USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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= 0.63 K(o=2,f=-3.6) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -168:sc= 1.36 (180deg=0.452) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 178:sc= 1.85 (180deg=1.01) USER MOD Set 2.2: A 12 THR OG1 : rot -165:sc= 0.819 USER MOD Single : A 1 MET CE :methyl -112:sc= -0.0087 (180deg=-0.154) USER MOD Single : A 1 MET N :NH3+ -114:sc= 1.13 (180deg=-0.342) USER MOD Single : A 2 GLN : amide:sc= 0.184 K(o=0.18,f=-4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.261 USER MOD Single : A 20 SER OG : rot 116:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.77 (180deg=-0.808) USER MOD Single : A 31 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.48) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 101:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 51:sc= 0.0393 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.509 26.698 33.494 1.00 0.00 N ATOM 2 CA MET A 1 19.363 26.652 32.287 1.00 0.00 C ATOM 3 C MET A 1 20.787 26.281 32.680 1.00 0.00 C ATOM 4 O MET A 1 21.529 27.138 33.143 1.00 0.00 O ATOM 5 CB MET A 1 19.340 27.982 31.500 1.00 0.00 C ATOM 6 CG MET A 1 19.354 29.252 32.368 1.00 0.00 C ATOM 7 SD MET A 1 17.710 29.722 32.974 1.00 0.00 S ATOM 8 CE MET A 1 18.170 30.758 34.391 1.00 0.00 C ATOM 0 H1 MET A 1 17.798 25.940 33.446 1.00 0.00 H new ATOM 0 H2 MET A 1 19.098 26.567 34.341 1.00 0.00 H new ATOM 0 H3 MET A 1 18.029 27.619 33.545 1.00 0.00 H new ATOM 0 HA MET A 1 18.959 25.889 31.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.202 28.007 30.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.450 27.999 30.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.017 29.095 33.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.770 30.076 31.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.879 30.260 35.316 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.248 30.919 34.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.660 31.719 34.320 1.00 0.00 H new ATOM 20 N GLN A 2 21.191 25.021 32.508 1.00 0.00 N ATOM 21 CA GLN A 2 22.596 24.639 32.697 1.00 0.00 C ATOM 22 C GLN A 2 23.439 24.915 31.440 1.00 0.00 C ATOM 23 O GLN A 2 22.951 24.795 30.310 1.00 0.00 O ATOM 24 CB GLN A 2 22.728 23.172 33.139 1.00 0.00 C ATOM 25 CG GLN A 2 21.863 22.793 34.357 1.00 0.00 C ATOM 26 CD GLN A 2 20.600 22.022 33.966 1.00 0.00 C ATOM 27 OE1 GLN A 2 19.798 22.450 33.140 1.00 0.00 O ATOM 28 NE2 GLN A 2 20.395 20.842 34.514 1.00 0.00 N ATOM 0 H GLN A 2 20.575 24.253 32.241 1.00 0.00 H new ATOM 0 HA GLN A 2 22.989 25.265 33.498 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.458 22.528 32.302 1.00 0.00 H new ATOM 0 HB3 GLN A 2 23.773 22.969 33.374 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.455 22.188 35.044 1.00 0.00 H new ATOM 0 HG3 GLN A 2 21.580 23.699 34.893 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.055 20.477 35.201 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.576 20.293 34.251 1.00 0.00 H new ATOM 37 N ILE A 3 24.717 25.232 31.651 1.00 0.00 N ATOM 38 CA ILE A 3 25.744 25.355 30.605 1.00 0.00 C ATOM 39 C ILE A 3 26.844 24.312 30.822 1.00 0.00 C ATOM 40 O ILE A 3 27.352 24.134 31.928 1.00 0.00 O ATOM 41 CB ILE A 3 26.317 26.787 30.500 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.002 27.304 31.791 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.203 27.752 30.059 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.535 27.274 31.735 1.00 0.00 C ATOM 0 H ILE A 3 25.082 25.417 32.585 1.00 0.00 H new ATOM 0 HA ILE A 3 25.266 25.157 29.645 1.00 0.00 H new ATOM 0 HB ILE A 3 27.110 26.745 29.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 26.675 28.326 31.980 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.667 26.701 32.635 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.605 28.762 29.984 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.817 27.443 29.088 1.00 0.00 H new ATOM 0 HG23 ILE A 3 24.396 27.736 30.792 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.941 27.650 32.674 1.00 0.00 H new ATOM 0 HD12 ILE A 3 28.873 26.250 31.578 1.00 0.00 H new ATOM 0 HD13 ILE A 3 28.881 27.900 30.913 1.00 0.00 H new ATOM 56 N PHE A 4 27.182 23.600 29.752 1.00 0.00 N ATOM 57 CA PHE A 4 28.266 22.620 29.745 1.00 0.00 C ATOM 58 C PHE A 4 29.585 23.280 29.330 1.00 0.00 C ATOM 59 O PHE A 4 29.617 24.174 28.484 1.00 0.00 O ATOM 60 CB PHE A 4 27.898 21.396 28.893 1.00 0.00 C ATOM 61 CG PHE A 4 27.225 20.287 29.690 1.00 0.00 C ATOM 62 CD1 PHE A 4 26.006 20.513 30.357 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.853 19.034 29.812 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.434 19.501 31.149 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.286 18.022 30.606 1.00 0.00 C ATOM 66 CZ PHE A 4 26.077 18.257 31.281 1.00 0.00 C ATOM 0 H PHE A 4 26.706 23.687 28.854 1.00 0.00 H new ATOM 0 HA PHE A 4 28.415 22.244 30.757 1.00 0.00 H new ATOM 0 HB2 PHE A 4 27.234 21.709 28.087 1.00 0.00 H new ATOM 0 HB3 PHE A 4 28.801 21.002 28.427 1.00 0.00 H new ATOM 0 HD1 PHE A 4 25.508 21.467 30.260 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.780 18.848 29.290 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.498 19.680 31.657 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.779 17.065 30.697 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.643 17.485 31.899 1.00 0.00 H new ATOM 76 N VAL A 5 30.705 22.858 29.910 1.00 0.00 N ATOM 77 CA VAL A 5 32.025 23.407 29.587 1.00 0.00 C ATOM 78 C VAL A 5 32.854 22.270 29.025 1.00 0.00 C ATOM 79 O VAL A 5 32.887 21.196 29.619 1.00 0.00 O ATOM 80 CB VAL A 5 32.673 24.064 30.822 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.076 24.583 30.494 1.00 0.00 C ATOM 82 CG2 VAL A 5 31.835 25.237 31.349 1.00 0.00 C ATOM 0 H VAL A 5 30.726 22.125 30.619 1.00 0.00 H new ATOM 0 HA VAL A 5 31.949 24.203 28.846 1.00 0.00 H new ATOM 0 HB VAL A 5 32.730 23.291 31.589 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.511 25.042 31.382 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.704 23.753 30.169 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.013 25.324 29.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 32.326 25.673 32.219 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.738 25.994 30.570 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.845 24.879 31.632 1.00 0.00 H new ATOM 92 N LYS A 6 33.508 22.484 27.884 1.00 0.00 N ATOM 93 CA LYS A 6 34.501 21.582 27.306 1.00 0.00 C ATOM 94 C LYS A 6 35.876 22.226 27.346 1.00 0.00 C ATOM 95 O LYS A 6 36.077 23.325 26.825 1.00 0.00 O ATOM 96 CB LYS A 6 34.107 21.203 25.866 1.00 0.00 C ATOM 97 CG LYS A 6 33.331 19.888 25.765 1.00 0.00 C ATOM 98 CD LYS A 6 34.118 18.677 26.292 1.00 0.00 C ATOM 99 CE LYS A 6 33.649 17.426 25.536 1.00 0.00 C ATOM 100 NZ LYS A 6 33.801 16.166 26.305 1.00 0.00 N ATOM 0 H LYS A 6 33.355 23.319 27.318 1.00 0.00 H new ATOM 0 HA LYS A 6 34.536 20.666 27.896 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.502 22.005 25.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 35.010 21.129 25.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 32.400 19.979 26.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.061 19.712 24.724 1.00 0.00 H new ATOM 0 HD2 LYS A 6 35.188 18.828 26.148 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.955 18.556 27.363 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.601 17.550 25.264 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.212 17.343 24.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.433 15.371 25.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.807 16.006 26.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.269 16.237 27.196 1.00 0.00 H new ATOM 114 N THR A 7 36.832 21.557 27.927 1.00 0.00 N ATOM 115 CA THR A 7 38.243 21.955 27.892 1.00 0.00 C ATOM 116 C THR A 7 38.959 21.270 26.726 1.00 0.00 C ATOM 117 O THR A 7 38.475 20.262 26.204 1.00 0.00 O ATOM 118 CB THR A 7 38.976 21.722 29.223 1.00 0.00 C ATOM 119 OG1 THR A 7 39.431 20.391 29.319 1.00 0.00 O ATOM 120 CG2 THR A 7 38.135 22.019 30.471 1.00 0.00 C ATOM 0 H THR A 7 36.666 20.699 28.454 1.00 0.00 H new ATOM 0 HA THR A 7 38.265 23.033 27.734 1.00 0.00 H new ATOM 0 HB THR A 7 39.805 22.429 29.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.896 20.265 30.173 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.730 21.828 31.364 1.00 0.00 H new ATOM 0 HG22 THR A 7 37.823 23.063 30.459 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.254 21.377 30.477 1.00 0.00 H new ATOM 128 N LEU A 8 40.149 21.759 26.360 1.00 0.00 N ATOM 129 CA LEU A 8 41.048 21.095 25.394 1.00 0.00 C ATOM 130 C LEU A 8 41.384 19.631 25.736 1.00 0.00 C ATOM 131 O LEU A 8 41.744 18.859 24.857 1.00 0.00 O ATOM 132 CB LEU A 8 42.353 21.910 25.284 1.00 0.00 C ATOM 133 CG LEU A 8 42.494 22.640 23.941 1.00 0.00 C ATOM 134 CD1 LEU A 8 41.350 23.624 23.722 1.00 0.00 C ATOM 135 CD2 LEU A 8 43.828 23.387 23.919 1.00 0.00 C ATOM 0 H LEU A 8 40.524 22.634 26.726 1.00 0.00 H new ATOM 0 HA LEU A 8 40.511 21.063 24.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 42.388 22.640 26.