USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 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 25 ASN : amide:sc= 0.854 K(o=1.9,f=-7.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 174:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -85:sc= 1.02 USER MOD Set 2.2: A 9 THR OG1 : rot 51:sc= 0.709 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.339) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.47 (180deg=2.47) USER MOD Single : A 2 GLN : amide:sc= 0.336 K(o=0.34,f=-6.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.23 (180deg=-0.401!) 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 180:sc= -0.0076 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0.137 K(o=0.14,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.23 K(o=-1.2,f=-3) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.828 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.876 K(o=-0.88,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.258 31.200 16.601 1.00 0.00 N ATOM 2 CA MET A 1 13.138 31.159 18.066 1.00 0.00 C ATOM 3 C MET A 1 14.548 31.428 18.581 1.00 0.00 C ATOM 4 O MET A 1 15.512 31.225 17.848 1.00 0.00 O ATOM 5 CB MET A 1 12.527 29.817 18.483 1.00 0.00 C ATOM 6 CG MET A 1 13.468 28.609 18.456 1.00 0.00 C ATOM 7 SD MET A 1 12.789 27.142 19.263 1.00 0.00 S ATOM 8 CE MET A 1 14.266 26.362 19.944 1.00 0.00 C ATOM 0 H1 MET A 1 12.327 31.024 16.171 1.00 0.00 H new ATOM 0 H2 MET A 1 13.603 32.136 16.307 1.00 0.00 H new ATOM 0 H3 MET A 1 13.928 30.469 16.287 1.00 0.00 H new ATOM 0 HA MET A 1 12.465 31.902 18.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.130 29.920 19.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.681 29.607 17.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.704 28.366 17.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.406 28.879 18.942 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.032 25.341 20.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.051 26.347 19.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.608 26.926 20.811 1.00 0.00 H new ATOM 20 N GLN A 2 14.758 31.947 19.789 1.00 0.00 N ATOM 21 CA GLN A 2 16.000 32.366 20.407 1.00 0.00 C ATOM 22 C GLN A 2 16.535 31.236 21.302 1.00 0.00 C ATOM 23 O GLN A 2 15.729 30.583 21.967 1.00 0.00 O ATOM 24 CB GLN A 2 15.769 33.624 21.239 1.00 0.00 C ATOM 25 CG GLN A 2 14.692 33.696 22.326 1.00 0.00 C ATOM 26 CD GLN A 2 13.231 33.833 21.936 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.793 33.536 20.825 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.355 34.328 22.808 1.00 0.00 N ATOM 0 H GLN A 2 13.972 32.098 20.422 1.00 0.00 H new ATOM 0 HA GLN A 2 16.732 32.587 19.630 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.718 33.859 21.721 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.560 34.431 20.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.783 32.795 22.933 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.937 34.541 22.970 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.661 34.592 23.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.378 34.443 22.540 1.00 0.00 H new ATOM 37 N ILE A 3 17.840 31.013 21.378 1.00 0.00 N ATOM 38 CA ILE A 3 18.673 30.447 22.425 1.00 0.00 C ATOM 39 C ILE A 3 19.866 31.395 22.573 1.00 0.00 C ATOM 40 O ILE A 3 20.175 32.135 21.648 1.00 0.00 O ATOM 41 CB ILE A 3 19.001 28.970 22.249 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.804 28.701 20.972 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.848 27.994 22.498 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.588 27.388 20.983 1.00 0.00 C ATOM 0 H ILE A 3 18.424 31.266 20.581 1.00 0.00 H new ATOM 0 HA ILE A 3 18.134 30.397 23.371 1.00 0.00 H new ATOM 0 HB ILE A 3 19.666 28.736 23.080 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.121 28.695 20.123 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.501 29.525 20.815 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.196 26.973 22.344 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.492 28.105 23.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.034 28.208 21.805 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.127 27.278 20.042 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.299 27.396 21.809 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.898 26.553 21.106 1.00 0.00 H new ATOM 56 N PHE A 4 20.512 31.350 23.729 1.00 0.00 N ATOM 57 CA PHE A 4 21.710 32.090 24.080 1.00 0.00 C ATOM 58 C PHE A 4 22.913 31.150 23.948 1.00 0.00 C ATOM 59 O PHE A 4 22.860 29.987 24.330 1.00 0.00 O ATOM 60 CB PHE A 4 21.763 32.657 25.502 1.00 0.00 C ATOM 61 CG PHE A 4 20.526 33.446 25.855 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.263 34.671 25.222 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.582 32.895 26.738 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.980 35.211 25.355 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.423 33.614 27.056 1.00 0.00 C ATOM 66 CZ PHE A 4 18.067 34.741 26.322 1.00 0.00 C ATOM 0 H PHE A 4 20.191 30.757 24.494 1.00 0.00 H new ATOM 0 HA PHE A 4 21.717 32.942 23.401 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.883 31.839 26.212 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.639 33.297 25.602 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.026 35.179 24.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.750 31.920 27.170 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.679 36.013 24.697 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.801 33.291 27.877 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.123 35.239 26.487 1.00 0.00 H new ATOM 76 N VAL A 5 24.017 31.651 23.407 1.00 0.00 N ATOM 77 CA VAL A 5 25.286 30.946 23.351 1.00 0.00 C ATOM 78 C VAL A 5 26.068 31.712 24.417 1.00 0.00 C ATOM 79 O VAL A 5 26.537 32.828 24.217 1.00 0.00 O ATOM 80 CB VAL A 5 25.932 31.022 21.962 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.312 30.375 21.808 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.038 30.391 20.901 1.00 0.00 C ATOM 0 H VAL A 5 24.053 32.580 22.986 1.00 0.00 H new ATOM 0 HA VAL A 5 25.224 29.872 23.527 1.00 0.00 H new ATOM 0 HB VAL A 5 26.062 32.096 21.830 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.658 30.497 20.782 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.016 30.854 22.488 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.244 29.313 22.045 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.524 30.461 19.928 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.866 29.343 21.147 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.084 30.917 20.869 1.00 0.00 H new ATOM 92 N LYS A 6 26.345 31.061 25.548 1.00 0.00 N ATOM 93 CA LYS A 6 27.046 31.596 26.692 1.00 0.00 C ATOM 94 C LYS A 6 28.438 30.944 26.688 1.00 0.00 C ATOM 95 O LYS A 6 28.688 29.748 26.638 1.00 0.00 O ATOM 96 CB LYS A 6 26.279 31.188 27.952 1.00 0.00 C ATOM 97 CG LYS A 6 26.869 31.867 29.193 1.00 0.00 C ATOM 98 CD LYS A 6 26.041 31.533 30.436 1.00 0.00 C ATOM 99 CE LYS A 6 26.696 32.192 31.648 1.00 0.00 C ATOM 100 NZ LYS A 6 27.800 31.376 32.166 1.00 0.00 N ATOM 0 H LYS A 6 26.065 30.090 25.687 1.00 0.00 H new ATOM 0 HA LYS A 6 27.129 32.682 26.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.229 31.460 27.848 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.317 30.105 28.072 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.899 31.541 29.337 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.894 32.947 29.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.018 31.891 30.317 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.986 30.453 30.576 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.068 33.178 31.371 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.952 32.340 32.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.225 31.849 32.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.438 30.444 32.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.520 31.256 31.425 1.00 0.00 H new ATOM 114 N THR A 7 29.435 31.786 26.454 1.00 0.00 N ATOM 115 CA THR A 7 30.846 31.497 26.259 1.00 0.00 C ATOM 116 C THR A 7 31.416 31.277 27.660 1.00 0.00 C ATOM 117 O THR A 7 31.003 31.785 28.694 1.00 0.00 O ATOM 118 CB THR A 7 31.470 32.598 25.394 1.00 0.00 C ATOM 119 OG1 THR A 7 31.812 33.789 26.074 1.00 0.00 O ATOM 120 CG2 THR A 7 30.626 32.938 24.166 1.00 0.00 C ATOM 0 H THR A 7 29.256 32.788 26.390 1.00 0.00 H new ATOM 0 HA THR A 7 31.069 30.594 25.691 1.00 0.00 H new ATOM 0 HB THR A 7 32.409 32.144 25.077 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.026 34.372 26.129 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.118 33.723 23.592 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.515 32.050 23.544 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.643 33.283 24.485 1.00 0.00 H new ATOM 128 N LEU A 8 32.421 30.401 27.728 1.00 0.00 N ATOM 129 CA LEU A 8 33.278 30.202 28.877 1.00 0.00 C ATOM 130 C LEU A 8 34.158 31.412 29.176 1.00 0.00 C ATOM 131 O LEU A 8 34.486 31.731 30.311 1.00 0.00 O ATOM 132 CB LEU A 8 34.099 28.917 28.816 1.00 0.00 C ATOM 133 CG LEU A 8 35.239 28.580 29.789 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.686 28.546 31.212 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.083 27.318 29.576 1.00 0.00 C ATOM 0 H LEU A 8 32.662 29.791 26.947 1.00 0.00 H new ATOM 0 HA LEU A 8 32.591 30.086 29.