USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -78:sc= 0.475 USER MOD Set 1.2: A 9 THR OG1 : rot -102:sc= 0.158 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 2.16 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0.695 K(o=0.69,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.489 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.04 K(o=1,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.49 (180deg=0.611) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 1.32 (180deg=0.606) USER MOD Single : A 31 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.0084) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 1.75 K(o=1.8,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.00486 K(o=0.0049,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -49:sc= 0.731 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 135:sc= 0.152 USER MOD Single : A 60 ASN : amide:sc= 1.02 K(o=1,f=-0.013) USER MOD Single : A 62 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.0095) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.13 (180deg=-0.347) USER MOD Single : A 65 SER OG : rot 89:sc= 0.95 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00671 X(o=-0.0067,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.110 30.782 15.803 1.00 0.00 N ATOM 2 CA MET A 1 14.235 30.334 17.202 1.00 0.00 C ATOM 3 C MET A 1 15.561 30.797 17.796 1.00 0.00 C ATOM 4 O MET A 1 16.628 30.691 17.182 1.00 0.00 O ATOM 5 CB MET A 1 14.062 28.816 17.221 1.00 0.00 C ATOM 6 CG MET A 1 14.165 28.207 18.622 1.00 0.00 C ATOM 7 SD MET A 1 13.961 26.408 18.670 1.00 0.00 S ATOM 8 CE MET A 1 15.576 25.850 19.270 1.00 0.00 C ATOM 0 H1 MET A 1 13.292 31.418 15.714 1.00 0.00 H new ATOM 0 H2 MET A 1 14.974 31.288 15.522 1.00 0.00 H new ATOM 0 H3 MET A 1 13.975 29.957 15.185 1.00 0.00 H new ATOM 0 HA MET A 1 13.463 30.778 17.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.091 28.564 16.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.819 28.364 16.580 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.136 28.462 19.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.409 28.664 19.260 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.581 24.763 19.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.353 26.170 18.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.768 26.281 20.253 1.00 0.00 H new ATOM 20 N GLN A 2 15.541 31.280 19.032 1.00 0.00 N ATOM 21 CA GLN A 2 16.746 31.935 19.512 1.00 0.00 C ATOM 22 C GLN A 2 17.261 31.092 20.669 1.00 0.00 C ATOM 23 O GLN A 2 16.460 30.468 21.358 1.00 0.00 O ATOM 24 CB GLN A 2 16.401 33.358 19.936 1.00 0.00 C ATOM 25 CG GLN A 2 15.889 34.283 18.821 1.00 0.00 C ATOM 26 CD GLN A 2 16.275 35.758 18.924 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.514 36.230 20.029 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.321 36.548 17.858 1.00 0.00 N ATOM 0 H GLN A 2 14.757 31.236 19.683 1.00 0.00 H new ATOM 0 HA GLN A 2 17.520 32.012 18.748 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.644 33.310 20.719 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.289 33.810 20.378 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.254 33.901 17.867 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.801 34.217 18.796 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.124 36.167 16.932 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.553 37.535 17.965 1.00 0.00 H new ATOM 37 N ILE A 3 18.576 30.970 20.866 1.00 0.00 N ATOM 38 CA ILE A 3 19.222 30.355 21.999 1.00 0.00 C ATOM 39 C ILE A 3 20.326 31.285 22.505 1.00 0.00 C ATOM 40 O ILE A 3 20.565 32.349 21.928 1.00 0.00 O ATOM 41 CB ILE A 3 19.769 28.991 21.564 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.643 29.112 20.321 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.559 28.139 21.190 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.173 27.790 19.761 1.00 0.00 C ATOM 0 H ILE A 3 19.250 31.325 20.188 1.00 0.00 H new ATOM 0 HA ILE A 3 18.522 30.195 22.819 1.00 0.00 H new ATOM 0 HB ILE A 3 20.367 28.565 22.370 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.069 29.613 19.541 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.492 29.754 20.555 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.894 27.152 20.871 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.904 28.038 22.055 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.014 28.618 20.376 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.782 27.987 18.879 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.780 27.292 20.517 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.335 27.149 19.488 1.00 0.00 H new ATOM 56 N PHE A 4 21.022 30.912 23.584 1.00 0.00 N ATOM 57 CA PHE A 4 22.093 31.764 24.058 1.00 0.00 C ATOM 58 C PHE A 4 23.330 30.871 24.093 1.00 0.00 C ATOM 59 O PHE A 4 23.193 29.696 24.428 1.00 0.00 O ATOM 60 CB PHE A 4 21.899 32.425 25.419 1.00 0.00 C ATOM 61 CG PHE A 4 20.963 33.596 25.559 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.512 34.814 25.152 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.597 33.533 25.890 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.775 35.991 25.303 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.838 34.701 25.854 1.00 0.00 C ATOM 66 CZ PHE A 4 19.406 35.956 25.623 1.00 0.00 C ATOM 0 H PHE A 4 20.865 30.059 24.121 1.00 0.00 H new ATOM 0 HA PHE A 4 22.158 32.616 23.381 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.558 31.653 26.109 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.880 32.751 25.764 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.502 34.846 24.722 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.143 32.593 26.168 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.265 36.944 25.172 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.772 34.633 26.010 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.819 36.860 25.687 1.00 0.00 H new ATOM 76 N VAL A 5 24.508 31.454 23.878 1.00 0.00 N ATOM 77 CA VAL A 5 25.737 30.683 23.949 1.00 0.00 C ATOM 78 C VAL A 5 26.642 31.476 24.886 1.00 0.00 C ATOM 79 O VAL A 5 27.147 32.548 24.572 1.00 0.00 O ATOM 80 CB VAL A 5 26.373 30.398 22.582 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.231 28.928 22.181 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.809 31.212 21.421 1.00 0.00 C ATOM 0 H VAL A 5 24.632 32.442 23.657 1.00 0.00 H new ATOM 0 HA VAL A 5 25.549 29.678 24.327 1.00 0.00 H new ATOM 0 HB VAL A 5 27.413 30.684 22.739 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.695 28.770 21.207 1.00 0.00 H new ATOM 0 HG12 VAL A 5 26.723 28.299 22.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 25.174 28.666 22.126 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.324 30.937 20.500 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.744 31.007 21.316 1.00 0.00 H new ATOM 0 HG23 VAL A 5 25.956 32.274 21.616 1.00 0.00 H new ATOM 92 N LYS A 6 26.920 30.943 26.078 1.00 0.00 N ATOM 93 CA LYS A 6 27.928 31.381 27.022 1.00 0.00 C ATOM 94 C LYS A 6 29.361 31.057 26.578 1.00 0.00 C ATOM 95 O LYS A 6 29.682 29.886 26.377 1.00 0.00 O ATOM 96 CB LYS A 6 27.662 30.863 28.430 1.00 0.00 C ATOM 97 CG LYS A 6 28.092 31.824 29.539 1.00 0.00 C ATOM 98 CD LYS A 6 28.047 31.201 30.938 1.00 0.00 C ATOM 99 CE LYS A 6 28.569 32.163 32.008 1.00 0.00 C ATOM 100 NZ LYS A 6 28.148 31.962 33.402 1.00 0.00 N ATOM 0 H LYS A 6 26.403 30.135 26.426 1.00 0.00 H new ATOM 0 HA LYS A 6 27.847 32.468 27.043 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.597 30.657 28.535 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.184 29.915 28.562 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.106 32.170 29.336 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.446 32.701 29.520 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.022 30.915 31.175 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.643 30.288 30.948 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.658 32.126 31.983 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.277 33.172 31.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.583 32.690 34.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.112 32.033 33.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.450 31.020 33.724 1.00 0.00 H new ATOM 114 N THR A 7 30.182 32.062 26.316 1.00 0.00 N ATOM 115 CA THR A 7 31.479 31.927 25.691 1.00 0.00 C ATOM 116 C THR A 7 32.520 31.827 26.816 1.00 0.00 C ATOM 117 O THR A 7 32.250 31.887 28.006 1.00 0.00 O ATOM 118 CB THR A 7 31.628 33.121 24.742 1.00 0.00 C ATOM 119 OG1 THR A 7 31.434 34.304 25.489 1.00 0.00 O ATOM 120 CG2 THR A 7 30.729 33.155 23.512 1.00 0.00 C ATOM 0 H THR A 7 29.950 33.029 26.543 1.00 0.00 H new ATOM 0 HA THR A 7 31.614 31.031 25.086 1.00 0.00 H new ATOM 0 HB THR A 7 32.631 33.023 24.327 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.475 34.443 25.638 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.941 34.053 22.931 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.917 32.274 22.899 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.685 33.163 23.825 1.00 0.00 H new ATOM 128 N LEU A 8 33.747 31.497 26.424 1.00 0.00 N ATOM 129 CA LEU A 8 34.805 31.038 27.315 1.00 0.00 C ATOM 130 C LEU A 8 35.398 32.109 28.227 1.00 0.00 C ATOM 131 O LEU A 8 36.221 31.791 29.075 1.00 0.00 O ATOM 132 CB LEU A 8 35.951 30.634 26.386 1.00 0.00 C ATOM 133 CG LEU A 8 35.721 29.510 25.374 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.595 29.932 23.901 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.906 28.554 25.522 1.00 0.00 C ATOM 0 H LEU A 8 34.040 31.543 25.448 1.00 0.00 H new ATOM 0 HA LEU A 8 34.381 30.264 27.954 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.253 31.522 25.