29.375 23.413 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.750 30.704 21.955 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.203 29.772 20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.239 27.703 21.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.724 28.688 22.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.930 28.271 21.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.291 29.930 21.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.790 28.976 20.198 1.00 0.00 H new ATOM 1020 N GLU A 64 15.011 30.414 23.969 1.00 0.00 N ATOM 1021 CA GLU A 64 15.222 30.992 25.274 1.00 0.00 C ATOM 1022 C GLU A 64 16.314 30.300 26.092 1.00 0.00 C ATOM 1023 O GLU A 64 16.602 30.669 27.233 1.00 0.00 O ATOM 1024 CB GLU A 64 13.924 31.437 25.938 1.00 0.00 C ATOM 1025 CG GLU A 64 14.024 32.512 27.025 1.00 0.00 C ATOM 1026 CD GLU A 64 14.191 33.907 26.441 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.305 34.003 25.203 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.158 34.808 27.303 1.00 0.00 O ATOM 0 H GLU A 64 15.587 30.852 23.250 1.00 0.00 H new ATOM 0 HA GLU A 64 15.712 31.959 25.161 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.256 31.805 25.160 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.450 30.558 26.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.127 32.484 27.644 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.869 32.289 27.677 1.00 0.00 H new ATOM 1035 N SER A 65 16.816 29.171 25.606 1.00 0.00 N ATOM 1036 CA SER A 65 17.987 28.505 26.144 1.00 0.00 C ATOM 1037 C SER A 65 19.330 29.246 26.096 1.00 0.00 C ATOM 1038 O SER A 65 19.542 30.090 25.225 1.00 0.00 O ATOM 1039 CB SER A 65 18.189 27.148 25.490 1.00 0.00 C ATOM 1040 OG SER A 65 17.009 26.386 25.610 1.00 0.00 O ATOM 0 H SER A 65 16.407 28.685 24.808 1.00 0.00 H new ATOM 0 HA SER A 65 17.732 28.443 27.202 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.447 27.274 24.439 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.021 26.626 25.962 1.00 0.00 H new ATOM 0 HG SER A 65 16.467 26.493 24.801 1.00 0.00 H new ATOM 1046 N THR A 66 20.207 28.936 27.049 1.00 0.00 N ATOM 1047 CA THR A 66 21.589 29.362 27.133 1.00 0.00 C ATOM 1048 C THR A 66 22.394 28.107 26.781 1.00 0.00 C ATOM 1049 O THR A 66 22.256 27.080 27.445 1.00 0.00 O ATOM 1050 CB THR A 66 22.017 29.802 28.529 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.287 30.895 29.055 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.492 30.172 28.704 1.00 0.00 C ATOM 0 H THR A 66 19.945 28.339 27.834 1.00 0.00 H new ATOM 0 HA THR A 66 21.743 30.221 26.480 1.00 0.00 H new ATOM 0 HB THR A 66 21.805 28.882 29.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.622 31.112 29.950 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.673 30.468 29.737 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.115 29.312 28.458 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.740 31.001 28.041 1.00 0.00 H new ATOM 1060 N LEU A 67 23.169 28.154 25.697 1.00 0.00 N ATOM 1061 CA LEU A 67 24.193 27.228 25.285 1.00 0.00 C ATOM 1062 C LEU A 67 25.489 27.733 25.930 1.00 0.00 C ATOM 1063 O LEU A 67 25.684 28.936 26.101 1.00 0.00 O ATOM 1064 CB LEU A 67 24.473 27.138 23.784 1.00 0.00 C ATOM 1065 CG LEU A 67 23.381 26.575 22.859 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.862 26.593 21.403 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.934 25.173 23.281 1.00 0.00 C ATOM 0 H LEU A 67 23.076 28.920 25.030 1.00 0.00 H new ATOM 0 HA LEU A 67 23.849 26.238 25.583 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.718 28.141 23.433 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.366 26.527 23.651 1.00 0.00 H new ATOM 0 HG LEU A 67 22.506 27.219 22.946 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.081 26.192 20.757 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.088 27.617 21.107 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.760 25.982 21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.162 24.817 22.599 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.787 24.495 23.251 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.534 25.208 24.295 1.00 0.00 H new ATOM 1079 N HIS A 68 26.344 26.806 26.346 1.00 0.00 N ATOM 1080 CA HIS A 68 27.556 27.119 27.079 1.00 0.00 C ATOM 1081 C HIS A 68 28.724 26.335 26.481 1.00 0.00 C ATOM 1082 O HIS A 68 28.506 25.169 26.207 1.00 0.00 O ATOM 1083 CB HIS A 68 27.230 27.128 28.581 1.00 0.00 C ATOM 1084 CG HIS A 68 26.625 25.898 29.187 