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 43.204 21.243 25.419 1.00 0.00 H new ATOM 0 HG LEU A 8 42.460 21.903 23.139 1.00 0.00 H new ATOM 0 HD11 LEU A 8 41.479 24.125 22.762 1.00 0.00 H new ATOM 0 HD12 LEU A 8 40.402 23.086 23.726 1.00 0.00 H new ATOM 0 HD13 LEU A 8 41.350 24.366 24.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 43.937 23.909 22.968 1.00 0.00 H new ATOM 0 HD22 LEU A 8 43.854 24.110 24.735 1.00 0.00 H new ATOM 0 HD23 LEU A 8 44.645 22.676 24.038 1.00 0.00 H new ATOM 147 N THR A 9 41.243 19.223 26.997 1.00 0.00 N ATOM 148 CA THR A 9 41.480 17.862 27.480 1.00 0.00 C ATOM 149 C THR A 9 40.174 17.042 27.472 1.00 0.00 C ATOM 150 O THR A 9 40.013 16.076 28.217 1.00 0.00 O ATOM 151 CB THR A 9 42.221 17.895 28.835 1.00 0.00 C ATOM 152 OG1 THR A 9 43.210 18.909 28.770 1.00 0.00 O ATOM 153 CG2 THR A 9 42.979 16.606 29.155 1.00 0.00 C ATOM 0 H THR A 9 40.949 19.857 27.740 1.00 0.00 H new ATOM 0 HA THR A 9 42.146 17.334 26.798 1.00 0.00 H new ATOM 0 HB THR A 9 41.459 18.054 29.598 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.693 18.950 29.622 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.474 16.705 30.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.279 15.771 29.189 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.726 16.422 28.383 1.00 0.00 H new ATOM 161 N GLY A 10 39.190 17.468 26.666 1.00 0.00 N ATOM 162 CA GLY A 10 37.870 16.850 26.521 1.00 0.00 C ATOM 163 C GLY A 10 37.032 16.845 27.801 1.00 0.00 C ATOM 164 O GLY A 10 36.058 16.093 27.886 1.00 0.00 O ATOM 0 H GLY A 10 39.301 18.290 26.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.319 17.377 25.742 1.00 0.00 H new ATOM 0 HA3 GLY A 10 37.998 15.822 26.181 1.00 0.00 H new ATOM 168 N LYS A 11 37.370 17.678 28.791 1.00 0.00 N ATOM 169 CA LYS A 11 36.792 17.649 30.136 1.00 0.00 C ATOM 170 C LYS A 11 35.438 18.321 30.081 1.00 0.00 C ATOM 171 O LYS A 11 35.358 19.536 29.935 1.00 0.00 O ATOM 172 CB LYS A 11 37.750 18.299 31.150 1.00 0.00 C ATOM 173 CG LYS A 11 37.332 18.212 32.626 1.00 0.00 C ATOM 174 CD LYS A 11 37.260 16.776 33.162 1.00 0.00 C ATOM 175 CE LYS A 11 35.824 16.238 33.130 1.00 0.00 C ATOM 176 NZ LYS A 11 35.779 14.796 33.465 1.00 0.00 N ATOM 0 H LYS A 11 38.071 18.409 28.675 1.00 0.00 H new ATOM 0 HA LYS A 11 36.651 16.624 30.478 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.730 17.834 31.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 37.866 19.351 30.887 1.00 0.00 H new ATOM 0 HG2 LYS A 11 38.040 18.781 33.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.358 18.685 32.747 1.00 0.00 H new ATOM 0 HD2 LYS A 11 37.905 16.131 32.566 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.638 16.748 34.184 1.00 0.00 H new ATOM 0 HE2 LYS A 11 35.209 16.796 33.836 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.397 16.396 32.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.794 14.463 33.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 36.347 14.262 32.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.165 14.649 34.420 1.00 0.00 H new ATOM 190 N THR A 12 34.389 17.508 30.125 1.00 0.00 N ATOM 191 CA THR A 12 33.006 17.970 30.197 1.00 0.00 C ATOM 192 C THR A 12 32.633 18.306 31.636 1.00 0.00 C ATOM 193 O THR A 12 32.792 17.462 32.517 1.00 0.00 O ATOM 194 CB THR A 12 32.008 16.970 29.572 1.00 0.00 C ATOM 195 OG1 THR A 12 32.645 15.878 28.922 1.00 0.00 O ATOM 196 CG2 THR A 12 31.241 17.683 28.466 1.00 0.00 C ATOM 0 H THR A 12 34.476 16.492 30.111 1.00 0.00 H new ATOM 0 HA THR A 12 32.937 18.878 29.598 1.00 0.00 H new ATOM 0 HB THR A 12 31.387 16.605 30.390 1.00 0.00 H new ATOM 0 HG1 THR A 12 31.997 15.414 28.351 1.00 0.00 H new ATOM 0 HG21 THR A 12 30.531 16.992 28.012 1.00 0.00 H new ATOM 0 HG22 THR A 12 30.703 18.533 28.886 1.00 0.00 H new ATOM 0 HG23 THR A 12 31.940 18.035 27.707 1.00 0.00 H new ATOM 204 N ILE A 13 32.161 19.531 31.860 1.00 0.00 N ATOM 205 CA ILE A 13 31.731 20.091 33.155 1.00 0.00 C ATOM 206 C ILE A 13 30.349 20.742 32.999 1.00 0.00 C ATOM 207 O ILE A 13 29.860 20.878 31.880 1.00 0.00 O ATOM 208 CB ILE A 13 32.741 21.130 33.728 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.086 21.190 32.970 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.938 20.855 35.232 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.117 22.168 33.542 1.00 0.00 C ATOM 0 H ILE A 13 32.060 20.205 31.102 1.00 0.00 H new ATOM 0 HA ILE A 13 31.685 19.266 33.865 1.00 0.00 H new ATOM 0 HB ILE A 13 32.311 22.121 33.584 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.523 20.192 32.960 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.888 21.462 31.933 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.643 21.576 35.644 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.982 20.947 35.747 1.00 0.00 H new ATOM 0 HG23 ILE A 13 33.328 19.847 35.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.024 22.134 32.939 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.708 23.178 33.526 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.353 21.888 34.569 1.00 0.00 H new ATOM 223 N THR A 14 29.768 21.221 34.105 1.00 0.00 N ATOM 224 CA THR A 14 28.398 21.737 34.201 1.00 0.00 C ATOM 225 C THR A 14 28.362 22.922 35.164 1.00 0.00 C ATOM 226 O THR A 14 28.966 22.858 36.237 1.00 0.00 O ATOM 227 CB THR A 14 27.422 20.657 34.714 1.00 0.00 C ATOM 228 OG1 THR A 14 27.646 19.427 34.065 1.00 0.00 O ATOM 229 CG2 THR A 14 25.961 21.036 34.459 1.00 0.00 C ATOM 0 H THR A 14 30.262 21.261 34.997 1.00 0.00 H new ATOM 0 HA THR A 14 28.089 22.044 33.202 1.00 0.00 H new ATOM 0 HB THR A 14 27.604 20.574 35.785 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.058 19.358 33.284 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.309 20.248 34.836 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.733 21.971 34.971 1.00 0.00 H new ATOM 0 HG23 THR A 14 25.799 21.160 33.388 1.00 0.00 H new ATOM 237 N LEU A 15 27.645 23.987 34.792 1.00 0.00 N ATOM 238 CA LEU A 15 27.438 25.190 35.600 1.00 0.00 C ATOM 239 C LEU A 15 26.007 25.734 35.474 1.00 0.00 C ATOM 240 O LEU A 15 25.304 25.465 34.499 1.00 0.00 O ATOM 241 CB LEU A 15 28.475 26.257 35.183 1.00 0.00 C ATOM 242 CG LEU A 15 29.703 26.338 36.100 1.00 0.00 C ATOM 243 CD1 LEU A 15 30.735 27.305 35.518 1.00 0.00 C ATOM 244 CD2 LEU A 15 29.318 26.838 37.493 1.00 0.00 C ATOM 0 H LEU A 15 27.177 24.035 33.887 1.00 0.00 H new ATOM 0 HA LEU A 15 27.576 24.931 36.650 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.808 26.045 34.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.987 27.232 35.162 1.00 0.00 H new ATOM 0 HG LEU A 15 30.121 25.334 36.174 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.601 27.353 36.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.048 26.955 34.534 1.00 0.00 H new ATOM 0 HD13 LEU A 15 30.293 28.297 35.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.207 26.885 38.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.876 27.831 37.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.595 26.154 37.938 1.00 0.00 H new ATOM 256 N GLU A 16 25.602 26.540 36.456 1.00 0.00 N ATOM 257 CA GLU A 16 24.352 27.312 36.462 1.00 0.00 C ATOM 258 C GLU A 16 24.634 28.803 36.268 1.00 0.00 C ATOM 259 O GLU A 16 25.464 29.382 36.970 1.00 0.00 O ATOM 260 CB GLU A 16 23.599 27.104 37.779 1.00 0.00 C ATOM 261 CG GLU A 16 22.864 25.762 37.815 1.00 0.00 C ATOM 262 CD GLU A 16 22.106 25.618 39.136 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.146 26.404 39.336 1.00 0.00 O ATOM 264 OE2 GLU A 16 22.490 24.728 39.927 1.00 0.00 O ATOM 0 H GLU A 16 26.154 26.681 37.302 1.00 0.00 H new ATOM 0 HA GLU A 16 23.736 26.957 35.636 1.00 0.00 H new ATOM 0 HB2 GLU A 16 24.302 27.154 38.610 1.00 0.00 H new ATOM 0 HB3 GLU A 16 22.882 27.913 37.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 22.169 25.696 36.978 1.00 0.00 H new ATOM 0 HG3 GLU A 16 23.576 24.944 37.703 1.00 0.00 H new ATOM 271 N VAL A 17 23.948 29.407 35.294 1.00 0.00 N ATOM 272 CA VAL A 17 24.054 30.819 34.894 1.00 0.00 C ATOM 273 C VAL A 17 22.691 31.306 34.375 1.00 0.00 C ATOM 274 O VAL A 17 21.751 30.520 34.252 1.00 0.00 O ATOM 275 CB VAL A 17 25.151 31.001 33.819 1.00 0.00 C ATOM 276 CG1 VAL A 17 26.515 30.483 34.289 1.00 0.00 C ATOM 277 CG2 VAL A 17 24.810 30.314 32.493 1.00 0.00 C ATOM 0 H VAL A 17 23.266 28.899 34.731 1.00 0.00 H new ATOM 0 HA VAL A 17 24.338 31.417 35.760 1.00 0.00 H new ATOM 0 HB VAL A 17 25.201 32.078 33.657 1.00 0.00 H new ATOM 0 HG11 VAL A 17 27.252 30.633 33.500 1.00 0.00 H new ATOM 0 HG12 VAL A 17 26.823 31.027 35.182 1.00 0.00 H new ATOM 0 HG13 VAL A 17 26.441 29.420 34.520 1.00 0.00 H new ATOM 0 HG21 VAL A 17 25.618 30.478 31.780 1.00 0.00 H new ATOM 0 HG22 VAL A 17 24.684 29.244 32.659 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.885 30.730 32.095 1.00 0.00 H new ATOM 287 N GLU A 18 22.576 32.582 34.016 1.00 0.00 N ATOM 288 CA GLU A 18 21.367 33.170 33.421 1.00 0.00 C ATOM 289 C GLU A 18 21.673 33.831 32.066 1.00 0.00 C ATOM 290 O GLU A 18 22.795 34.293 31.858 1.00 0.00 O ATOM 291 CB GLU A 18 20.655 34.139 34.394 1.00 0.00 C ATOM 292 CG GLU A 18 21.549 35.176 35.088 1.00 0.00 C ATOM 293 CD GLU A 18 20.743 36.265 35.811 1.00 0.00 C ATOM 294 OE1 GLU A 18 19.955 36.948 35.114 1.00 0.00 O ATOM 295 OE2 GLU A 18 20.929 36.459 37.037 1.00 0.00 O ATOM 0 H GLU A 18 23.334 33.255 34.131 1.00 0.00 H new ATOM 0 HA GLU A 18 20.670 32.354 33.231 1.00 0.00 H new ATOM 0 HB2 GLU A 18 19.878 34.669 33.843 1.00 0.00 H new ATOM 0 HB3 GLU A 18 20.155 33.549 35.