USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 62 GLN : amide:sc= -0.685 K(o=-0.69,f=-2.9!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0207) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.845 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.15 X(o=2,f=2.2) USER MOD Set 3.1: A 7 THR OG1 : rot -68:sc= 1.32 USER MOD Set 3.2: A 9 THR OG1 : rot 17:sc= 0.224 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -145:sc= 0.309 (180deg=0.0433) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.31 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.953) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.996! K(o=-1!,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 0.338 X(o=0.34,f=-0.022) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.93 USER MOD Single : A 60 ASN : amide:sc=-0.00366 X(o=-0.0037,f=-0.17) USER MOD Single : A 65 SER OG : rot 92:sc= 0.633 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.308 31.256 16.217 1.00 0.00 N ATOM 2 CA MET A 1 14.298 31.506 17.666 1.00 0.00 C ATOM 3 C MET A 1 15.689 31.844 18.217 1.00 0.00 C ATOM 4 O MET A 1 16.625 31.254 17.683 1.00 0.00 O ATOM 5 CB MET A 1 13.765 30.281 18.398 1.00 0.00 C ATOM 6 CG MET A 1 14.667 29.044 18.496 1.00 0.00 C ATOM 7 SD MET A 1 14.074 27.546 19.315 1.00 0.00 S ATOM 8 CE MET A 1 15.533 26.502 19.120 1.00 0.00 C ATOM 0 H1 MET A 1 13.388 30.870 15.925 1.00 0.00 H new ATOM 0 H2 MET A 1 14.485 32.148 15.712 1.00 0.00 H new ATOM 0 H3 MET A 1 15.058 30.573 15.988 1.00 0.00 H new ATOM 0 HA MET A 1 13.653 32.369 17.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.507 30.586 19.412 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.838 29.979 17.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.946 28.767 17.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.581 29.350 19.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.346 25.528 19.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.750 26.375 18.059 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.385 26.972 19.611 1.00 0.00 H new ATOM 20 N GLN A 2 15.851 32.725 19.206 1.00 0.00 N ATOM 21 CA GLN A 2 17.058 33.135 19.882 1.00 0.00 C ATOM 22 C GLN A 2 17.529 31.998 20.789 1.00 0.00 C ATOM 23 O GLN A 2 16.686 31.303 21.344 1.00 0.00 O ATOM 24 CB GLN A 2 16.760 34.337 20.781 1.00 0.00 C ATOM 25 CG GLN A 2 16.701 35.630 19.971 1.00 0.00 C ATOM 26 CD GLN A 2 16.632 36.958 20.719 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.018 38.024 20.237 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.443 36.900 22.029 1.00 0.00 N ATOM 0 H GLN A 2 15.042 33.216 19.586 1.00 0.00 H new ATOM 0 HA GLN A 2 17.813 33.388 19.138 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.812 34.183 21.296 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.529 34.420 21.549 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.580 35.658 19.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.830 35.572 19.318 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.124 36.033 22.460 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.617 37.723 22.606 1.00 0.00 H new ATOM 37 N ILE A 3 18.836 31.910 21.060 1.00 0.00 N ATOM 38 CA ILE A 3 19.460 31.204 22.149 1.00 0.00 C ATOM 39 C ILE A 3 20.657 32.101 22.485 1.00 0.00 C ATOM 40 O ILE A 3 21.055 32.971 21.715 1.00 0.00 O ATOM 41 CB ILE A 3 19.884 29.778 21.760 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.968 29.643 20.693 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.716 28.834 21.492 1.00 0.00 C ATOM 44 CD1 ILE A 3 22.275 28.940 21.050 1.00 0.00 C ATOM 0 H ILE A 3 19.526 32.372 20.468 1.00 0.00 H new ATOM 0 HA ILE A 3 18.792 31.045 22.996 1.00 0.00 H new ATOM 0 HB ILE A 3 20.374 29.453 22.678 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.531 29.115 19.845 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.218 30.647 20.349 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.098 27.849 21.224 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.101 28.753 22.388 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.113 29.225 20.672 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.933 28.931 20.181 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.762 29.471 21.868 1.00 0.00 H new ATOM 0 HD13 ILE A 3 22.065 27.915 21.357 1.00 0.00 H new ATOM 56 N PHE A 4 21.167 31.946 23.711 1.00 0.00 N ATOM 57 CA PHE A 4 22.210 32.757 24.293 1.00 0.00 C ATOM 58 C PHE A 4 23.412 31.862 24.625 1.00 0.00 C ATOM 59 O PHE A 4 23.282 30.886 25.359 1.00 0.00 O ATOM 60 CB PHE A 4 21.704 33.616 25.456 1.00 0.00 C ATOM 61 CG PHE A 4 20.355 34.284 25.336 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.196 35.580 24.822 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.284 33.697 26.006 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.930 36.140 24.609 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.038 34.315 25.857 1.00 0.00 C ATOM 66 CZ PHE A 4 17.801 35.508 25.157 1.00 0.00 C ATOM 0 H PHE A 4 20.841 31.215 24.343 1.00 0.00 H new ATOM 0 HA PHE A 4 22.551 33.496 23.568 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.682 32.987 26.346 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.444 34.396 25.636 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.074 36.162 24.584 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.409 32.810 26.610 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.823 37.046 24.031 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.188 33.834 26.