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.385 28.096 28.887 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.531 28.879 27.816 1.00 0.00 H new ATOM 0 HG LEU A 8 35.948 29.382 29.585 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.489 28.307 31.909 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.266 29.520 31.462 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.908 27.786 31.282 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.837 27.248 30.360 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.439 26.439 29.612 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.574 27.368 28.604 1.00 0.00 H new ATOM 147 N THR A 9 34.333 32.226 28.142 1.00 0.00 N ATOM 148 CA THR A 9 34.901 33.556 28.193 1.00 0.00 C ATOM 149 C THR A 9 33.891 34.604 28.688 1.00 0.00 C ATOM 150 O THR A 9 34.218 35.766 28.912 1.00 0.00 O ATOM 151 CB THR A 9 35.428 33.823 26.785 1.00 0.00 C ATOM 152 OG1 THR A 9 34.633 33.329 25.736 1.00 0.00 O ATOM 153 CG2 THR A 9 36.782 33.185 26.483 1.00 0.00 C ATOM 0 H THR A 9 34.066 31.955 27.196 1.00 0.00 H new ATOM 0 HA THR A 9 35.709 33.628 28.922 1.00 0.00 H new ATOM 0 HB THR A 9 35.456 34.912 26.810 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.705 33.617 25.865 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.078 33.426 25.462 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.528 33.569 27.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.707 32.103 26.593 1.00 0.00 H new ATOM 161 N GLY A 10 32.672 34.165 28.964 1.00 0.00 N ATOM 162 CA GLY A 10 31.734 34.892 29.814 1.00 0.00 C ATOM 163 C GLY A 10 30.692 35.658 29.002 1.00 0.00 C ATOM 164 O GLY A 10 29.595 35.813 29.544 1.00 0.00 O ATOM 0 H GLY A 10 32.300 33.287 28.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.230 34.190 30.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.284 35.590 30.445 1.00 0.00 H new ATOM 168 N LYS A 11 30.950 36.081 27.770 1.00 0.00 N ATOM 169 CA LYS A 11 30.156 36.823 26.807 1.00 0.00 C ATOM 170 C LYS A 11 28.950 35.961 26.416 1.00 0.00 C ATOM 171 O LYS A 11 29.100 34.751 26.275 1.00 0.00 O ATOM 172 CB LYS A 11 31.038 37.284 25.651 1.00 0.00 C ATOM 173 CG LYS A 11 30.397 37.769 24.353 1.00 0.00 C ATOM 174 CD LYS A 11 31.410 37.975 23.228 1.00 0.00 C ATOM 175 CE LYS A 11 30.813 38.505 21.920 1.00 0.00 C ATOM 176 NZ LYS A 11 31.681 38.411 20.743 1.00 0.00 N ATOM 0 H LYS A 11 31.865 35.876 27.367 1.00 0.00 H new ATOM 0 HA LYS A 11 29.751 37.745 27.225 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.667 38.092 26.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.700 36.456 25.397 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.648 37.046 24.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.875 38.707 24.541 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.176 38.670 23.570 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.907 37.026 23.027 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.892 37.959 21.715 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.539 39.550 22.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.098 38.398 19.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.320 39.231 20.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.242 37.537 20.794 1.00 0.00 H new ATOM 190 N THR A 12 27.805 36.619 26.292 1.00 0.00 N ATOM 191 CA THR A 12 26.510 36.052 25.969 1.00 0.00 C ATOM 192 C THR A 12 26.099 36.677 24.639 1.00 0.00 C ATOM 193 O THR A 12 25.756 37.857 24.495 1.00 0.00 O ATOM 194 CB THR A 12 25.422 36.235 27.027 1.00 0.00 C ATOM 195 OG1 THR A 12 25.784 35.552 28.206 1.00 0.00 O ATOM 196 CG2 THR A 12 24.131 35.554 26.571 1.00 0.00 C ATOM 0 H THR A 12 27.757 37.629 26.424 1.00 0.00 H new ATOM 0 HA THR A 12 26.614 34.968 25.918 1.00 0.00 H new ATOM 0 HB THR A 12 25.295 37.306 27.184 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.085 35.673 28.882 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.361 35.689 27.330 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.797 35.998 25.633 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.313 34.489 26.424 1.00 0.00 H new ATOM 204 N ILE A 13 26.046 35.849 23.606 1.00 0.00 N ATOM 205 CA ILE A 13 25.644 36.048 22.225 1.00 0.00 C ATOM 206 C ILE A 13 24.232 35.495 22.098 1.00 0.00 C ATOM 207 O ILE A 13 23.962 34.427 22.634 1.00 0.00 O ATOM 208 CB ILE A 13 26.496 35.151 21.328 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.017 35.304 21.405 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.110 35.424 19.881 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.834 34.139 20.830 1.00 0.00 C ATOM 0 H ILE A 13 26.327 34.878 23.743 1.00 0.00 H new ATOM 0 HA ILE A 13 25.734 37.100 21.954 1.00 0.00 H new ATOM 0 HB ILE A 13 26.284 34.146 21.692 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.299 36.216 20.878 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.298 35.439 22.450 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.706 34.794 19.220 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.053 35.201 19.738 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.295 36.472 19.647 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.897 34.353 20.937 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.592 33.224 21.370 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.594 34.012 19.774 1.00 0.00 H new ATOM 223 N THR A 14 23.311 36.146 21.403 1.00 0.00 N ATOM 224 CA THR A 14 21.936 35.746 21.124 1.00 0.00 C ATOM 225 C THR A 14 21.900 35.211 19.694 1.00 0.00 C ATOM 226 O THR A 14 22.226 35.938 18.756 1.00 0.00 O ATOM 227 CB THR A 14 21.000 36.938 21.280 1.00 0.00 C ATOM 228 OG1 THR A 14 21.251 37.661 22.463 1.00 0.00 O ATOM 229 CG2 THR A 14 19.501 36.612 21.225 1.00 0.00 C ATOM 0 H THR A 14 23.525 37.050 20.981 1.00 0.00 H new ATOM 0 HA THR A 14 21.605 34.978 21.823 1.00 0.00 H new ATOM 0 HB THR A 14 21.230 37.541 20.402 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.630 38.417 22.522 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.925 37.529 21.346 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.262 36.158 20.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.250 35.917 22.027 1.00 0.00 H new ATOM 237 N LEU A 15 21.319 34.026 19.536 1.00 0.00 N ATOM 238 CA LEU A 15 21.013 33.486 18.225 1.00 0.00 C ATOM 239 C LEU A 15 19.516 33.643 17.952 1.00 0.00 C ATOM 240 O LEU A 15 18.788 33.919 18.898 1.00 0.00 O ATOM 241 CB LEU A 15 21.148 31.967 18.219 1.00 0.00 C ATOM 242 CG LEU A 15 22.579 31.453 18.324 1.00 0.00 C ATOM 243 CD1 LEU A 15 22.448 29.974 18.685 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.500 31.789 17.152 1.00 0.00 C ATOM 0 H LEU A 15 21.050 33.420 20.311 1.00 0.00 H new ATOM 0 HA LEU A 15 21.674 33.993 17.523 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.569 31.561 19.049 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.704 31.580 17.302 1.00 0.00 H new ATOM 0 HG LEU A 15 23.126 31.986 19.102 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.440 29.533 18.778 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.917 29.876 19.632 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.893 29.456 17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.490 31.373 17.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.093 31.363 16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.575 32.871 17.047 1.00 0.00 H new ATOM 256 N GLU A 16 19.173 33.405 16.685 1.00 0.00 N ATOM 257 CA GLU A 16 17.809 33.273 16.228 1.00 0.00 C ATOM 258 C GLU A 16 17.919 32.102 15.247 1.00 0.00 C ATOM 259 O GLU A 16 18.710 32.215 14.310 1.00 0.00 O ATOM 260 CB GLU A 16 17.288 34.595 15.673 1.00 0.00 C ATOM 261 CG GLU A 16 16.207 35.352 16.451 1.00 0.00 C ATOM 262 CD GLU A 16 14.880 34.620 16.601 1.00 0.00 C ATOM 263 OE1 GLU A 16 14.726 33.482 16.107 1.00 0.00 O ATOM 264 OE2 GLU A 16 13.945 35.315 17.074 1.00 0.00 O ATOM 0 H GLU A 16 19.860 33.298 15.939 1.00 0.00 H new ATOM 0 HA GLU A 16 17.061 33.058 16.991 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.141 35.264 15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.900 34.402 14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.591 35.581 17.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.024 36.304 15.953 1.00 0.00 H new ATOM 271 N VAL A 17 17.267 30.983 15.538 1.00 0.00 N ATOM 272 CA VAL A 17 17.527 29.678 14.971 1.00 0.00 C ATOM 273 C VAL A 17 16.151 29.001 14.960 1.00 0.00 C ATOM 274 O VAL A 17 15.183 29.525 15.491 1.00 0.00 O ATOM 275 CB VAL A 17 18.555 28.872 15.771 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.920 29.277 15.232 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.660 29.081 17.285 1.00 0.00 C ATOM 0 H VAL A 17 16.503 30.968 16.213 1.00 0.00 H new ATOM 0 HA VAL A 17 17.971 29.750 13.978 1.00 0.00 H new ATOM 0 HB VAL A 17 18.228 27.840 15.