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.796 30.347 27.011 1.00 0.00 H new ATOM 0 HG LEU A 8 34.751 29.068 25.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.435 29.049 23.282 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.751 30.612 23.788 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.510 30.434 23.587 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.796 27.727 24.821 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.833 29.088 25.311 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.935 28.165 26.540 1.00 0.00 H new ATOM 147 N THR A 9 35.161 33.385 27.935 1.00 0.00 N ATOM 148 CA THR A 9 35.349 34.545 28.776 1.00 0.00 C ATOM 149 C THR A 9 34.280 34.620 29.861 1.00 0.00 C ATOM 150 O THR A 9 34.539 35.007 30.998 1.00 0.00 O ATOM 151 CB THR A 9 35.365 35.744 27.823 1.00 0.00 C ATOM 152 OG1 THR A 9 34.342 35.603 26.874 1.00 0.00 O ATOM 153 CG2 THR A 9 36.657 35.976 27.039 1.00 0.00 C ATOM 0 H THR A 9 34.800 33.648 27.018 1.00 0.00 H new ATOM 0 HA THR A 9 36.283 34.512 29.337 1.00 0.00 H new ATOM 0 HB THR A 9 35.242 36.600 28.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.723 35.296 26.025 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.543 36.852 26.401 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.480 36.138 27.734 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.870 35.103 26.422 1.00 0.00 H new ATOM 161 N GLY A 10 33.091 34.118 29.516 1.00 0.00 N ATOM 162 CA GLY A 10 31.873 34.048 30.291 1.00 0.00 C ATOM 163 C GLY A 10 30.812 34.975 29.708 1.00 0.00 C ATOM 164 O GLY A 10 29.717 35.065 30.272 1.00 0.00 O ATOM 0 H GLY A 10 32.956 33.712 28.590 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.502 33.023 30.303 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.077 34.325 31.325 1.00 0.00 H new ATOM 168 N LYS A 11 31.038 35.673 28.604 1.00 0.00 N ATOM 169 CA LYS A 11 30.063 36.450 27.861 1.00 0.00 C ATOM 170 C LYS A 11 28.966 35.617 27.189 1.00 0.00 C ATOM 171 O LYS A 11 29.167 34.447 26.877 1.00 0.00 O ATOM 172 CB LYS A 11 30.725 37.267 26.758 1.00 0.00 C ATOM 173 CG LYS A 11 31.561 38.513 27.083 1.00 0.00 C ATOM 174 CD LYS A 11 32.065 39.270 25.854 1.00 0.00 C ATOM 175 CE LYS A 11 33.145 40.311 26.154 1.00 0.00 C ATOM 176 NZ LYS A 11 34.209 40.157 25.157 1.00 0.00 N ATOM 0 H LYS A 11 31.965 35.713 28.179 1.00 0.00 H new ATOM 0 HA LYS A 11 29.607 37.084 28.621 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.370 36.587 26.202 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.934 37.583 26.078 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.961 39.190 27.692 1.00 0.00 H new ATOM 0 HG3 LYS A 11 32.417 38.214 27.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.459 38.551 25.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.221 39.767 25.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.727 41.317 26.114 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.541 40.171 27.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.958 40.855 25.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.607 39.198 25.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.818 40.309 24.205 1.00 0.00 H new ATOM 190 N THR A 12 27.737 36.124 27.081 1.00 0.00 N ATOM 191 CA THR A 12 26.538 35.382 26.761 1.00 0.00 C ATOM 192 C THR A 12 26.080 35.969 25.422 1.00 0.00 C ATOM 193 O THR A 12 25.701 37.142 25.491 1.00 0.00 O ATOM 194 CB THR A 12 25.512 35.738 27.838 1.00 0.00 C ATOM 195 OG1 THR A 12 25.933 35.522 29.168 1.00 0.00 O ATOM 196 CG2 THR A 12 24.297 34.821 27.686 1.00 0.00 C ATOM 0 H THR A 12 27.552 37.117 27.224 1.00 0.00 H new ATOM 0 HA THR A 12 26.672 34.301 26.712 1.00 0.00 H new ATOM 0 HB THR A 12 25.323 36.801 27.688 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.215 35.778 29.784 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.558 35.066 28.449 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.858 34.960 26.698 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.608 33.783 27.802 1.00 0.00 H new ATOM 204 N ILE A 13 26.220 35.285 24.296 1.00 0.00 N ATOM 205 CA ILE A 13 25.875 35.824 22.997 1.00 0.00 C ATOM 206 C ILE A 13 24.487 35.259 22.704 1.00 0.00 C ATOM 207 O ILE A 13 24.293 34.079 22.981 1.00 0.00 O ATOM 208 CB ILE A 13 26.975 35.324 22.061 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.405 35.709 22.469 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.821 35.789 20.614 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.768 37.184 22.335 1.00 0.00 C ATOM 0 H ILE A 13 26.580 34.331 24.262 1.00 0.00 H new ATOM 0 HA ILE A 13 25.825 36.909 22.903 1.00 0.00 H new ATOM 0 HB ILE A 13 26.840 34.246 22.146 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.557 35.411 23.506 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.102 35.128 21.865 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.641 35.392 20.015 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.873 35.429 20.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.840 36.878 20.578 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.800 37.335 22.651 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.658 37.493 21.295 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.105 37.780 22.962 1.00 0.00 H new ATOM 223 N THR A 14 23.599 36.061 22.114 1.00 0.00 N ATOM 224 CA THR A 14 22.333 35.666 21.528 1.00 0.00 C ATOM 225 C THR A 14 22.571 35.060 20.137 1.00 0.00 C ATOM 226 O THR A 14 23.378 35.501 19.314 1.00 0.00 O ATOM 227 CB THR A 14 21.444 36.889 21.336 1.00 0.00 C ATOM 228 OG1 THR A 14 21.282 37.722 22.465 1.00 0.00 O ATOM 229 CG2 THR A 14 19.980 36.686 20.943 1.00 0.00 C ATOM 0 H THR A 14 23.762 37.064 22.032 1.00 0.00 H new ATOM 0 HA THR A 14 21.861 34.944 22.194 1.00 0.00 H new ATOM 0 HB THR A 14 22.038 37.309 20.524 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.137 37.169 23.261 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.491 37.656 20.848 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.929 36.159 19.990 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.475 36.099 21.710 1.00 0.00 H new ATOM 237 N LEU A 15 21.880 33.957 19.852 1.00 0.00 N ATOM 238 CA LEU A 15 22.210 33.186 18.669 1.00 0.00 C ATOM 239 C LEU A 15 20.814 32.792 18.174 1.00 0.00 C ATOM 240 O LEU A 15 19.970 32.337 18.947 1.00 0.00 O ATOM 241 CB LEU A 15 23.221 32.084 18.999 1.00 0.00 C ATOM 242 CG LEU A 15 24.119 31.431 17.952 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.258 30.837 16.847 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.167 32.437 17.466 1.00 0.00 C ATOM 0 H LEU A 15 21.110 33.590 20.411 1.00 0.00 H new ATOM 0 HA LEU A 15 22.751 33.689 17.868 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.884 32.492 19.762 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.656 31.278 19.466 1.00 0.00 H new ATOM 0 HG LEU A 15 24.681 30.601 18.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.898 30.370 16.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.589 30.088 17.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.670 31.627 16.380 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.805 31.965 16.719 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.667 33.299 17.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.776 32.764 18.309 1.00 0.00 H new ATOM 256 N GLU A 16 20.574 32.904 16.865 1.00 0.00 N ATOM 257 CA GLU A 16 19.404 32.521 16.095 1.00 0.00 C ATOM 258 C GLU A 16 19.725 31.231 15.356 1.00 0.00 C ATOM 259 O GLU A 16 20.727 30.928 14.696 1.00 0.00 O ATOM 260 CB GLU A 16 19.179 33.678 15.115 1.00 0.00 C ATOM 261 CG GLU A 16 17.845 33.406 14.412 1.00 0.00 C ATOM 262 CD GLU A 16 16.569 33.748 15.171 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.420 34.965 15.440 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.653 32.915 15.323 1.00 0.00 O ATOM 0 H GLU A 16 21.282 33.314 16.256 1.00 0.00 H new ATOM 0 HA GLU A 16 18.516 32.347 16.702 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.151 34.632 15.642 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.993 33.737 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.839 33.963 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.810 32.347 14.154 1.00 0.00 H new ATOM 271 N VAL A 17 18.770 30.326 15.521 1.00 0.00 N ATOM 272 CA VAL A 17 18.635 29.002 14.941 1.00 0.00 C ATOM 273 C VAL A 17 17.258 28.565 14.430 1.00 0.00 C ATOM 274 O VAL A 17 16.384 29.432 14.337 1.00 0.00 O ATOM 275 CB VAL A 17 19.236 27.978 15.904 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.677 28.289 16.294 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.300 27.751 17.093 1.00 0.00 C ATOM 0 H VAL A 17 17.982 30.529 16.136 1.00 0.00 H new ATOM 0 HA VAL A 17 19.190 29.060 14.005 1.00 0.00 H new ATOM 0 HB VAL A 17 19.314 27.028 15.376 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.042 27.523 16.