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 22.194 34.670 35.806 1.00 0.00 H new ATOM 0 HG3 GLU A 18 22.199 35.642 34.348 1.00 0.00 H new ATOM 302 N PRO A 19 20.703 33.930 31.133 1.00 0.00 N ATOM 303 CA PRO A 19 20.898 34.616 29.848 1.00 0.00 C ATOM 304 C PRO A 19 21.285 36.102 29.993 1.00 0.00 C ATOM 305 O PRO A 19 21.787 36.702 29.042 1.00 0.00 O ATOM 306 CB PRO A 19 19.574 34.440 29.093 1.00 0.00 C ATOM 307 CG PRO A 19 18.542 34.230 30.200 1.00 0.00 C ATOM 308 CD PRO A 19 19.332 33.450 31.244 1.00 0.00 C ATOM 0 HA PRO A 19 21.741 34.184 29.309 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.339 35.317 28.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.611 33.587 28.415 1.00 0.00 H new ATOM 0 HG2 PRO A 19 18.172 35.176 30.595 1.00 0.00 H new ATOM 0 HG3 PRO A 19 17.675 33.672 29.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 18.936 33.622 32.245 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.275 32.377 31.058 1.00 0.00 H new ATOM 316 N SER A 20 21.076 36.679 31.178 1.00 0.00 N ATOM 317 CA SER A 20 21.425 38.053 31.556 1.00 0.00 C ATOM 318 C SER A 20 22.772 38.170 32.280 1.00 0.00 C ATOM 319 O SER A 20 23.215 39.288 32.520 1.00 0.00 O ATOM 320 CB SER A 20 20.305 38.700 32.402 1.00 0.00 C ATOM 321 OG SER A 20 19.287 37.791 32.792 1.00 0.00 O ATOM 0 H SER A 20 20.633 36.172 31.945 1.00 0.00 H new ATOM 0 HA SER A 20 21.529 38.597 30.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 20.746 39.143 33.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 19.855 39.513 31.832 1.00 0.00 H new ATOM 0 HG SER A 20 19.284 37.702 33.768 1.00 0.00 H new ATOM 327 N ASP A 21 23.446 37.059 32.606 1.00 0.00 N ATOM 328 CA ASP A 21 24.699 37.083 33.379 1.00 0.00 C ATOM 329 C ASP A 21 25.824 37.684 32.522 1.00 0.00 C ATOM 330 O ASP A 21 25.886 37.510 31.308 1.00 0.00 O ATOM 331 CB ASP A 21 25.079 35.678 33.925 1.00 0.00 C ATOM 332 CG ASP A 21 25.782 35.691 35.301 1.00 0.00 C ATOM 333 OD1 ASP A 21 25.984 36.799 35.847 1.00 0.00 O ATOM 334 OD2 ASP A 21 26.134 34.594 35.818 1.00 0.00 O ATOM 0 H ASP A 21 23.141 36.122 32.344 1.00 0.00 H new ATOM 0 HA ASP A 21 24.549 37.716 34.254 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.174 35.075 34.000 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.731 35.186 33.203 1.00 0.00 H new ATOM 339 N THR A 22 26.748 38.412 33.151 1.00 0.00 N ATOM 340 CA THR A 22 27.925 38.959 32.475 1.00 0.00 C ATOM 341 C THR A 22 28.931 37.854 32.197 1.00 0.00 C ATOM 342 O THR A 22 29.080 36.911 32.975 1.00 0.00 O ATOM 343 CB THR A 22 28.590 40.114 33.244 1.00 0.00 C ATOM 344 OG1 THR A 22 28.778 39.800 34.603 1.00 0.00 O ATOM 345 CG2 THR A 22 27.747 41.384 33.149 1.00 0.00 C ATOM 0 H THR A 22 26.701 38.639 34.144 1.00 0.00 H new ATOM 0 HA THR A 22 27.575 39.382 31.534 1.00 0.00 H new ATOM 0 HB THR A 22 29.564 40.277 32.782 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.204 40.556 35.058 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.236 42.187 33.700 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.641 41.673 32.103 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.761 41.199 33.576 1.00 0.00 H new ATOM 353 N ILE A 23 29.673 37.983 31.088 1.00 0.00 N ATOM 354 CA ILE A 23 30.716 37.016 30.706 1.00 0.00 C ATOM 355 C ILE A 23 31.681 36.737 31.870 1.00 0.00 C ATOM 356 O ILE A 23 32.064 35.588 32.082 1.00 0.00 O ATOM 357 CB ILE A 23 31.470 37.516 29.445 1.00 0.00 C ATOM 358 CG1 ILE A 23 30.574 37.537 28.183 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.736 36.692 29.157 1.00 0.00 C ATOM 360 CD1 ILE A 23 30.080 36.174 27.686 1.00 0.00 C ATOM 0 H ILE A 23 29.569 38.757 30.432 1.00 0.00 H new ATOM 0 HA ILE A 23 30.234 36.069 30.464 1.00 0.00 H new ATOM 0 HB ILE A 23 31.763 38.540 29.676 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.706 38.163 28.389 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.128 38.016 27.376 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.228 37.081 28.265 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.416 36.761 30.006 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.462 35.649 28.995 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.463 36.312 26.798 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.935 35.545 27.439 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.490 35.694 28.467 1.00 0.00 H new ATOM 372 N GLU A 24 32.039 37.770 32.643 1.00 0.00 N ATOM 373 CA GLU A 24 32.857 37.682 33.857 1.00 0.00 C ATOM 374 C GLU A 24 32.301 36.719 34.916 1.00 0.00 C ATOM 375 O GLU A 24 33.028 35.844 35.378 1.00 0.00 O ATOM 376 CB GLU A 24 33.027 39.094 34.427 1.00 0.00 C ATOM 377 CG GLU A 24 33.992 39.153 35.615 1.00 0.00 C ATOM 378 CD GLU A 24 34.199 40.617 36.022 1.00 0.00 C ATOM 379 OE1 GLU A 24 33.285 41.185 36.666 1.00 0.00 O ATOM 380 OE2 GLU A 24 35.234 41.186 35.615 1.00 0.00 O ATOM 0 H GLU A 24 31.755 38.727 32.431 1.00 0.00 H new ATOM 0 HA GLU A 24 33.822 37.259 33.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.389 39.755 33.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 32.054 39.473 34.739 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.592 38.583 36.453 1.00 0.00 H new ATOM 0 HG3 GLU A 24 34.946 38.699 35.347 1.00 0.00 H new ATOM 387 N ASN A 25 31.024 36.826 35.274 1.00 0.00 N ATOM 388 CA ASN A 25 30.406 36.010 36.321 1.00 0.00 C ATOM 389 C ASN A 25 30.338 34.523 35.924 1.00 0.00 C ATOM 390 O ASN A 25 30.622 33.626 36.720 1.00 0.00 O ATOM 391 CB ASN A 25 29.012 36.597 36.561 1.00 0.00 C ATOM 392 CG ASN A 25 28.539 36.492 37.996 1.00 0.00 C ATOM 393 OD1 ASN A 25 28.726 35.492 38.678 1.00 0.00 O ATOM 394 ND2 ASN A 25 27.947 37.544 38.509 1.00 0.00 N ATOM 0 H ASN A 25 30.380 37.489 34.842 1.00 0.00 H new ATOM 0 HA ASN A 25 31.001 36.038 37.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.015 37.646 36.266 1.00 0.00 H new ATOM 0 HB3 ASN A 25 28.298 36.086 35.915 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.639 37.533 39.481 1.00 0.00 H new ATOM 0 HD22 ASN A 25 27.794 38.374 37.936 1.00 0.00 H new ATOM 401 N VAL A 26 30.056 34.263 34.646 1.00 0.00 N ATOM 402 CA VAL A 26 30.027 32.918 34.052 1.00 0.00 C ATOM 403 C VAL A 26 31.411 32.269 34.084 1.00 0.00 C ATOM 404 O VAL A 26 31.541 31.117 34.501 1.00 0.00 O ATOM 405 CB VAL A 26 29.474 33.013 32.619 1.00 0.00 C ATOM 406 CG1 VAL A 26 29.524 31.675 31.865 1.00 0.00 C ATOM 407 CG2 VAL A 26 28.039 33.550 32.685 1.00 0.00 C ATOM 0 H VAL A 26 29.835 34.999 33.975 1.00 0.00 H new ATOM 0 HA VAL A 26 29.370 32.277 34.640 1.00 0.00 H new ATOM 0 HB VAL A 26 30.110 33.694 32.054 1.00 0.00 H new ATOM 0 HG11 VAL A 26 29.120 31.808 30.861 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.557 31.333 31.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.930 30.934 32.400 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.631 33.624 31.677 1.00 0.00 H new ATOM 0 HG22 VAL A 26 27.424 32.872 33.277 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.041 34.536 33.149 1.00 0.00 H new ATOM 417 N LYS A 27 32.463 33.015 33.718 1.00 0.00 N ATOM 418 CA LYS A 27 33.856 32.541 33.802 1.00 0.00 C ATOM 419 C LYS A 27 34.412 32.530 35.238 1.00 0.00 C ATOM 420 O LYS A 27 35.377 31.824 35.508 1.00 0.00 O ATOM 421 CB LYS A 27 34.730 33.283 32.771 1.00 0.00 C ATOM 422 CG LYS A 27 35.045 34.745 33.122 1.00 0.00 C ATOM 423 CD LYS A 27 35.853 35.505 32.053 1.00 0.00 C ATOM 424 CE LYS A 27 36.423 36.810 32.645 1.00 0.00 C ATOM 425 NZ LYS A 27 36.350 37.970 31.719 1.00 0.00 N ATOM 0 H LYS A 27 32.375 33.964 33.355 1.00 0.00 H new ATOM 0 HA LYS A 27 33.879 31.486 33.528 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.669 32.742 32.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 34.227 33.257 31.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.107 35.273 33.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.599 34.768 34.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 36.666 34.878 31.687 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.216 35.732 31.198 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.880 37.051 33.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 37.463 36.646 32.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 37.117 38.637 31.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.448 37.638 30.