USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 -86:sc= 1.21 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.38 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= 1.17 (180deg=-0.367!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -43:sc= 1.14 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 1.21 (180deg=-0.143!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.927 (180deg=0.782) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.18) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 1.09 K(o=1.1,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.13! C(o=-3.1!,f=-12!) 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 130:sc= 0.476 USER MOD Single : A 60 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.046) USER MOD Single : A 62 GLN : amide:sc= 0.831 K(o=0.83,f=-6!) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.744 (180deg=-0.385!) USER MOD Single : A 65 SER OG : rot 96:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.235 K(o=-0.24,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.023 31.288 15.921 1.00 0.00 N ATOM 2 CA MET A 1 14.099 30.892 17.334 1.00 0.00 C ATOM 3 C MET A 1 15.414 31.448 17.897 1.00 0.00 C ATOM 4 O MET A 1 16.460 31.351 17.260 1.00 0.00 O ATOM 5 CB MET A 1 14.124 29.386 17.547 1.00 0.00 C ATOM 6 CG MET A 1 13.565 28.880 18.878 1.00 0.00 C ATOM 7 SD MET A 1 13.372 27.082 18.808 1.00 0.00 S ATOM 8 CE MET A 1 15.075 26.457 18.930 1.00 0.00 C ATOM 0 H1 MET A 1 13.097 31.015 15.533 1.00 0.00 H new ATOM 0 H2 MET A 1 14.142 32.318 15.842 1.00 0.00 H new ATOM 0 H3 MET A 1 14.776 30.811 15.386 1.00 0.00 H new ATOM 0 HA MET A 1 13.208 31.281 17.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.562 28.917 16.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.155 29.045 17.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.235 29.153 19.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.604 29.352 19.084 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.066 25.368 18.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.664 26.841 18.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.517 26.787 19.870 1.00 0.00 H new ATOM 20 N GLN A 2 15.353 32.078 19.068 1.00 0.00 N ATOM 21 CA GLN A 2 16.485 32.714 19.724 1.00 0.00 C ATOM 22 C GLN A 2 16.926 31.726 20.812 1.00 0.00 C ATOM 23 O GLN A 2 16.125 31.252 21.600 1.00 0.00 O ATOM 24 CB GLN A 2 16.023 34.000 20.407 1.00 0.00 C ATOM 25 CG GLN A 2 17.180 34.974 20.631 1.00 0.00 C ATOM 26 CD GLN A 2 16.821 36.093 21.601 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.689 36.960 21.692 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.698 36.127 22.316 1.00 0.00 N ATOM 0 H GLN A 2 14.487 32.161 19.600 1.00 0.00 H new ATOM 0 HA GLN A 2 17.280 32.954 19.017 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.257 34.480 19.797 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.562 33.757 21.365 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.042 34.428 21.015 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.477 35.407 19.676 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.003 35.388 22.210 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.532 36.893 22.969 1.00 0.00 H new ATOM 37 N ILE A 3 18.245 31.568 20.916 1.00 0.00 N ATOM 38 CA ILE A 3 19.082 30.833 21.838 1.00 0.00 C ATOM 39 C ILE A 3 20.360 31.619 22.135 1.00 0.00 C ATOM 40 O ILE A 3 20.743 32.472 21.326 1.00 0.00 O ATOM 41 CB ILE A 3 19.156 29.316 21.659 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.045 28.951 20.465 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.776 28.649 21.585 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.163 27.449 20.204 1.00 0.00 C ATOM 0 H ILE A 3 18.839 32.038 20.233 1.00 0.00 H new ATOM 0 HA ILE A 3 18.561 30.781 22.794 1.00 0.00 H new ATOM 0 HB ILE A 3 19.621 28.912 22.558 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.649 29.433 19.571 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.042 29.358 20.632 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.898 27.573 21.458 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.227 28.846 22.506 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.221 29.054 20.739 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.809 27.279 19.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.589 26.960 21.080 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.175 27.036 20.003 1.00 0.00 H new ATOM 56 N PHE A 4 20.896 31.435 23.339 1.00 0.00 N ATOM 57 CA PHE A 4 22.056 32.183 23.798 1.00 0.00 C ATOM 58 C PHE A 4 23.110 31.076 23.772 1.00 0.00 C ATOM 59 O PHE A 4 22.853 29.983 24.257 1.00 0.00 O ATOM 60 CB PHE A 4 21.851 32.631 25.244 1.00 0.00 C ATOM 61 CG PHE A 4 20.707 33.603 25.437 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.607 34.754 24.657 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.730 33.284 26.385 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.499 35.609 24.775 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.631 34.149 26.433 1.00 0.00 C ATOM 66 CZ PHE A 4 18.458 35.296 25.651 1.00 0.00 C ATOM 0 H PHE A 4 20.538 30.765 24.019 1.00 0.00 H new ATOM 0 HA PHE A 4 22.285 33.077 23.217 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.674 31.752 25.863 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.770 33.094 25.603 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.391 34.991 23.953 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.818 32.427 27.037 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.452 36.513 24.185 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.847 33.910 27.136 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.569 35.905 25.721 1.00 0.00 H new ATOM 76 N VAL A 5 24.333 31.415 23.359 1.00 0.00 N ATOM 77 CA VAL A 5 25.538 30.693 23.704 1.00 0.00 C ATOM 78 C VAL A 5 26.457 31.459 24.655 1.00 0.00 C ATOM 79 O VAL A 5 26.930 32.536 24.308 1.00 0.00 O ATOM 80 CB VAL A 5 26.198 30.363 22.368 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.590 29.730 22.500 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.322 29.444 21.509 1.00 0.00 C ATOM 0 H VAL A 5 24.507 32.222 22.760 1.00 0.00 H new ATOM 0 HA VAL A 5 25.307 29.790 24.270 1.00 0.00 H new ATOM 0 HB VAL A 5 26.316 31.331 21.880 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.992 29.525 21.508 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.254 30.417 23.026 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.514 28.798 23.060 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.829 29.234 20.567 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.144 28.510 22.041 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.370 29.934 21.307 1.00 0.00 H new ATOM 92 N LYS A 6 26.729 30.911 25.840 1.00 0.00 N ATOM 93 CA LYS A 6 27.549 31.449 26.910 1.00 0.00 C ATOM 94 C LYS A 6 28.942 30.887 26.617 1.00 0.00 C ATOM 95 O LYS A 6 29.216 29.702 26.822 1.00 0.00 O ATOM 96 CB LYS A 6 27.049 30.975 28.271 1.00 0.00 C ATOM 97 CG LYS A 6 27.518 31.776 29.483 1.00 0.00 C ATOM 98 CD LYS A 6 26.684 31.276 30.668 1.00 0.00 C ATOM 99 CE LYS A 6 26.975 32.246 31.800 1.00 0.00 C ATOM 100 NZ LYS A 6 26.555 31.622 33.065 1.00 0.00 N ATOM 0 H LYS A 6 26.344 30.000 26.091 1.00 0.00 H new ATOM 0 HA LYS A 6 27.531 32.538 26.948 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.959 30.984 28.257 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.358 29.938 28.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.582 31.624 29.663 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.371 32.844 29.325 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.622 31.263 30.424 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.960 30.258 30.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.038 32.486 31.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.441 33.183 31.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.747 32.273 33.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.537 31.413 33.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.084 30.738 33.209 1.00 0.00 H new ATOM 114 N THR A 7 29.890 31.724 26.229 1.00 0.00 N ATOM 115 CA THR A 7 31.284 31.350 26.088 1.00 0.00 C ATOM 116 C THR A 7 31.996 30.978 27.392 1.00 0.00 C ATOM 117 O THR A 7 31.600 31.280 28.514 1.00 0.00 O ATOM 118 CB THR A 7 32.017 32.485 25.383 1.00 0.00 C ATOM 119 OG1 THR A 7 32.072 33.637 26.198 1.00 0.00 O ATOM 120 CG2 THR A 7 31.580 32.670 23.928 1.00 0.00 C ATOM 0 H THR A 7 29.707 32.701 25.999 1.00 0.00 H new ATOM 0 HA THR A 7 31.303 30.432 25.501 1.00 0.00 H new ATOM 0 HB THR A 7 33.064 32.209 25.255 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.256 34.165 26.073 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.139 33.493 23.482 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.776 31.754 23.370 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.514 32.895 23.894 1.00 0.00 H new ATOM 128 N LEU A 8 33.143 30.294 27.281 1.00 0.00 N ATOM 129 CA LEU A 8 33.976 29.919 28.402 1.00 0.00 C ATOM 130 C LEU A 8 34.680 31.067 29.121 1.00 0.00 C ATOM 131 O LEU A 8 35.245 30.886 30.197 1.00 0.00 O ATOM 132 CB LEU A 8 34.993 28.895 27.896 1.00 0.00 C ATOM 133 CG LEU A 8 35.904 29.391 26.776 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.330 28.845 26.880 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.469 29.017 25.357 1.00 0.00 C ATOM 0 H LEU A 8 33.515 29.985 26.383 1.00 0.00 H new ATOM 0 HA LEU A 8 33.315 29.508 29.165 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.613 28.576 28.734 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.455 28.015 27.544 1.00 0.00 H new ATOM 0 HG LEU A 8 35.845 30.470 26.922 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.929 29.233 26.056 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.771 29.156 27.