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.301 28.304 15.400 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.720 29.263 16.782 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.742 27.019 17.769 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.151 28.692 17.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.340 27.380 16.735 1.00 0.00 H new ATOM 287 N GLU A 18 17.058 27.277 14.171 1.00 0.00 N ATOM 288 CA GLU A 18 15.794 26.624 13.926 1.00 0.00 C ATOM 289 C GLU A 18 16.084 25.220 14.471 1.00 0.00 C ATOM 290 O GLU A 18 17.138 24.691 14.145 1.00 0.00 O ATOM 291 CB GLU A 18 15.339 26.776 12.473 1.00 0.00 C ATOM 292 CG GLU A 18 13.874 27.212 12.380 1.00 0.00 C ATOM 293 CD GLU A 18 13.619 28.586 12.972 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.826 29.626 12.310 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.188 28.631 14.149 1.00 0.00 O ATOM 0 H GLU A 18 17.838 26.621 14.125 1.00 0.00 H new ATOM 0 HA GLU A 18 14.913 27.042 14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.969 27.509 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.471 25.829 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.568 27.212 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.251 26.481 12.895 1.00 0.00 H new ATOM 302 N PRO A 19 15.170 24.554 15.181 1.00 0.00 N ATOM 303 CA PRO A 19 15.401 23.261 15.798 1.00 0.00 C ATOM 304 C PRO A 19 15.751 22.072 14.895 1.00 0.00 C ATOM 305 O PRO A 19 16.309 21.101 15.394 1.00 0.00 O ATOM 306 CB PRO A 19 14.193 22.934 16.679 1.00 0.00 C ATOM 307 CG PRO A 19 13.122 23.948 16.247 1.00 0.00 C ATOM 308 CD PRO A 19 13.812 25.012 15.402 1.00 0.00 C ATOM 0 HA PRO A 19 16.326 23.387 16.361 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.855 21.909 16.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.433 23.036 17.737 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.336 23.455 15.675 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.647 24.399 17.119 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.292 25.151 14.454 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.807 25.975 15.913 1.00 0.00 H new ATOM 316 N SER A 20 15.405 22.093 13.611 1.00 0.00 N ATOM 317 CA SER A 20 15.795 21.065 12.665 1.00 0.00 C ATOM 318 C SER A 20 17.092 21.240 11.880 1.00 0.00 C ATOM 319 O SER A 20 17.779 20.257 11.587 1.00 0.00 O ATOM 320 CB SER A 20 14.656 20.766 11.692 1.00 0.00 C ATOM 321 OG SER A 20 13.382 20.569 12.266 1.00 0.00 O ATOM 0 H SER A 20 14.839 22.835 13.199 1.00 0.00 H new ATOM 0 HA SER A 20 16.014 20.229 13.330 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.588 21.589 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.917 19.874 11.123 1.00 0.00 H new ATOM 0 HG SER A 20 12.729 20.387 11.558 1.00 0.00 H new ATOM 327 N ASP A 21 17.517 22.490 11.706 1.00 0.00 N ATOM 328 CA ASP A 21 18.733 22.983 11.104 1.00 0.00 C ATOM 329 C ASP A 21 19.921 22.698 12.025 1.00 0.00 C ATOM 330 O ASP A 21 20.055 23.295 13.087 1.00 0.00 O ATOM 331 CB ASP A 21 18.538 24.423 10.620 1.00 0.00 C ATOM 332 CG ASP A 21 19.753 25.043 9.950 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.403 24.529 9.009 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.069 26.197 10.323 1.00 0.00 O ATOM 0 H ASP A 21 16.939 23.267 12.026 1.00 0.00 H new ATOM 0 HA ASP A 21 18.984 22.446 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.704 24.445 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.255 25.042 11.472 1.00 0.00 H new ATOM 339 N THR A 22 20.679 21.707 11.561 1.00 0.00 N ATOM 340 CA THR A 22 21.590 20.757 12.170 1.00 0.00 C ATOM 341 C THR A 22 22.605 21.415 13.114 1.00 0.00 C ATOM 342 O THR A 22 23.055 22.534 12.890 1.00 0.00 O ATOM 343 CB THR A 22 22.275 19.841 11.152 1.00 0.00 C ATOM 344 OG1 THR A 22 23.165 20.453 10.259 1.00 0.00 O ATOM 345 CG2 THR A 22 21.279 19.031 10.322 1.00 0.00 C ATOM 0 H THR A 22 20.654 21.529 10.557 1.00 0.00 H new ATOM 0 HA THR A 22 20.958 20.119 12.787 1.00 0.00 H new ATOM 0 HB THR A 22 22.864 19.199 11.807 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.543 19.777 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.821 18.400 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.679 18.405 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.626 19.710 9.773 1.00 0.00 H new ATOM 353 N ILE A 23 23.006 20.678 14.146 1.00 0.00 N ATOM 354 CA ILE A 23 23.925 21.202 15.131 1.00 0.00 C ATOM 355 C ILE A 23 25.242 21.652 14.507 1.00 0.00 C ATOM 356 O ILE A 23 25.678 22.776 14.756 1.00 0.00 O ATOM 357 CB ILE A 23 24.161 20.177 16.248 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.962 19.840 17.147 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.508 20.180 16.977 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.036 18.514 17.905 1.00 0.00 C ATOM 0 H ILE A 23 22.705 19.718 14.315 1.00 0.00 H new ATOM 0 HA ILE A 23 23.465 22.088 15.568 1.00 0.00 H new ATOM 0 HB ILE A 23 24.267 19.305 15.603 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.843 20.644 17.874 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.063 19.832 16.530 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.513 19.397 17.735 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.309 19.997 16.261 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.661 21.148 17.454 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.135 18.387 18.505 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.117 17.692 17.194 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.909 18.516 18.558 1.00 0.00 H new ATOM 372 N GLU A 24 25.743 20.891 13.539 1.00 0.00 N ATOM 373 CA GLU A 24 26.872 21.227 12.692 1.00 0.00 C ATOM 374 C GLU A 24 26.752 22.651 12.140 1.00 0.00 C ATOM 375 O GLU A 24 27.699 23.421 12.266 1.00 0.00 O ATOM 376 CB GLU A 24 26.909 20.198 11.557 1.00 0.00 C ATOM 377 CG GLU A 24 27.723 18.945 11.852 1.00 0.00 C ATOM 378 CD GLU A 24 28.040 18.138 10.601 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.223 18.226 9.653 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.966 17.312 10.691 1.00 0.00 O ATOM 0 H GLU A 24 25.349 19.977 13.316 1.00 0.00 H new ATOM 0 HA GLU A 24 27.798 21.198 13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.887 19.902 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.316 20.676 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.655 19.230 12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.174 18.318 12.554 1.00 0.00 H new ATOM 387 N ASN A 25 25.626 22.984 11.530 1.00 0.00 N ATOM 388 CA ASN A 25 25.266 24.281 10.994 1.00 0.00 C ATOM 389 C ASN A 25 25.009 25.356 12.061 1.00 0.00 C ATOM 390 O ASN A 25 25.119 26.559 11.843 1.00 0.00 O ATOM 391 CB ASN A 25 24.080 24.269 10.034 1.00 0.00 C ATOM 392 CG ASN A 25 23.991 25.432 9.051 1.00 0.00 C ATOM 393 OD1 ASN A 25 25.015 26.037 8.752 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.797 25.758 8.563 1.00 0.00 N ATOM 0 H ASN A 25 24.884 22.299 11.387 1.00 0.00 H new ATOM 0 HA ASN A 25 26.163 24.543 10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.112 23.341 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.163 24.249 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.708 26.539 7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.971 25.227 8.839 1.00 0.00 H new ATOM 401 N VAL A 26 24.632 25.078 13.309 1.00 0.00 N ATOM 402 CA VAL A 26 24.575 25.900 14.503 1.00 0.00 C ATOM 403 C VAL A 26 25.920 26.524 14.848 1.00 0.00 C ATOM 404 O VAL A 26 25.990 27.758 14.887 1.00 0.00 O ATOM 405 CB VAL A 26 23.854 25.236 15.683 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.848 26.037 16.978 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.415 24.839 15.368 1.00 0.00 C ATOM 0 H VAL A 26 24.316 24.133 13.528 1.00 0.00 H new ATOM 0 HA VAL A 26 23.928 26.742 14.256 1.00 0.00 H new ATOM 0 HB VAL A 26 24.462 24.346 15.843 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.314 25.480 17.748 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.874 26.212 17.302 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.352 26.993 16.812 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.965 24.375 16.