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.808 35.917 25.046 1.00 0.00 H new ATOM 76 N VAL A 5 24.564 32.118 23.999 1.00 0.00 N ATOM 77 CA VAL A 5 25.834 31.463 24.216 1.00 0.00 C ATOM 78 C VAL A 5 26.507 32.516 25.087 1.00 0.00 C ATOM 79 O VAL A 5 26.707 33.631 24.618 1.00 0.00 O ATOM 80 CB VAL A 5 26.528 31.079 22.905 1.00 0.00 C ATOM 81 CG1 VAL A 5 28.011 30.717 22.993 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.740 30.006 22.165 1.00 0.00 C ATOM 0 H VAL A 5 24.626 32.839 23.280 1.00 0.00 H new ATOM 0 HA VAL A 5 25.816 30.483 24.692 1.00 0.00 H new ATOM 0 HB VAL A 5 26.529 32.006 22.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.384 30.465 22.000 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.570 31.566 23.386 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.138 29.861 23.656 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.254 29.751 21.238 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.659 29.117 22.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.742 30.380 21.936 1.00 0.00 H new ATOM 92 N LYS A 6 26.825 32.128 26.322 1.00 0.00 N ATOM 93 CA LYS A 6 27.312 33.029 27.343 1.00 0.00 C ATOM 94 C LYS A 6 28.794 32.749 27.612 1.00 0.00 C ATOM 95 O LYS A 6 29.216 31.597 27.704 1.00 0.00 O ATOM 96 CB LYS A 6 26.547 32.683 28.608 1.00 0.00 C ATOM 97 CG LYS A 6 27.003 33.413 29.872 1.00 0.00 C ATOM 98 CD LYS A 6 26.058 34.564 30.247 1.00 0.00 C ATOM 99 CE LYS A 6 26.279 35.308 31.566 1.00 0.00 C ATOM 100 NZ LYS A 6 25.521 36.564 31.650 1.00 0.00 N ATOM 0 H LYS A 6 26.747 31.161 26.637 1.00 0.00 H new ATOM 0 HA LYS A 6 27.185 34.068 27.039 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.491 32.900 28.445 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.629 31.610 28.779 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.058 32.705 30.699 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.009 33.805 29.721 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.101 35.299 29.444 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.044 34.165 30.260 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.992 34.661 32.395 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.341 35.523 31.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.076 37.270 32.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.327 36.917 30.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.622 36.395 32.145 1.00 0.00 H new ATOM 114 N THR A 7 29.628 33.778 27.740 1.00 0.00 N ATOM 115 CA THR A 7 31.038 33.550 27.932 1.00 0.00 C ATOM 116 C THR A 7 31.307 33.329 29.418 1.00 0.00 C ATOM 117 O THR A 7 30.427 33.561 30.238 1.00 0.00 O ATOM 118 CB THR A 7 31.830 34.798 27.516 1.00 0.00 C ATOM 119 OG1 THR A 7 31.503 35.970 28.226 1.00 0.00 O ATOM 120 CG2 THR A 7 31.699 35.136 26.034 1.00 0.00 C ATOM 0 H THR A 7 29.348 34.759 27.714 1.00 0.00 H new ATOM 0 HA THR A 7 31.337 32.687 27.337 1.00 0.00 H new ATOM 0 HB THR A 7 32.851 34.503 27.757 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.593 36.250 27.993 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.284 36.028 25.811 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.067 34.302 25.437 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.652 35.320 25.794 1.00 0.00 H new ATOM 128 N LEU A 8 32.552 32.987 29.744 1.00 0.00 N ATOM 129 CA LEU A 8 32.958 32.753 31.115 1.00 0.00 C ATOM 130 C LEU A 8 33.473 34.079 31.662 1.00 0.00 C ATOM 131 O LEU A 8 33.876 34.082 32.832 1.00 0.00 O ATOM 132 CB LEU A 8 34.094 31.736 31.243 1.00 0.00 C ATOM 133 CG LEU A 8 33.566 30.332 30.930 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.658 29.334 30.550 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.672 29.781 32.033 1.00 0.00 C ATOM 0 H LEU A 8 33.301 32.866 29.062 1.00 0.00 H new ATOM 0 HA LEU A 8 32.098 32.359 31.656 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.903 31.992 30.559 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.508 31.763 32.251 1.00 0.00 H new ATOM 0 HG LEU A 8 32.948 30.461 30.041 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.208 28.363 30.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.182 29.688 29.662 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.365 29.237 31.374 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.327 28.784 31.758 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.235 29.726 32.