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.307 27.756 26.831 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.185 29.418 24.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.430 27.932 25.263 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.482 29.434 25.157 1.00 0.00 H new ATOM 147 N THR A 9 34.624 32.305 28.628 1.00 0.00 N ATOM 148 CA THR A 9 35.278 33.499 29.135 1.00 0.00 C ATOM 149 C THR A 9 34.233 34.574 29.424 1.00 0.00 C ATOM 150 O THR A 9 34.586 35.716 29.733 1.00 0.00 O ATOM 151 CB THR A 9 36.376 33.942 28.164 1.00 0.00 C ATOM 152 OG1 THR A 9 35.787 34.073 26.891 1.00 0.00 O ATOM 153 CG2 THR A 9 37.542 32.966 28.040 1.00 0.00 C ATOM 0 H THR A 9 34.073 32.509 27.794 1.00 0.00 H new ATOM 0 HA THR A 9 35.776 33.294 30.083 1.00 0.00 H new ATOM 0 HB THR A 9 36.789 34.872 28.554 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.466 34.358 26.244 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.272 33.359 27.332 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.014 32.837 29.014 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.174 32.003 27.685 1.00 0.00 H new ATOM 161 N GLY A 10 32.952 34.204 29.462 1.00 0.00 N ATOM 162 CA GLY A 10 31.870 34.845 30.177 1.00 0.00 C ATOM 163 C GLY A 10 30.901 35.566 29.245 1.00 0.00 C ATOM 164 O GLY A 10 29.778 35.786 29.705 1.00 0.00 O ATOM 0 H GLY A 10 32.629 33.383 28.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.326 34.097 30.753 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.282 35.559 30.890 1.00 0.00 H new ATOM 168 N LYS A 11 31.399 36.087 28.137 1.00 0.00 N ATOM 169 CA LYS A 11 30.522 36.773 27.200 1.00 0.00 C ATOM 170 C LYS A 11 29.413 35.919 26.576 1.00 0.00 C ATOM 171 O LYS A 11 29.653 34.755 26.290 1.00 0.00 O ATOM 172 CB LYS A 11 31.287 37.445 26.062 1.00 0.00 C ATOM 173 CG LYS A 11 32.272 36.659 25.199 1.00 0.00 C ATOM 174 CD LYS A 11 32.905 37.532 24.121 1.00 0.00 C ATOM 175 CE LYS A 11 34.313 37.052 23.761 1.00 0.00 C ATOM 176 NZ LYS A 11 34.645 37.443 22.378 1.00 0.00 N ATOM 0 H LYS A 11 32.382 36.051 27.867 1.00 0.00 H new ATOM 0 HA LYS A 11 30.044 37.514 27.840 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.545 37.873 25.388 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.839 38.278 26.498 1.00 0.00 H new ATOM 0 HG2 LYS A 11 33.054 36.239 25.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.756 35.821 24.731 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.278 37.522 23.230 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.950 38.564 24.468 1.00 0.00 H new ATOM 0 HE2 LYS A 11 35.039 37.480 24.452 1.00 0.00 H new ATOM 0 HE3 LYS A 11 34.374 35.969 23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 35.608 37.834 22.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.591 36.609 21.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.970 38.162 22.049 1.00 0.00 H new ATOM 190 N THR A 12 28.239 36.475 26.267 1.00 0.00 N ATOM 191 CA THR A 12 27.181 35.771 25.589 1.00 0.00 C ATOM 192 C THR A 12 27.033 36.183 24.124 1.00 0.00 C ATOM 193 O THR A 12 27.343 37.353 23.866 1.00 0.00 O ATOM 194 CB THR A 12 25.917 36.187 26.347 1.00 0.00 C ATOM 195 OG1 THR A 12 26.060 35.894 27.720 1.00 0.00 O ATOM 196 CG2 THR A 12 24.748 35.315 25.892 1.00 0.00 C ATOM 0 H THR A 12 28.007 37.443 26.490 1.00 0.00 H new ATOM 0 HA THR A 12 27.376 34.699 25.581 1.00 0.00 H new ATOM 0 HB THR A 12 25.754 37.249 26.165 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.249 36.164 28.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.846 35.607 26.429 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.592 35.446 24.821 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.972 34.269 26.101 1.00 0.00 H new ATOM 204 N ILE A 13 26.600 35.255 23.285 1.00 0.00 N ATOM 205 CA ILE A 13 26.387 35.401 21.855 1.00 0.00 C ATOM 206 C ILE A 13 24.915 35.032 21.751 1.00 0.00 C ATOM 207 O ILE A 13 24.510 33.917 22.076 1.00 0.00 O ATOM 208 CB ILE A 13 27.335 34.498 21.049 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.744 35.061 20.857 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.851 34.015 19.685 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.542 34.969 22.153 1.00 0.00 C ATOM 0 H ILE A 13 26.373 34.315 23.609 1.00 0.00 H new ATOM 0 HA ILE A 13 26.603 36.386 21.441 1.00 0.00 H new ATOM 0 HB ILE A 13 27.352 33.637 21.717 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.257 34.510 20.068 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.685 36.100 20.533 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.617 33.389 19.228 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.935 33.437 19.808 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.655 34.874 19.044 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.541 35.375 21.995 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.038 35.540 22.932 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.618 33.926 22.460 1.00 0.00 H new ATOM 223 N THR A 14 24.035 35.860 21.184 1.00 0.00 N ATOM 224 CA THR A 14 22.735 35.433 20.734 1.00 0.00 C ATOM 225 C THR A 14 22.844 34.705 19.397 1.00 0.00 C ATOM 226 O THR A 14 23.453 35.241 18.469 1.00 0.00 O ATOM 227 CB THR A 14 21.793 36.629 20.651 1.00 0.00 C ATOM 228 OG1 THR A 14 21.527 37.022 21.983 1.00 0.00 O ATOM 229 CG2 THR A 14 20.448 36.280 20.022 1.00 0.00 C ATOM 0 H THR A 14 24.219 36.851 21.029 1.00 0.00 H new ATOM 0 HA THR A 14 22.320 34.729 21.455 1.00 0.00 H new ATOM 0 HB THR A 14 22.266 37.398 20.040 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.923 37.794 21.982 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.820 37.170 19.990 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.605 35.910 19.009 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.957 35.510 20.617 1.00 0.00 H new ATOM 237 N LEU A 15 22.155 33.567 19.310 1.00 0.00 N ATOM 238 CA LEU A 15 21.934 32.881 18.051 1.00 0.00 C ATOM 239 C LEU A 15 20.434 32.888 17.731 1.00 0.00 C ATOM 240 O LEU A 15 19.681 32.331 18.520 1.00 0.00 O ATOM 241 CB LEU A 15 22.408 31.436 18.152 1.00 0.00 C ATOM 242 CG LEU A 15 23.911 31.190 18.267 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.144 29.677 18.293 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.584 31.657 16.970 1.00 0.00 C ATOM 0 H LEU A 15 21.737 33.100 20.115 1.00 0.00 H new ATOM 0 HA LEU A 15 22.491 33.391 17.265 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.927 30.985 19.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.047 30.902 17.273 1.00 0.00 H new ATOM 0 HG LEU A 15 24.295 31.701 19.150 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.212 29.475 18.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.626 29.244 19.149 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.760 29.234 17.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.659 31.488 17.036 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.180 31.096 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.392 32.720 16.823 1.00 0.00 H new ATOM 256 N GLU A 16 20.164 33.262 16.478 1.00 0.00 N ATOM 257 CA GLU A 16 18.895 33.140 15.806 1.00 0.00 C ATOM 258 C GLU A 16 18.996 31.854 14.983 1.00 0.00 C ATOM 259 O GLU A 16 19.881 31.783 14.131 1.00 0.00 O ATOM 260 CB GLU A 16 18.631 34.412 15.001 1.00 0.00 C ATOM 261 CG GLU A 16 17.136 34.734 15.016 1.00 0.00 C ATOM 262 CD GLU A 16 16.017 33.772 14.626 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.049 33.059 13.600 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.018 33.718 15.376 1.00 0.00 O ATOM 0 H GLU A 16 20.877 33.682 15.881 1.00 0.00 H new ATOM 0 HA GLU A 16 18.035 33.055 16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.196 35.244 15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.974 34.281 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.912 35.053 16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.014 35.607 14.374 1.00 0.00 H new ATOM 271 N VAL A 17 18.171 30.843 15.256 1.00 0.00 N ATOM 272 CA VAL A 17 18.217 29.532 14.624 1.00 0.00 C ATOM 273 C VAL A 17 16.822 28.970 14.361 1.00 0.00 C ATOM 274 O VAL A 17 15.809 29.630 14.533 1.00 0.00 O ATOM 275 CB VAL A 17 18.975 28.505 15.472 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.475 28.757 15.560 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.431 28.361 16.903 1.00 0.00 C ATOM 0 H VAL A 17 17.427 30.921 15.949 1.00 0.00 H new ATOM 0 HA VAL A 17 18.739 29.692 13.680 1.00 0.00 H new ATOM 0 HB VAL A 17 18.805 27.576 14.