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.845 25.726 15.094 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.406 24.131 14.539 1.00 0.00 H new ATOM 417 N LYS A 27 26.950 25.691 14.993 1.00 0.00 N ATOM 418 CA LYS A 27 28.350 26.031 15.060 1.00 0.00 C ATOM 419 C LYS A 27 28.827 27.068 14.044 1.00 0.00 C ATOM 420 O LYS A 27 29.691 27.869 14.403 1.00 0.00 O ATOM 421 CB LYS A 27 29.238 24.793 14.957 1.00 0.00 C ATOM 422 CG LYS A 27 28.939 23.686 15.965 1.00 0.00 C ATOM 423 CD LYS A 27 29.917 22.521 15.808 1.00 0.00 C ATOM 424 CE LYS A 27 29.918 21.373 16.814 1.00 0.00 C ATOM 425 NZ LYS A 27 31.101 20.538 16.547 1.00 0.00 N ATOM 0 H LYS A 27 26.803 24.685 15.072 1.00 0.00 H new ATOM 0 HA LYS A 27 28.447 26.495 16.042 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.143 24.381 13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.277 25.101 15.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.003 24.085 16.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.918 23.329 15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.745 22.086 14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.922 22.943 15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.946 21.759 17.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.006 20.783 16.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.321 19.968 17.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.906 19.907 15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.912 21.148 16.320 1.00 0.00 H new ATOM 439 N ALA A 28 28.437 27.041 12.771 1.00 0.00 N ATOM 440 CA ALA A 28 28.803 27.908 11.674 1.00 0.00 C ATOM 441 C ALA A 28 28.303 29.343 11.871 1.00 0.00 C ATOM 442 O ALA A 28 29.037 30.292 11.616 1.00 0.00 O ATOM 443 CB ALA A 28 28.336 27.287 10.352 1.00 0.00 C ATOM 0 H ALA A 28 27.782 26.325 12.458 1.00 0.00 H new ATOM 0 HA ALA A 28 29.889 27.992 11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.612 27.941 9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.810 26.315 10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.253 27.163 10.371 1.00 0.00 H new ATOM 449 N LYS A 29 27.159 29.501 12.523 1.00 0.00 N ATOM 450 CA LYS A 29 26.596 30.761 12.982 1.00 0.00 C ATOM 451 C LYS A 29 27.373 31.418 14.129 1.00 0.00 C ATOM 452 O LYS A 29 27.593 32.619 14.227 1.00 0.00 O ATOM 453 CB LYS A 29 25.138 30.502 13.341 1.00 0.00 C ATOM 454 CG LYS A 29 24.334 29.898 12.192 1.00 0.00 C ATOM 455 CD LYS A 29 22.875 29.509 12.403 1.00 0.00 C ATOM 456 CE LYS A 29 22.471 28.578 11.254 1.00 0.00 C ATOM 457 NZ LYS A 29 21.013 28.551 11.058 1.00 0.00 N ATOM 0 H LYS A 29 26.565 28.706 12.759 1.00 0.00 H new ATOM 0 HA LYS A 29 26.672 31.493 12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.095 29.830 14.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.674 31.439 13.647 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.363 30.610 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.863 29.004 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.747 29.009 13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.241 30.396 12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.955 28.905 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.828 27.569 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.688 27.565 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.546 29.025 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.772 29.045 10.175 1.00 0.00 H new ATOM 471 N ILE A 30 27.971 30.567 14.966 1.00 0.00 N ATOM 472 CA ILE A 30 28.931 30.882 16.000 1.00 0.00 C ATOM 473 C ILE A 30 30.326 31.250 15.499 1.00 0.00 C ATOM 474 O ILE A 30 30.945 32.189 15.996 1.00 0.00 O ATOM 475 CB ILE A 30 28.936 29.777 17.066 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.623 29.741 17.850 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.086 29.918 18.064 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.367 28.396 18.532 1.00 0.00 C ATOM 0 H ILE A 30 27.775 29.567 14.927 1.00 0.00 H new ATOM 0 HA ILE A 30 28.595 31.809 16.464 1.00 0.00 H new ATOM 0 HB ILE A 30 29.065 28.848 16.511 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.636 30.527 18.605 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.797 29.962 17.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.037 29.109 18.793 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.037 29.871 17.533 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.005 30.875 18.579 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.421 28.436 19.071 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.323 27.609 17.779 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.175 28.184 19.232 1.00 0.00 H new ATOM 490 N GLN A 31 30.858 30.577 14.481 1.00 0.00 N ATOM 491 CA GLN A 31 31.972 30.970 13.643 1.00 0.00 C ATOM 492 C GLN A 31 31.807 32.384 13.065 1.00 0.00 C ATOM 493 O GLN A 31 32.752 33.169 13.100 1.00 0.00 O ATOM 494 CB GLN A 31 32.224 30.016 12.473 1.00 0.00 C ATOM 495 CG GLN A 31 33.593 30.130 11.786 1.00 0.00 C ATOM 496 CD GLN A 31 33.694 29.334 10.497 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.775 28.878 10.135 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.685 29.022 9.687 1.00 0.00 N ATOM 0 H GLN A 31 30.485 29.669 14.204 1.00 0.00 H new ATOM 0 HA GLN A 31 32.827 30.939 14.318 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.106 28.994 12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.450 30.181 11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.797 31.179 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.366 29.789 12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.743 29.351 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.854 28.454 8.857 1.00 0.00 H new ATOM 507 N ASP A 32 30.584 32.735 12.704 1.00 0.00 N ATOM 508 CA ASP A 32 30.266 34.038 12.150 1.00 0.00 C ATOM 509 C ASP A 32 30.329 35.145 13.213 1.00 0.00 C ATOM 510 O ASP A 32 30.704 36.275 12.903 1.00 0.00 O ATOM 511 CB ASP A 32 28.843 34.096 11.603 1.00 0.00 C ATOM 512 CG ASP A 32 28.696 35.108 10.484 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.710 35.573 9.927 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.526 35.535 10.338 1.00 0.00 O ATOM 0 H ASP A 32 29.777 32.117 12.789 1.00 0.00 H new ATOM 0 HA ASP A 32 31.005 34.191 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.556 33.110 11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.156 34.349 12.411 1.00 0.00 H new ATOM 519 N LYS A 33 29.882 34.845 14.428 1.00 0.00 N ATOM 520 CA LYS A 33 29.828 35.680 15.616 1.00 0.00 C ATOM 521 C LYS A 33 31.202 35.843 16.257 1.00 0.00 C ATOM 522 O LYS A 33 31.637 36.981 16.415 1.00 0.00 O ATOM 523 CB LYS A 33 28.931 35.113 16.707 1.00 0.00 C ATOM 524 CG LYS A 33 27.477 35.304 16.296 1.00 0.00 C ATOM 525 CD LYS A 33 26.940 36.729 16.433 1.00 0.00 C ATOM 526 CE LYS A 33 25.428 36.873 16.323 1.00 0.00 C ATOM 527 NZ LYS A 33 25.040 36.960 14.901 1.00 0.00 N ATOM 0 H LYS A 33 29.511 33.915 14.621 1.00 0.00 H new ATOM 0 HA LYS A 33 29.434 36.630 15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.144 34.055 16.859 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.125 35.616 17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.366 34.990 15.258 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.856 34.640 16.898 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.256 37.127 17.397 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.403 37.349 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.936 36.021 16.793 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.098 37.765 16.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.007 37.058 14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.498 37.786 14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.341 36.097 14.406 1.00 0.00 H new ATOM 541 N GLU A 34 31.885 34.731 16.514 1.00 0.00 N ATOM 542 CA GLU A 34 32.979 34.635 17.450 1.00 0.00 C ATOM 543 C GLU A 34 34.164 33.877 16.848 1.00 0.00 C ATOM 544 O GLU A 34 35.191 33.636 17.468 1.00 0.00 O ATOM 545 CB GLU A 34 32.395 33.861 18.638 1.00 0.00 C ATOM 546 CG GLU A 34 31.704 34.701 19.712 1.00 0.00 C ATOM 547 CD GLU A 34 32.667 35.546 20.533 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.496 34.960 21.267 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.611 36.793 20.463 1.00 0.00 O ATOM 0 H GLU A 34 31.677 33.845 16.054 1.00 0.00 H new ATOM 0 HA GLU A 34 33.362 35.616 17.731 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.677 33.135 18.255 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.200 33.296 19.109 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.973 35.355 19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.152 34.040 20.380 1.00 0.00 H new ATOM 556 N GLY A 35 34.074 33.408 15.602 1.00 0.00 N ATOM 557 CA GLY A 35 35.225 33.031 14.823 1.00 0.00 C ATOM 558 C GLY A 35 35.557 31.538 14.864 1.00 0.00 C ATOM 559 O GLY A 35 36.293 31.009 14.040 1.00 0.00 O ATOM 0 H GLY A 35 33.187 33.283 15.113 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.059 33.325 13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.089 33.592 15.179 1.00 0.00 H new ATOM 563 N ILE A 36 35.145 30.782 15.884 1.00 0.00 N ATOM 564 CA ILE A 36 35.562 29.419 16.097 1.00 0.00 C ATOM 565 C ILE A 36 34.929 28.455 15.085 1.00 0.00 C ATOM 566 O ILE A 36 33.704 28.497 15.023 1.00 0.00 O ATOM 567 CB ILE A 36 35.252 28.999 17.541 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.673 29.963 18.650 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.864 27.640 17.882 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.986 29.634 19.972 1.00 0.00 C ATOM 0 H ILE A 36 34.497 31.121 16.595 1.00 0.00 H new ATOM 0 HA ILE A 36 36.639 29.367 15.938 1.00 0.00 H new ATOM 0 HB ILE A 36 34.162 28.980 17.531 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.754 29.918 18.780 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.429 30.984 18.357 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.621 27.380 18.