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.254 24.773 29.730 1.00 0.00 N ATOM 1086 CD2 HIS A 68 25.296 25.751 29.523 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.327 24.000 30.298 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.127 24.591 30.254 1.00 0.00 N ATOM 0 H HIS A 68 26.211 25.808 26.180 1.00 0.00 H new ATOM 0 HA HIS A 68 27.952 28.128 26.966 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.153 27.344 29.120 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.550 27.959 28.768 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.507 26.438 29.255 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.519 23.030 30.734 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.262 24.253 30.675 1.00 0.00 H new ATOM 1096 N LEU A 69 29.891 26.958 26.276 1.00 0.00 N ATOM 1097 CA LEU A 69 30.947 26.423 25.437 1.00 0.00 C ATOM 1098 C LEU A 69 32.280 26.300 26.178 1.00 0.00 C ATOM 1099 O LEU A 69 32.566 27.014 27.130 1.00 0.00 O ATOM 1100 CB LEU A 69 31.077 27.257 24.159 1.00 0.00 C ATOM 1101 CG LEU A 69 30.059 27.245 23.018 1.00 0.00 C ATOM 1102 CD1 LEU A 69 28.840 28.169 23.091 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.698 27.411 21.638 1.00 0.00 C ATOM 0 H LEU A 69 30.122 27.858 26.697 1.00 0.00 H new ATOM 0 HA LEU A 69 30.668 25.407 25.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.160 28.295 24.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.034 26.984 23.715 1.00 0.00 H new ATOM 0 HG LEU A 69 29.659 26.242 23.169 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.225 28.031 22.202 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.254 27.929 23.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.172 29.206 23.145 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.922 27.394 20.873 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.229 28.362 21.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.399 26.596 21.461 1.00 0.00 H new ATOM 1115 N VAL A 70 33.126 25.381 25.716 1.00 0.00 N ATOM 1116 CA VAL A 70 34.522 25.126 26.014 1.00 0.00 C ATOM 1117 C VAL A 70 35.258 24.655 24.756 1.00 0.00 C ATOM 1118 O VAL A 70 34.722 24.830 23.664 1.00 0.00 O ATOM 1119 CB VAL A 70 34.797 24.239 27.220 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.587 25.070 28.495 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.078 22.892 27.160 1.00 0.00 C ATOM 0 H VAL A 70 32.793 24.707 25.027 1.00 0.00 H new ATOM 0 HA VAL A 70 34.928 26.087 26.330 1.00 0.00 H new ATOM 0 HB VAL A 70 35.839 23.919 27.222 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.780 24.449 29.370 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.272 25.918 28.494 1.00 0.00 H new ATOM 0 HG13 VAL A 70 33.560 25.433 28.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.319 22.311 28.050 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.001 23.056 27.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.400 22.347 26.273 1.00 0.00 H new ATOM 1131 N LEU A 71 36.559 24.372 24.861 1.00 0.00 N ATOM 1132 CA LEU A 71 37.290 23.937 23.680 1.00 0.00 C ATOM 1133 C LEU A 71 37.269 22.407 23.684 1.00 0.00 C ATOM 1134 O LEU A 71 37.431 21.765 24.731 1.00 0.00 O ATOM 1135 CB LEU A 71 38.770 24.236 23.872 1.00 0.00 C ATOM 1136 CG LEU A 71 39.195 25.690 24.030 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.391 26.085 25.497 1.00 0.00 C ATOM 1138 CD2 LEU A 71 40.461 26.144 23.303 1.00 0.00 C ATOM 0 H LEU A 71 37.107 24.434 25.719 1.00 0.00 H new ATOM 0 HA LEU A 71 36.861 24.411 22.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 39.108 23.692 24.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.307 23.823 23.018 1.00 0.00 H new ATOM 0 HG LEU A 71 38.349 26.189 23.557 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.694 27.131 25.555 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.455 25.947 26.039 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.164 25.459 25.