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.433 38.448 31.832 1.00 0.00 H new ATOM 439 N ALA A 28 33.789 33.234 36.180 1.00 0.00 N ATOM 440 CA ALA A 28 34.202 33.259 37.592 1.00 0.00 C ATOM 441 C ALA A 28 33.838 31.960 38.327 1.00 0.00 C ATOM 442 O ALA A 28 34.683 31.366 39.003 1.00 0.00 O ATOM 443 CB ALA A 28 33.589 34.480 38.288 1.00 0.00 C ATOM 0 H ALA A 28 32.972 33.813 35.987 1.00 0.00 H new ATOM 0 HA ALA A 28 35.289 33.337 37.624 1.00 0.00 H new ATOM 0 HB1 ALA A 28 33.897 34.495 39.334 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.932 35.390 37.795 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.502 34.424 38.231 1.00 0.00 H new ATOM 449 N LYS A 29 32.612 31.461 38.113 1.00 0.00 N ATOM 450 CA LYS A 29 32.082 30.232 38.733 1.00 0.00 C ATOM 451 C LYS A 29 32.912 28.978 38.383 1.00 0.00 C ATOM 452 O LYS A 29 32.806 27.962 39.063 1.00 0.00 O ATOM 453 CB LYS A 29 30.608 30.062 38.312 1.00 0.00 C ATOM 454 CG LYS A 29 29.607 31.143 38.789 1.00 0.00 C ATOM 455 CD LYS A 29 28.358 31.152 37.880 1.00 0.00 C ATOM 456 CE LYS A 29 27.101 31.832 38.456 1.00 0.00 C ATOM 457 NZ LYS A 29 27.043 33.312 38.298 1.00 0.00 N ATOM 0 H LYS A 29 31.942 31.910 37.488 1.00 0.00 H new ATOM 0 HA LYS A 29 32.151 30.337 39.816 1.00 0.00 H new ATOM 0 HB2 LYS A 29 30.570 30.023 37.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 30.261 29.096 38.678 1.00 0.00 H new ATOM 0 HG2 LYS A 29 29.314 30.948 39.820 1.00 0.00 H new ATOM 0 HG3 LYS A 29 30.084 32.123 38.774 1.00 0.00 H new ATOM 0 HD2 LYS A 29 28.618 31.649 36.945 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.107 30.120 37.633 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.223 31.398 37.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 27.035 31.595 39.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 26.275 33.694 38.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 27.948 33.729 38.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 26.865 33.548 37.301 1.00 0.00 H new ATOM 471 N ILE A 30 33.776 29.051 37.366 1.00 0.00 N ATOM 472 CA ILE A 30 34.736 28.009 36.952 1.00 0.00 C ATOM 473 C ILE A 30 35.679 27.614 38.106 1.00 0.00 C ATOM 474 O ILE A 30 36.007 26.434 38.254 1.00 0.00 O ATOM 475 CB ILE A 30 35.567 28.491 35.729 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.727 29.042 34.553 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.518 27.394 35.212 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.023 28.029 33.661 1.00 0.00 C ATOM 0 H ILE A 30 33.832 29.880 36.775 1.00 0.00 H new ATOM 0 HA ILE A 30 34.161 27.127 36.670 1.00 0.00 H new ATOM 0 HB ILE A 30 36.146 29.328 36.118 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.972 29.712 34.963 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.382 29.646 33.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.079 27.772 34.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.211 27.110 36.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.938 26.523 34.908 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.472 28.553 32.880 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.762 27.370 33.205 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.330 27.437 34.259 1.00 0.00 H new ATOM 490 N GLN A 31 36.084 28.573 38.952 1.00 0.00 N ATOM 491 CA GLN A 31 36.971 28.307 40.091 1.00 0.00 C ATOM 492 C GLN A 31 36.225 27.606 41.244 1.00 0.00 C ATOM 493 O GLN A 31 36.739 26.642 41.795 1.00 0.00 O ATOM 494 CB GLN A 31 37.629 29.615 40.565 1.00 0.00 C ATOM 495 CG GLN A 31 38.850 29.335 41.463 1.00 0.00 C ATOM 496 CD GLN A 31 39.578 30.575 41.996 1.00 0.00 C ATOM 497 OE1 GLN A 31 40.736 30.519 42.386 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.957 31.735 42.044 1.00 0.00 N ATOM 0 H GLN A 31 35.806 29.551 38.865 1.00 0.00 H new ATOM 0 HA GLN A 31 37.753 27.624 39.760 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.938 30.203 39.701 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.901 30.213 41.114 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.524 28.734 42.312 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.562 28.732 40.900 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.991 31.810 41.725 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.442 32.559 42.400 1.00 0.00 H new ATOM 507 N ASP A 32 35.003 28.052 41.562 1.00 0.00 N ATOM 508 CA ASP A 32 34.114 27.446 42.580 1.00 0.00 C ATOM 509 C ASP A 32 33.684 26.007 42.191 1.00 0.00 C ATOM 510 O ASP A 32 33.377 25.189 43.056 1.00 0.00 O ATOM 511 CB ASP A 32 32.884 28.372 42.780 1.00 0.00 C ATOM 512 CG ASP A 32 32.435 28.575 44.247 1.00 0.00 C ATOM 513 OD1 ASP A 32 32.903 29.555 44.882 1.00 0.00 O ATOM 514 OD2 ASP A 32 31.548 27.819 44.711 1.00 0.00 O ATOM 0 H ASP A 32 34.588 28.866 41.110 1.00 0.00 H new ATOM 0 HA ASP A 32 34.659 27.355 43.520 1.00 0.00 H new ATOM 0 HB2 ASP A 32 33.111 29.347 42.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 32.047 27.962 42.215 1.00 0.00 H new ATOM 519 N LYS A 33 33.693 25.676 40.884 1.00 0.00 N ATOM 520 CA LYS A 33 33.337 24.349 40.350 1.00 0.00 C ATOM 521 C LYS A 33 34.496 23.381 40.158 1.00 0.00 C ATOM 522 O LYS A 33 34.297 22.199 40.428 1.00 0.00 O ATOM 523 CB LYS A 33 32.563 24.488 39.026 1.00 0.00 C ATOM 524 CG LYS A 33 31.044 24.393 39.206 1.00 0.00 C ATOM 525 CD LYS A 33 30.528 23.058 39.761 1.00 0.00 C ATOM 526 CE LYS A 33 30.935 21.847 38.904 1.00 0.00 C ATOM 527 NZ LYS A 33 31.915 20.978 39.604 1.00 0.00 N ATOM 0 H LYS A 33 33.954 26.340 40.155 1.00 0.00 H new ATOM 0 HA LYS A 33 32.714 23.907 41.127 1.00 0.00 H new ATOM 0 HB2 LYS A 33 32.809 25.445 38.567 1.00 0.00 H new ATOM 0 HB3 LYS A 33 32.891 23.710 38.337 1.00 0.00 H new ATOM 0 HG2 LYS A 33 30.724 25.193 39.874 1.00 0.00 H new ATOM 0 HG3 LYS A 33 30.569 24.574 38.242 1.00 0.00 H new ATOM 0 HD2 LYS A 33 30.907 22.922 40.774 1.00 0.00 H new ATOM 0 HD3 LYS A 33 29.441 23.097 39.830 1.00 0.00 H new ATOM 0 HE2 LYS A 33 30.048 21.265 38.653 1.00 0.00 H new ATOM 0 HE3 LYS A 33 31.364 22.195 37.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 32.291 20.273 38.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 32.695 21.560 39.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 31.445 20.492 40.394 1.00 0.00 H new ATOM 541 N GLU A 34 35.612 23.819 39.582 1.00 0.00 N ATOM 542 CA GLU A 34 36.772 22.962 39.288 1.00 0.00 C ATOM 543 C GLU A 34 37.976 23.366 40.157 1.00 0.00 C ATOM 544 O GLU A 34 38.457 22.578 40.969 1.00 0.00 O ATOM 545 CB GLU A 34 37.086 23.024 37.776 1.00 0.00 C ATOM 546 CG GLU A 34 37.959 21.871 37.245 1.00 0.00 C ATOM 547 CD GLU A 34 37.223 20.528 37.034 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.533 20.049 37.964 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.402 19.937 35.944 1.00 0.00 O ATOM 0 H GLU A 34 35.744 24.790 39.300 1.00 0.00 H new ATOM 0 HA GLU A 34 36.541 21.927 39.538 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.146 23.031 37.225 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.588 23.968 37.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.400 22.178 36.296 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.782 21.710 37.941 1.00 0.00 H new ATOM 556 N GLY A 35 38.437 24.615 40.006 1.00 0.00 N ATOM 557 CA GLY A 35 39.564 25.170 40.770 1.00 0.00 C ATOM 558 C GLY A 35 40.513 26.082 39.987 1.00 0.00 C ATOM 559 O GLY A 35 41.535 26.504 40.531 1.00 0.00 O ATOM 0 H GLY A 35 38.034 25.276 39.342 1.00 0.00 H new ATOM 0 HA2 GLY A 35 39.165 25.731 41.615 1.00 0.00 H new ATOM 0 HA3 GLY A 35 40.142 24.343 41.182 1.00 0.00 H new ATOM 563 N ILE A 36 40.214 26.388 38.716 1.00 0.00 N ATOM 564 CA ILE A 36 40.997 27.321 37.891 1.00 0.00 C ATOM 565 C ILE A 36 40.228 28.639 37.683 1.00 0.00 C ATOM 566 O ILE A 36 39.125 28.609 37.134 1.00 0.00 O ATOM 567 CB ILE A 36 41.374 26.686 36.537 1.00 0.00 C ATOM 568 CG1 ILE A 36 42.018 25.286 36.692 1.00 0.00 C ATOM 569 CG2 ILE A 36 42.360 27.601 35.783 1.00 0.00 C ATOM 570 CD1 ILE A 36 41.032 24.113 36.601 1.00 0.00 C ATOM 0 H ILE A 36 39.413 25.990 38.226 1.00 0.00 H new ATOM 0 HA ILE A 36 41.922 27.544 38.422 1.00 0.00 H new ATOM 0 HB ILE A 36 40.446 26.570 35.977 1.00 0.00 H new ATOM 0 HG12 ILE A 36 42.779 25.164 35.921 1.00 0.00 H new ATOM 0 HG13 ILE A 36 42.528 25.240 37.654 1.00 0.00 H new ATOM 0 HG21 ILE A 36 42.621 27.145 34.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 41.895 28.571 35.607 1.00 0.00 H new ATOM 0 HG23 ILE A 36 43.262 27.734 36.380 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.572 23.174 36.721 1.00 0.00 H new ATOM 0 HD12 ILE A 36 40.284 24.204 37.389 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.539 24.127 35.629 1.00 0.00 H new ATOM 582 N PRO A 37 40.789 29.804 38.058 1.00 0.00 N ATOM 583 CA PRO A 37 40.171 31.105 37.815 1.00 0.00 C ATOM 584 C PRO A 37 40.216 31.532 36.334 1.00 0.00 C ATOM 585 O PRO A 37 41.127 31.135 35.600 1.00 0.00 O ATOM 586 CB PRO A 37 40.948 32.090 38.696 1.00 0.00 C ATOM 587 CG PRO A 37 42.341 31.467 38.725 1.00 0.00 C ATOM 588 CD PRO A 37 42.041 29.975 38.780 1.00 0.00 C ATOM 0 HA PRO A 37 39.109 31.073 38.058 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.960 33.094 38.272 1.00 0.00 H new ATOM 0 HB3 PRO A 37 40.517 32.171 39.694 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.921 31.731 37.840 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.914 31.797 39.592 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.842 29.396 38.320 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.950 29.630 39.810 1.00 0.00 H new ATOM 596 N PRO A 38 39.300 32.420 35.906 1.00 0.00 N ATOM 597 CA PRO A 38 39.206 32.926 34.527 1.00 0.00 C ATOM 598 C PRO A 38 40.369 33.823 34.064 1.00 0.00 C ATOM 599 O PRO A 38 40.343 34.310 32.940 1.00 0.00 O ATOM 600 CB PRO A 38 37.916 33.733 34.513 1.00 0.00 C ATOM 601 CG PRO A 38 37.752 34.226 35.949 1.00 0.00 C ATOM 602 CD PRO A 38 38.265 33.030 36.740 1.00 0.00 C ATOM 0 HA PRO A 38 39.237 32.082 33.838 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.978 34.566 33.813 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.069 33.120 34.205 1.00 0.00 H new ATOM 0 HG2 PRO A 38 38.335 35.127 36.143 1.00 0.00 H new ATOM 0 HG3 PRO A 38 36.714 34.460 36.