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.461 26.881 17.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.947 27.689 17.766 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.310 30.340 20.736 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.905 29.704 19.848 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.251 28.622 20.278 1.00 0.00 H new ATOM 582 N PRO A 37 35.698 27.733 14.274 1.00 0.00 N ATOM 583 CA PRO A 37 35.187 26.890 13.207 1.00 0.00 C ATOM 584 C PRO A 37 34.515 25.641 13.779 1.00 0.00 C ATOM 585 O PRO A 37 34.995 25.093 14.780 1.00 0.00 O ATOM 586 CB PRO A 37 36.335 26.538 12.256 1.00 0.00 C ATOM 587 CG PRO A 37 37.477 26.337 13.250 1.00 0.00 C ATOM 588 CD PRO A 37 37.123 27.448 14.241 1.00 0.00 C ATOM 0 HA PRO A 37 34.424 27.428 12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.130 25.639 11.675 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.542 27.337 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.470 25.347 13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.459 26.473 12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.456 27.160 15.238 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.665 28.355 13.974 1.00 0.00 H new ATOM 596 N PRO A 38 33.422 25.153 13.218 1.00 0.00 N ATOM 597 CA PRO A 38 32.753 23.942 13.665 1.00 0.00 C ATOM 598 C PRO A 38 33.593 22.779 14.189 1.00 0.00 C ATOM 599 O PRO A 38 33.364 22.339 15.318 1.00 0.00 O ATOM 600 CB PRO A 38 31.823 23.525 12.528 1.00 0.00 C ATOM 601 CG PRO A 38 31.455 24.826 11.822 1.00 0.00 C ATOM 602 CD PRO A 38 32.691 25.683 12.080 1.00 0.00 C ATOM 0 HA PRO A 38 32.232 24.204 14.586 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.318 22.833 11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.936 23.018 12.909 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.276 24.677 10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 38 30.553 25.275 12.237 1.00 0.00 H new ATOM 0 HD2 PRO A 38 33.330 25.693 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 38 32.397 26.715 12.272 1.00 0.00 H new ATOM 610 N ASP A 39 34.697 22.475 13.512 1.00 0.00 N ATOM 611 CA ASP A 39 35.615 21.430 13.935 1.00 0.00 C ATOM 612 C ASP A 39 36.242 21.589 15.323 1.00 0.00 C ATOM 613 O ASP A 39 36.689 20.609 15.921 1.00 0.00 O ATOM 614 CB ASP A 39 36.712 21.419 12.865 1.00 0.00 C ATOM 615 CG ASP A 39 37.640 20.223 12.877 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.124 19.089 12.738 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.872 20.333 13.083 1.00 0.00 O ATOM 0 H ASP A 39 34.978 22.949 12.654 1.00 0.00 H new ATOM 0 HA ASP A 39 35.052 20.501 14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.237 21.475 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.313 22.321 12.980 1.00 0.00 H new ATOM 622 N GLN A 40 36.200 22.804 15.853 1.00 0.00 N ATOM 623 CA GLN A 40 36.947 23.103 17.054 1.00 0.00 C ATOM 624 C GLN A 40 35.975 23.541 18.164 1.00 0.00 C ATOM 625 O GLN A 40 36.450 23.853 19.250 1.00 0.00 O ATOM 626 CB GLN A 40 37.878 24.284 16.801 1.00 0.00 C ATOM 627 CG GLN A 40 39.038 23.932 15.871 1.00 0.00 C ATOM 628 CD GLN A 40 40.017 25.038 15.549 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.061 26.081 16.199 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.747 24.732 14.478 1.00 0.00 N ATOM 0 H GLN A 40 35.664 23.584 15.473 1.00 0.00 H new ATOM 0 HA GLN A 40 37.508 22.214 17.341 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.307 25.105 16.368 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.275 24.639 17.752 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.593 23.107 16.318 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.621 23.564 14.933 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.624 23.830 14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.430 25.399 14.118 1.00 0.00 H new ATOM 639 N GLN A 41 34.673 23.566 17.921 1.00 0.00 N ATOM 640 CA GLN A 41 33.691 23.824 18.962 1.00 0.00 C ATOM 641 C GLN A 41 33.236 22.602 19.757 1.00 0.00 C ATOM 642 O GLN A 41 33.067 21.544 19.149 1.00 0.00 O ATOM 643 CB GLN A 41 32.432 24.371 18.299 1.00 0.00 C ATOM 644 CG GLN A 41 32.811 25.647 17.564 1.00 0.00 C ATOM 645 CD GLN A 41 31.553 26.441 17.232 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.458 26.229 17.743 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.679 27.356 16.271 1.00 0.00 N ATOM 0 H GLN A 41 34.269 23.408 16.998 1.00 0.00 H new ATOM 0 HA GLN A 41 34.185 24.505 19.656 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.017 23.640 17.606 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.664 24.574 19.046 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.480 26.248 18.180 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.352 25.404 16.649 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.591 27.530 15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.863 27.883 15.958 1.00 0.00 H new ATOM 656 N ARG A 42 32.835 22.740 21.014 1.00 0.00 N ATOM 657 CA ARG A 42 31.870 21.888 21.693 1.00 0.00 C ATOM 658 C ARG A 42 30.850 22.773 22.416 1.00 0.00 C ATOM 659 O ARG A 42 31.260 23.707 23.105 1.00 0.00 O ATOM 660 CB ARG A 42 32.551 20.963 22.687 1.00 0.00 C ATOM 661 CG ARG A 42 33.033 19.679 22.011 1.00 0.00 C ATOM 662 CD ARG A 42 33.392 18.655 23.092 1.00 0.00 C ATOM 663 NE ARG A 42 33.651 17.395 22.404 1.00 0.00 N ATOM 664 CZ ARG A 42 34.587 16.444 22.521 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.588 16.717 23.381 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.580 15.316 21.808 1.00 0.00 N ATOM 0 H ARG A 42 33.191 23.484 21.615 1.00 0.00 H new ATOM 0 HA ARG A 42 31.369 21.265 20.952 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.398 21.476 23.143 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.857 20.715 23.491 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.256 19.282 21.358 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.900 19.886 21.384 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.269 18.977 23.654 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.577 18.545 23.807 1.00 0.00 H new ATOM 0 HE ARG A 42 32.969 17.194 21.673 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.596 17.601 23.890 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.337 16.040 23.523 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.835 15.144 21.132 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.319 14.626 21.939 1.00 0.00 H new ATOM 680 N LEU A 43 29.580 22.489 22.172 1.00 0.00 N ATOM 681 CA LEU A 43 28.472 23.178 22.805 1.00 0.00 C ATOM 682 C LEU A 43 27.893 22.155 23.779 1.00 0.00 C ATOM 683 O LEU A 43 27.424 21.092 23.401 1.00 0.00 O ATOM 684 CB LEU A 43 27.393 23.614 21.818 1.00 0.00 C ATOM 685 CG LEU A 43 27.862 24.394 20.585 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.658 24.543 19.654 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.625 25.675 20.931 1.00 0.00 C ATOM 0 H LEU A 43 29.288 21.762 21.519 1.00 0.00 H new ATOM 0 HA LEU A 43 28.816 24.096 23.281 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.865 22.724 21.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.670 24.228 22.354 1.00 0.00 H new ATOM 0 HG LEU A 43 28.630 23.845 20.040 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.954 25.095 18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.296 23.556 19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.865 25.084 20.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.928 26.178 20.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.982 26.336 21.511 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.510 25.425 21.516 1.00 0.00 H new ATOM 699 N ILE A 44 27.697 22.519 25.047 1.00 0.00 N ATOM 700 CA ILE A 44 26.918 21.864 26.078 1.00 0.00 C ATOM 701 C ILE A 44 25.707 22.733 26.421 1.00 0.00 C ATOM 702 O ILE A 44 25.767 23.932 26.639 1.00 0.00 O ATOM 703 CB ILE A 44 27.951 21.808 27.209 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.011 20.757 26.874 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.418 21.532 28.622 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.426 21.312 26.950 1.00 0.00 C ATOM 0 H ILE A 44 28.129 23.370 25.406 1.00 0.00 H new ATOM 0 HA ILE A 44 26.501 20.888 25.829 1.00 0.00 H new ATOM 0 HB ILE A 44 28.351 22.821 27.253 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.916 19.917 27.563 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.830 20.369 25.872 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.248 21.518 29.