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.938 27.987 16.177 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.908 28.729 14.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.654 29.735 16.006 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.017 27.617 17.442 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.501 29.320 17.417 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.389 28.044 16.866 1.00 0.00 H new ATOM 287 N GLU A 18 16.792 27.702 13.948 1.00 0.00 N ATOM 288 CA GLU A 18 15.666 27.007 13.344 1.00 0.00 C ATOM 289 C GLU A 18 15.575 25.613 13.965 1.00 0.00 C ATOM 290 O GLU A 18 16.650 25.078 14.234 1.00 0.00 O ATOM 291 CB GLU A 18 15.808 27.064 11.821 1.00 0.00 C ATOM 292 CG GLU A 18 14.519 27.046 11.010 1.00 0.00 C ATOM 293 CD GLU A 18 13.842 25.758 10.566 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.214 24.703 11.129 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.767 25.846 9.928 1.00 0.00 O ATOM 0 H GLU A 18 17.610 27.098 14.034 1.00 0.00 H new ATOM 0 HA GLU A 18 14.705 27.479 13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.358 27.970 11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.420 26.219 11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.781 27.601 11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.714 27.622 10.105 1.00 0.00 H new ATOM 302 N PRO A 19 14.423 24.986 14.160 1.00 0.00 N ATOM 303 CA PRO A 19 14.319 23.649 14.716 1.00 0.00 C ATOM 304 C PRO A 19 15.050 22.504 14.005 1.00 0.00 C ATOM 305 O PRO A 19 15.479 21.595 14.704 1.00 0.00 O ATOM 306 CB PRO A 19 12.833 23.287 14.619 1.00 0.00 C ATOM 307 CG PRO A 19 11.987 24.552 14.525 1.00 0.00 C ATOM 308 CD PRO A 19 13.083 25.539 14.114 1.00 0.00 C ATOM 0 HA PRO A 19 14.776 23.716 15.703 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.661 22.660 13.744 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.535 22.706 15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.191 24.473 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.516 24.815 15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.881 25.890 13.102 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.038 26.409 14.768 1.00 0.00 H new ATOM 316 N SER A 20 15.202 22.660 12.696 1.00 0.00 N ATOM 317 CA SER A 20 15.783 21.656 11.829 1.00 0.00 C ATOM 318 C SER A 20 17.290 21.809 11.612 1.00 0.00 C ATOM 319 O SER A 20 17.847 21.067 10.797 1.00 0.00 O ATOM 320 CB SER A 20 15.001 21.750 10.517 1.00 0.00 C ATOM 321 OG SER A 20 15.229 22.880 9.721 1.00 0.00 O ATOM 0 H SER A 20 14.918 23.506 12.203 1.00 0.00 H new ATOM 0 HA SER A 20 15.699 20.672 12.290 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.229 20.865 9.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.938 21.711 10.753 1.00 0.00 H new ATOM 0 HG SER A 20 15.252 23.680 10.287 1.00 0.00 H new ATOM 327 N ASP A 21 17.973 22.777 12.204 1.00 0.00 N ATOM 328 CA ASP A 21 19.364 23.039 11.914 1.00 0.00 C ATOM 329 C ASP A 21 20.141 22.005 12.736 1.00 0.00 C ATOM 330 O ASP A 21 19.933 21.876 13.934 1.00 0.00 O ATOM 331 CB ASP A 21 19.894 24.391 12.377 1.00 0.00 C ATOM 332 CG ASP A 21 19.683 25.652 11.545 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.561 25.576 10.303 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.706 26.742 12.160 1.00 0.00 O ATOM 0 H ASP A 21 17.571 23.403 12.902 1.00 0.00 H new ATOM 0 HA ASP A 21 19.476 23.007 10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.462 24.582 13.359 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.969 24.280 12.518 1.00 0.00 H new ATOM 339 N THR A 22 20.918 21.096 12.140 1.00 0.00 N ATOM 340 CA THR A 22 21.943 20.275 12.751 1.00 0.00 C ATOM 341 C THR A 22 22.993 21.012 13.574 1.00 0.00 C ATOM 342 O THR A 22 23.386 22.113 13.193 1.00 0.00 O ATOM 343 CB THR A 22 22.537 19.241 11.793 1.00 0.00 C ATOM 344 OG1 THR A 22 22.875 19.789 10.532 1.00 0.00 O ATOM 345 CG2 THR A 22 21.624 18.056 11.500 1.00 0.00 C ATOM 0 H THR A 22 20.832 20.908 11.141 1.00 0.00 H new ATOM 0 HA THR A 22 21.392 19.717 13.508 1.00 0.00 H new ATOM 0 HB THR A 22 23.422 18.903 12.333 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.251 19.087 9.961 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.124 17.373 10.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.396 17.534 12.429 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.699 18.413 11.048 1.00 0.00 H new ATOM 353 N ILE A 23 23.474 20.471 14.697 1.00 0.00 N ATOM 354 CA ILE A 23 24.543 20.967 15.539 1.00 0.00 C ATOM 355 C ILE A 23 25.644 21.743 14.800 1.00 0.00 C ATOM 356 O ILE A 23 25.838 22.898 15.165 1.00 0.00 O ATOM 357 CB ILE A 23 24.984 19.917 16.562 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.991 18.903 17.140 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.871 20.468 17.685 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.749 19.532 17.764 1.00 0.00 C ATOM 0 H ILE A 23 23.086 19.601 15.063 1.00 0.00 H new ATOM 0 HA ILE A 23 24.132 21.773 16.146 1.00 0.00 H new ATOM 0 HB ILE A 23 25.553 19.307 15.860 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.681 18.222 16.347 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.499 18.303 17.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.139 19.660 18.366 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.777 20.897 17.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.328 21.239 18.232 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.098 18.747 18.149 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.046 20.190 18.580 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.215 20.108 17.009 1.00 0.00 H new ATOM 372 N GLU A 24 26.294 21.165 13.788 1.00 0.00 N ATOM 373 CA GLU A 24 27.245 21.766 12.882 1.00 0.00 C ATOM 374 C GLU A 24 26.814 23.030 12.141 1.00 0.00 C ATOM 375 O GLU A 24 27.655 23.926 12.026 1.00 0.00 O ATOM 376 CB GLU A 24 27.789 20.911 11.736 1.00 0.00 C ATOM 377 CG GLU A 24 28.308 19.555 12.219 1.00 0.00 C ATOM 378 CD GLU A 24 29.403 19.523 13.273 1.00 0.00 C ATOM 379 OE1 GLU A 24 30.613 19.690 12.977 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.070 19.340 14.463 1.00 0.00 O ATOM 0 H GLU A 24 26.148 20.179 13.572 1.00 0.00 H new ATOM 0 HA GLU A 24 27.990 21.954 13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.003 20.755 10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.594 21.448 11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.458 18.996 12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.673 19.012 11.347 1.00 0.00 H new ATOM 387 N ASN A 25 25.589 23.022 11.632 1.00 0.00 N ATOM 388 CA ASN A 25 24.894 24.203 11.173 1.00 0.00 C ATOM 389 C ASN A 25 24.631 25.330 12.173 1.00 0.00 C ATOM 390 O ASN A 25 24.412 26.469 11.785 1.00 0.00 O ATOM 391 CB ASN A 25 23.732 23.910 10.226 1.00 0.00 C ATOM 392 CG ASN A 25 24.005 23.353 8.838 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.529 22.265 8.620 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.634 24.111 7.807 1.00 0.00 N ATOM 0 H ASN A 25 25.042 22.167 11.527 1.00 0.00 H new ATOM 0 HA ASN A 25 25.671 24.671 10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.070 23.208 10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.175 24.838 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.787 23.784 6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.197 25.018 7.972 1.00 0.00 H new ATOM 401 N VAL A 26 24.797 24.999 13.458 1.00 0.00 N ATOM 402 CA VAL A 26 24.718 25.900 14.590 1.00 0.00 C ATOM 403 C VAL A 26 26.120 26.345 15.009 1.00 0.00 C ATOM 404 O VAL A 26 26.304 27.480 15.454 1.00 0.00 O ATOM 405 CB VAL A 26 23.748 25.463 15.693 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.706 26.493 16.830 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.457 24.941 15.066 1.00 0.00 C ATOM 0 H VAL A 26 25.001 24.040 13.741 1.00 0.00 H new ATOM 0 HA VAL A 26 24.216 26.815 14.275 1.00 0.00 H new ATOM 0 HB VAL A 26 24.089 24.589 16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.010 26.158 17.599 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.701 26.599 17.262 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.377 27.455 16.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.770 24.631 15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.996 25.730 14.472 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.683 24.089 14.425 1.00 0.00 H new ATOM 417 N LYS A 27 27.128 25.492 14.872 1.00 0.00 N ATOM 418 CA LYS A 27 28.474 25.884 15.230 1.00 0.00 C ATOM 419 C LYS A 27 29.052 26.808 14.158 1.00 0.00 C ATOM 420 O LYS A 27 29.954 27.566 14.518 1.00 0.00 O ATOM 421 CB LYS A 27 29.337 24.623 15.298 1.00 0.00 C ATOM 422 CG LYS A 27 29.081 23.690 16.468 1.00 0.00 C ATOM 423 CD LYS A 27 29.368 22.193 16.312 1.00 0.00 C ATOM 424 CE LYS A 27 30.838 21.850 16.080 1.00 0.00 C ATOM 425 NZ LYS A 27 31.154 20.419 15.924 1.00 0.00 N ATOM 0 H LYS A 27 27.036 24.539 14.520 1.00 0.00 H new ATOM 0 HA LYS A 27 28.461 26.404 16.188 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.193 24.061 14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.383 24.927 15.326 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.672 24.051 17.