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.698 28.732 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 17 19.976 29.041 14.169 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.064 30.348 15.374 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.436 28.431 17.689 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.913 30.121 17.492 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.705 28.840 17.753 1.00 0.00 H new ATOM 287 N GLU A 18 16.010 27.877 14.264 1.00 0.00 N ATOM 288 CA GLU A 18 14.867 26.991 14.318 1.00 0.00 C ATOM 289 C GLU A 18 15.283 25.883 15.279 1.00 0.00 C ATOM 290 O GLU A 18 16.452 25.566 15.462 1.00 0.00 O ATOM 291 CB GLU A 18 14.660 26.613 12.850 1.00 0.00 C ATOM 292 CG GLU A 18 13.985 27.690 11.996 1.00 0.00 C ATOM 293 CD GLU A 18 12.524 27.977 12.257 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.013 28.245 13.370 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.722 27.757 11.315 1.00 0.00 O ATOM 0 H GLU A 18 16.728 27.549 13.618 1.00 0.00 H new ATOM 0 HA GLU A 18 13.914 27.363 14.695 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.629 26.376 12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.059 25.705 12.805 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.539 28.620 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.089 27.403 10.950 1.00 0.00 H new ATOM 302 N PRO A 19 14.377 25.082 15.850 1.00 0.00 N ATOM 303 CA PRO A 19 14.691 23.825 16.485 1.00 0.00 C ATOM 304 C PRO A 19 15.036 22.662 15.549 1.00 0.00 C ATOM 305 O PRO A 19 15.308 21.556 16.021 1.00 0.00 O ATOM 306 CB PRO A 19 13.456 23.560 17.356 1.00 0.00 C ATOM 307 CG PRO A 19 12.363 24.103 16.437 1.00 0.00 C ATOM 308 CD PRO A 19 12.958 25.384 15.845 1.00 0.00 C ATOM 0 HA PRO A 19 15.621 23.896 17.049 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.324 22.502 17.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.498 24.086 18.310 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.109 23.386 15.656 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.447 24.310 16.990 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.586 25.581 14.840 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.724 26.261 16.449 1.00 0.00 H new ATOM 316 N SER A 20 14.898 22.857 14.238 1.00 0.00 N ATOM 317 CA SER A 20 15.180 21.893 13.186 1.00 0.00 C ATOM 318 C SER A 20 16.606 22.089 12.662 1.00 0.00 C ATOM 319 O SER A 20 16.999 21.348 11.760 1.00 0.00 O ATOM 320 CB SER A 20 14.144 22.119 12.090 1.00 0.00 C ATOM 321 OG SER A 20 14.079 23.466 11.668 1.00 0.00 O ATOM 0 H SER A 20 14.566 23.746 13.864 1.00 0.00 H new ATOM 0 HA SER A 20 15.117 20.869 13.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.382 21.486 11.235 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.164 21.809 12.453 1.00 0.00 H new ATOM 0 HG SER A 20 13.402 23.556 10.965 1.00 0.00 H new ATOM 327 N ASP A 21 17.407 23.031 13.136 1.00 0.00 N ATOM 328 CA ASP A 21 18.768 23.354 12.752 1.00 0.00 C ATOM 329 C ASP A 21 19.593 22.271 13.467 1.00 0.00 C ATOM 330 O ASP A 21 19.433 22.004 14.653 1.00 0.00 O ATOM 331 CB ASP A 21 19.204 24.717 13.276 1.00 0.00 C ATOM 332 CG ASP A 21 18.676 25.918 12.529 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.236 25.774 11.361 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.608 27.039 13.086 1.00 0.00 O ATOM 0 H ASP A 21 17.083 23.652 13.877 1.00 0.00 H new ATOM 0 HA ASP A 21 18.885 23.387 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.895 24.798 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.293 24.757 13.263 1.00 0.00 H new ATOM 339 N THR A 22 20.331 21.504 12.676 1.00 0.00 N ATOM 340 CA THR A 22 21.276 20.474 13.050 1.00 0.00 C ATOM 341 C THR A 22 22.495 21.042 13.796 1.00 0.00 C ATOM 342 O THR A 22 22.885 22.179 13.567 1.00 0.00 O ATOM 343 CB THR A 22 21.757 19.799 11.771 1.00 0.00 C ATOM 344 OG1 THR A 22 22.345 20.698 10.860 1.00 0.00 O ATOM 345 CG2 THR A 22 20.597 19.113 11.037 1.00 0.00 C ATOM 0 H THR A 22 20.274 21.601 11.662 1.00 0.00 H new ATOM 0 HA THR A 22 20.777 19.775 13.721 1.00 0.00 H new ATOM 0 HB THR A 22 22.504 19.075 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.636 20.211 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.970 18.640 10.129 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.154 18.356 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.842 19.855 10.776 1.00 0.00 H new ATOM 353 N ILE A 23 23.050 20.306 14.756 1.00 0.00 N ATOM 354 CA ILE A 23 24.361 20.640 15.268 1.00 0.00 C ATOM 355 C ILE A 23 25.465 20.452 14.218 1.00 0.00 C ATOM 356 O ILE A 23 26.186 19.454 14.165 1.00 0.00 O ATOM 357 CB ILE A 23 24.585 19.820 16.530 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.488 19.953 17.595 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.985 19.901 17.140 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.524 21.291 18.313 1.00 0.00 C ATOM 0 H ILE A 23 22.615 19.489 15.184 1.00 0.00 H new ATOM 0 HA ILE A 23 24.408 21.700 15.516 1.00 0.00 H new ATOM 0 HB ILE A 23 24.505 18.807 16.137 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.513 19.825 17.124 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.597 19.151 18.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.029 19.278 18.033 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.719 19.548 16.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.206 20.934 17.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.726 21.328 19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.487 21.411 18.810 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.386 22.095 17.591 1.00 0.00 H new ATOM 372 N GLU A 24 25.751 21.476 13.423 1.00 0.00 N ATOM 373 CA GLU A 24 26.685 21.595 12.320 1.00 0.00 C ATOM 374 C GLU A 24 26.498 23.018 11.807 1.00 0.00 C ATOM 375 O GLU A 24 27.466 23.779 11.720 1.00 0.00 O ATOM 376 CB GLU A 24 26.473 20.578 11.196 1.00 0.00 C ATOM 377 CG GLU A 24 27.612 20.307 10.215 1.00 0.00 C ATOM 378 CD GLU A 24 28.650 19.311 10.743 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.420 18.097 10.584 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.640 19.763 11.363 1.00 0.00 O ATOM 0 H GLU A 24 25.263 22.361 13.561 1.00 0.00 H new ATOM 0 HA GLU A 24 27.697 21.386 12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.205 19.628 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.610 20.905 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.195 19.925 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.110 21.248 9.980 1.00 0.00 H new ATOM 387 N ASN A 25 25.239 23.299 11.499 1.00 0.00 N ATOM 388 CA ASN A 25 24.792 24.532 10.877 1.00 0.00 C ATOM 389 C ASN A 25 25.215 25.848 11.520 1.00 0.00 C ATOM 390 O ASN A 25 25.847 26.694 10.882 1.00 0.00 O ATOM 391 CB ASN A 25 23.310 24.336 10.539 1.00 0.00 C ATOM 392 CG ASN A 25 22.672 25.486 9.768 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.578 26.589 10.287 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.238 25.232 8.530 1.00 0.00 N ATOM 0 H ASN A 25 24.475 22.649 11.683 1.00 0.00 H new ATOM 0 HA ASN A 25 25.350 24.699 9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.203 23.422 9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.757 24.188 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.808 25.974 7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.337 24.296 8.137 1.00 0.00 H new ATOM 401 N VAL A 26 24.880 25.965 12.801 1.00 0.00 N ATOM 402 CA VAL A 26 25.162 27.059 13.711 1.00 0.00 C ATOM 403 C VAL A 26 26.646 27.079 14.104 1.00 0.00 C ATOM 404 O VAL A 26 27.081 28.141 14.529 1.00 0.00 O ATOM 405 CB VAL A 26 24.149 27.212 14.839 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.425 28.446 15.703 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.694 27.081 14.383 1.00 0.00 C ATOM 0 H VAL A 26 24.355 25.225 13.267 1.00 0.00 H new ATOM 0 HA VAL A 26 25.005 27.994 13.173 1.00 0.00 H new ATOM 0 HB VAL A 26 24.295 26.354 15.495 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.677 28.512 16.493 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.416 28.364 16.148 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.378 29.342 15.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.032 27.201 15.240 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.474 27.851 13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.539 26.097 13.940 1.00 0.00 H new ATOM 417 N LYS A 27 27.437 26.024 13.987 1.00 0.00 N ATOM 418 CA LYS A 27 28.872 25.982 14.186 1.00 0.00 C ATOM 419 C LYS A 27 29.542 26.709 13.028 1.00 0.00 C ATOM 420 O LYS A 27 30.519 27.426 13.259 1.00 0.00 O ATOM 421 CB LYS A 27 29.455 24.563 14.089 1.00 0.00 C ATOM 422 CG LYS A 27 29.042 23.431 15.029 1.00 0.00 C ATOM 423 CD LYS A 27 29.700 22.081 14.717 1.00 0.00 C ATOM 424 CE LYS A 27 29.085 20.957 15.549 1.00 0.00 C ATOM 425 NZ LYS A 27 30.076 19.872 15.690 1.00 0.00 N ATOM 0 H LYS A 27 27.063 25.110 13.732 1.00 0.00 H new ATOM 0 HA LYS A 27 29.047 26.410 15.173 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.254 24.214 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.536 24.665 14.