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.714 22.315 28.905 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.912 20.567 28.638 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.139 20.525 26.703 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.533 22.134 26.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.621 21.675 27.959 1.00 0.00 H new ATOM 718 N PHE A 45 24.512 22.136 26.404 1.00 0.00 N ATOM 719 CA PHE A 45 23.271 22.836 26.659 1.00 0.00 C ATOM 720 C PHE A 45 23.135 22.940 28.173 1.00 0.00 C ATOM 721 O PHE A 45 22.547 23.896 28.686 1.00 0.00 O ATOM 722 CB PHE A 45 21.965 22.239 26.133 1.00 0.00 C ATOM 723 CG PHE A 45 21.727 20.840 26.656 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.485 19.780 26.143 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.697 20.550 27.569 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.179 18.446 26.441 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.345 19.215 27.790 1.00 0.00 C ATOM 728 CZ PHE A 45 21.005 18.163 27.158 1.00 0.00 C ATOM 0 H PHE A 45 24.388 21.142 26.210 1.00 0.00 H new ATOM 0 HA PHE A 45 23.371 23.772 26.109 1.00 0.00 H new ATOM 0 HB2 PHE A 45 21.132 22.880 26.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.989 22.219 25.043 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.326 19.997 25.502 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.186 21.346 28.091 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.835 17.648 26.125 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.537 18.992 28.471 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.623 17.155 27.218 1.00 0.00 H new ATOM 738 N ALA A 46 23.559 21.921 28.916 1.00 0.00 N ATOM 739 CA ALA A 46 23.628 21.918 30.355 1.00 0.00 C ATOM 740 C ALA A 46 24.794 21.204 31.056 1.00 0.00 C ATOM 741 O ALA A 46 25.747 21.865 31.451 1.00 0.00 O ATOM 742 CB ALA A 46 22.264 21.536 30.928 1.00 0.00 C ATOM 0 H ALA A 46 23.875 21.043 28.504 1.00 0.00 H new ATOM 0 HA ALA A 46 23.891 22.948 30.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.315 21.533 32.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.517 22.259 30.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.986 20.543 30.575 1.00 0.00 H new ATOM 748 N GLY A 47 24.885 19.882 30.981 1.00 0.00 N ATOM 749 CA GLY A 47 26.049 19.084 31.306 1.00 0.00 C ATOM 750 C GLY A 47 26.466 18.116 30.191 1.00 0.00 C ATOM 751 O GLY A 47 27.631 17.707 30.184 1.00 0.00 O ATOM 0 H GLY A 47 24.099 19.309 30.673 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.884 19.749 31.528 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.846 18.514 32.212 1.00 0.00 H new ATOM 755 N LYS A 48 25.513 17.745 29.350 1.00 0.00 N ATOM 756 CA LYS A 48 25.620 16.824 28.228 1.00 0.00 C ATOM 757 C LYS A 48 25.890 17.674 26.991 1.00 0.00 C ATOM 758 O LYS A 48 25.302 18.737 26.816 1.00 0.00 O ATOM 759 CB LYS A 48 24.339 16.020 28.009 1.00 0.00 C ATOM 760 CG LYS A 48 23.978 15.287 29.298 1.00 0.00 C ATOM 761 CD LYS A 48 22.633 14.566 29.226 1.00 0.00 C ATOM 762 CE LYS A 48 22.602 13.612 30.413 1.00 0.00 C ATOM 763 NZ LYS A 48 21.438 12.701 30.405 1.00 0.00 N ATOM 0 H LYS A 48 24.565 18.111 29.442 1.00 0.00 H new ATOM 0 HA LYS A 48 26.415 16.105 28.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.526 16.683 27.714 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.478 15.306 27.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.759 14.562 29.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.956 16.002 30.120 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.807 15.276 29.275 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.532 14.023 28.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.517 13.020 30.417 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.593 14.192 31.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.478 12.080 31.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.561 13.259 30.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.456 12.123 29.541 1.00 0.00 H new ATOM 777 N GLN A 49 26.749 17.194 26.095 1.00 0.00 N ATOM 778 CA GLN A 49 27.106 17.722 24.792 1.00 0.00 C ATOM 779 C GLN A 49 26.000 17.597 23.749 1.00 0.00 C ATOM 780 O GLN A 49 25.302 16.581 23.669 1.00 0.00 O ATOM 781 CB GLN A 49 28.290 16.905 24.253 1.00 0.00 C ATOM 782 CG GLN A 49 28.866 17.331 22.910 1.00 0.00 C ATOM 783 CD GLN A 49 30.123 16.576 22.473 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.898 17.122 21.690 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.245 15.314 22.840 1.00 0.00 N ATOM 0 H GLN A 49 27.263 16.335 26.290 1.00 0.00 H new ATOM 0 HA GLN A 49 27.323 18.780 24.940 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.091 16.940 24.992 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.976 15.864 24.173 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.099 17.201 22.146 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.097 18.395 22.953 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.576 14.906 23.493 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.008 14.747 22.471 1.00 0.00 H new ATOM 794 N LEU A 50 25.843 18.627 22.926 1.00 0.00 N ATOM 795 CA LEU A 50 24.991 18.666 21.765 1.00 0.00 C ATOM 796 C LEU A 50 25.822 18.267 20.545 1.00 0.00 C ATOM 797 O LEU A 50 26.677 19.045 20.101 1.00 0.00 O ATOM 798 CB LEU A 50 24.557 20.122 21.555 1.00 0.00 C ATOM 799 CG LEU A 50 23.663 20.744 22.622 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.655 22.272 22.652 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.231 20.213 22.694 1.00 0.00 C ATOM 0 H LEU A 50 26.341 19.505 23.068 1.00 0.00 H new ATOM 0 HA LEU A 50 24.136 18.002 21.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.455 20.733 21.469 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.036 20.185 20.600 1.00 0.00 H new ATOM 0 HG LEU A 50 24.169 20.396 23.523 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.990 22.617 23.444 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.664 22.637 22.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.305 22.653 21.693 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.691 20.729 23.488 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.730 20.388 21.742 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.250 19.143 22.903 1.00 0.00 H new ATOM 813 N GLU A 51 25.685 17.016 20.121 1.00 0.00 N ATOM 814 CA GLU A 51 26.667 16.274 19.345 1.00 0.00 C ATOM 815 C GLU A 51 26.297 16.477 17.872 1.00 0.00 C ATOM 816 O GLU A 51 25.168 16.424 17.392 1.00 0.00 O ATOM 817 CB GLU A 51 26.620 14.824 19.803 1.00 0.00 C ATOM 818 CG GLU A 51 27.913 14.025 19.673 1.00 0.00 C ATOM 819 CD GLU A 51 27.789 12.523 19.925 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.893 11.841 19.375 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.423 12.057 20.891 1.00 0.00 O ATOM 0 H GLU A 51 24.848 16.468 20.319 1.00 0.00 H new ATOM 0 HA GLU A 51 27.694 16.611 19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.312 14.807 20.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.844 14.312 19.234 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.313 14.175 18.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.643 14.433 20.372 1.00 0.00 H new ATOM 828 N ASP A 52 27.332 16.608 17.048 1.00 0.00 N ATOM 829 CA ASP A 52 27.391 16.666 15.603 1.00 0.00 C ATOM 830 C ASP A 52 26.827 15.358 15.041 1.00 0.00 C ATOM 831 O ASP A 52 27.117 14.225 15.412 1.00 0.00 O ATOM 832 CB ASP A 52 28.812 16.676 15.029 1.00 0.00 C ATOM 833 CG ASP A 52 29.693 17.762 15.638 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.908 17.691 16.865 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.092 18.683 14.885 1.00 0.00 O ATOM 0 H ASP A 52 28.271 16.686 17.438 1.00 0.00 H new ATOM 0 HA ASP A 52 26.858 17.579 15.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.274 15.703 15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.761 16.820 13.950 1.00 0.00 H new ATOM 840 N GLY A 53 25.954 15.555 14.058 1.00 0.00 N ATOM 841 CA GLY A 53 25.275 14.572 13.240 1.00 0.00 C ATOM 842 C GLY A 53 23.738 14.630 13.278 1.00 0.00 C ATOM 843 O GLY A 53 23.063 14.016 12.452 1.00 0.00 O ATOM 0 H GLY A 53 25.682 16.502 13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.601 14.696 12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.592 13.579 13.557 1.00 0.00 H new ATOM 847 N ARG A 54 23.250 15.350 14.283 1.00 0.00 N ATOM 848 CA ARG A 54 21.896 15.370 14.818 1.00 0.00 C ATOM 849 C ARG A 54 21.328 16.784 14.811 1.00 0.00 C ATOM 850 O ARG A 54 21.943 17.754 14.365 1.00 0.00 O ATOM 851 CB ARG A 54 21.874 14.790 16.235 1.00 0.00 C ATOM 852 CG ARG A 54 22.236 13.309 16.389 1.00 0.00 C ATOM 853 CD ARG A 54 21.870 12.696 17.745 1.00 0.00 C ATOM 854 NE ARG A 54 23.090 12.341 18.458 1.00 0.00 N ATOM 855 CZ ARG A 54 23.182 11.843 19.697 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.041 11.620 20.352 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.369 11.622 20.289 1.00 0.00 N ATOM 0 H ARG A 54 23.853 15.997 14.792 1.00 0.00 H new ATOM 0 HA ARG A 54 21.268 14.751 14.178 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.561 15.372 16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.875 14.939 16.