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 40.639 27.200 23.507 1.00 0.00 H new ATOM 0 HD22 LEU A 71 41.311 25.558 23.653 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.337 25.998 22.230 1.00 0.00 H new ATOM 1150 N ARG A 72 37.180 21.849 22.490 1.00 0.00 N ATOM 1151 CA ARG A 72 37.500 20.445 22.298 1.00 0.00 C ATOM 1152 C ARG A 72 38.995 20.302 21.972 1.00 0.00 C ATOM 1153 O ARG A 72 39.513 21.127 21.224 1.00 0.00 O ATOM 1154 CB ARG A 72 36.726 19.951 21.082 1.00 0.00 C ATOM 1155 CG ARG A 72 36.816 18.447 20.804 1.00 0.00 C ATOM 1156 CD ARG A 72 35.829 17.942 19.744 1.00 0.00 C ATOM 1157 NE ARG A 72 35.204 16.677 20.144 1.00 0.00 N ATOM 1158 CZ ARG A 72 33.997 16.217 19.789 1.00 0.00 C ATOM 1159 NH1 ARG A 72 33.218 16.924 18.959 1.00 0.00 N ATOM 1160 NH2 ARG A 72 33.510 15.087 20.326 1.00 0.00 N ATOM 0 H ARG A 72 36.891 22.341 21.645 1.00 0.00 H new ATOM 0 HA ARG A 72 37.249 19.882 23.197 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.676 20.216 21.210 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.085 20.487 20.203 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.830 18.209 20.483 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.641 17.906 21.734 1.00 0.00 H new ATOM 0 HD2 ARG A 72 35.057 18.693 19.579 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.350 17.807 18.796 1.00 0.00 H new ATOM 0 HE ARG A 72 35.751 16.079 20.763 1.00 0.00 H new ATOM 0 HH11 ARG A 72 33.543 17.819 18.593 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.300 16.567 18.693 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.060 14.570 21.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.590 14.746 20.048 1.00 0.00 H new ATOM 1174 N LEU A 73 39.713 19.423 22.664 1.00 0.00 N ATOM 1175 CA LEU A 73 41.154 19.406 22.550 1.00 0.00 C ATOM 1176 C LEU A 73 41.531 17.923 22.442 1.00 0.00 C ATOM 1177 O LEU A 73 42.472 17.494 23.101 1.00 0.00 O ATOM 1178 CB LEU A 73 41.790 20.156 23.717 1.00 0.00 C ATOM 1179 CG LEU A 73 41.559 21.664 23.883 1.00 0.00 C ATOM 1180 CD1 LEU A 73 42.059 22.189 25.224 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.107 22.498 22.729 1.00 0.00 C ATOM 0 H LEU A 73 39.322 18.726 23.298 1.00 0.00 H new ATOM 0 HA LEU A 73 41.533 19.932 21.673 1.00 0.00 H new ATOM 0 HB2 LEU A 73 41.451 19.674 24.634 1.00 0.00 H new ATOM 0 HB3 LEU A 73 42.867 19.999 23.654 1.00 0.00 H new ATOM 0 HG LEU A 73 40.476 21.782 23.863 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.871 23.261 25.288 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.535 21.679 26.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 43.129 22.003 25.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 41.907 23.553 22.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.182 22.342 22.646 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.623 22.196 21.800 1.00 0.00 H new ATOM 1193 N ARG A 74 40.747 17.096 21.756 1.00 0.00 N ATOM 1194 CA ARG A 74 40.904 15.664 21.537 1.00 0.00 C ATOM 1195 C ARG A 74 40.565 15.493 20.056 1.00 0.00 C ATOM 1196 O ARG A 74 41.469 15.311 19.239 1.00 0.00 O ATOM 1197 CB ARG A 74 40.097 14.739 22.446 1.00 0.00 C ATOM 1198 CG ARG A 74 40.435 13.255 22.372 1.00 0.00 C ATOM 1199 CD ARG A 74 39.328 12.262 22.723 1.00 0.00 C ATOM 1200 NE ARG A 74 39.483 10.901 22.224 1.00 0.00 N ATOM 1201 CZ ARG A 74 39.229 10.328 21.033 1.00 0.00 C ATOM 1202 NH1 ARG A 74 38.934 11.149 20.017 1.00 0.00 N ATOM 1203 NH2 ARG A 74 39.455 9.003 20.918 1.00 0.00 N ATOM 0 H ARG A 74 39.907 17.447 21.297 1.00 0.00 H new ATOM 0 HA ARG A 74 41.915 15.351 21.800 1.00 0.00 H new ATOM 0 HB2 ARG A 74 40.231 15.069 23.476 1.00 0.00 H new ATOM 0 HB3 ARG A 74 39.041 14.861 22.207 1.00 0.00 H new ATOM 0 HG2 ARG A 74 40.774 13.037 21.359 1.00 0.00 H new ATOM 0 HG3 ARG A 74 41.278 13.068 23.037 1.00 0.00 H new ATOM 0 HD2 ARG A 74 39.243 12.218 23.809 1.00 0.00 H new ATOM 0 HD3 ARG A 74 38.385 12.657 22.345 1.00 0.00 H new ATOM 0 HE ARG A 74 39.859 10.253 22.916 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.910 12.158 20.167 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.733 10.766 19.093 1.00 0.00 H new ATOM 0 HH21 ARG A 74 39.805 8.474 21.717 1.00 0.00 H new ATOM 0 HH22 ARG A 74 39.275 8.530 20.032 1.00 0.00 H new ATOM 1217 N GLY A 75 39.295 15.573 19.678 1.00 0.00 N ATOM 1218 CA GLY A 75 38.683 15.416 18.375 1.00 0.00 C ATOM 1219 C GLY A 75 37.645 14.299 18.362 1.00 0.00 C ATOM 1220 O GLY A 75 37.696 13.432 19.228 1.00 0.00 O ATOM 0 H GLY A 75 38.580 15.777 20.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 38.211 16.353 18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 75 39.455 15.202 17.635 1.00 0.00 H new ATOM 1224 N GLY A 76 36.654 14.403 17.470 1.00 0.00 N ATOM 1225 CA GLY A 76 35.486 13.543 17.378 1.00 0.00 C ATOM 1226 C GLY A 76 35.460 12.743 16.084 1.00 0.00 C ATOM 1227 O GLY A 76 35.840 13.257 15.006 1.00 0.00 O ATOM 1228 OXT GLY A 76 35.019 11.578 16.128 1.00 0.00 O ATOM 0 H GLY A 76 36.652 15.132 16.757 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.473 12.859 18.226 1.00 0.00 H new ATOM 0 HA3 GLY A 76 34.584 14.151 17.445 1.00 0.00 H new TER 1232 GLY A 76