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.289 23.715 16.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.959 23.314 14.984 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.586 21.855 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.770 22.141 14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.792 21.331 16.530 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.181 20.583 15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.668 19.100 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.334 19.513 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.926 20.238 16.166 1.00 0.00 H new ATOM 439 N ALA A 28 28.968 26.718 11.830 1.00 0.00 N ATOM 440 CA ALA A 28 29.470 27.542 10.750 1.00 0.00 C ATOM 441 C ALA A 28 29.001 28.999 10.818 1.00 0.00 C ATOM 442 O ALA A 28 29.715 29.828 10.261 1.00 0.00 O ATOM 443 CB ALA A 28 28.897 26.957 9.465 1.00 0.00 C ATOM 0 H ALA A 28 28.150 26.159 11.587 1.00 0.00 H new ATOM 0 HA ALA A 28 30.559 27.544 10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.244 27.541 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.228 25.924 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.808 26.986 9.506 1.00 0.00 H new ATOM 449 N LYS A 29 27.936 29.335 11.534 1.00 0.00 N ATOM 450 CA LYS A 29 27.740 30.729 11.869 1.00 0.00 C ATOM 451 C LYS A 29 28.685 31.114 13.013 1.00 0.00 C ATOM 452 O LYS A 29 29.222 32.223 12.936 1.00 0.00 O ATOM 453 CB LYS A 29 26.306 30.943 12.333 1.00 0.00 C ATOM 454 CG LYS A 29 25.288 30.972 11.196 1.00 0.00 C ATOM 455 CD LYS A 29 24.115 29.985 11.223 1.00 0.00 C ATOM 456 CE LYS A 29 23.407 30.062 9.875 1.00 0.00 C ATOM 457 NZ LYS A 29 22.099 29.390 9.907 1.00 0.00 N ATOM 0 H LYS A 29 27.225 28.690 11.879 1.00 0.00 H new ATOM 0 HA LYS A 29 27.944 31.342 10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.037 30.148 13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 26.249 31.882 12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.871 31.978 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.831 30.813 10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 29 24.473 28.972 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.426 30.233 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.272 31.107 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.033 29.604 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.604 29.550 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.237 28.369 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.530 29.775 10.688 1.00 0.00 H new ATOM 471 N ILE A 30 28.985 30.262 13.991 1.00 0.00 N ATOM 472 CA ILE A 30 29.882 30.622 15.066 1.00 0.00 C ATOM 473 C ILE A 30 31.305 30.870 14.557 1.00 0.00 C ATOM 474 O ILE A 30 32.091 31.668 15.050 1.00 0.00 O ATOM 475 CB ILE A 30 29.810 29.617 16.213 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.487 29.672 16.982 1.00 0.00 C ATOM 477 CG2 ILE A 30 31.026 29.615 17.148 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.283 30.887 17.887 1.00 0.00 C ATOM 0 H ILE A 30 28.613 29.314 14.053 1.00 0.00 H new ATOM 0 HA ILE A 30 29.548 31.573 15.480 1.00 0.00 H new ATOM 0 HB ILE A 30 29.844 28.650 15.710 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.670 29.641 16.261 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.408 28.773 17.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.882 28.869 17.930 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.923 29.375 16.578 1.00 0.00 H new ATOM 0 HG23 ILE A 30 31.138 30.600 17.602 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.313 30.816 18.378 1.00 0.00 H new ATOM 0 HD12 ILE A 30 29.070 30.916 18.641 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.321 31.797 17.288 1.00 0.00 H new ATOM 490 N GLN A 31 31.758 30.068 13.592 1.00 0.00 N ATOM 491 CA GLN A 31 32.913 30.248 12.733 1.00 0.00 C ATOM 492 C GLN A 31 32.937 31.669 12.177 1.00 0.00 C ATOM 493 O GLN A 31 33.878 32.436 12.407 1.00 0.00 O ATOM 494 CB GLN A 31 33.003 29.132 11.688 1.00 0.00 C ATOM 495 CG GLN A 31 33.999 29.210 10.533 1.00 0.00 C ATOM 496 CD GLN A 31 34.144 27.944 9.700 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.556 26.895 9.960 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.990 27.938 8.686 1.00 0.00 N ATOM 0 H GLN A 31 31.274 29.196 13.378 1.00 0.00 H new ATOM 0 HA GLN A 31 33.831 30.148 13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.211 28.207 12.226 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.012 29.028 11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.699 30.025 9.874 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.977 29.471 10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.497 28.788 8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.137 27.083 8.149 1.00 0.00 H new ATOM 507 N ASP A 32 31.894 31.999 11.425 1.00 0.00 N ATOM 508 CA ASP A 32 31.788 33.283 10.759 1.00 0.00 C ATOM 509 C ASP A 32 31.638 34.502 11.669 1.00 0.00 C ATOM 510 O ASP A 32 32.416 35.430 11.487 1.00 0.00 O ATOM 511 CB ASP A 32 30.634 33.155 9.764 1.00 0.00 C ATOM 512 CG ASP A 32 30.678 34.148 8.609 1.00 0.00 C ATOM 513 OD1 ASP A 32 31.540 34.123 7.702 1.00 0.00 O ATOM 514 OD2 ASP A 32 29.649 34.852 8.558 1.00 0.00 O ATOM 0 H ASP A 32 31.099 31.381 11.262 1.00 0.00 H new ATOM 0 HA ASP A 32 32.738 33.492 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.634 32.144 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.694 33.283 10.300 1.00 0.00 H new ATOM 519 N LYS A 33 30.906 34.427 12.774 1.00 0.00 N ATOM 520 CA LYS A 33 30.846 35.515 13.722 1.00 0.00 C ATOM 521 C LYS A 33 32.041 35.647 14.672 1.00 0.00 C ATOM 522 O LYS A 33 32.697 36.676 14.615 1.00 0.00 O ATOM 523 CB LYS A 33 29.594 35.353 14.594 1.00 0.00 C ATOM 524 CG LYS A 33 28.284 35.564 13.830 1.00 0.00 C ATOM 525 CD LYS A 33 27.568 36.917 13.775 1.00 0.00 C ATOM 526 CE LYS A 33 26.238 36.925 13.025 1.00 0.00 C ATOM 527 NZ LYS A 33 26.407 37.232 11.600 1.00 0.00 N ATOM 0 H LYS A 33 30.345 33.615 13.030 1.00 0.00 H new ATOM 0 HA LYS A 33 30.840 36.413 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.593 34.355 15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.642 36.063 15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.475 35.271 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.568 34.850 14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.392 37.257 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.234 37.642 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.757 35.952 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.572 37.660 13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.479 37.226 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.842 38.171 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.021 36.516 11.161 1.00 0.00 H new ATOM 541 N GLU A 34 32.302 34.602 15.454 1.00 0.00 N ATOM 542 CA GLU A 34 33.128 34.673 16.652 1.00 0.00 C ATOM 543 C GLU A 34 34.487 34.015 16.429 1.00 0.00 C ATOM 544 O GLU A 34 35.279 34.007 17.360 1.00 0.00 O ATOM 545 CB GLU A 34 32.501 33.857 17.787 1.00 0.00 C ATOM 546 CG GLU A 34 31.228 34.481 18.372 1.00 0.00 C ATOM 547 CD GLU A 34 31.439 35.821 19.061 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.155 35.933 20.073 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.880 36.858 18.635 1.00 0.00 O ATOM 0 H GLU A 34 31.938 33.667 15.268 1.00 0.00 H new ATOM 0 HA GLU A 34 33.218 35.733 16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.267 32.859 17.417 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.235 33.738 18.584 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.501 34.610 17.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.793 33.784 19.088 1.00 0.00 H new ATOM 556 N GLY A 35 34.789 33.462 15.251 1.00 0.00 N ATOM 557 CA GLY A 35 36.079 33.100 14.700 1.00 0.00 C ATOM 558 C GLY A 35 36.677 31.760 15.103 1.00 0.00 C ATOM 559 O GLY A 35 37.883 31.540 15.059 1.00 0.00 O ATOM 0 H GLY A 35 34.043 33.235 14.593 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.994 33.115 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.790 33.879 14.975 1.00 0.00 H new ATOM 563 N ILE A 36 35.842 30.911 15.702 1.00 0.00 N ATOM 564 CA ILE A 36 36.348 29.721 16.373 1.00 0.00 C ATOM 565 C ILE A 36 36.139 28.601 15.351 1.00 0.00 C ATOM 566 O ILE A 36 35.002 28.240 15.070 1.00 0.00 O ATOM 567 CB ILE A 36 35.464 29.334 17.557 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.232 30.576 18.417 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.066 28.277 18.491 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.068 30.587 19.407 1.00 0.00 C ATOM 0 H ILE A 36 34.829 31.024 15.735 1.00 0.00 H new ATOM 0 HA ILE A 36 37.371 29.883 16.713 1.00 0.00 H new ATOM 0 HB ILE A 36 34.557 28.917 17.118 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.146 30.760 18.982 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.098 31.422 17.743 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.367 28.067 19.