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.033 23.795 16.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.024 21.675 17.207 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.782 21.809 15.477 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.176 22.375 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.417 22.240 16.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.892 20.303 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.494 20.038 16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.299 19.905 15.631 1.00 0.00 H new ATOM 439 N ALA A 28 28.609 26.692 12.911 1.00 0.00 N ATOM 440 CA ALA A 28 28.798 27.572 11.782 1.00 0.00 C ATOM 441 C ALA A 28 28.307 28.994 12.062 1.00 0.00 C ATOM 442 O ALA A 28 28.995 29.993 11.894 1.00 0.00 O ATOM 443 CB ALA A 28 28.127 26.956 10.556 1.00 0.00 C ATOM 0 H ALA A 28 28.046 25.884 12.646 1.00 0.00 H new ATOM 0 HA ALA A 28 29.866 27.672 11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.264 27.613 9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.576 25.985 10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.062 26.829 10.749 1.00 0.00 H new ATOM 449 N LYS A 29 27.032 29.102 12.431 1.00 0.00 N ATOM 450 CA LYS A 29 26.391 30.251 13.054 1.00 0.00 C ATOM 451 C LYS A 29 27.116 30.966 14.185 1.00 0.00 C ATOM 452 O LYS A 29 27.159 32.197 14.266 1.00 0.00 O ATOM 453 CB LYS A 29 24.913 29.932 13.317 1.00 0.00 C ATOM 454 CG LYS A 29 24.038 29.634 12.100 1.00 0.00 C ATOM 455 CD LYS A 29 22.592 29.208 12.327 1.00 0.00 C ATOM 456 CE LYS A 29 22.012 28.910 10.950 1.00 0.00 C ATOM 457 NZ LYS A 29 20.546 28.811 11.003 1.00 0.00 N ATOM 0 H LYS A 29 26.377 28.333 12.291 1.00 0.00 H new ATOM 0 HA LYS A 29 26.461 31.050 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.866 29.073 13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.475 30.775 13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.026 30.527 11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.528 28.849 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.542 28.328 12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.028 29.997 12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.301 29.696 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.429 27.977 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.165 28.777 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.275 27.946 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.160 29.640 11.498 1.00 0.00 H new ATOM 471 N ILE A 30 27.931 30.253 14.955 1.00 0.00 N ATOM 472 CA ILE A 30 28.806 30.880 15.930 1.00 0.00 C ATOM 473 C ILE A 30 30.038 31.499 15.278 1.00 0.00 C ATOM 474 O ILE A 30 30.481 32.531 15.778 1.00 0.00 O ATOM 475 CB ILE A 30 29.132 29.913 17.067 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.886 29.601 17.881 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.170 30.459 18.048 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.056 28.385 18.785 1.00 0.00 C ATOM 0 H ILE A 30 28.001 29.236 14.920 1.00 0.00 H new ATOM 0 HA ILE A 30 28.274 31.718 16.381 1.00 0.00 H new ATOM 0 HB ILE A 30 29.532 29.025 16.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.630 30.468 18.491 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.049 29.430 17.204 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.355 29.722 18.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.099 30.665 17.517 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.797 31.379 18.498 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.134 28.213 19.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.283 27.509 18.178 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.873 28.563 19.484 1.00 0.00 H new ATOM 490 N GLN A 31 30.565 31.028 14.148 1.00 0.00 N ATOM 491 CA GLN A 31 31.800 31.518 13.566 1.00 0.00 C ATOM 492 C GLN A 31 31.487 32.845 12.883 1.00 0.00 C ATOM 493 O GLN A 31 32.377 33.695 12.949 1.00 0.00 O ATOM 494 CB GLN A 31 32.196 30.574 12.435 1.00 0.00 C ATOM 495 CG GLN A 31 33.478 30.966 11.697 1.00 0.00 C ATOM 496 CD GLN A 31 33.950 29.849 10.772 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.270 28.986 10.246 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.261 29.792 10.531 1.00 0.00 N ATOM 0 H GLN A 31 30.132 30.280 13.606 1.00 0.00 H new ATOM 0 HA GLN A 31 32.573 31.602 14.330 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.320 29.571 12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.378 30.527 11.716 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.303 31.872 11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.260 31.197 12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.886 30.486 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.639 29.055 9.936 1.00 0.00 H new ATOM 507 N ASP A 32 30.308 32.996 12.299 1.00 0.00 N ATOM 508 CA ASP A 32 29.828 34.202 11.646 1.00 0.00 C ATOM 509 C ASP A 32 29.857 35.354 12.651 1.00 0.00 C ATOM 510 O ASP A 32 30.144 36.464 12.228 1.00 0.00 O ATOM 511 CB ASP A 32 28.421 33.925 11.105 1.00 0.00 C ATOM 512 CG ASP A 32 27.657 35.110 10.521 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.252 35.882 9.732 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.507 35.385 10.932 1.00 0.00 O ATOM 0 H ASP A 32 29.625 32.239 12.267 1.00 0.00 H new ATOM 0 HA ASP A 32 30.461 34.489 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.500 33.159 10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.824 33.503 11.914 1.00 0.00 H new ATOM 519 N LYS A 33 29.643 35.063 13.936 1.00 0.00 N ATOM 520 CA LYS A 33 29.599 36.130 14.917 1.00 0.00 C ATOM 521 C LYS A 33 30.981 36.353 15.543 1.00 0.00 C ATOM 522 O LYS A 33 31.297 37.533 15.601 1.00 0.00 O ATOM 523 CB LYS A 33 28.636 35.818 16.058 1.00 0.00 C ATOM 524 CG LYS A 33 27.197 35.378 15.753 1.00 0.00 C ATOM 525 CD LYS A 33 26.507 36.281 14.734 1.00 0.00 C ATOM 526 CE LYS A 33 25.123 35.817 14.267 1.00 0.00 C ATOM 527 NZ LYS A 33 24.892 36.092 12.846 1.00 0.00 N ATOM 0 H LYS A 33 29.502 34.123 14.307 1.00 0.00 H new ATOM 0 HA LYS A 33 29.264 37.018 14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.093 35.034 16.662 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.576 36.708 16.684 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.206 34.355 15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.620 35.373 16.677 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.410 37.277 15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.153 36.373 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.021 34.747 14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.356 36.315 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.914 35.838 12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.046 37.103 12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.552 35.530 12.272 1.00 0.00 H new ATOM 541 N GLU A 34 31.600 35.270 16.012 1.00 0.00 N ATOM 542 CA GLU A 34 32.599 35.392 17.041 1.00 0.00 C ATOM 543 C GLU A 34 33.997 35.028 16.504 1.00 0.00 C ATOM 544 O GLU A 34 34.956 35.368 17.182 1.00 0.00 O ATOM 545 CB GLU A 34 32.256 34.422 18.173 1.00 0.00 C ATOM 546 CG GLU A 34 31.752 35.065 19.461 1.00 0.00 C ATOM 547 CD GLU A 34 32.772 35.917 20.205 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.628 35.363 20.919 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.730 37.167 20.073 1.00 0.00 O ATOM 0 H GLU A 34 31.422 34.317 15.694 1.00 0.00 H new ATOM 0 HA GLU A 34 32.611 36.424 17.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.497 33.726 17.814 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.144 33.834 18.405 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.888 35.686 19.224 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.404 34.277 20.129 1.00 0.00 H new ATOM 556 N GLY A 35 34.054 34.317 15.392 1.00 0.00 N ATOM 557 CA GLY A 35 35.268 33.985 14.674 1.00 0.00 C ATOM 558 C GLY A 35 35.838 32.581 14.920 1.00 0.00 C ATOM 559 O GLY A 35 36.893 32.275 14.354 1.00 0.00 O ATOM 0 H GLY A 35 33.218 33.939 14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.076 34.095 13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.032 34.716 14.937 1.00 0.00 H new ATOM 563 N ILE A 36 35.248 31.814 15.827 1.00 0.00 N ATOM 564 CA ILE A 36 35.628 30.526 16.374 1.00 0.00 C ATOM 565 C ILE A 36 35.238 29.390 15.427 1.00 0.00 C ATOM 566 O ILE A 36 34.034 29.221 15.223 1.00 0.00 O ATOM 567 CB ILE A 36 34.963 30.337 17.745 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.354 31.453 18.702 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.330 28.987 18.370 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.484 31.568 19.958 1.00 0.00 C ATOM 0 H ILE A 36 34.374 32.128 16.250 1.00 0.00 H new ATOM 0 HA ILE A 36 36.711 30.500 16.492 1.00 0.00 H new ATOM 0 HB ILE A 36 33.886 30.365 17.578 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.389 31.301 19.