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.735 12.743 15.603 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.308 13.193 16.231 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.285 13.405 18.332 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.249 11.812 17.602 1.00 0.00 H new ATOM 0 HE ARG A 54 23.968 12.488 17.960 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.148 11.828 19.906 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.062 11.241 21.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.234 11.835 19.792 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.404 11.241 21.235 1.00 0.00 H new ATOM 871 N THR A 55 20.087 16.970 15.265 1.00 0.00 N ATOM 872 CA THR A 55 19.423 18.250 15.298 1.00 0.00 C ATOM 873 C THR A 55 19.152 18.643 16.746 1.00 0.00 C ATOM 874 O THR A 55 19.151 17.821 17.663 1.00 0.00 O ATOM 875 CB THR A 55 18.141 18.164 14.455 1.00 0.00 C ATOM 876 OG1 THR A 55 17.106 17.447 15.097 1.00 0.00 O ATOM 877 CG2 THR A 55 18.219 17.451 13.112 1.00 0.00 C ATOM 0 H THR A 55 19.512 16.209 15.626 1.00 0.00 H new ATOM 0 HA THR A 55 20.051 19.030 14.868 1.00 0.00 H new ATOM 0 HB THR A 55 17.963 19.230 14.315 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.457 16.595 15.431 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.240 17.470 12.633 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.945 17.955 12.474 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.527 16.417 13.266 1.00 0.00 H new ATOM 885 N LEU A 56 18.839 19.920 16.955 1.00 0.00 N ATOM 886 CA LEU A 56 18.452 20.412 18.263 1.00 0.00 C ATOM 887 C LEU A 56 17.052 19.936 18.648 1.00 0.00 C ATOM 888 O LEU A 56 16.718 19.948 19.839 1.00 0.00 O ATOM 889 CB LEU A 56 18.342 21.935 18.351 1.00 0.00 C ATOM 890 CG LEU A 56 19.626 22.763 18.311 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.357 24.243 18.536 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.656 22.399 19.377 1.00 0.00 C ATOM 0 H LEU A 56 18.848 20.633 16.225 1.00 0.00 H new ATOM 0 HA LEU A 56 19.242 20.034 18.912 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.706 22.269 17.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.821 22.177 19.277 1.00 0.00 H new ATOM 0 HG LEU A 56 20.016 22.543 17.317 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.297 24.793 18.499 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.689 24.614 17.759 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.892 24.384 19.512 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.532 23.039 19.270 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.221 22.541 20.366 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.951 21.357 19.257 1.00 0.00 H new ATOM 904 N SER A 57 16.283 19.426 17.687 1.00 0.00 N ATOM 905 CA SER A 57 14.936 18.897 17.775 1.00 0.00 C ATOM 906 C SER A 57 15.033 17.548 18.493 1.00 0.00 C ATOM 907 O SER A 57 14.168 17.279 19.315 1.00 0.00 O ATOM 908 CB SER A 57 14.243 18.838 16.412 1.00 0.00 C ATOM 909 OG SER A 57 12.888 18.471 16.519 1.00 0.00 O ATOM 0 H SER A 57 16.632 19.371 16.730 1.00 0.00 H new ATOM 0 HA SER A 57 14.291 19.560 18.352 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.317 19.811 15.927 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.762 18.123 15.773 1.00 0.00 H new ATOM 0 HG SER A 57 12.484 18.447 15.626 1.00 0.00 H new ATOM 915 N ASP A 58 16.090 16.770 18.286 1.00 0.00 N ATOM 916 CA ASP A 58 16.434 15.542 18.966 1.00 0.00 C ATOM 917 C ASP A 58 16.427 15.661 20.491 1.00 0.00 C ATOM 918 O ASP A 58 15.909 14.806 21.221 1.00 0.00 O ATOM 919 CB ASP A 58 17.623 14.748 18.425 1.00 0.00 C ATOM 920 CG ASP A 58 17.606 14.367 16.959 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.823 13.424 16.677 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.238 14.948 16.053 1.00 0.00 O ATOM 0 H ASP A 58 16.782 17.009 17.576 1.00 0.00 H new ATOM 0 HA ASP A 58 15.594 14.902 18.695 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.527 15.329 18.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.708 13.832 19.009 1.00 0.00 H new ATOM 927 N TYR A 59 16.874 16.828 20.929 1.00 0.00 N ATOM 928 CA TYR A 59 16.938 17.163 22.337 1.00 0.00 C ATOM 929 C TYR A 59 15.801 18.112 22.704 1.00 0.00 C ATOM 930 O TYR A 59 15.852 18.490 23.871 1.00 0.00 O ATOM 931 CB TYR A 59 18.211 17.964 22.597 1.00 0.00 C ATOM 932 CG TYR A 59 19.556 17.356 22.286 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.037 17.183 20.976 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.280 16.885 23.393 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.263 16.537 20.762 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.494 16.233 23.176 1.00 0.00 C ATOM 937 CZ TYR A 59 21.991 16.117 21.878 1.00 0.00 C ATOM 938 OH TYR A 59 23.120 15.364 21.726 1.00 0.00 O ATOM 0 H TYR A 59 17.203 17.571 20.312 1.00 0.00 H new ATOM 0 HA TYR A 59 16.893 16.234 22.906 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.134 18.891 22.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.214 18.237 23.652 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.463 17.547 20.136 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.903 17.025 24.395 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.634 16.369 19.762 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.046 15.821 24.008 1.00 0.00 H new ATOM 0 HH TYR A 59 23.825 15.709 22.313 1.00 0.00 H new ATOM 948 N ASN A 60 14.866 18.484 21.828 1.00 0.00 N ATOM 949 CA ASN A 60 13.744 19.401 21.872 1.00 0.00 C ATOM 950 C ASN A 60 13.966 20.642 22.736 1.00 0.00 C ATOM 951 O ASN A 60 13.454 20.744 23.856 1.00 0.00 O ATOM 952 CB ASN A 60 12.415 18.674 22.110 1.00 0.00 C ATOM 953 CG ASN A 60 12.193 17.742 23.296 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.882 16.560 23.159 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.521 18.219 24.492 1.00 0.00 N ATOM 0 H ASN A 60 14.898 18.060 20.901 1.00 0.00 H new ATOM 0 HA ASN A 60 13.668 19.828 20.872 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.645 19.443 22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.214 18.090 21.212 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.516 17.604 25.305 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.778 19.201 24.597 1.00 0.00 H new ATOM 962 N ILE A 61 14.937 21.432 22.291 1.00 0.00 N ATOM 963 CA ILE A 61 15.389 22.648 22.941 1.00 0.00 C ATOM 964 C ILE A 61 14.365 23.736 22.626 1.00 0.00 C ATOM 965 O ILE A 61 13.868 23.854 21.512 1.00 0.00 O ATOM 966 CB ILE A 61 16.742 23.100 22.395 1.00 0.00 C ATOM 967 CG1 ILE A 61 17.714 21.926 22.545 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.260 24.435 22.922 1.00 0.00 C ATOM 969 CD1 ILE A 61 17.962 21.392 23.960 1.00 0.00 C ATOM 0 H ILE A 61 15.449 21.231 21.432 1.00 0.00 H new ATOM 0 HA ILE A 61 15.491 22.468 24.011 1.00 0.00 H new ATOM 0 HB ILE A 61 16.626 23.347 21.340 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.344 21.102 21.934 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.674 22.228 22.126 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.226 24.655 22.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.552 25.225 22.671 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.373 24.380 24.005 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.669 20.564 23.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.372 22.187 24.582 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.022 21.045 24.388 1.00 0.00 H new ATOM 981 N GLN A 62 13.987 24.524 23.631 1.00 0.00 N ATOM 982 CA GLN A 62 13.026 25.608 23.532 1.00 0.00 C ATOM 983 C GLN A 62 13.821 26.911 23.438 1.00 0.00 C ATOM 984 O GLN A 62 15.005 26.926 23.777 1.00 0.00 O ATOM 985 CB GLN A 62 12.279 25.635 24.870 1.00 0.00 C ATOM 986 CG GLN A 62 11.541 24.343 25.207 1.00 0.00 C ATOM 987 CD GLN A 62 10.519 23.957 24.143 1.00 0.00 C ATOM 988 OE1 GLN A 62 9.669 24.716 23.688 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.672 22.712 23.692 1.00 0.00 N ATOM 0 H GLN A 62 14.361 24.415 24.574 1.00 0.00 H new ATOM 0 HA GLN A 62 12.355 25.489 22.681 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.992 25.850 25.666 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.562 26.455 24.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.264 23.535 25.321 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.036 24.457 26.166 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.389 22.109 24.094 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.072 22.363 22.945 1.00 0.00 H new ATOM 998 N LYS A 63 13.071 27.969 23.167 1.00 0.00 N ATOM 999 CA LYS A 63 13.644 29.263 22.834 1.00 0.00 C ATOM 1000 C LYS A 63 14.366 29.809 24.075 1.00 0.00 C ATOM 1001 O LYS A 63 13.897 29.527 25.178 1.00 0.00 O ATOM 1002 CB LYS A 63 12.552 30.240 22.398 1.00 0.00 C ATOM 1003 CG LYS A 63 11.475 30.408 23.453 1.00 0.00 C ATOM 1004 CD LYS A 63 10.414 31.445 23.096 1.00 0.00 C ATOM 1005 CE LYS A 63 9.336 31.569 24.177 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.793 32.343 25.344 1.00 0.00 N ATOM 0 H LYS A 63 12.051 27.954 23.172 1.00 0.00 H new ATOM 0 HA LYS A 63 14.346 29.148 22.