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.257 27.362 17.930 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.002 28.650 18.907 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.048 31.541 19.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.131 30.450 18.868 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.194 29.778 20.126 1.00 0.00 H new ATOM 582 N PRO A 37 37.128 27.940 14.754 1.00 0.00 N ATOM 583 CA PRO A 37 37.053 26.716 13.970 1.00 0.00 C ATOM 584 C PRO A 37 36.274 25.588 14.658 1.00 0.00 C ATOM 585 O PRO A 37 36.571 25.302 15.821 1.00 0.00 O ATOM 586 CB PRO A 37 38.467 26.304 13.561 1.00 0.00 C ATOM 587 CG PRO A 37 39.313 27.539 13.876 1.00 0.00 C ATOM 588 CD PRO A 37 38.495 28.398 14.846 1.00 0.00 C ATOM 0 HA PRO A 37 36.469 26.920 13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.807 25.433 14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.518 26.044 12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.265 27.252 14.322 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.541 28.094 12.966 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.870 28.295 15.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.568 29.454 14.584 1.00 0.00 H new ATOM 596 N PRO A 38 35.276 25.014 14.007 1.00 0.00 N ATOM 597 CA PRO A 38 34.411 23.969 14.531 1.00 0.00 C ATOM 598 C PRO A 38 35.059 22.851 15.344 1.00 0.00 C ATOM 599 O PRO A 38 34.377 22.381 16.245 1.00 0.00 O ATOM 600 CB PRO A 38 33.702 23.373 13.321 1.00 0.00 C ATOM 601 CG PRO A 38 33.804 24.411 12.205 1.00 0.00 C ATOM 602 CD PRO A 38 34.878 25.389 12.662 1.00 0.00 C ATOM 0 HA PRO A 38 33.759 24.446 15.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.168 22.434 13.022 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.660 23.152 13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.074 23.945 11.258 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.851 24.917 12.051 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.734 25.359 11.988 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.496 26.410 12.647 1.00 0.00 H new ATOM 610 N ASP A 39 36.324 22.493 15.139 1.00 0.00 N ATOM 611 CA ASP A 39 37.093 21.580 15.958 1.00 0.00 C ATOM 612 C ASP A 39 37.433 22.066 17.370 1.00 0.00 C ATOM 613 O ASP A 39 37.571 21.235 18.267 1.00 0.00 O ATOM 614 CB ASP A 39 38.434 21.259 15.303 1.00 0.00 C ATOM 615 CG ASP A 39 39.143 20.084 15.942 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.546 18.984 15.844 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.289 20.208 16.412 1.00 0.00 O ATOM 0 H ASP A 39 36.863 22.856 14.353 1.00 0.00 H new ATOM 0 HA ASP A 39 36.429 20.720 16.043 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.273 21.047 14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.077 22.137 15.358 1.00 0.00 H new ATOM 622 N GLN A 40 37.444 23.370 17.633 1.00 0.00 N ATOM 623 CA GLN A 40 37.796 24.034 18.869 1.00 0.00 C ATOM 624 C GLN A 40 36.604 24.442 19.738 1.00 0.00 C ATOM 625 O GLN A 40 36.858 24.968 20.820 1.00 0.00 O ATOM 626 CB GLN A 40 38.619 25.276 18.540 1.00 0.00 C ATOM 627 CG GLN A 40 39.871 25.041 17.692 1.00 0.00 C ATOM 628 CD GLN A 40 40.710 26.292 17.503 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.406 27.385 17.994 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.782 26.113 16.740 1.00 0.00 N ATOM 0 H GLN A 40 37.181 24.044 16.914 1.00 0.00 H new ATOM 0 HA GLN A 40 38.360 23.308 19.455 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.978 25.986 18.018 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.920 25.747 19.476 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.481 24.270 18.163 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.574 24.660 16.715 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.988 25.190 16.359 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.399 26.899 16.535 1.00 0.00 H new ATOM 639 N GLN A 41 35.403 24.081 19.322 1.00 0.00 N ATOM 640 CA GLN A 41 34.129 24.357 19.976 1.00 0.00 C ATOM 641 C GLN A 41 33.824 23.105 20.801 1.00 0.00 C ATOM 642 O GLN A 41 33.505 22.137 20.129 1.00 0.00 O ATOM 643 CB GLN A 41 32.978 24.557 18.981 1.00 0.00 C ATOM 644 CG GLN A 41 33.227 25.751 18.055 1.00 0.00 C ATOM 645 CD GLN A 41 32.079 26.016 17.086 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.950 25.560 17.240 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.346 26.727 15.991 1.00 0.00 N ATOM 0 H GLN A 41 35.280 23.551 18.459 1.00 0.00 H new ATOM 0 HA GLN A 41 34.208 25.274 20.559 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.853 23.654 18.384 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.047 24.709 19.528 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.395 26.642 18.660 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.140 25.576 17.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.279 27.113 15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.617 26.886 15.295 1.00 0.00 H new ATOM 656 N ARG A 42 33.798 23.084 22.136 1.00 0.00 N ATOM 657 CA ARG A 42 32.978 22.182 22.911 1.00 0.00 C ATOM 658 C ARG A 42 31.642 22.821 23.342 1.00 0.00 C ATOM 659 O ARG A 42 31.590 24.011 23.632 1.00 0.00 O ATOM 660 CB ARG A 42 33.736 21.911 24.216 1.00 0.00 C ATOM 661 CG ARG A 42 35.022 21.140 23.908 1.00 0.00 C ATOM 662 CD ARG A 42 35.665 20.603 25.181 1.00 0.00 C ATOM 663 NE ARG A 42 36.699 19.620 24.862 1.00 0.00 N ATOM 664 CZ ARG A 42 37.153 18.471 25.390 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.780 18.007 26.591 1.00 0.00 N ATOM 666 NH2 ARG A 42 38.119 17.783 24.753 1.00 0.00 N ATOM 0 H ARG A 42 34.362 23.711 22.709 1.00 0.00 H new ATOM 0 HA ARG A 42 32.778 21.300 22.303 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.973 22.851 24.713 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.110 21.338 24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.800 20.313 23.234 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.725 21.793 23.391 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.100 21.425 25.749 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.904 20.146 25.814 1.00 0.00 H new ATOM 0 HE ARG A 42 37.210 19.873 24.016 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.116 18.534 27.158 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.160 17.126 26.938 1.00 0.00 H new ATOM 0 HH21 ARG A 42 38.501 18.135 23.875 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.468 16.910 25.148 1.00 0.00 H new ATOM 680 N LEU A 43 30.550 22.070 23.333 1.00 0.00 N ATOM 681 CA LEU A 43 29.250 22.639 23.066 1.00 0.00 C ATOM 682 C LEU A 43 28.180 21.721 23.655 1.00 0.00 C ATOM 683 O LEU A 43 28.324 20.515 23.465 1.00 0.00 O ATOM 684 CB LEU A 43 29.030 23.116 21.630 1.00 0.00 C ATOM 685 CG LEU A 43 29.625 22.298 20.486 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.026 20.915 20.241 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.414 22.970 19.128 1.00 0.00 C ATOM 0 H LEU A 43 30.545 21.065 23.508 1.00 0.00 H new ATOM 0 HA LEU A 43 29.171 23.596 23.583 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.955 23.182 21.465 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.427 24.128 21.554 1.00 0.00 H new ATOM 0 HG LEU A 43 30.659 22.220 20.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.537 20.441 19.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.148 20.302 21.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.965 21.014 20.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.853 22.353 18.344 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.346 23.087 18.942 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.892 23.950 19.129 1.00 0.00 H new ATOM 699 N ILE A 44 27.452 22.288 24.608 1.00 0.00 N ATOM 700 CA ILE A 44 26.819 21.617 25.738 1.00 0.00 C ATOM 701 C ILE A 44 25.510 22.360 26.004 1.00 0.00 C ATOM 702 O ILE A 44 25.448 23.574 25.812 1.00 0.00 O ATOM 703 CB ILE A 44 27.687 21.678 26.991 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.027 20.971 26.805 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.999 21.203 28.276 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.178 21.965 26.659 1.00 0.00 C ATOM 0 H ILE A 44 27.276 23.293 24.614 1.00 0.00 H new ATOM 0 HA ILE A 44 26.663 20.564 25.502 1.00 0.00 H new ATOM 0 HB ILE A 44 27.870 22.744 27.129 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.216 20.319 27.658 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.982 20.334 25.921 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.694 21.283 29.112 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.124 21.823 28.471 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.689 20.164 28.160 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.114 21.421 26.529 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.003 