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.316 32.401 18.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.841 28.890 19.339 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.000 28.181 17.714 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.410 28.929 18.502 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.843 32.392 20.575 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.450 31.755 19.668 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.539 30.639 20.525 1.00 0.00 H new ATOM 582 N PRO A 37 36.191 28.676 14.827 1.00 0.00 N ATOM 583 CA PRO A 37 35.828 27.696 13.830 1.00 0.00 C ATOM 584 C PRO A 37 34.979 26.567 14.427 1.00 0.00 C ATOM 585 O PRO A 37 35.096 26.265 15.614 1.00 0.00 O ATOM 586 CB PRO A 37 37.127 27.179 13.195 1.00 0.00 C ATOM 587 CG PRO A 37 38.230 27.513 14.200 1.00 0.00 C ATOM 588 CD PRO A 37 37.629 28.664 15.003 1.00 0.00 C ATOM 0 HA PRO A 37 35.202 28.150 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.075 26.106 13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.313 27.658 12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.469 26.660 14.835 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.154 27.808 13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.876 28.553 16.059 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.054 29.612 14.674 1.00 0.00 H new ATOM 596 N PRO A 38 34.091 25.923 13.677 1.00 0.00 N ATOM 597 CA PRO A 38 33.410 24.687 14.040 1.00 0.00 C ATOM 598 C PRO A 38 34.249 23.610 14.723 1.00 0.00 C ATOM 599 O PRO A 38 33.886 23.061 15.757 1.00 0.00 O ATOM 600 CB PRO A 38 32.526 24.237 12.879 1.00 0.00 C ATOM 601 CG PRO A 38 32.340 25.588 12.183 1.00 0.00 C ATOM 602 CD PRO A 38 33.554 26.472 12.453 1.00 0.00 C ATOM 0 HA PRO A 38 32.755 24.914 14.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.012 23.498 12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.584 23.801 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.215 25.442 11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.435 26.074 12.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.277 26.425 11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.273 27.519 12.569 1.00 0.00 H new ATOM 610 N ASP A 39 35.386 23.307 14.098 1.00 0.00 N ATOM 611 CA ASP A 39 36.296 22.289 14.584 1.00 0.00 C ATOM 612 C ASP A 39 36.808 22.473 16.011 1.00 0.00 C ATOM 613 O ASP A 39 37.208 21.528 16.690 1.00 0.00 O ATOM 614 CB ASP A 39 37.326 22.298 13.455 1.00 0.00 C ATOM 615 CG ASP A 39 38.376 21.206 13.637 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.050 20.012 13.482 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.558 21.591 13.705 1.00 0.00 O ATOM 0 H ASP A 39 35.696 23.765 13.241 1.00 0.00 H new ATOM 0 HA ASP A 39 35.846 21.310 14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.819 22.160 12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.816 23.271 13.418 1.00 0.00 H new ATOM 622 N GLN A 40 36.814 23.680 16.572 1.00 0.00 N ATOM 623 CA GLN A 40 37.406 23.937 17.868 1.00 0.00 C ATOM 624 C GLN A 40 36.333 23.878 18.962 1.00 0.00 C ATOM 625 O GLN A 40 36.599 23.777 20.159 1.00 0.00 O ATOM 626 CB GLN A 40 38.012 25.345 17.948 1.00 0.00 C ATOM 627 CG GLN A 40 39.223 25.351 18.881 1.00 0.00 C ATOM 628 CD GLN A 40 39.669 26.776 19.195 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.492 27.783 18.513 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.421 26.864 20.284 1.00 0.00 N ATOM 0 H GLN A 40 36.405 24.505 16.133 1.00 0.00 H new ATOM 0 HA GLN A 40 38.177 23.179 18.008 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.309 25.677 16.953 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.263 26.050 18.309 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.975 24.832 19.807 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.044 24.803 18.419 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.579 26.039 20.863 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.841 27.757 20.543 1.00 0.00 H new ATOM 639 N GLN A 41 35.075 23.886 18.517 1.00 0.00 N ATOM 640 CA GLN A 41 33.967 24.171 19.401 1.00 0.00 C ATOM 641 C GLN A 41 33.400 22.848 19.932 1.00 0.00 C ATOM 642 O GLN A 41 33.166 21.890 19.194 1.00 0.00 O ATOM 643 CB GLN A 41 32.723 24.787 18.769 1.00 0.00 C ATOM 644 CG GLN A 41 33.020 26.170 18.180 1.00 0.00 C ATOM 645 CD GLN A 41 31.819 26.803 17.499 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.724 26.644 18.039 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.078 27.390 16.330 1.00 0.00 N ATOM 0 H GLN A 41 34.809 23.698 17.551 1.00 0.00 H new ATOM 0 HA GLN A 41 34.409 24.863 20.118 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.348 24.129 17.985 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.936 24.871 19.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.367 26.829 18.976 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.834 26.084 17.460 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.039 27.457 15.995 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.315 27.773 15.771 1.00 0.00 H new ATOM 656 N ARG A 42 33.114 22.809 21.224 1.00 0.00 N ATOM 657 CA ARG A 42 32.302 21.779 21.845 1.00 0.00 C ATOM 658 C ARG A 42 31.090 22.574 22.337 1.00 0.00 C ATOM 659 O ARG A 42 31.336 23.476 23.139 1.00 0.00 O ATOM 660 CB ARG A 42 33.012 21.181 23.057 1.00 0.00 C ATOM 661 CG ARG A 42 34.188 20.272 22.719 1.00 0.00 C ATOM 662 CD ARG A 42 34.871 19.648 23.933 1.00 0.00 C ATOM 663 NE ARG A 42 34.076 18.548 24.474 1.00 0.00 N ATOM 664 CZ ARG A 42 34.381 17.747 25.504 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.499 17.843 26.234 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.520 16.793 25.893 1.00 0.00 N ATOM 0 H ARG A 42 33.449 23.511 21.884 1.00 0.00 H new ATOM 0 HA ARG A 42 32.073 20.955 21.169 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.368 21.993 23.690 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.288 20.614 23.643 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.838 19.474 22.064 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.925 20.846 22.157 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.859 19.283 23.651 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.019 20.407 24.701 1.00 0.00 H new ATOM 0 HE ARG A 42 33.184 18.369 24.013 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.188 18.564 26.019 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.662 17.195 27.005 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.632 16.677 25.404 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.754 16.184 26.677 1.00 0.00 H new ATOM 680 N LEU A 43 29.865 22.174 22.004 1.00 0.00 N ATOM 681 CA LEU A 43 28.653 22.686 22.603 1.00 0.00 C ATOM 682 C LEU A 43 28.040 21.734 23.632 1.00 0.00 C ATOM 683 O LEU A 43 27.847 20.560 23.308 1.00 0.00 O ATOM 684 CB LEU A 43 27.634 23.006 21.497 1.00 0.00 C ATOM 685 CG LEU A 43 28.067 24.130 20.564 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.113 24.154 19.365 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.131 25.522 21.201 1.00 0.00 C ATOM 0 H LEU A 43 29.692 21.466 21.290 1.00 0.00 H new ATOM 0 HA LEU A 43 28.918 23.592 23.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.457 22.106 20.908 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.684 23.276 21.959 1.00 0.00 H new ATOM 0 HG LEU A 43 29.094 23.909 20.272 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.405 24.953 18.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.159 23.198 18.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.095 24.329 19.713 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.449 26.250 20.454 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.145 25.796 21.578 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.844 25.513 22.025 1.00 0.00 H new ATOM 699 N ILE A 44 27.936 22.226 24.860 1.00 0.00 N ATOM 700 CA ILE A 44 27.594 21.544 26.084 1.00 0.00 C ATOM 701 C ILE A 44 26.253 22.140 26.531 1.00 0.00 C ATOM 702 O ILE A 44 25.949 23.309 26.295 1.00 0.00 O ATOM 703 CB ILE A 44 28.617 21.724 27.206 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.999 21.537 26.575 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.531 20.763 28.395 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.352 20.211 25.890 1.00 0.00 C ATOM 0 H ILE A 44 28.109 23.217 25.031 1.00 0.00 H new ATOM 0 HA ILE A 44 27.559 20.472 25.891 1.00 0.00 H new ATOM 0 HB ILE A 44 28.415 22.709 27.626 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.129 22.329 25.837 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.739 21.706 27.357 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.314 21.003 29.114 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.556 20.862 28.873 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.662 19.739 28.045 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.370 20.261 25.502 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.278 19.398 26.612 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.659 20.030 25.068 1.00 0.00 H new ATOM 718 N PHE A 45 25.546 21.285 27.252 1.00 0.00 N ATOM 719 CA PHE A 45 24.272 21.603 27.867 1.00 0.00 C ATOM 720 C PHE A 45 23.959 20.462 28.836 1.00 0.00 C ATOM 721 O PHE A 45 24.007 19.309 28.408 1.00 0.00 O ATOM 722 CB PHE A 45 23.194 21.832 26.804 1.00 0.00 C ATOM 723 CG PHE A 45 21.792 21.972 27.354 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.476 23.152 28.046 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.875 20.923 27.263 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.257 23.228 28.734 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.660 21.031 27.953 1.00 0.00 C ATOM 728 CZ PHE A 45 19.309 22.204 28.624 1.00 0.00 C ATOM 0 H PHE A 45 25.851 20.328 27.429 1.00 0.00 H new ATOM 0 HA PHE A 45 24.307 22.540 28.424 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.442 22.732 26.241 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.213 21.000 26.