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.000 31.210 22.182 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.099 29.885 21.472 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.988 29.447 23.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.944 30.693 24.395 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.891 32.414 22.949 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.947 31.173 22.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.453 32.046 23.752 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.035 30.573 24.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.982 32.827 25.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.226 31.701 26.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.494 33.048 25.040 1.00 0.00 H new ATOM 1020 N GLU A 64 15.465 30.539 23.967 1.00 0.00 N ATOM 1021 CA GLU A 64 16.103 31.232 25.068 1.00 0.00 C ATOM 1022 C GLU A 64 16.681 30.294 26.138 1.00 0.00 C ATOM 1023 O GLU A 64 16.958 30.756 27.240 1.00 0.00 O ATOM 1024 CB GLU A 64 15.178 32.200 25.794 1.00 0.00 C ATOM 1025 CG GLU A 64 14.328 33.063 24.854 1.00 0.00 C ATOM 1026 CD GLU A 64 13.020 33.554 25.433 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.921 33.782 26.664 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.998 33.565 24.715 1.00 0.00 O ATOM 0 H GLU A 64 15.951 30.668 23.080 1.00 0.00 H new ATOM 0 HA GLU A 64 16.908 31.775 24.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.517 31.634 26.450 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.776 32.852 26.430 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.918 33.927 24.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.114 32.488 23.953 1.00 0.00 H new ATOM 1035 N SER A 65 16.874 29.015 25.826 1.00 0.00 N ATOM 1036 CA SER A 65 17.734 28.146 26.604 1.00 0.00 C ATOM 1037 C SER A 65 19.165 28.674 26.541 1.00 0.00 C ATOM 1038 O SER A 65 19.593 29.248 25.548 1.00 0.00 O ATOM 1039 CB SER A 65 17.628 26.733 26.033 1.00 0.00 C ATOM 1040 OG SER A 65 16.351 26.152 26.147 1.00 0.00 O ATOM 0 H SER A 65 16.436 28.558 25.026 1.00 0.00 H new ATOM 0 HA SER A 65 17.432 28.123 27.651 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.909 26.758 24.980 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.351 26.094 26.541 1.00 0.00 H new ATOM 0 HG SER A 65 15.817 26.378 25.357 1.00 0.00 H new ATOM 1046 N THR A 66 19.915 28.463 27.620 1.00 0.00 N ATOM 1047 CA THR A 66 21.268 28.899 27.872 1.00 0.00 C ATOM 1048 C THR A 66 22.215 27.721 27.602 1.00 0.00 C ATOM 1049 O THR A 66 22.237 26.778 28.387 1.00 0.00 O ATOM 1050 CB THR A 66 21.444 29.339 29.326 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.906 30.627 29.529 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.906 29.489 29.741 1.00 0.00 C ATOM 0 H THR A 66 19.547 27.931 28.409 1.00 0.00 H new ATOM 0 HA THR A 66 21.490 29.745 27.222 1.00 0.00 H new ATOM 0 HB THR A 66 20.947 28.559 29.903 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.028 30.888 30.466 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.958 29.803 30.783 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.417 28.533 29.624 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.388 30.238 29.112 1.00 0.00 H new ATOM 1060 N LEU A 67 22.967 27.741 26.507 1.00 0.00 N ATOM 1061 CA LEU A 67 24.037 26.779 26.304 1.00 0.00 C ATOM 1062 C LEU A 67 25.396 27.364 26.710 1.00 0.00 C ATOM 1063 O LEU A 67 25.551 28.582 26.671 1.00 0.00 O ATOM 1064 CB LEU A 67 24.173 26.388 24.840 1.00 0.00 C ATOM 1065 CG LEU A 67 22.962 26.394 23.907 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.344 25.770 22.569 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.743 25.631 24.436 1.00 0.00 C ATOM 0 H LEU A 67 22.853 28.413 25.748 1.00 0.00 H new ATOM 0 HA LEU A 67 23.775 25.916 26.916 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.918 27.051 24.400 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.589 25.381 24.816 1.00 0.00 H new ATOM 0 HG LEU A 67 22.678 27.442 23.817 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.480 25.775 21.905 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.152 26.345 22.117 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.674 24.743 22.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.933 25.689 23.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.010 24.587 24.599 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.417 26.073 25.377 1.00 0.00 H new ATOM 1079 N HIS A 68 26.393 26.538 26.974 1.00 0.00 N ATOM 1080 CA HIS A 68 27.786 26.899 27.188 1.00 0.00 C ATOM 1081 C HIS A 68 28.621 26.259 26.068 1.00 0.00 C ATOM 1082 O HIS A 68 28.208 25.247 25.521 1.00 0.00 O ATOM 1083 CB HIS A 68 28.363 26.596 28.568 1.00 0.00 C ATOM 1084 CG HIS A 68 29.290 25.455 28.890 1.00 0.00 C ATOM 1085 ND1 HIS A 68 30.667 25.497 28.658 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.050 24.406 29.740 1.00 0.00 C ATOM 1087 CE1 HIS A 68 31.184 24.515 29.409 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.241 23.737 29.945 1.00 0.00 N ATOM 0 H HIS A 68 26.243 25.532 27.050 1.00 0.00 H new ATOM 0 HA HIS A 68 27.831 27.987 27.152 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.885 27.501 28.878 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.506 26.480 29.231 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.095 24.148 30.174 1.00 0.00 H new ATOM 0 HE1 HIS A 68 32.243 24.370 29.563 1.00 0.00 H new ATOM 0 HE2 HIS A 68 30.372 22.838 30.408 1.00 0.00 H new ATOM 1096 N LEU A 69 29.785 26.815 25.736 1.00 0.00 N ATOM 1097 CA LEU A 69 30.782 26.399 24.774 1.00 0.00 C ATOM 1098 C LEU A 69 32.222 26.291 25.293 1.00 0.00 C ATOM 1099 O LEU A 69 32.530 27.068 26.196 1.00 0.00 O ATOM 1100 CB LEU A 69 30.602 27.099 23.427 1.00 0.00 C ATOM 1101 CG LEU A 69 30.583 28.634 23.416 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.997 29.239 23.425 1.00 0.00 C ATOM 1103 CD2 LEU A 69 29.915 29.047 22.107 1.00 0.00 C ATOM 0 H LEU A 69 30.079 27.675 26.199 1.00 0.00 H new ATOM 0 HA LEU A 69 30.577 25.346 24.583 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.405 26.769 22.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.667 26.749 22.990 1.00 0.00 H new ATOM 0 HG LEU A 69 30.062 28.988 24.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.927 30.327 23.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.525 28.916 24.322 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.542 28.904 22.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.875 30.135 22.046 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.490 28.658 21.267 1.00 0.00 H new ATOM 0 HD23 LEU A 69 28.903 28.644 22.072 1.00 0.00 H new ATOM 1115 N VAL A 70 33.107 25.492 24.704 1.00 0.00 N ATOM 1116 CA VAL A 70 34.526 25.321 24.950 1.00 0.00 C ATOM 1117 C VAL A 70 35.196 24.840 23.659 1.00 0.00 C ATOM 1118 O VAL A 70 34.544 24.143 22.888 1.00 0.00 O ATOM 1119 CB VAL A 70 34.675 24.381 26.140 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.984 23.024 25.961 1.00 0.00 C ATOM 1121 CG2 VAL A 70 36.119 24.152 26.568 1.00 0.00 C ATOM 0 H VAL A 70 32.802 24.875 23.951 1.00 0.00 H new ATOM 0 HA VAL A 70 35.032 26.249 25.214 1.00 0.00 H new ATOM 0 HB VAL A 70 34.160 24.920 26.935 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.139 22.416 26.853 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.916 23.177 25.807 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.405 22.512 25.096 1.00 0.00 H new ATOM 0 HG21 VAL A 70 36.143 23.473 27.420 1.00 0.00 H new ATOM 0 HG22 VAL A 70 36.679 23.716 25.741 1.00 0.00 H new ATOM 0 HG23 VAL A 70 36.570 25.103 26.850 1.00 0.00 H new ATOM 1131 N LEU A 71 36.449 25.229 23.459 1.00 0.00 N ATOM 1132 CA LEU A 71 37.428 24.789 22.487 1.00 0.00 C ATOM 1133 C LEU A 71 37.671 23.286 22.478 1.00 0.00 C ATOM 1134 O LEU A 71 38.037 22.798 23.551 1.00 0.00 O ATOM 1135 CB LEU A 71 38.780 25.465 22.724 1.00 0.00 C ATOM 1136 CG LEU A 71 38.766 26.945 22.318 1.00 0.00 C ATOM 1137 CD1 LEU A 71 40.038 27.659 22.769 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.417 27.299 20.872 1.00 0.00 C ATOM 0 H LEU A 71 36.848 25.954 24.055 1.00 0.00 H new ATOM 0 HA LEU A 71 36.998 25.072 21.526 1.00 0.00 H new ATOM 0 HB2 LEU A 71 39.047 25.381 23.778 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.550 24.942 22.158 1.00 0.00 H new ATOM 0 HG LEU A 71 37.899 27.319 22.863 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.995 28.705 22.465 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.124 27.599 23.854 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.905 27.183 22.310 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.450 28.381 20.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.136 26.832 20.199 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.415 26.937 20.640 1.00 0.00 H new