22.599 25.790 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.240 22.584 27.554 1.00 0.00 H new ATOM 718 N PHE A 45 24.427 21.688 26.405 1.00 0.00 N ATOM 719 CA PHE A 45 23.147 22.195 26.848 1.00 0.00 C ATOM 720 C PHE A 45 22.619 21.583 28.153 1.00 0.00 C ATOM 721 O PHE A 45 22.083 22.333 28.971 1.00 0.00 O ATOM 722 CB PHE A 45 22.037 22.130 25.804 1.00 0.00 C ATOM 723 CG PHE A 45 20.792 22.949 26.080 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.703 24.323 25.846 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.681 22.197 26.467 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.463 24.960 26.004 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.456 22.850 26.645 1.00 0.00 C ATOM 728 CZ PHE A 45 18.341 24.233 26.414 1.00 0.00 C ATOM 0 H PHE A 45 24.438 20.668 26.425 1.00 0.00 H new ATOM 0 HA PHE A 45 23.393 23.240 27.034 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.450 22.451 24.848 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.740 21.088 25.688 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.575 24.886 25.548 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.765 21.132 26.626 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.374 26.018 25.808 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.591 22.287 26.963 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.392 24.730 26.552 1.00 0.00 H new ATOM 738 N ALA A 46 22.811 20.294 28.384 1.00 0.00 N ATOM 739 CA ALA A 46 22.339 19.479 29.492 1.00 0.00 C ATOM 740 C ALA A 46 23.337 18.359 29.821 1.00 0.00 C ATOM 741 O ALA A 46 23.004 17.182 29.747 1.00 0.00 O ATOM 742 CB ALA A 46 20.888 19.022 29.500 1.00 0.00 C ATOM 0 H ALA A 46 23.359 19.734 27.731 1.00 0.00 H new ATOM 0 HA ALA A 46 22.308 20.192 30.316 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.699 18.425 30.392 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.232 19.893 29.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.691 18.420 28.613 1.00 0.00 H new ATOM 748 N GLY A 47 24.593 18.686 30.116 1.00 0.00 N ATOM 749 CA GLY A 47 25.554 17.760 30.680 1.00 0.00 C ATOM 750 C GLY A 47 26.469 16.956 29.744 1.00 0.00 C ATOM 751 O GLY A 47 27.280 16.243 30.334 1.00 0.00 O ATOM 0 H GLY A 47 24.972 19.621 29.964 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.195 18.326 31.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.000 17.045 31.289 1.00 0.00 H new ATOM 755 N LYS A 48 26.337 17.052 28.434 1.00 0.00 N ATOM 756 CA LYS A 48 27.212 16.312 27.539 1.00 0.00 C ATOM 757 C LYS A 48 27.473 17.124 26.272 1.00 0.00 C ATOM 758 O LYS A 48 26.818 18.125 25.995 1.00 0.00 O ATOM 759 CB LYS A 48 26.536 14.964 27.255 1.00 0.00 C ATOM 760 CG LYS A 48 27.417 13.835 26.727 1.00 0.00 C ATOM 761 CD LYS A 48 26.774 12.453 26.850 1.00 0.00 C ATOM 762 CE LYS A 48 27.644 11.223 26.587 1.00 0.00 C ATOM 763 NZ LYS A 48 26.983 9.981 26.999 1.00 0.00 N ATOM 0 H LYS A 48 25.638 17.630 27.967 1.00 0.00 H new ATOM 0 HA LYS A 48 28.189 16.130 27.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.066 14.622 28.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.737 15.133 26.534 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.651 14.026 25.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.362 13.837 27.270 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.368 12.364 27.858 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.930 12.417 26.162 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.884 11.170 25.525 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.588 11.326 27.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.608 9.173 26.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.776 10.019 28.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.095 9.868 26.470 1.00 0.00 H new ATOM 777 N GLN A 49 28.332 16.535 25.444 1.00 0.00 N ATOM 778 CA GLN A 49 28.692 16.988 24.123 1.00 0.00 C ATOM 779 C GLN A 49 27.527 16.667 23.181 1.00 0.00 C ATOM 780 O GLN A 49 26.963 15.579 23.182 1.00 0.00 O ATOM 781 CB GLN A 49 29.909 16.239 23.593 1.00 0.00 C ATOM 782 CG GLN A 49 31.051 17.207 23.284 1.00 0.00 C ATOM 783 CD GLN A 49 30.793 18.252 22.208 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.202 19.399 22.362 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.977 17.875 21.213 1.00 0.00 N ATOM 0 H GLN A 49 28.819 15.677 25.703 1.00 0.00 H new ATOM 0 HA GLN A 49 28.914 18.054 24.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.238 15.504 24.328 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.639 15.689 22.692 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.315 17.726 24.205 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.921 16.622 22.987 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.674 16.904 21.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.660 18.560 20.527 1.00 0.00 H new ATOM 794 N LEU A 50 27.110 17.667 22.413 1.00 0.00 N ATOM 795 CA LEU A 50 25.997 17.619 21.471 1.00 0.00 C ATOM 796 C LEU A 50 26.439 16.890 20.201 1.00 0.00 C ATOM 797 O LEU A 50 27.420 17.287 19.573 1.00 0.00 O ATOM 798 CB LEU A 50 25.505 19.029 21.174 1.00 0.00 C ATOM 799 CG LEU A 50 24.852 19.807 22.320 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.026 21.287 21.945 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.403 19.396 22.554 1.00 0.00 C ATOM 0 H LEU A 50 27.563 18.581 22.431 1.00 0.00 H new ATOM 0 HA LEU A 50 25.163 17.067 21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.352 19.611 20.812 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.787 18.969 20.356 1.00 0.00 H new ATOM 0 HG LEU A 50 25.322 19.595 23.280 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.583 21.913 22.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.088 21.517 21.856 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.531 21.482 20.993 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.988 19.978 23.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.822 19.580 21.650 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.361 18.336 22.802 1.00 0.00 H new ATOM 813 N GLU A 51 25.777 15.796 19.848 1.00 0.00 N ATOM 814 CA GLU A 51 26.100 14.942 18.721 1.00 0.00 C ATOM 815 C GLU A 51 25.862 15.695 17.414 1.00 0.00 C ATOM 816 O GLU A 51 24.815 16.241 17.077 1.00 0.00 O ATOM 817 CB GLU A 51 25.303 13.638 18.799 1.00 0.00 C ATOM 818 CG GLU A 51 25.672 12.513 17.833 1.00 0.00 C ATOM 819 CD GLU A 51 24.804 11.277 18.046 1.00 0.00 C ATOM 820 OE1 GLU A 51 23.624 11.356 18.448 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.227 10.195 17.574 1.00 0.00 O ATOM 0 H GLU A 51 24.962 15.468 20.367 1.00 0.00 H new ATOM 0 HA GLU A 51 27.156 14.672 18.754 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.395 13.251 19.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.251 13.880 18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.560 12.863 16.807 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.721 12.248 17.967 1.00 0.00 H new ATOM 828 N ASP A 52 26.920 15.762 16.605 1.00 0.00 N ATOM 829 CA ASP A 52 27.004 16.434 15.325 1.00 0.00 C ATOM 830 C ASP A 52 25.996 15.838 14.330 1.00 0.00 C ATOM 831 O ASP A 52 26.155 14.673 13.991 1.00 0.00 O ATOM 832 CB ASP A 52 28.405 16.403 14.731 1.00 0.00 C ATOM 833 CG ASP A 52 29.054 15.054 14.451 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.281 14.252 15.381 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.394 14.849 13.262 1.00 0.00 O ATOM 0 H ASP A 52 27.801 15.312 16.853 1.00 0.00 H new ATOM 0 HA ASP A 52 26.757 17.479 15.509 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.378 16.957 13.793 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.062 16.951 15.406 1.00 0.00 H new ATOM 840 N GLY A 53 25.007 16.610 13.877 1.00 0.00 N ATOM 841 CA GLY A 53 24.056 16.167 12.880 1.00 0.00 C ATOM 842 C GLY A 53 22.652 16.093 13.484 1.00 0.00 C ATOM 843 O GLY A 53 21.727 16.295 12.697 1.00 0.00 O ATOM 0 H GLY A 53 24.850 17.565 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.060 16.853 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.348 15.188 12.498 1.00 0.00 H new ATOM 847 N ARG A 54 22.506 15.949 14.801 1.00 0.00 N ATOM 848 CA ARG A 54 21.184 15.871 15.406 1.00 0.00 C ATOM 849 C ARG A 54 20.666 17.308 15.447 1.00 0.00 C ATOM 850 O ARG A 54 21.506 18.204 15.458 1.00 0.00 O ATOM 851 CB ARG A 54 21.340 15.386 16.838 1.00 0.00 C ATOM 852 CG ARG A 54 21.712 13.905 16.981 1.00 0.00 C ATOM 853 CD ARG A 54 20.701 12.863 16.480 1.00 0.00 C ATOM 854 NE ARG A 54 20.868 12.443 15.098 1.00 0.00 N ATOM 855 CZ ARG A 54 21.884 11.629 14.787 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.797 11.101 15.616 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.882 11.269 13.500 1.00 0.00 N ATOM 0 H ARG A 54 23.281 15.885 15.461 1.00 0.00 H new ATOM 0 HA ARG A 54 20.519 15.203 14.858 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.106 15.987 17.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.406 15.564 17.370 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.651 13.743 16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.902 13.707 18.