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.161 23.987 28.048 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.098 20.046 26.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.047 24.086 29.356 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.982 20.190 27.966 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.324 22.319 29.051 1.00 0.00 H new ATOM 738 N ALA A 46 23.661 20.674 30.111 1.00 0.00 N ATOM 739 CA ALA A 46 23.107 19.595 30.893 1.00 0.00 C ATOM 740 C ALA A 46 24.096 18.509 31.339 1.00 0.00 C ATOM 741 O ALA A 46 23.774 17.358 31.625 1.00 0.00 O ATOM 742 CB ALA A 46 21.758 19.016 30.455 1.00 0.00 C ATOM 0 H ALA A 46 23.791 21.556 30.607 1.00 0.00 H new ATOM 0 HA ALA A 46 22.860 20.160 31.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.468 18.215 31.135 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.002 19.801 30.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.843 18.620 29.443 1.00 0.00 H new ATOM 748 N GLY A 47 25.373 18.856 31.226 1.00 0.00 N ATOM 749 CA GLY A 47 26.537 18.086 31.598 1.00 0.00 C ATOM 750 C GLY A 47 27.262 17.296 30.509 1.00 0.00 C ATOM 751 O GLY A 47 28.129 16.456 30.716 1.00 0.00 O ATOM 0 H GLY A 47 25.634 19.762 30.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.257 18.769 32.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.236 17.383 32.374 1.00 0.00 H new ATOM 755 N LYS A 48 26.964 17.686 29.269 1.00 0.00 N ATOM 756 CA LYS A 48 27.154 16.746 28.180 1.00 0.00 C ATOM 757 C LYS A 48 27.217 17.557 26.885 1.00 0.00 C ATOM 758 O LYS A 48 26.543 18.588 26.763 1.00 0.00 O ATOM 759 CB LYS A 48 26.188 15.559 28.196 1.00 0.00 C ATOM 760 CG LYS A 48 24.727 16.009 28.194 1.00 0.00 C ATOM 761 CD LYS A 48 23.642 15.067 28.714 1.00 0.00 C ATOM 762 CE LYS A 48 22.258 15.698 28.866 1.00 0.00 C ATOM 763 NZ LYS A 48 21.228 14.653 28.929 1.00 0.00 N ATOM 0 H LYS A 48 26.606 18.605 29.007 1.00 0.00 H new ATOM 0 HA LYS A 48 28.101 16.217 28.293 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.374 14.928 27.327 1.00 0.00 H new ATOM 0 HB3 LYS A 48 26.378 14.949 29.079 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.669 16.927 28.779 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.468 16.268 27.167 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.565 14.217 28.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.955 14.676 29.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.225 16.306 29.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.060 16.364 28.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.292 15.094 29.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.251 14.090 28.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.411 14.034 29.744 1.00 0.00 H new ATOM 777 N GLN A 49 27.976 17.022 25.940 1.00 0.00 N ATOM 778 CA GLN A 49 28.178 17.563 24.605 1.00 0.00 C ATOM 779 C GLN A 49 26.911 17.285 23.783 1.00 0.00 C ATOM 780 O GLN A 49 26.325 16.211 23.876 1.00 0.00 O ATOM 781 CB GLN A 49 29.349 16.908 23.886 1.00 0.00 C ATOM 782 CG GLN A 49 29.695 17.516 22.524 1.00 0.00 C ATOM 783 CD GLN A 49 31.075 18.159 22.514 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.609 18.501 23.565 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.877 18.138 21.450 1.00 0.00 N ATOM 0 H GLN A 49 28.493 16.156 26.092 1.00 0.00 H new ATOM 0 HA GLN A 49 28.389 18.628 24.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.228 16.967 24.527 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.125 15.850 23.748 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.653 16.739 21.760 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.946 18.263 22.261 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.509 17.864 20.539 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.859 18.395 21.547 1.00 0.00 H new ATOM 794 N LEU A 50 26.502 18.203 22.912 1.00 0.00 N ATOM 795 CA LEU A 50 25.449 17.929 21.946 1.00 0.00 C ATOM 796 C LEU A 50 26.056 17.097 20.819 1.00 0.00 C ATOM 797 O LEU A 50 27.074 17.495 20.242 1.00 0.00 O ATOM 798 CB LEU A 50 24.979 19.218 21.277 1.00 0.00 C ATOM 799 CG LEU A 50 24.423 20.319 22.176 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.059 21.530 21.317 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.276 19.885 23.090 1.00 0.00 C ATOM 0 H LEU A 50 26.887 19.146 22.857 1.00 0.00 H new ATOM 0 HA LEU A 50 24.627 17.436 22.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.819 19.632 20.719 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.210 18.958 20.550 1.00 0.00 H new ATOM 0 HG LEU A 50 25.213 20.589 22.877 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.661 22.321 21.953 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.949 21.892 20.802 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.307 21.242 20.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.948 20.734 23.690 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.444 19.525 22.484 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.618 19.086 23.748 1.00 0.00 H new ATOM 813 N GLU A 51 25.579 15.863 20.627 1.00 0.00 N ATOM 814 CA GLU A 51 26.089 14.757 19.850 1.00 0.00 C ATOM 815 C GLU A 51 25.755 14.848 18.360 1.00 0.00 C ATOM 816 O GLU A 51 24.841 15.552 17.946 1.00 0.00 O ATOM 817 CB GLU A 51 25.511 13.507 20.504 1.00 0.00 C ATOM 818 CG GLU A 51 26.210 12.240 20.010 1.00 0.00 C ATOM 819 CD GLU A 51 27.697 12.331 20.308 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.957 12.056 21.498 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.387 12.832 19.383 1.00 0.00 O ATOM 0 H GLU A 51 24.706 15.594 21.081 1.00 0.00 H new ATOM 0 HA GLU A 51 27.179 14.751 19.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.613 13.581 21.587 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.444 13.443 20.288 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.784 11.363 20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.050 12.118 18.939 1.00 0.00 H new ATOM 828 N ASP A 52 26.665 14.254 17.584 1.00 0.00 N ATOM 829 CA ASP A 52 26.734 14.299 16.132 1.00 0.00 C ATOM 830 C ASP A 52 25.486 13.594 15.585 1.00 0.00 C ATOM 831 O ASP A 52 25.363 12.386 15.814 1.00 0.00 O ATOM 832 CB ASP A 52 27.995 13.605 15.627 1.00 0.00 C ATOM 833 CG ASP A 52 28.544 14.037 14.270 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.211 15.110 13.709 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.512 13.402 13.813 1.00 0.00 O ATOM 0 H ASP A 52 27.418 13.695 17.984 1.00 0.00 H new ATOM 0 HA ASP A 52 26.771 15.334 15.792 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.780 13.752 16.369 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.795 12.534 15.583 1.00 0.00 H new ATOM 840 N GLY A 53 24.648 14.271 14.806 1.00 0.00 N ATOM 841 CA GLY A 53 23.610 13.710 13.972 1.00 0.00 C ATOM 842 C GLY A 53 22.223 14.273 14.278 1.00 0.00 C ATOM 843 O GLY A 53 21.261 13.645 13.862 1.00 0.00 O ATOM 0 H GLY A 53 24.684 15.288 14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.850 13.901 12.926 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.593 12.628 14.103 1.00 0.00 H new ATOM 847 N ARG A 54 22.123 15.383 15.002 1.00 0.00 N ATOM 848 CA ARG A 54 20.914 15.807 15.682 1.00 0.00 C ATOM 849 C ARG A 54 20.573 17.285 15.476 1.00 0.00 C ATOM 850 O ARG A 54 21.422 18.164 15.416 1.00 0.00 O ATOM 851 CB ARG A 54 20.807 15.276 17.119 1.00 0.00 C ATOM 852 CG ARG A 54 21.005 13.756 17.123 1.00 0.00 C ATOM 853 CD ARG A 54 20.489 13.083 18.389 1.00 0.00 C ATOM 854 NE ARG A 54 21.342 11.982 18.835 1.00 0.00 N ATOM 855 CZ ARG A 54 21.207 11.275 19.955 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.109 11.456 20.703 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.174 10.417 20.328 1.00 0.00 N ATOM 0 H ARG A 54 22.904 16.026 15.133 1.00 0.00 H new ATOM 0 HA ARG A 54 20.089 15.307 15.175 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.558 15.752 17.750 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.833 15.527 17.538 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.496 13.328 