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 38.671 33.342 37.702 1.00 0.00 H new ATOM 0 HD3 PRO A 38 37.461 32.323 36.947 1.00 0.00 H new ATOM 610 N ASP A 39 41.358 34.091 34.918 1.00 0.00 N ATOM 611 CA ASP A 39 42.583 34.814 34.574 1.00 0.00 C ATOM 612 C ASP A 39 43.688 33.858 34.043 1.00 0.00 C ATOM 613 O ASP A 39 44.510 34.241 33.211 1.00 0.00 O ATOM 614 CB ASP A 39 43.035 35.658 35.795 1.00 0.00 C ATOM 615 CG ASP A 39 43.359 37.124 35.442 1.00 0.00 C ATOM 616 OD1 ASP A 39 44.069 37.346 34.432 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.885 38.039 36.162 1.00 0.00 O ATOM 0 H ASP A 39 41.328 33.803 35.896 1.00 0.00 H new ATOM 0 HA ASP A 39 42.383 35.499 33.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.250 35.639 36.551 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.916 35.196 36.240 1.00 0.00 H new ATOM 622 N GLN A 40 43.679 32.577 34.485 1.00 0.00 N ATOM 623 CA GLN A 40 44.556 31.514 33.962 1.00 0.00 C ATOM 624 C GLN A 40 44.048 30.876 32.655 1.00 0.00 C ATOM 625 O GLN A 40 44.858 30.453 31.820 1.00 0.00 O ATOM 626 CB GLN A 40 44.759 30.400 35.012 1.00 0.00 C ATOM 627 CG GLN A 40 45.926 30.656 35.989 1.00 0.00 C ATOM 628 CD GLN A 40 46.857 29.449 36.174 1.00 0.00 C ATOM 629 OE1 GLN A 40 46.475 28.288 36.130 1.00 0.00 O ATOM 630 NE2 GLN A 40 48.137 29.673 36.383 1.00 0.00 N ATOM 0 H GLN A 40 43.053 32.254 35.223 1.00 0.00 H new ATOM 0 HA GLN A 40 45.502 32.008 33.740 1.00 0.00 H new ATOM 0 HB2 GLN A 40 43.839 30.284 35.585 1.00 0.00 H new ATOM 0 HB3 GLN A 40 44.933 29.456 34.495 1.00 0.00 H new ATOM 0 HG2 GLN A 40 46.511 31.502 35.628 1.00 0.00 H new ATOM 0 HG3 GLN A 40 45.519 30.941 36.959 1.00 0.00 H new ATOM 0 HE21 GLN A 40 48.487 30.630 36.425 1.00 0.00 H new ATOM 0 HE22 GLN A 40 48.779 28.889 36.503 1.00 0.00 H new ATOM 639 N ASN A 41 42.729 30.772 32.466 1.00 0.00 N ATOM 640 CA ASN A 41 42.131 30.336 31.213 1.00 0.00 C ATOM 641 C ASN A 41 41.587 31.514 30.377 1.00 0.00 C ATOM 642 O ASN A 41 41.721 32.671 30.763 1.00 0.00 O ATOM 643 CB ASN A 41 41.098 29.258 31.540 1.00 0.00 C ATOM 644 CG ASN A 41 39.906 29.768 32.335 1.00 0.00 C ATOM 645 OD1 ASN A 41 39.097 30.540 31.856 1.00 0.00 O ATOM 646 ND2 ASN A 41 39.741 29.334 33.563 1.00 0.00 N ATOM 0 H ASN A 41 42.045 30.992 33.190 1.00 0.00 H new ATOM 0 HA ASN A 41 42.886 29.899 30.560 1.00 0.00 H new ATOM 0 HB2 ASN A 41 40.740 28.817 30.609 1.00 0.00 H new ATOM 0 HB3 ASN A 41 41.584 28.462 32.103 1.00 0.00 H new ATOM 0 HD21 ASN A 41 38.938 29.644 34.110 1.00 0.00 H new ATOM 0 HD22 ASN A 41 40.416 28.687 33.970 1.00 0.00 H new ATOM 653 N ARG A 42 41.023 31.236 29.213 1.00 0.00 N ATOM 654 CA ARG A 42 40.260 32.177 28.359 1.00 0.00 C ATOM 655 C ARG A 42 38.945 31.536 27.921 1.00 0.00 C ATOM 656 O ARG A 42 38.740 30.331 28.103 1.00 0.00 O ATOM 657 CB ARG A 42 41.077 32.637 27.134 1.00 0.00 C ATOM 658 CG ARG A 42 42.529 33.051 27.414 1.00 0.00 C ATOM 659 CD ARG A 42 42.654 34.299 28.305 1.00 0.00 C ATOM 660 NE ARG A 42 42.673 35.579 27.564 1.00 0.00 N ATOM 661 CZ ARG A 42 42.877 36.763 28.125 1.00 0.00 C ATOM 662 NH1 ARG A 42 43.038 36.894 29.415 1.00 0.00 N ATOM 663 NH2 ARG A 42 42.931 37.851 27.411 1.00 0.00 N ATOM 0 H ARG A 42 41.079 30.304 28.803 1.00 0.00 H new ATOM 0 HA ARG A 42 40.045 33.066 28.952 1.00 0.00 H new ATOM 0 HB2 ARG A 42 41.084 31.829 26.402 1.00 0.00 H new ATOM 0 HB3 ARG A 42 40.562 33.480 26.673 1.00 0.00 H new ATOM 0 HG2 ARG A 42 43.049 32.221 27.892 1.00 0.00 H new ATOM 0 HG3 ARG A 42 43.033 33.240 26.466 1.00 0.00 H new ATOM 0 HD2 ARG A 42 41.822 34.313 29.009 1.00 0.00 H new ATOM 0 HD3 ARG A 42 43.568 34.220 28.894 1.00 0.00 H new ATOM 0 HE ARG A 42 42.519 35.549 26.556 1.00 0.00 H new ATOM 0 HH11 ARG A 42 43.008 36.072 30.019 1.00 0.00 H new ATOM 0 HH12 ARG A 42 43.193 37.818 29.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 42.815 37.803 26.399 1.00 0.00 H new ATOM 0 HH22 ARG A 42 43.089 38.751 27.864 1.00 0.00 H new ATOM 677 N LEU A 43 38.090 32.331 27.279 1.00 0.00 N ATOM 678 CA LEU A 43 36.772 31.916 26.803 1.00 0.00 C ATOM 679 C LEU A 43 36.707 32.002 25.275 1.00 0.00 C ATOM 680 O LEU A 43 37.087 33.018 24.694 1.00 0.00 O ATOM 681 CB LEU A 43 35.700 32.827 27.436 1.00 0.00 C ATOM 682 CG LEU A 43 34.890 32.212 28.587 1.00 0.00 C ATOM 683 CD1 LEU A 43 35.757 31.792 29.771 1.00 0.00 C ATOM 684 CD2 LEU A 43 33.864 33.238 29.064 1.00 0.00 C ATOM 0 H LEU A 43 38.301 33.307 27.070 1.00 0.00 H new ATOM 0 HA LEU A 43 36.589 30.882 27.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 36.189 33.729 27.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 35.006 33.136 26.654 1.00 0.00 H new ATOM 0 HG LEU A 43 34.411 31.311 28.204 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.126 31.365 30.551 1.00 0.00 H new ATOM 0 HD12 LEU A 43 36.483 31.048 29.444 1.00 0.00 H new ATOM 0 HD13 LEU A 43 36.281 32.663 30.165 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.280 32.816 29.882 1.00 0.00 H new ATOM 0 HD22 LEU A 43 34.379 34.134 29.411 1.00 0.00 H new ATOM 0 HD23 LEU A 43 33.199 33.498 28.240 1.00 0.00 H new ATOM 696 N ILE A 44 36.169 30.962 24.638 1.00 0.00 N ATOM 697 CA ILE A 44 35.896 30.931 23.195 1.00 0.00 C ATOM 698 C ILE A 44 34.497 30.353 22.934 1.00 0.00 C ATOM 699 O ILE A 44 34.041 29.446 23.630 1.00 0.00 O ATOM 700 CB ILE A 44 37.015 30.203 22.390 1.00 0.00 C ATOM 701 CG1 ILE A 44 38.421 30.644 22.863 1.00 0.00 C ATOM 702 CG2 ILE A 44 36.857 30.408 20.869 1.00 0.00 C ATOM 703 CD1 ILE A 44 39.605 30.054 22.094 1.00 0.00 C ATOM 0 H ILE A 44 35.905 30.100 25.116 1.00 0.00 H new ATOM 0 HA ILE A 44 35.905 31.957 22.826 1.00 0.00 H new ATOM 0 HB ILE A 44 36.909 29.136 22.587 1.00 0.00 H new ATOM 0 HG12 ILE A 44 38.479 31.731 22.801 1.00 0.00 H new ATOM 0 HG13 ILE A 44 38.528 30.379 23.915 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.657 29.884 20.346 1.00 0.00 H new ATOM 0 HG22 ILE A 44 35.894 30.013 20.547 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.908 31.472 20.638 1.00 0.00 H new ATOM 0 HD11 ILE A 44 40.537 30.434 22.513 1.00 0.00 H new ATOM 0 HD12 ILE A 44 39.587 28.967 22.175 1.00 0.00 H new ATOM 0 HD13 ILE A 44 39.536 30.340 21.045 1.00 0.00 H new ATOM 715 N PHE A 45 33.819 30.873 21.914 1.00 0.00 N ATOM 716 CA PHE A 45 32.578 30.345 21.368 1.00 0.00 C ATOM 717 C PHE A 45 32.570 30.589 19.858 1.00 0.00 C ATOM 718 O PHE A 45 32.971 31.660 19.421 1.00 0.00 O ATOM 719 CB PHE A 45 31.392 31.030 22.054 1.00 0.00 C ATOM 720 CG PHE A 45 30.132 30.199 22.074 1.00 0.00 C ATOM 721 CD1 PHE A 45 30.107 29.000 22.811 1.00 0.00 C ATOM 722 CD2 PHE A 45 28.981 30.632 21.395 1.00 0.00 C ATOM 723 CE1 PHE A 45 28.932 28.235 22.868 1.00 0.00 C ATOM 724 CE2 PHE A 45 27.805 29.869 21.456 1.00 0.00 C ATOM 725 CZ PHE A 45 27.777 28.670 22.193 1.00 0.00 C ATOM 0 H PHE A 45 34.136 31.711 21.426 1.00 0.00 H new ATOM 0 HA PHE A 45 32.497 29.273 21.549 1.00 0.00 H new ATOM 0 HB2 PHE A 45 31.670 31.275 23.079 1.00 0.00 H new ATOM 0 HB3 PHE A 45 31.186 31.972 21.546 1.00 0.00 H new ATOM 0 HD1 PHE A 45 30.993 28.669 23.333 1.00 0.00 H new ATOM 0 HD2 PHE A 45 29.001 31.550 20.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 28.914 27.313 23.430 1.00 0.00 H new ATOM 0 HE2 PHE A 45 26.919 30.202 20.936 1.00 0.00 H new ATOM 0 HZ PHE A 45 26.870 28.085 22.240 1.00 0.00 H new ATOM 735 N ALA A 46 32.169 29.599 19.062 1.00 0.00 N ATOM 736 CA ALA A 46 32.040 29.700 17.595 1.00 0.00 C ATOM 737 C ALA A 46 33.228 30.409 16.877 1.00 0.00 C ATOM 738 O ALA A 46 33.036 31.321 16.074 1.00 0.00 O ATOM 739 CB ALA A 46 30.669 30.318 17.277 1.00 0.00 C ATOM 0 H ALA A 46 31.917 28.678 19.421 1.00 0.00 H new ATOM 0 HA ALA A 46 32.094 28.694 17.179 1.00 0.00 H new ATOM 0 HB1 ALA A 46 30.550 30.403 16.197 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.881 29.682 17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 30.603 31.308 17.728 1.00 0.00 H new ATOM 745 N GLY A 47 34.476 30.048 17.216 1.00 0.00 N ATOM 746 CA GLY A 47 35.690 30.657 16.637 1.00 0.00 C ATOM 747 C GLY A 47 36.000 32.098 17.087 1.00 0.00 C ATOM 748 O GLY A 47 36.894 32.741 16.528 1.00 0.00 O ATOM 0 H GLY A 47 34.675 29.321 17.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 36.544 30.027 16.887 1.00 0.00 H new ATOM 0 HA3 GLY A 47 35.595 30.648 15.551 1.00 0.00 H new ATOM 752 N LYS A 48 35.296 32.611 18.105 1.00 0.00 N ATOM 753 CA LYS A 48 35.387 33.979 18.644 1.00 0.00 C ATOM 754 C LYS A 48 35.758 33.934 20.125 1.00 0.00 C ATOM 755 O LYS A 48 35.100 33.284 20.931 1.00 0.00 O ATOM 756 CB LYS A 48 34.043 34.712 18.432 1.00 0.00 C ATOM 757 CG LYS A 48 33.998 35.599 17.176 1.00 0.00 C ATOM 758 CD LYS A 48 34.307 37.086 17.439 1.00 0.00 C ATOM 759 CE LYS A 48 35.759 37.358 17.854 1.00 0.00 C ATOM 760 NZ LYS A 48 36.040 38.813 17.961 1.00 0.00 N ATOM 0 H LYS A 48 34.606 32.051 18.606 1.00 0.00 H new ATOM 0 HA LYS A 48 36.167 34.527 18.115 1.00 0.00 H new ATOM 0 HB2 LYS A 48 33.245 33.972 18.369 1.00 0.00 H new ATOM 0 HB3 LYS A 48 33.837 35.329 19.306 1.00 0.00 H new ATOM 0 HG2 LYS A 48 34.712 35.215 16.