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.766 11.983 17.119 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.697 13.270 16.599 1.00 0.00 H new ATOM 0 HE ARG A 54 20.221 12.763 14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.762 11.310 16.614 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.527 10.490 15.249 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.154 11.614 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.609 10.649 13.143 1.00 0.00 H new ATOM 871 N THR A 55 19.362 17.569 15.344 1.00 0.00 N ATOM 872 CA THR A 55 18.717 18.855 15.527 1.00 0.00 C ATOM 873 C THR A 55 18.556 19.208 17.004 1.00 0.00 C ATOM 874 O THR A 55 18.831 18.421 17.909 1.00 0.00 O ATOM 875 CB THR A 55 17.395 18.913 14.771 1.00 0.00 C ATOM 876 OG1 THR A 55 16.470 17.987 15.282 1.00 0.00 O ATOM 877 CG2 THR A 55 17.533 18.757 13.255 1.00 0.00 C ATOM 0 H THR A 55 18.691 16.835 15.115 1.00 0.00 H new ATOM 0 HA THR A 55 19.369 19.617 15.101 1.00 0.00 H new ATOM 0 HB THR A 55 17.017 19.922 14.936 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.780 17.077 15.093 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.547 18.810 12.793 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.161 19.557 12.863 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.989 17.793 13.028 1.00 0.00 H new ATOM 885 N LEU A 56 18.078 20.417 17.272 1.00 0.00 N ATOM 886 CA LEU A 56 17.600 20.865 18.570 1.00 0.00 C ATOM 887 C LEU A 56 16.293 20.172 18.974 1.00 0.00 C ATOM 888 O LEU A 56 16.012 20.081 20.169 1.00 0.00 O ATOM 889 CB LEU A 56 17.423 22.382 18.601 1.00 0.00 C ATOM 890 CG LEU A 56 18.694 23.191 18.879 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.876 22.993 17.930 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.229 24.651 18.866 1.00 0.00 C ATOM 0 H LEU A 56 18.011 21.142 16.558 1.00 0.00 H new ATOM 0 HA LEU A 56 18.363 20.587 19.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.013 22.702 17.643 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.683 22.628 19.363 1.00 0.00 H new ATOM 0 HG LEU A 56 19.114 22.847 19.824 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.705 23.626 18.245 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.188 21.949 17.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.578 23.263 16.917 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.079 25.305 19.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.801 24.888 17.892 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.475 24.800 19.639 1.00 0.00 H new ATOM 904 N SER A 57 15.456 19.670 18.070 1.00 0.00 N ATOM 905 CA SER A 57 14.274 18.862 18.298 1.00 0.00 C ATOM 906 C SER A 57 14.590 17.480 18.880 1.00 0.00 C ATOM 907 O SER A 57 13.886 17.011 19.773 1.00 0.00 O ATOM 908 CB SER A 57 13.452 18.772 17.016 1.00 0.00 C ATOM 909 OG SER A 57 12.100 18.456 17.229 1.00 0.00 O ATOM 0 H SER A 57 15.606 19.836 17.075 1.00 0.00 H new ATOM 0 HA SER A 57 13.677 19.361 19.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.514 19.724 16.488 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.893 18.017 16.365 1.00 0.00 H new ATOM 0 HG SER A 57 11.634 18.416 16.368 1.00 0.00 H new ATOM 915 N ASP A 58 15.716 16.887 18.507 1.00 0.00 N ATOM 916 CA ASP A 58 16.131 15.551 18.880 1.00 0.00 C ATOM 917 C ASP A 58 16.630 15.547 20.330 1.00 0.00 C ATOM 918 O ASP A 58 16.284 14.580 20.995 1.00 0.00 O ATOM 919 CB ASP A 58 17.354 15.153 18.049 1.00 0.00 C ATOM 920 CG ASP A 58 17.030 14.874 16.584 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.150 14.040 16.260 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.558 15.610 15.735 1.00 0.00 O ATOM 0 H ASP A 58 16.396 17.353 17.906 1.00 0.00 H new ATOM 0 HA ASP A 58 15.283 14.882 18.733 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.095 15.950 18.103 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.808 14.265 18.488 1.00 0.00 H new ATOM 927 N TYR A 59 17.269 16.646 20.726 1.00 0.00 N ATOM 928 CA TYR A 59 17.896 16.900 22.004 1.00 0.00 C ATOM 929 C TYR A 59 17.007 17.678 22.975 1.00 0.00 C ATOM 930 O TYR A 59 17.324 17.977 24.130 1.00 0.00 O ATOM 931 CB TYR A 59 19.161 17.714 21.707 1.00 0.00 C ATOM 932 CG TYR A 59 20.390 16.833 21.568 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.779 16.042 22.652 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.274 16.900 20.495 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.904 15.210 22.671 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.418 16.100 20.363 1.00 0.00 C ATOM 937 CZ TYR A 59 22.664 15.310 21.494 1.00 0.00 C ATOM 938 OH TYR A 59 23.798 14.544 21.477 1.00 0.00 O ATOM 0 H TYR A 59 17.365 17.446 20.100 1.00 0.00 H new ATOM 0 HA TYR A 59 18.105 15.948 22.492 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.018 18.283 20.788 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.322 18.436 22.507 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.166 16.075 23.541 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.065 17.615 19.713 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.159 14.564 23.498 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.044 16.093 19.483 1.00 0.00 H new ATOM 0 HH TYR A 59 23.591 13.661 21.106 1.00 0.00 H new ATOM 948 N ASN A 60 15.790 17.967 22.521 1.00 0.00 N ATOM 949 CA ASN A 60 14.718 18.611 23.257 1.00 0.00 C ATOM 950 C ASN A 60 15.147 20.003 23.714 1.00 0.00 C ATOM 951 O ASN A 60 15.047 20.330 24.888 1.00 0.00 O ATOM 952 CB ASN A 60 14.227 17.727 24.401 1.00 0.00 C ATOM 953 CG ASN A 60 12.812 18.078 24.834 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.847 17.562 24.277 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.636 18.794 25.942 1.00 0.00 N ATOM 0 H ASN A 60 15.514 17.740 21.566 1.00 0.00 H new ATOM 0 HA ASN A 60 13.863 18.747 22.594 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.261 16.683 24.091 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.901 17.829 25.252 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.700 18.914 26.328 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.437 19.223 26.405 1.00 0.00 H new ATOM 962 N ILE A 61 15.869 20.783 22.909 1.00 0.00 N ATOM 963 CA ILE A 61 16.379 22.104 23.199 1.00 0.00 C ATOM 964 C ILE A 61 15.245 23.003 22.702 1.00 0.00 C ATOM 965 O ILE A 61 14.515 22.706 21.755 1.00 0.00 O ATOM 966 CB ILE A 61 17.693 22.408 22.484 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.775 21.514 23.078 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.059 23.897 22.533 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.036 21.328 22.233 1.00 0.00 C ATOM 0 H ILE A 61 16.126 20.476 21.971 1.00 0.00 H new ATOM 0 HA ILE A 61 16.626 22.239 24.252 1.00 0.00 H new ATOM 0 HB ILE A 61 17.588 22.187 21.422 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.067 21.926 24.044 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.342 20.532 23.268 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.002 24.057 22.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.274 24.481 22.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.162 24.212 23.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.732 20.674 22.758 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.770 20.881 21.275 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.506 22.297 22.063 1.00 0.00 H new ATOM 981 N GLN A 62 14.968 24.016 23.516 1.00 0.00 N ATOM 982 CA GLN A 62 13.786 24.858 23.393 1.00 0.00 C ATOM 983 C GLN A 62 14.249 26.276 23.708 1.00 0.00 C ATOM 984 O GLN A 62 15.323 26.508 24.267 1.00 0.00 O ATOM 985 CB GLN A 62 12.779 24.291 24.392 1.00 0.00 C ATOM 986 CG GLN A 62 12.040 23.044 23.903 1.00 0.00 C ATOM 987 CD GLN A 62 11.108 22.370 24.893 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.565 21.286 24.710 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.913 23.038 26.029 1.00 0.00 N ATOM 0 H GLN A 62 15.572 24.279 24.295 1.00 0.00 H new ATOM 0 HA GLN A 62 13.312 24.878 22.411 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.300 24.050 25.318 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.047 25.063 24.630 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.460 23.317 23.021 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.782 22.313 23.583 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.368 23.939 26.175 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.309 22.648 26.753 1.00 0.00 H new ATOM 998 N LYS A 63 13.343 27.197 23.441 1.00 0.00 N ATOM 999 CA LYS A 63 13.531 28.639 23.515 1.00 0.00 C ATOM 1000 C LYS A 63 13.954 29.305 24.824 1.00 0.00 C ATOM 1001 O LYS A 63 13.405 29.153 25.912 1.00 0.00 O ATOM 1002 CB LYS A 63 12.374 29.440 22.921 1.00 0.00 C ATOM 1003 CG LYS A 63 11.066 29.488 23.708 1.00 0.00 C ATOM 1004 CD LYS A 63 10.182 30.597 23.153 1.00 0.00 C ATOM 1005 CE LYS A 63 8.872 30.804 23.925 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.000 31.823 24.977 1.00 0.00 N ATOM 0 H LYS A 63 12.398 26.947 23.149 1.00 0.00 H new ATOM 0 HA LYS A 63 14.430 28.683 22.