16.259 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.066 13.535 17.009 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.415 13.824 19.185 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.482 12.706 18.210 1.00 0.00 H new ATOM 0 HE ARG A 54 22.120 11.730 18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.397 12.125 20.410 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.986 10.925 21.565 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.009 10.309 19.753 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.072 9.875 21.186 1.00 0.00 H new ATOM 871 N THR A 55 19.276 17.540 15.445 1.00 0.00 N ATOM 872 CA THR A 55 18.680 18.860 15.303 1.00 0.00 C ATOM 873 C THR A 55 18.079 19.242 16.658 1.00 0.00 C ATOM 874 O THR A 55 17.616 18.435 17.456 1.00 0.00 O ATOM 875 CB THR A 55 17.619 18.837 14.206 1.00 0.00 C ATOM 876 OG1 THR A 55 16.573 17.881 14.298 1.00 0.00 O ATOM 877 CG2 THR A 55 18.249 18.440 12.870 1.00 0.00 C ATOM 0 H THR A 55 18.578 16.800 15.521 1.00 0.00 H new ATOM 0 HA THR A 55 19.426 19.600 15.013 1.00 0.00 H new ATOM 0 HB THR A 55 17.213 19.844 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.969 17.982 13.533 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.482 18.427 12.096 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.022 19.161 12.604 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.693 17.448 12.957 1.00 0.00 H new ATOM 885 N LEU A 56 18.059 20.549 16.932 1.00 0.00 N ATOM 886 CA LEU A 56 17.533 21.305 18.050 1.00 0.00 C ATOM 887 C LEU A 56 16.259 20.759 18.691 1.00 0.00 C ATOM 888 O LEU A 56 16.241 20.523 19.892 1.00 0.00 O ATOM 889 CB LEU A 56 17.440 22.772 17.636 1.00 0.00 C ATOM 890 CG LEU A 56 18.625 23.463 16.951 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.630 24.985 17.113 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.947 22.878 17.451 1.00 0.00 C ATOM 0 H LEU A 56 18.481 21.191 16.261 1.00 0.00 H new ATOM 0 HA LEU A 56 18.237 21.198 18.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.584 22.864 16.968 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.208 23.346 18.533 1.00 0.00 H new ATOM 0 HG LEU A 56 18.510 23.267 15.885 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.498 25.402 16.602 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.720 25.400 16.680 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.676 25.238 18.172 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.778 23.380 16.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.026 23.025 18.528 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.981 21.812 17.227 1.00 0.00 H new ATOM 904 N SER A 57 15.240 20.415 17.900 1.00 0.00 N ATOM 905 CA SER A 57 13.978 19.898 18.379 1.00 0.00 C ATOM 906 C SER A 57 13.940 18.392 18.658 1.00 0.00 C ATOM 907 O SER A 57 13.023 17.934 19.327 1.00 0.00 O ATOM 908 CB SER A 57 12.885 20.196 17.355 1.00 0.00 C ATOM 909 OG SER A 57 13.115 19.544 16.130 1.00 0.00 O ATOM 0 H SER A 57 15.282 20.494 16.884 1.00 0.00 H new ATOM 0 HA SER A 57 13.824 20.399 19.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.920 19.885 17.755 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.829 21.272 17.188 1.00 0.00 H new ATOM 0 HG SER A 57 12.392 19.760 15.504 1.00 0.00 H new ATOM 915 N ASP A 58 15.007 17.656 18.322 1.00 0.00 N ATOM 916 CA ASP A 58 15.196 16.243 18.567 1.00 0.00 C ATOM 917 C ASP A 58 16.114 16.100 19.783 1.00 0.00 C ATOM 918 O ASP A 58 16.238 15.008 20.311 1.00 0.00 O ATOM 919 CB ASP A 58 16.085 15.697 17.452 1.00 0.00 C ATOM 920 CG ASP A 58 16.142 14.195 17.215 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.113 13.565 17.563 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.090 13.803 16.498 1.00 0.00 O ATOM 0 H ASP A 58 15.806 18.070 17.841 1.00 0.00 H new ATOM 0 HA ASP A 58 14.225 15.757 18.664 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.766 16.164 16.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.102 16.037 17.647 1.00 0.00 H new ATOM 927 N TYR A 59 16.738 17.176 20.256 1.00 0.00 N ATOM 928 CA TYR A 59 17.554 17.319 21.450 1.00 0.00 C ATOM 929 C TYR A 59 16.775 17.968 22.592 1.00 0.00 C ATOM 930 O TYR A 59 17.295 18.013 23.703 1.00 0.00 O ATOM 931 CB TYR A 59 18.828 18.054 21.034 1.00 0.00 C ATOM 932 CG TYR A 59 20.107 17.357 21.433 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.327 17.078 22.788 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.005 16.969 20.429 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.537 16.490 23.170 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.102 16.197 20.845 1.00 0.00 C ATOM 937 CZ TYR A 59 22.299 15.852 22.180 1.00 0.00 C ATOM 938 OH TYR A 59 23.382 15.086 22.497 1.00 0.00 O ATOM 0 H TYR A 59 16.675 18.062 19.755 1.00 0.00 H new ATOM 0 HA TYR A 59 17.839 16.352 21.864 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.821 18.184 19.952 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.819 19.051 21.475 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.574 17.313 23.526 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.862 17.248 19.395 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.874 16.526 24.195 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.815 15.860 20.107 1.00 0.00 H new ATOM 0 HH TYR A 59 23.314 14.220 22.044 1.00 0.00 H new ATOM 948 N ASN A 60 15.631 18.548 22.209 1.00 0.00 N ATOM 949 CA ASN A 60 14.731 19.319 23.046 1.00 0.00 C ATOM 950 C ASN A 60 15.334 20.691 23.364 1.00 0.00 C ATOM 951 O ASN A 60 15.102 21.116 24.499 1.00 0.00 O ATOM 952 CB ASN A 60 14.252 18.560 24.279 1.00 0.00 C ATOM 953 CG ASN A 60 13.013 19.001 25.044 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.268 19.910 24.677 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.714 18.251 26.102 1.00 0.00 N ATOM 0 H ASN A 60 15.298 18.482 21.247 1.00 0.00 H new ATOM 0 HA ASN A 60 13.820 19.493 22.474 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.086 17.527 23.972 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.079 18.553 24.989 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.855 18.425 26.624 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.344 17.502 26.391 1.00 0.00 H new ATOM 962 N ILE A 61 16.001 21.391 22.459 1.00 0.00 N ATOM 963 CA ILE A 61 16.436 22.750 22.674 1.00 0.00 C ATOM 964 C ILE A 61 15.340 23.747 22.286 1.00 0.00 C ATOM 965 O ILE A 61 15.187 23.981 21.086 1.00 0.00 O ATOM 966 CB ILE A 61 17.768 23.031 21.979 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.770 21.890 22.176 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.405 24.333 22.473 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.159 22.144 21.592 1.00 0.00 C ATOM 0 H ILE A 61 16.256 21.020 21.544 1.00 0.00 H new ATOM 0 HA ILE A 61 16.617 22.883 23.741 1.00 0.00 H new ATOM 0 HB ILE A 61 17.535 23.123 20.918 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.871 21.695 23.244 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.362 20.986 21.724 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.350 24.496 21.954 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.732 25.167 22.272 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.587 24.265 23.546 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.797 21.281 21.781 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.078 22.306 20.517 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.595 23.027 22.060 1.00 0.00 H new ATOM 981 N GLN A 62 14.566 24.208 23.257 1.00 0.00 N ATOM 982 CA GLN A 62 13.482 25.168 23.332 1.00 0.00 C ATOM 983 C GLN A 62 13.974 26.611 23.243 1.00 0.00 C ATOM 984 O GLN A 62 15.149 26.917 23.452 1.00 0.00 O ATOM 985 CB GLN A 62 12.705 24.875 24.614 1.00 0.00 C ATOM 986 CG GLN A 62 11.290 25.391 24.868 1.00 0.00 C ATOM 987 CD GLN A 62 10.526 25.508 23.552 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.684 26.412 22.748 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.640 24.543 23.306 1.00 0.00 N ATOM 0 H GLN A 62 14.724 23.836 24.193 1.00 0.00 H new ATOM 0 HA GLN A 62 12.821 25.061 22.472 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.659 23.790 24.706 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.319 25.239 25.438 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.765 24.715 25.543 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.333 26.363 25.360 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.509 23.788 23.979 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.093 24.560 22.445 1.00 0.00 H new ATOM 998 N LYS A 63 13.086 27.591 23.086 1.00 0.00 N ATOM 999 CA LYS A 63 13.235 29.022 23.048 1.00 0.00 C ATOM 1000 C LYS A 63 14.027 29.538 24.256 1.00 0.00 C ATOM 1001 O LYS A 63 13.690 29.118 25.365 1.00 0.00 O ATOM 1002 CB LYS A 63 11.937 29.758 22.717 1.00 0.00 C ATOM 1003 CG LYS A 63 10.813 29.637 23.742 1.00 0.00 C ATOM 1004 CD LYS A 63 10.769 30.795 24.735 1.00 0.00 C ATOM 1005 CE LYS A 63 10.297 32.126 24.151 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.517 33.240 25.077 1.00 0.00 N ATOM 0 H LYS A 63 12.103 27.347 22.966 1.00 0.00 H new ATOM 0 HA LYS A 63 13.860 29.275 22.192 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.167 30.815 22.584 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.569 29.389 21.760 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.859 29.581 23.218 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.931 28.702 24.290 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.110 30.523 25.559 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.765 30.932 25.155 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.826 32.320 23.218 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.236 32.060 23.