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 33.009 35.520 16.725 1.00 0.00 H new ATOM 0 HD2 LYS A 48 34.084 37.658 16.538 1.00 0.00 H new ATOM 0 HD3 LYS A 48 33.642 37.452 18.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 35.959 36.878 18.812 1.00 0.00 H new ATOM 0 HE3 LYS A 48 36.435 36.910 17.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.031 38.955 18.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 35.874 39.267 17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 35.413 39.236 18.674 1.00 0.00 H new ATOM 774 N GLN A 49 36.818 34.652 20.483 1.00 0.00 N ATOM 775 CA GLN A 49 37.229 34.855 21.875 1.00 0.00 C ATOM 776 C GLN A 49 36.260 35.856 22.541 1.00 0.00 C ATOM 777 O GLN A 49 36.087 36.955 22.014 1.00 0.00 O ATOM 778 CB GLN A 49 38.701 35.326 21.896 1.00 0.00 C ATOM 779 CG GLN A 49 39.676 34.238 21.387 1.00 0.00 C ATOM 780 CD GLN A 49 41.088 34.750 21.086 1.00 0.00 C ATOM 781 OE1 GLN A 49 41.931 34.912 21.954 1.00 0.00 O ATOM 782 NE2 GLN A 49 41.428 34.985 19.836 1.00 0.00 N ATOM 0 H GLN A 49 37.426 35.117 19.809 1.00 0.00 H new ATOM 0 HA GLN A 49 37.179 33.930 22.449 1.00 0.00 H new ATOM 0 HB2 GLN A 49 38.803 36.219 21.279 1.00 0.00 H new ATOM 0 HB3 GLN A 49 38.975 35.608 22.913 1.00 0.00 H new ATOM 0 HG2 GLN A 49 39.740 33.446 22.133 1.00 0.00 H new ATOM 0 HG3 GLN A 49 39.263 33.791 20.483 1.00 0.00 H new ATOM 0 HE21 GLN A 49 40.745 34.858 19.089 1.00 0.00 H new ATOM 0 HE22 GLN A 49 42.375 35.294 19.614 1.00 0.00 H new ATOM 791 N LEU A 50 35.574 35.457 23.622 1.00 0.00 N ATOM 792 CA LEU A 50 34.579 36.265 24.345 1.00 0.00 C ATOM 793 C LEU A 50 35.247 37.301 25.276 1.00 0.00 C ATOM 794 O LEU A 50 36.413 37.147 25.632 1.00 0.00 O ATOM 795 CB LEU A 50 33.612 35.366 25.152 1.00 0.00 C ATOM 796 CG LEU A 50 32.980 34.160 24.421 1.00 0.00 C ATOM 797 CD1 LEU A 50 32.110 33.350 25.385 1.00 0.00 C ATOM 798 CD2 LEU A 50 32.080 34.602 23.274 1.00 0.00 C ATOM 0 H LEU A 50 35.700 34.531 24.032 1.00 0.00 H new ATOM 0 HA LEU A 50 34.006 36.810 23.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 34.151 34.988 26.021 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.803 35.993 25.527 1.00 0.00 H new ATOM 0 HG LEU A 50 33.807 33.564 24.035 1.00 0.00 H new ATOM 0 HD11 LEU A 50 31.672 32.504 24.856 1.00 0.00 H new ATOM 0 HD12 LEU A 50 32.723 32.985 26.209 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.315 33.984 25.778 1.00 0.00 H new ATOM 0 HD21 LEU A 50 31.655 33.725 22.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 31.275 35.226 23.663 1.00 0.00 H new ATOM 0 HD23 LEU A 50 32.665 35.172 22.552 1.00 0.00 H new ATOM 810 N GLU A 51 34.505 38.326 25.716 1.00 0.00 N ATOM 811 CA GLU A 51 35.071 39.459 26.472 1.00 0.00 C ATOM 812 C GLU A 51 34.085 40.063 27.486 1.00 0.00 C ATOM 813 O GLU A 51 32.863 39.979 27.333 1.00 0.00 O ATOM 814 CB GLU A 51 35.572 40.543 25.491 1.00 0.00 C ATOM 815 CG GLU A 51 36.944 41.129 25.890 1.00 0.00 C ATOM 816 CD GLU A 51 37.698 41.872 24.761 1.00 0.00 C ATOM 817 OE1 GLU A 51 37.162 41.999 23.634 1.00 0.00 O ATOM 818 OE2 GLU A 51 38.858 42.285 25.018 1.00 0.00 O ATOM 0 H GLU A 51 33.499 38.396 25.561 1.00 0.00 H new ATOM 0 HA GLU A 51 35.907 39.070 27.054 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.642 40.116 24.491 1.00 0.00 H new ATOM 0 HB3 GLU A 51 34.839 41.348 25.443 1.00 0.00 H new ATOM 0 HG2 GLU A 51 36.799 41.818 26.722 1.00 0.00 H new ATOM 0 HG3 GLU A 51 37.575 40.318 26.254 1.00 0.00 H new ATOM 825 N ASP A 52 34.636 40.694 28.520 1.00 0.00 N ATOM 826 CA ASP A 52 33.930 41.332 29.644 1.00 0.00 C ATOM 827 C ASP A 52 33.360 42.705 29.253 1.00 0.00 C ATOM 828 O ASP A 52 33.835 43.766 29.645 1.00 0.00 O ATOM 829 CB ASP A 52 34.737 41.311 30.968 1.00 0.00 C ATOM 830 CG ASP A 52 36.267 41.312 30.857 1.00 0.00 C ATOM 831 OD1 ASP A 52 36.773 40.248 30.415 1.00 0.00 O ATOM 832 OD2 ASP A 52 36.930 42.260 31.331 1.00 0.00 O ATOM 0 H ASP A 52 35.648 40.783 28.607 1.00 0.00 H new ATOM 0 HA ASP A 52 33.061 40.715 29.870 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.441 42.178 31.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.440 40.426 31.531 1.00 0.00 H new ATOM 837 N GLY A 53 32.300 42.651 28.446 1.00 0.00 N ATOM 838 CA GLY A 53 31.491 43.813 28.066 1.00 0.00 C ATOM 839 C GLY A 53 30.095 43.472 27.533 1.00 0.00 C ATOM 840 O GLY A 53 29.224 44.336 27.542 1.00 0.00 O ATOM 0 H GLY A 53 31.972 41.780 28.029 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.385 44.465 28.933 1.00 0.00 H new ATOM 0 HA3 GLY A 53 32.028 44.380 27.305 1.00 0.00 H new ATOM 844 N ARG A 54 29.850 42.226 27.092 1.00 0.00 N ATOM 845 CA ARG A 54 28.492 41.748 26.710 1.00 0.00 C ATOM 846 C ARG A 54 27.906 40.721 27.708 1.00 0.00 C ATOM 847 O ARG A 54 28.588 40.303 28.644 1.00 0.00 O ATOM 848 CB ARG A 54 28.505 41.213 25.265 1.00 0.00 C ATOM 849 CG ARG A 54 28.943 42.210 24.163 1.00 0.00 C ATOM 850 CD ARG A 54 27.822 42.450 23.138 1.00 0.00 C ATOM 851 NE ARG A 54 28.296 43.018 21.856 1.00 0.00 N ATOM 852 CZ ARG A 54 27.608 42.963 20.722 1.00 0.00 C ATOM 853 NH1 ARG A 54 26.386 42.537 20.662 1.00 0.00 N ATOM 854 NH2 ARG A 54 28.130 43.322 19.585 1.00 0.00 N ATOM 0 H ARG A 54 30.577 41.519 26.987 1.00 0.00 H new ATOM 0 HA ARG A 54 27.820 42.605 26.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 29.169 40.349 25.227 1.00 0.00 H new ATOM 0 HB3 ARG A 54 27.504 40.856 25.024 1.00 0.00 H new ATOM 0 HG2 ARG A 54 29.227 43.158 24.621 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.826 41.825 23.653 1.00 0.00 H new ATOM 0 HD2 ARG A 54 27.315 41.506 22.941 1.00 0.00 H new ATOM 0 HD3 ARG A 54 27.084 43.124 23.572 1.00 0.00 H new ATOM 0 HE ARG A 54 29.206 43.479 21.843 1.00 0.00 H new ATOM 0 HH11 ARG A 54 25.912 42.226 21.510 1.00 0.00 H new ATOM 0 HH12 ARG A 54 25.898 42.513 19.767 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.093 43.657 19.549 1.00 0.00 H new ATOM 0 HH22 ARG A 54 27.576 43.269 18.730 1.00 0.00 H new ATOM 868 N THR A 55 26.655 40.298 27.498 1.00 0.00 N ATOM 869 CA THR A 55 25.981 39.199 28.235 1.00 0.00 C ATOM 870 C THR A 55 25.815 37.936 27.371 1.00 0.00 C ATOM 871 O THR A 55 26.124 37.936 26.177 1.00 0.00 O ATOM 872 CB THR A 55 24.606 39.626 28.788 1.00 0.00 C ATOM 873 OG1 THR A 55 23.714 39.866 27.726 1.00 0.00 O ATOM 874 CG2 THR A 55 24.647 40.888 29.646 1.00 0.00 C ATOM 0 H THR A 55 26.055 40.719 26.789 1.00 0.00 H new ATOM 0 HA THR A 55 26.636 38.963 29.074 1.00 0.00 H new ATOM 0 HB THR A 55 24.280 38.800 29.420 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.843 40.135 28.085 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.642 41.122 29.997 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.301 40.725 30.502 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.027 41.719 29.052 1.00 0.00 H new ATOM 882 N LEU A 56 25.316 36.843 27.961 1.00 0.00 N ATOM 883 CA LEU A 56 25.113 35.557 27.268 1.00 0.00 C ATOM 884 C LEU A 56 24.072 35.613 26.140 1.00 0.00 C ATOM 885 O LEU A 56 24.330 35.115 25.044 1.00 0.00 O ATOM 886 CB LEU A 56 24.680 34.471 28.264 1.00 0.00 C ATOM 887 CG LEU A 56 25.665 34.128 29.390 1.00 0.00 C ATOM 888 CD1 LEU A 56 25.202 32.834 30.058 1.00 0.00 C ATOM 889 CD2 LEU A 56 27.081 33.908 28.848 1.00 0.00 C ATOM 0 H LEU A 56 25.038 36.822 28.942 1.00 0.00 H new ATOM 0 HA LEU A 56 26.077 35.321 26.818 1.00 0.00 H new ATOM 0 HB2 LEU A 56 23.740 34.784 28.719 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.475 33.559 27.703 1.00 0.00 H new ATOM 0 HG LEU A 56 25.687 34.959 30.095 1.00 0.00 H new ATOM 0 HD11 LEU A 56 25.890 32.573 30.862 1.00 0.00 H new ATOM 0 HD12 LEU A 56 24.202 32.974 30.468 1.00 0.00 H new ATOM 0 HD13 LEU A 56 25.184 32.031 29.321 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.753 33.667 29.672 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.073 33.085 28.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.426 34.815 28.352 1.00 0.00 H new ATOM 901 N SER A 57 22.911 36.221 26.390 1.00 0.00 N ATOM 902 CA SER A 57 21.851 36.422 25.390 1.00 0.00 C ATOM 903 C SER A 57 22.337 37.280 24.216 1.00 0.00 C ATOM 904 O SER A 57 21.955 37.016 23.064 1.00 0.00 O ATOM 905 CB SER A 57 20.643 37.073 26.082 1.00 0.00 C ATOM 906 OG SER A 57 19.540 37.297 25.223 1.00 0.00 O ATOM 0 H SER A 57 22.673 36.596 27.308 1.00 0.00 H new ATOM 0 HA SER A 57 21.564 35.456 24.974 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.324 36.437 26.908 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.954 38.024 26.514 1.00 0.00 H new ATOM 0 HG SER A 57 18.810 37.711 25.729 1.00 0.00 H new ATOM 912 N ASP A 58 23.244 38.217 24.492 1.00 0.00 N ATOM 913 CA ASP A 58 23.900 39.037 23.473 1.00 0.00 C ATOM 914 C ASP A 58 24.878 38.251 22.557 1.00 0.00 C ATOM 915 O ASP A 58 25.004 38.531 21.362 1.00 0.00 O ATOM 916 CB ASP A 58 24.631 40.182 24.192 1.00 0.00 C ATOM 917 CG ASP A 58 24.143 41.556 23.729 1.00 0.00 C ATOM 918 OD1 ASP A 58 23.113 42.048 24.245 1.00 0.00 O ATOM 919 OD2 ASP A 58 24.831 42.140 22.866 1.00 0.00 O ATOM 0 H ASP A 58 23.548 38.431 25.442 1.00 0.00 H new ATOM 0 HA ASP A 58 23.130 39.414 22.