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.716 30.465 22.775 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.157 29.033 21.933 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.552 28.529 23.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.270 29.665 24.764 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.744 31.531 23.157 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.946 30.372 22.113 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.086 31.099 23.230 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.563 29.859 24.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.091 31.928 25.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.731 31.531 25.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.269 32.732 24.549 1.00 0.00 H new ATOM 1020 N GLU A 64 14.865 30.260 24.671 1.00 0.00 N ATOM 1021 CA GLU A 64 15.201 31.337 25.574 1.00 0.00 C ATOM 1022 C GLU A 64 16.020 30.769 26.733 1.00 0.00 C ATOM 1023 O GLU A 64 15.956 31.389 27.799 1.00 0.00 O ATOM 1024 CB GLU A 64 14.019 32.241 25.942 1.00 0.00 C ATOM 1025 CG GLU A 64 14.386 33.728 26.001 1.00 0.00 C ATOM 1026 CD GLU A 64 13.117 34.537 26.188 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.460 34.166 27.187 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.749 35.544 25.536 1.00 0.00 O ATOM 0 H GLU A 64 15.438 30.296 23.828 1.00 0.00 H new ATOM 0 HA GLU A 64 15.840 32.057 25.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.222 32.100 25.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.623 31.933 26.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.077 33.914 26.823 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.893 34.028 25.084 1.00 0.00 H new ATOM 1035 N SER A 65 16.674 29.628 26.593 1.00 0.00 N ATOM 1036 CA SER A 65 17.572 29.036 27.569 1.00 0.00 C ATOM 1037 C SER A 65 19.016 29.345 27.174 1.00 0.00 C ATOM 1038 O SER A 65 19.377 29.712 26.057 1.00 0.00 O ATOM 1039 CB SER A 65 17.562 27.528 27.317 1.00 0.00 C ATOM 1040 OG SER A 65 16.380 26.903 27.753 1.00 0.00 O ATOM 0 H SER A 65 16.588 29.060 25.750 1.00 0.00 H new ATOM 0 HA SER A 65 17.282 29.378 28.563 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.691 27.343 26.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.414 27.075 27.825 1.00 0.00 H new ATOM 0 HG SER A 65 16.577 25.980 28.018 1.00 0.00 H new ATOM 1046 N THR A 66 19.958 29.287 28.114 1.00 0.00 N ATOM 1047 CA THR A 66 21.393 29.170 27.903 1.00 0.00 C ATOM 1048 C THR A 66 21.755 27.868 27.194 1.00 0.00 C ATOM 1049 O THR A 66 21.366 26.807 27.673 1.00 0.00 O ATOM 1050 CB THR A 66 22.008 29.219 29.304 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.730 30.436 29.955 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.540 29.201 29.283 1.00 0.00 C ATOM 0 H THR A 66 19.720 29.323 29.105 1.00 0.00 H new ATOM 0 HA THR A 66 21.767 29.968 27.261 1.00 0.00 H new ATOM 0 HB THR A 66 21.582 28.347 29.800 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.137 30.430 30.847 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.918 29.238 30.305 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.887 28.287 28.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.906 30.065 28.729 1.00 0.00 H new ATOM 1060 N LEU A 67 22.564 27.930 26.140 1.00 0.00 N ATOM 1061 CA LEU A 67 23.369 26.858 25.575 1.00 0.00 C ATOM 1062 C LEU A 67 24.781 27.421 25.784 1.00 0.00 C ATOM 1063 O LEU A 67 25.013 28.630 25.761 1.00 0.00 O ATOM 1064 CB LEU A 67 23.005 26.615 24.117 1.00 0.00 C ATOM 1065 CG LEU A 67 23.269 25.183 23.660 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.191 24.683 22.692 1.00 0.00 C ATOM 1067 CD2 LEU A 67 24.674 24.969 23.099 1.00 0.00 C ATOM 0 H LEU A 67 22.681 28.800 25.621 1.00 0.00 H new ATOM 0 HA LEU A 67 23.236 25.875 26.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 21.950 26.848 23.969 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.574 27.300 23.489 1.00 0.00 H new ATOM 0 HG LEU A 67 23.213 24.574 24.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.418 23.660 22.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.219 24.710 23.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.169 25.323 21.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.790 23.929 22.795 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.824 25.618 22.237 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.412 25.207 23.865 1.00 0.00 H new ATOM 1079 N HIS A 68 25.732 26.549 26.101 1.00 0.00 N ATOM 1080 CA HIS A 68 27.076 26.831 26.543 1.00 0.00 C ATOM 1081 C HIS A 68 28.115 26.479 25.475 1.00 0.00 C ATOM 1082 O HIS A 68 27.967 25.460 24.799 1.00 0.00 O ATOM 1083 CB HIS A 68 27.169 25.959 27.795 1.00 0.00 C ATOM 1084 CG HIS A 68 28.405 26.082 28.639 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.591 27.143 29.527 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.420 25.186 28.876 1.00 0.00 C ATOM 1087 CE1 HIS A 68 29.794 26.959 30.062 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.362 25.801 29.678 1.00 0.00 N ATOM 0 H HIS A 68 25.559 25.545 26.048 1.00 0.00 H new ATOM 0 HA HIS A 68 27.279 27.884 26.738 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.308 26.184 28.425 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.075 24.918 27.487 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.472 24.175 28.500 1.00 0.00 H new ATOM 0 HE1 HIS A 68 30.265 27.663 30.732 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.288 25.453 29.926 1.00 0.00 H new ATOM 1096 N LEU A 69 29.182 27.261 25.338 1.00 0.00 N ATOM 1097 CA LEU A 69 30.272 27.176 24.380 1.00 0.00 C ATOM 1098 C LEU A 69 31.580 27.218 25.178 1.00 0.00 C ATOM 1099 O LEU A 69 31.802 28.169 25.940 1.00 0.00 O ATOM 1100 CB LEU A 69 30.058 28.272 23.335 1.00 0.00 C ATOM 1101 CG LEU A 69 31.180 28.406 22.303 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.630 27.110 21.615 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.919 29.432 21.195 1.00 0.00 C ATOM 0 H LEU A 69 29.315 28.054 25.965 1.00 0.00 H new ATOM 0 HA LEU A 69 30.314 26.250 23.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.123 28.076 22.810 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.941 29.226 23.849 1.00 0.00 H new ATOM 0 HG LEU A 69 31.982 28.751 22.956 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.428 27.332 20.907 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.995 26.408 22.365 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.787 26.668 21.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.769 29.455 20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.020 29.153 20.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.782 30.419 21.638 1.00 0.00 H new ATOM 1115 N VAL A 70 32.443 26.245 24.899 1.00 0.00 N ATOM 1116 CA VAL A 70 33.736 26.048 25.514 1.00 0.00 C ATOM 1117 C VAL A 70 34.772 26.074 24.391 1.00 0.00 C ATOM 1118 O VAL A 70 34.462 25.466 23.368 1.00 0.00 O ATOM 1119 CB VAL A 70 33.730 24.894 26.518 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.089 24.259 26.822 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.027 25.193 27.848 1.00 0.00 C ATOM 0 H VAL A 70 32.239 25.536 24.195 1.00 0.00 H new ATOM 0 HA VAL A 70 34.031 26.852 26.188 1.00 0.00 H new ATOM 0 HB VAL A 70 33.140 24.166 25.961 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.961 23.454 27.545 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.516 23.857 25.903 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.759 25.013 27.234 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.076 24.314 28.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.521 26.031 28.340 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.984 25.446 27.659 1.00 0.00 H new ATOM 1131 N LEU A 71 35.908 26.756 24.551 1.00 0.00 N ATOM 1132 CA LEU A 71 36.937 27.060 23.575 1.00 0.00 C ATOM 1133 C LEU A 71 38.258 26.331 23.774 1.00 0.00 C ATOM 1134 O LEU A 71 38.891 26.498 24.820 1.00 0.00 O ATOM 1135 CB LEU A 71 37.256 28.555 23.650 1.00 0.00 C ATOM 1136 CG LEU A 71 38.215 29.147 22.619 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.494 30.104 21.667 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.312 29.835 23.440 1.00 0.00 C ATOM 0 H LEU A 71 36.147 27.145 25.463 1.00 0.00 H new ATOM 0 HA LEU A 71 36.525 26.737 22.619 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.314 29.099 23.578 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.666 28.757 24.639 1.00 0.00 H new ATOM 0 HG LEU A 71 38.641 28.385 21.966 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.207 30.506 20.947 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.707 29.566 21.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.054 30.922 22.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 40.041 30.286 22.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.867 30.610 24.065 1.00 0.00 H new ATOM 0 HD23 LEU A 71 39.808 29.099 24.073 1.00 0.00 H new