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.561 34.132 24.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.734 33.284 25.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.412 33.097 25.586 1.00 0.00 H new ATOM 1020 N GLU A 64 14.906 30.511 24.072 1.00 0.00 N ATOM 1021 CA GLU A 64 15.846 31.188 24.943 1.00 0.00 C ATOM 1022 C GLU A 64 16.492 30.247 25.958 1.00 0.00 C ATOM 1023 O GLU A 64 16.736 30.588 27.120 1.00 0.00 O ATOM 1024 CB GLU A 64 15.115 32.333 25.654 1.00 0.00 C ATOM 1025 CG GLU A 64 14.988 33.441 24.613 1.00 0.00 C ATOM 1026 CD GLU A 64 13.556 33.940 24.726 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.865 33.982 25.761 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.079 34.310 23.630 1.00 0.00 O ATOM 0 H GLU A 64 14.983 30.910 23.136 1.00 0.00 H new ATOM 0 HA GLU A 64 16.660 31.578 24.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.135 32.013 26.009 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.674 32.675 26.525 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.700 34.244 24.805 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.195 33.064 23.611 1.00 0.00 H new ATOM 1035 N SER A 65 16.883 29.075 25.467 1.00 0.00 N ATOM 1036 CA SER A 65 17.934 28.227 26.012 1.00 0.00 C ATOM 1037 C SER A 65 19.298 28.910 26.060 1.00 0.00 C ATOM 1038 O SER A 65 19.581 29.661 25.123 1.00 0.00 O ATOM 1039 CB SER A 65 18.087 26.913 25.245 1.00 0.00 C ATOM 1040 OG SER A 65 16.855 26.227 25.321 1.00 0.00 O ATOM 0 H SER A 65 16.452 28.672 24.635 1.00 0.00 H new ATOM 0 HA SER A 65 17.606 28.021 27.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.354 27.105 24.206 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.888 26.310 25.674 1.00 0.00 H new ATOM 0 HG SER A 65 16.329 26.409 24.515 1.00 0.00 H new ATOM 1046 N THR A 66 20.068 28.532 27.078 1.00 0.00 N ATOM 1047 CA THR A 66 21.470 28.839 27.273 1.00 0.00 C ATOM 1048 C THR A 66 22.161 27.489 27.129 1.00 0.00 C ATOM 1049 O THR A 66 21.729 26.530 27.785 1.00 0.00 O ATOM 1050 CB THR A 66 21.752 29.538 28.603 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.156 30.807 28.460 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.226 29.731 28.984 1.00 0.00 C ATOM 0 H THR A 66 19.695 27.963 27.838 1.00 0.00 H new ATOM 0 HA THR A 66 21.843 29.563 26.549 1.00 0.00 H new ATOM 0 HB THR A 66 21.361 28.909 29.403 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.291 31.326 29.280 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.290 30.238 29.947 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.714 28.759 29.053 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.723 30.334 28.223 1.00 0.00 H new ATOM 1060 N LEU A 67 23.132 27.483 26.233 1.00 0.00 N ATOM 1061 CA LEU A 67 24.087 26.413 25.989 1.00 0.00 C ATOM 1062 C LEU A 67 25.477 27.042 26.127 1.00 0.00 C ATOM 1063 O LEU A 67 25.690 28.248 25.988 1.00 0.00 O ATOM 1064 CB LEU A 67 23.861 25.594 24.725 1.00 0.00 C ATOM 1065 CG LEU A 67 22.401 25.333 24.377 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.590 26.414 23.671 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.230 23.999 23.637 1.00 0.00 C ATOM 0 H LEU A 67 23.286 28.279 25.614 1.00 0.00 H new ATOM 0 HA LEU A 67 23.954 25.625 26.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.331 26.109 23.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.369 24.636 24.836 1.00 0.00 H new ATOM 0 HG LEU A 67 21.962 25.317 25.375 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.574 26.056 23.503 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.561 27.310 24.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.054 26.650 22.714 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.176 23.845 23.404 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.807 24.019 22.712 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.585 23.185 24.268 1.00 0.00 H new ATOM 1079 N HIS A 68 26.434 26.148 26.350 1.00 0.00 N ATOM 1080 CA HIS A 68 27.698 26.432 27.004 1.00 0.00 C ATOM 1081 C HIS A 68 28.706 25.900 25.977 1.00 0.00 C ATOM 1082 O HIS A 68 28.769 24.741 25.575 1.00 0.00 O ATOM 1083 CB HIS A 68 27.789 25.587 28.272 1.00 0.00 C ATOM 1084 CG HIS A 68 26.534 25.691 29.096 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.444 24.870 28.834 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.219 26.654 30.022 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.464 25.479 29.516 1.00 0.00 C ATOM 1088 NE2 HIS A 68 24.855 26.528 30.241 1.00 0.00 N ATOM 0 H HIS A 68 26.344 25.172 26.069 1.00 0.00 H new ATOM 0 HA HIS A 68 27.845 27.476 27.280 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.964 24.545 28.004 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.643 25.911 28.866 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.892 27.362 30.483 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.437 25.146 29.481 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.271 27.117 30.835 1.00 0.00 H new ATOM 1096 N LEU A 69 29.428 26.875 25.442 1.00 0.00 N ATOM 1097 CA LEU A 69 30.526 26.719 24.506 1.00 0.00 C ATOM 1098 C LEU A 69 31.870 26.633 25.237 1.00 0.00 C ATOM 1099 O LEU A 69 32.133 27.548 26.013 1.00 0.00 O ATOM 1100 CB LEU A 69 30.604 27.846 23.476 1.00 0.00 C ATOM 1101 CG LEU A 69 31.877 27.867 22.620 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.167 26.548 21.895 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.941 29.043 21.639 1.00 0.00 C ATOM 0 H LEU A 69 29.250 27.854 25.665 1.00 0.00 H new ATOM 0 HA LEU A 69 30.324 25.788 23.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.742 27.770 22.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.522 28.799 23.998 1.00 0.00 H new ATOM 0 HG LEU A 69 32.670 28.009 23.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.083 26.647 21.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.287 25.749 22.627 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.338 26.309 21.229 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.869 28.991 21.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.092 28.994 20.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.908 29.981 22.193 1.00 0.00 H new ATOM 1115 N VAL A 70 32.631 25.550 25.080 1.00 0.00 N ATOM 1116 CA VAL A 70 33.975 25.346 25.577 1.00 0.00 C ATOM 1117 C VAL A 70 34.850 24.918 24.398 1.00 0.00 C ATOM 1118 O VAL A 70 34.281 24.319 23.485 1.00 0.00 O ATOM 1119 CB VAL A 70 34.012 24.501 26.849 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.150 24.892 28.042 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.800 23.037 26.458 1.00 0.00 C ATOM 0 H VAL A 70 32.292 24.739 24.563 1.00 0.00 H new ATOM 0 HA VAL A 70 34.418 26.269 25.952 1.00 0.00 H new ATOM 0 HB VAL A 70 35.001 24.700 27.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.305 24.180 28.852 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.427 25.891 28.379 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.100 24.886 27.750 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.823 22.415 27.352 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.834 22.928 25.965 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.592 22.724 25.778 1.00 0.00 H new ATOM 1131 N LEU A 71 36.163 25.143 24.417 1.00 0.00 N ATOM 1132 CA LEU A 71 36.988 24.899 23.249 1.00 0.00 C ATOM 1133 C LEU A 71 38.164 23.966 23.547 1.00 0.00 C ATOM 1134 O LEU A 71 38.600 23.946 24.694 1.00 0.00 O ATOM 1135 CB LEU A 71 37.312 26.201 22.519 1.00 0.00 C ATOM 1136 CG LEU A 71 37.901 27.361 23.328 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.308 27.232 23.920 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.873 28.593 22.437 1.00 0.00 C ATOM 0 H LEU A 71 36.671 25.493 25.229 1.00 0.00 H new ATOM 0 HA LEU A 71 36.414 24.326 22.521 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.011 25.967 21.716 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.395 26.556 22.049 1.00 0.00 H new ATOM 0 HG LEU A 71 37.271 27.399 24.217 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.561 28.145 24.459 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.338 26.385 24.606 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.028 27.074 23.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.286 29.444 22.979 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.469 28.409 21.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.844 28.811 22.149 1.00 0.00 H new