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.482 40.088 25.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.703 40.098 24.010 1.00 0.00 H new ATOM 924 N TYR A 59 25.551 37.229 23.105 1.00 0.00 N ATOM 925 CA TYR A 59 26.365 36.261 22.352 1.00 0.00 C ATOM 926 C TYR A 59 25.559 35.088 21.748 1.00 0.00 C ATOM 927 O TYR A 59 26.136 34.236 21.078 1.00 0.00 O ATOM 928 CB TYR A 59 27.543 35.785 23.227 1.00 0.00 C ATOM 929 CG TYR A 59 28.797 36.632 23.097 1.00 0.00 C ATOM 930 CD1 TYR A 59 29.587 36.510 21.936 1.00 0.00 C ATOM 931 CD2 TYR A 59 29.199 37.496 24.134 1.00 0.00 C ATOM 932 CE1 TYR A 59 30.765 37.269 21.800 1.00 0.00 C ATOM 933 CE2 TYR A 59 30.401 38.225 24.019 1.00 0.00 C ATOM 934 CZ TYR A 59 31.176 38.125 22.843 1.00 0.00 C ATOM 935 OH TYR A 59 32.328 38.836 22.710 1.00 0.00 O ATOM 0 H TYR A 59 25.545 37.047 24.109 1.00 0.00 H new ATOM 0 HA TYR A 59 26.759 36.781 21.479 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.227 35.781 24.270 1.00 0.00 H new ATOM 0 HB3 TYR A 59 27.784 34.755 22.963 1.00 0.00 H new ATOM 0 HD1 TYR A 59 29.288 35.833 21.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.587 37.600 25.018 1.00 0.00 H new ATOM 0 HE1 TYR A 59 31.354 37.196 20.897 1.00 0.00 H new ATOM 0 HE2 TYR A 59 30.728 38.859 24.830 1.00 0.00 H new ATOM 0 HH TYR A 59 32.472 39.379 23.513 1.00 0.00 H new ATOM 945 N ASN A 60 24.235 35.029 21.991 1.00 0.00 N ATOM 946 CA ASN A 60 23.334 33.940 21.559 1.00 0.00 C ATOM 947 C ASN A 60 23.674 32.562 22.163 1.00 0.00 C ATOM 948 O ASN A 60 23.455 31.520 21.564 1.00 0.00 O ATOM 949 CB ASN A 60 23.154 33.986 20.021 1.00 0.00 C ATOM 950 CG ASN A 60 21.735 33.693 19.565 1.00 0.00 C ATOM 951 OD1 ASN A 60 20.922 33.096 20.255 1.00 0.00 O ATOM 952 ND2 ASN A 60 21.360 34.170 18.402 1.00 0.00 N ATOM 0 H ASN A 60 23.747 35.760 22.509 1.00 0.00 H new ATOM 0 HA ASN A 60 22.347 34.115 21.986 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.447 34.971 19.659 1.00 0.00 H new ATOM 0 HB3 ASN A 60 23.830 33.264 19.563 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.400 34.041 18.083 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.029 34.670 17.816 1.00 0.00 H new ATOM 959 N ILE A 61 24.195 32.542 23.393 1.00 0.00 N ATOM 960 CA ILE A 61 24.570 31.315 24.122 1.00 0.00 C ATOM 961 C ILE A 61 23.305 30.754 24.766 1.00 0.00 C ATOM 962 O ILE A 61 22.845 31.222 25.807 1.00 0.00 O ATOM 963 CB ILE A 61 25.727 31.567 25.127 1.00 0.00 C ATOM 964 CG1 ILE A 61 26.983 32.085 24.387 1.00 0.00 C ATOM 965 CG2 ILE A 61 26.059 30.255 25.871 1.00 0.00 C ATOM 966 CD1 ILE A 61 28.103 32.601 25.297 1.00 0.00 C ATOM 0 H ILE A 61 24.374 33.393 23.926 1.00 0.00 H new ATOM 0 HA ILE A 61 24.973 30.569 23.437 1.00 0.00 H new ATOM 0 HB ILE A 61 25.412 32.323 25.846 1.00 0.00 H new ATOM 0 HG12 ILE A 61 27.380 31.280 23.768 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.684 32.888 23.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.871 30.432 26.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.178 29.910 26.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.363 29.495 25.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 28.939 32.942 24.687 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.730 33.430 25.898 1.00 0.00 H new ATOM 0 HD13 ILE A 61 28.437 31.798 25.954 1.00 0.00 H new ATOM 978 N GLN A 62 22.733 29.746 24.126 1.00 0.00 N ATOM 979 CA GLN A 62 21.560 28.992 24.575 1.00 0.00 C ATOM 980 C GLN A 62 21.934 27.908 25.604 1.00 0.00 C ATOM 981 O GLN A 62 23.106 27.537 25.728 1.00 0.00 O ATOM 982 CB GLN A 62 20.820 28.445 23.336 1.00 0.00 C ATOM 983 CG GLN A 62 21.653 27.495 22.449 1.00 0.00 C ATOM 984 CD GLN A 62 21.397 27.698 20.956 1.00 0.00 C ATOM 985 OE1 GLN A 62 20.715 26.922 20.307 1.00 0.00 O ATOM 986 NE2 GLN A 62 21.921 28.744 20.347 1.00 0.00 N ATOM 0 H GLN A 62 23.089 29.410 23.231 1.00 0.00 H new ATOM 0 HA GLN A 62 20.876 29.651 25.110 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.926 27.918 23.668 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.487 29.287 22.729 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.712 27.649 22.655 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.423 26.463 22.715 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.494 29.405 20.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.753 28.892 19.352 1.00 0.00 H new ATOM 995 N LYS A 63 20.951 27.371 26.344 1.00 0.00 N ATOM 996 CA LYS A 63 21.173 26.229 27.255 1.00 0.00 C ATOM 997 C LYS A 63 21.767 25.032 26.509 1.00 0.00 C ATOM 998 O LYS A 63 21.605 24.907 25.301 1.00 0.00 O ATOM 999 CB LYS A 63 19.888 25.847 28.018 1.00 0.00 C ATOM 1000 CG LYS A 63 18.733 25.317 27.136 1.00 0.00 C ATOM 1001 CD LYS A 63 17.839 24.320 27.898 1.00 0.00 C ATOM 1002 CE LYS A 63 16.528 23.973 27.173 1.00 0.00 C ATOM 1003 NZ LYS A 63 16.700 23.159 25.945 1.00 0.00 N ATOM 0 H LYS A 63 19.989 27.709 26.331 1.00 0.00 H new ATOM 0 HA LYS A 63 21.902 26.544 28.002 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.136 25.087 28.759 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.535 26.722 28.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.128 26.154 26.788 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.145 24.832 26.251 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.401 23.402 28.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.601 24.736 28.877 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.878 23.434 27.863 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.017 24.899 26.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.767 22.942 25.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.264 23.691 25.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.189 22.272 26.182 1.00 0.00 H new ATOM 1017 N GLU A 64 22.426 24.140 27.248 1.00 0.00 N ATOM 1018 CA GLU A 64 23.023 22.900 26.703 1.00 0.00 C ATOM 1019 C GLU A 64 24.180 23.172 25.708 1.00 0.00 C ATOM 1020 O GLU A 64 24.705 22.251 25.089 1.00 0.00 O ATOM 1021 CB GLU A 64 21.936 21.886 26.221 1.00 0.00 C ATOM 1022 CG GLU A 64 20.654 22.008 27.077 1.00 0.00 C ATOM 1023 CD GLU A 64 19.516 20.990 26.870 1.00 0.00 C ATOM 1024 OE1 GLU A 64 18.601 21.322 26.076 1.00 0.00 O ATOM 1025 OE2 GLU A 64 19.413 20.023 27.661 1.00 0.00 O ATOM 0 H GLU A 64 22.567 24.250 28.252 1.00 0.00 H new ATOM 0 HA GLU A 64 23.521 22.386 27.525 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.698 22.071 25.173 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.326 20.870 26.285 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.952 21.959 28.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.240 23.002 26.909 1.00 0.00 H new ATOM 1032 N SER A 65 24.656 24.428 25.610 1.00 0.00 N ATOM 1033 CA SER A 65 25.849 24.792 24.841 1.00 0.00 C ATOM 1034 C SER A 65 27.109 24.289 25.535 1.00 0.00 C ATOM 1035 O SER A 65 27.233 24.413 26.755 1.00 0.00 O ATOM 1036 CB SER A 65 25.981 26.310 24.683 1.00 0.00 C ATOM 1037 OG SER A 65 24.931 26.844 23.909 1.00 0.00 O ATOM 0 H SER A 65 24.214 25.224 26.070 1.00 0.00 H new ATOM 0 HA SER A 65 25.738 24.331 23.860 1.00 0.00 H new ATOM 0 HB2 SER A 65 25.984 26.780 25.667 1.00 0.00 H new ATOM 0 HB3 SER A 65 26.936 26.546 24.214 1.00 0.00 H new ATOM 0 HG SER A 65 24.260 27.244 24.500 1.00 0.00 H new ATOM 1043 N THR A 66 28.071 23.808 24.749 1.00 0.00 N ATOM 1044 CA THR A 66 29.446 23.541 25.182 1.00 0.00 C ATOM 1045 C THR A 66 30.326 24.771 24.976 1.00 0.00 C ATOM 1046 O THR A 66 30.602 25.176 23.848 1.00 0.00 O ATOM 1047 CB THR A 66 30.045 22.317 24.468 1.00 0.00 C ATOM 1048 OG1 THR A 66 29.489 22.120 23.180 1.00 0.00 O ATOM 1049 CG2 THR A 66 29.780 21.059 25.293 1.00 0.00 C ATOM 0 H THR A 66 27.913 23.586 23.766 1.00 0.00 H new ATOM 0 HA THR A 66 29.413 23.312 26.247 1.00 0.00 H new ATOM 0 HB THR A 66 31.114 22.504 24.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.525 22.960 22.676 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.206 20.194 24.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.240 21.165 26.276 1.00 0.00 H new ATOM 0 HG23 THR A 66 28.705 20.919 25.409 1.00 0.00 H new ATOM 1057 N LEU A 67 30.786 25.363 26.078 1.00 0.00 N ATOM 1058 CA LEU A 67 31.815 26.407 26.069 1.00 0.00 C ATOM 1059 C LEU A 67 33.196 25.806 25.794 1.00 0.00 C ATOM 1060 O LEU A 67 33.421 24.630 26.073 1.00 0.00 O ATOM 1061 CB LEU A 67 31.830 27.147 27.417 1.00 0.00 C ATOM 1062 CG LEU A 67 30.755 28.221 27.640 1.00 0.00 C ATOM 1063 CD1 LEU A 67 30.879 29.377 26.648 1.00 0.00 C ATOM 1064 CD2 LEU A 67 29.321 27.693 27.637 1.00 0.00 C ATOM 0 H LEU A 67 30.452 25.130 27.013 1.00 0.00 H new ATOM 0 HA LEU A 67 31.577 27.113 25.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.736 26.406 28.210 1.00 0.00 H new ATOM 0 HB3 LEU A 67 32.806 27.617 27.533 1.00 0.00 H new ATOM 0 HG LEU A 67 30.954 28.586 28.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 30.098 30.111 26.845 1.00 0.00 H new ATOM 0 HD12 LEU A 67 31.856 29.848 26.758 1.00 0.00 H new ATOM 0 HD13 LEU A 67 30.772 28.997 25.632 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.629 28.519 27.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.107 27.226 26.676 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.203 26.957 28.432 1.00 0.00 H new ATOM 1076 N HIS A 68 34.132 26.640 25.339 1.00 0.00 N ATOM 1077 CA HIS A 68 35.527 26.245 25.079 1.00 0.00 C ATOM 1078 C HIS A 68 36.484 26.862 26.102 1.00 0.00 C ATOM 1079 O HIS A 68 36.604 28.086 26.186 1.00 0.00 O ATOM 1080 CB HIS A 68 35.959 26.635 23.662 1.00 0.00 C ATOM 1081 CG HIS A 68 35.239 25.891 22.569 1.00 0.00 C ATOM 1082 ND1 HIS A 68 35.372 24.529 22.296 1.00 0.00 N ATOM 1083 CD2 HIS A 68 34.354 26.438 21.687 1.00 0.00 C ATOM 1084 CE1 HIS A 68 34.542 24.281 21.270 1.00 0.00 C ATOM 1085 NE2 HIS A 68 33.923 25.407 20.879 1.00 0.00 N ATOM 0 H HIS A 68 33.946 27.622 25.137 1.00 0.00 H new ATOM 0 HA HIS A 68 35.574 25.160 25.173 1.00 0.00 H new ATOM 0 HB2 HIS A 68 35.796 27.704 23.526 1.00 0.00 H new ATOM 0 HB3 HIS A 68 37.030 26.460 23.560 1.00 0.00 H new ATOM 0 HD2 HIS A 68 34.051 27.473 21.632 1.00 0.00 H new ATOM 0 HE1 HIS A 68 34.393 23.310 20.821 1.00 0.00 H new ATOM 0 HE2 HIS A 68 33.250 25.486 20.116 1.00 0.00 H new ATOM 1093 N LEU A 69 37.184 25.998 26.842 1.00 0.00 N ATOM 1094 CA LEU A 69 38.178 26.353 27.858 1.00 0.00 C ATOM 1095 C LEU A 69 39.607 26.050 27.370 1.00 0.00 C ATOM 1096 O LEU A 69 39.966 24.895 27.120 1.00 0.00 O ATOM 1097 CB LEU A 69 37.828 25.625 29.177 1.00 0.00 C ATOM 1098 CG LEU A 69 37.362 26.516 30.346 1.00 0.00 C ATOM 1099 CD1 LEU A 69 38.509 27.317 30.917 1.00 0.00 C ATOM 1100 CD2 LEU A 69 36.238 27.490 29.978 1.00 0.00 C ATOM 0 H LEU A 69 37.068 24.989 26.745 1.00 0.00 H new ATOM 0 HA LEU A 69 38.151 27.427 28.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 37.044 24.897 28.968 1.00 0.00 H new ATOM 0 HB3 LEU A 69 38.705 25.065 29.502 1.00 0.00 H new ATOM 0 HG LEU A 69 36.972 25.816 31.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 38.148 27.935 31.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 39.279 26.639 31.284 1.00 0.00 H new ATOM 0 HD13 LEU A 69 38.929 27.956 30.140 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.967 28.080 30.853 1.00 0.00 H new ATOM 0 HD22 LEU A 69 36.578 28.154 29.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.368 26.929 29.635 1.00 0.00 H new ATOM 1112 N VAL A 70 40.418 27.108 27.264 1.00 0.00 N ATOM 1113 CA VAL A 70 41.818 27.099 26.806 1.00 0.00 C ATOM 1114 C VAL A 70 42.747 27.705 27.868 1.00 0.00 C ATOM 1115 O VAL A 70 42.354 28.628 28.581 1.00 0.00 O ATOM 1116 CB VAL A 70 41.984 27.856 25.467 1.00 0.00 C ATOM 1117 CG1 VAL A 70 41.080 27.319 24.356 1.00 0.00 C ATOM 1118 CG2 VAL A 70 41.688 29.353 25.578 1.00 0.00 C ATOM 0 H VAL A 70 40.101 28.046 27.508 1.00 0.00 H new ATOM 0 HA VAL A 70 42.097 26.057 26.646 1.00 0.00 H new ATOM 0 HB VAL A 70 43.033 27.694 25.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 41.245 27.892 23.444 1.00 0.00 H new ATOM 0 HG12 VAL A 70 41.313 26.270 24.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 40.037 27.411 24.659 1.00 0.00 H new ATOM 0 HG21 VAL A 70 41.823 29.824 24.604 1.00 0.00 H new ATOM 0 HG22 VAL A 70 40.660 29.497 25.911 1.00 0.00 H new ATOM 0 HG23 VAL A 70 42.370 29.806 26.298 1.00 0.00 H new ATOM 1128 N LEU A 71 43.997 27.234 27.952 1.00 0.00 N ATOM 1129 CA LEU A 71 45.006 27.733 28.911 1.00 0.00 C ATOM 1130 C LEU A 71 45.789 28.949 28.367 1.00 0.00 C ATOM 1131 O LEU A 71 46.307 28.858 27.240 1.00 0.00 O ATOM 1132 CB LEU A 71 45.954 26.561 29.257 1.00 0.00 C ATOM 1133 CG LEU A 71 46.838 26.846 30.490 1.00 0.00 C ATOM 1134 CD1 LEU A 71 46.147 26.403 31.779 1.00 0.00 C ATOM 1135 CD2 LEU A 71 48.173 26.118 30.370 1.00 0.00 C ATOM 0 H LEU A 71 44.346 26.487 27.352 1.00 0.00 H new ATOM 0 HA LEU A 71 44.501 28.089 29.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 45.362 25.664 29.440 1.00 0.00 H new ATOM 0 HB3 LEU A 71 46.593 26.352 28.399 1.00 0.00 H new ATOM 0 HG LEU A 71 47.007 27.922 30.528 1.00 0.00 H new ATOM 0 HD11 LEU A 71 46.794 26.616 32.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 45.207 26.944 31.892 1.00 0.00 H new ATOM 0 HD13 LEU A 71 45.947 25.332 31.735 1.00 0.00 H new ATOM 0 HD21 LEU A 71 48.783 26.330 31.248 1.00 0.00 H new ATOM 0 HD22 LEU A 71 47.997 25.044 30.301 1.00 0.00 H new ATOM 0 HD23 LEU A 71 48.694 26.458 29.475 1.00 0.00 H new ATOM 1147 N ARG A 72 45.965 30.017 29.156 1.00 0.00 N ATOM 1148 CA ARG A 72 46.665 31.243 28.721 1.00 0.00 C ATOM 1149 C ARG A 72 48.194 31.145 28.908 1.00 0.00 C ATOM 1150 O ARG A 72 48.818 32.054 29.442 1.00 0.00 O ATOM 1151 CB ARG A 72 46.016 32.472 29.399 1.00 0.00 C ATOM 1152 CG ARG A 72 46.397 33.838 28.792 1.00 0.00 C ATOM 1153 CD ARG A 72 46.238 33.903 27.264 1.00 0.00 C ATOM 1154 NE ARG A 72 46.227 35.293 26.773 1.00 0.00 N ATOM 1155 CZ ARG A 72 45.969 35.712 25.546 1.00 0.00 C ATOM 1156 NH1 ARG A 72 45.719 34.899 24.557 1.00 0.00 N ATOM 1157 NH2 ARG A 72 45.939 36.983 25.290 1.00 0.00 N ATOM 0 H ARG A 72 45.627 30.060 30.117 1.00 0.00 H new ATOM 0 HA ARG A 72 46.543 31.367 27.645 1.00 0.00 H new ATOM 0 HB2 ARG A 72 44.933 32.362 29.353 1.00 0.00 H new ATOM 0 HB3 ARG A 72 46.291 32.472 30.454 1.00 0.00 H new ATOM 0 HG2 ARG A 72 45.778 34.612 29.246 1.00 0.00 H new ATOM 0 HG3 ARG A 72 47.431 34.064 29.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 47.054 33.357 26.790 1.00 0.00 H new ATOM 0 HD3 ARG A 72 45.311 33.408 26.974 1.00 0.00 H new ATOM 0 HE ARG A 72 46.444 36.015 27.460 1.00 0.00 H new ATOM 0 HH11 ARG A 72 45.717 33.891 24.713 1.00 0.00 H new ATOM 0 HH12 ARG A 72 45.525 35.271 23.627 1.00 0.00 H new ATOM 0 HH21 ARG A 72 46.114 37.658 26.035 1.00 0.00 H new ATOM 0 HH22 ARG A 72 45.740 37.308 24.344 1.00 0.00 H new ATOM 1171 N LEU A 73 48.797 30.029 28.479 1.00 0.00 N ATOM 1172 CA LEU A 73 50.245 29.779 28.634 1.00 0.00 C ATOM 1173 C LEU A 73 50.876 29.030 27.445 1.00 0.00 C ATOM 1174 O LEU A 73 51.804 28.242 27.612 1.00 0.00 O ATOM 1175 CB LEU A 73 50.495 29.142 30.023 1.00 0.00 C ATOM 1176 CG LEU A 73 51.701 29.754 30.777 1.00 0.00 C ATOM 1177 CD1 LEU A 73 51.316 30.097 32.219 1.00 0.00 C ATOM 1178 CD2 LEU A 73 52.893 28.800 30.825 1.00 0.00 C ATOM 0 H LEU A 73 48.299 29.270 28.014 1.00 0.00 H new ATOM 0 HA LEU A 73 50.778 30.729 28.608 1.00 0.00 H new ATOM 0 HB2 LEU A 73 49.599 29.257 30.633 1.00 0.00 H new ATOM 0 HB3 LEU A 73 50.660 28.072 29.898 1.00 0.00 H new ATOM 0 HG LEU A 73 51.983 30.653 30.228 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.176 30.526 32.733 1.00 0.00 H new ATOM 0 HD12 LEU A 73 50.499 30.818 32.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 50.999 29.191 32.736 1.00 0.00 H new ATOM 0 HD21 LEU A 73 53.715 29.272 31.363 1.00 0.00 H new ATOM 0 HD22 LEU A 73 52.604 27.882 31.336 1.00 0.00 H new ATOM 0 HD23 LEU A 73 53.212 28.565 29.810 1.00 0.00 H new ATOM 1190 N ARG A 74 50.344 29.256 26.232 1.00 0.00 N ATOM 1191 CA ARG A 74 50.869 28.705 24.964 1.00 0.00 C ATOM 1192 C ARG A 74 50.867 29.737 23.830 1.00 0.00 C ATOM 1193 O ARG A 74 51.935 30.153 23.397 1.00 0.00 O ATOM 1194 CB ARG A 74 50.132 27.405 24.578 1.00 0.00 C ATOM 1195 CG ARG A 74 50.519 26.229 25.496 1.00 0.00 C ATOM 1196 CD ARG A 74 49.885 24.904 25.042 1.00 0.00 C ATOM 1197 NE ARG A 74 50.579 23.738 25.629 1.00 0.00 N ATOM 1198 CZ ARG A 74 50.312 22.458 25.411 1.00 0.00 C ATOM 1199 NH1 ARG A 74 49.287 22.061 24.712 1.00 0.00 N ATOM 1200 NH2 ARG A 74 51.092 21.529 25.880 1.00 0.00 N ATOM 0 H ARG A 74 49.518 29.840 26.099 1.00 0.00 H new ATOM 0 HA ARG A 74 51.916 28.450 25.130 1.00 0.00 H new ATOM 0 HB2 ARG A 74 49.056 27.568 24.632 1.00 0.00 H new ATOM 0 HB3 ARG A 74 50.364 27.150 23.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 51.604 26.124 25.511 1.00 0.00 H new ATOM 0 HG3 ARG A 74 50.206 26.449 26.517 1.00 0.00 H new ATOM 0 HD2 ARG A 74 48.834 24.885 25.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 49.918 24.838 23.955 1.00 0.00 H new ATOM 0 HE ARG A 74 51.346 23.940 26.271 1.00 0.00 H new ATOM 0 HH11 ARG A 74 48.650 22.747 24.306 1.00 0.00 H new ATOM 0 HH12 ARG A 74 49.121 21.065 24.571 1.00 0.00 H new ATOM 0 HH21 ARG A 74 51.918 21.782 26.421 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.877 20.547 25.706 1.00 0.00 H new ATOM 1214 N GLY A 75 49.685 30.191 23.401 1.00 0.00 N ATOM 1215 CA GLY A 75 49.530 31.176 22.313 1.00 0.00 C ATOM 1216 C GLY A 75 49.260 30.584 20.919 1.00 0.00 C ATOM 1217 O GLY A 75 49.365 31.312 19.932 1.00 0.00 O ATOM 0 H GLY A 75 48.797 29.885 23.800 1.00 0.00 H new ATOM 0 HA2 GLY A 75 48.711 31.848 22.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 50.435 31.782 22.263 1.00 0.00 H new ATOM 1221 N GLY A 76 48.897 29.299 20.842 1.00 0.00 N ATOM 1222 CA GLY A 76 48.608 28.535 19.619 1.00 0.00 C ATOM 1223 C GLY A 76 47.991 27.187 19.966 1.00 0.00 C ATOM 1224 O GLY A 76 46.849 27.233 20.464 1.00 0.00 O ATOM 1225 OXT GLY A 76 48.687 26.158 19.792 1.00 0.00 O ATOM 0 H GLY A 76 48.790 28.729 21.681 1.00 0.00 H new ATOM 0 HA2 GLY A 76 47.927 29.100 18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 76 49.526 28.386 19.051 1.00 0.00 H new TER 1229 GLY A 76