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.813 30.438 32.167 1.00 0.00 H new ATOM 147 N THR A 9 33.456 35.152 30.866 1.00 0.00 N ATOM 148 CA THR A 9 33.796 36.503 31.245 1.00 0.00 C ATOM 149 C THR A 9 32.539 37.366 31.332 1.00 0.00 C ATOM 150 O THR A 9 32.683 38.549 31.656 1.00 0.00 O ATOM 151 CB THR A 9 34.798 36.959 30.177 1.00 0.00 C ATOM 152 OG1 THR A 9 34.278 36.791 28.875 1.00 0.00 O ATOM 153 CG2 THR A 9 36.081 36.139 30.207 1.00 0.00 C ATOM 0 H THR A 9 33.187 35.084 29.884 1.00 0.00 H new ATOM 0 HA THR A 9 34.242 36.584 32.236 1.00 0.00 H new ATOM 0 HB THR A 9 34.995 38.007 30.403 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.306 36.672 28.924 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.760 36.498 29.434 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.556 36.242 31.183 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.847 35.090 30.026 1.00 0.00 H new ATOM 161 N GLY A 10 31.353 36.836 31.091 1.00 0.00 N ATOM 162 CA GLY A 10 30.107 37.351 31.627 1.00 0.00 C ATOM 163 C GLY A 10 29.185 37.878 30.524 1.00 0.00 C ATOM 164 O GLY A 10 27.990 37.869 30.798 1.00 0.00 O ATOM 0 H GLY A 10 31.227 36.013 30.501 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.597 36.563 32.181 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.320 38.152 32.335 1.00 0.00 H new ATOM 168 N LYS A 11 29.805 38.315 29.432 1.00 0.00 N ATOM 169 CA LYS A 11 29.205 38.847 28.229 1.00 0.00 C ATOM 170 C LYS A 11 28.343 37.754 27.577 1.00 0.00 C ATOM 171 O LYS A 11 28.792 36.622 27.654 1.00 0.00 O ATOM 172 CB LYS A 11 30.322 39.329 27.305 1.00 0.00 C ATOM 173 CG LYS A 11 30.958 40.550 27.960 1.00 0.00 C ATOM 174 CD LYS A 11 32.446 40.787 27.677 1.00 0.00 C ATOM 175 CE LYS A 11 32.967 42.118 28.245 1.00 0.00 C ATOM 176 NZ LYS A 11 34.301 42.502 27.774 1.00 0.00 N ATOM 0 H LYS A 11 30.823 38.302 29.368 1.00 0.00 H new ATOM 0 HA LYS A 11 28.555 39.694 28.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.063 38.544 27.156 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.925 39.583 26.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.406 41.434 27.640 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.826 40.465 29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.025 39.967 28.102 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.611 40.770 26.600 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.263 42.909 27.986 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.985 42.051 29.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.574 43.408 28.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.988 41.770 28.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.289 42.601 26.739 1.00 0.00 H new ATOM 190 N THR A 12 27.216 38.146 26.978 1.00 0.00 N ATOM 191 CA THR A 12 26.248 37.155 26.557 1.00 0.00 C ATOM 192 C THR A 12 26.174 37.339 25.039 1.00 0.00 C ATOM 193 O THR A 12 25.841 38.422 24.568 1.00 0.00 O ATOM 194 CB THR A 12 24.914 37.406 27.256 1.00 0.00 C ATOM 195 OG1 THR A 12 25.109 37.330 28.653 1.00 0.00 O ATOM 196 CG2 THR A 12 23.838 36.406 26.845 1.00 0.00 C ATOM 0 H THR A 12 26.964 39.115 26.782 1.00 0.00 H new ATOM 0 HA THR A 12 26.516 36.130 26.814 1.00 0.00 H new ATOM 0 HB THR A 12 24.567 38.396 26.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.258 37.492 29.111 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.911 36.632 27.372 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.670 36.474 25.770 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.163 35.397 27.098 1.00 0.00 H new ATOM 204 N ILE A 13 26.430 36.304 24.250 1.00 0.00 N ATOM 205 CA ILE A 13 26.270 36.366 22.809 1.00 0.00 C ATOM 206 C ILE A 13 24.873 35.842 22.456 1.00 0.00 C ATOM 207 O ILE A 13 24.467 34.869 23.084 1.00 0.00 O ATOM 208 CB ILE A 13 27.216 35.513 21.968 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.581 35.638 22.642 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.247 35.980 20.514 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.688 34.888 21.891 1.00 0.00 C ATOM 0 H ILE A 13 26.754 35.400 24.594 1.00 0.00 H new ATOM 0 HA ILE A 13 26.471 37.411 22.574 1.00 0.00 H new ATOM 0 HB ILE A 13 26.893 34.473 21.924 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.849 36.692 22.716 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.515 35.254 23.660 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.931 35.351 19.944 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.247 35.908 20.087 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.586 37.015 20.471 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.634 35.014 22.417 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.439 33.828 21.840 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.779 35.289 20.881 1.00 0.00 H new ATOM 223 N THR A 14 24.155 36.544 21.582 1.00 0.00 N ATOM 224 CA THR A 14 22.844 36.200 21.087 1.00 0.00 C ATOM 225 C THR A 14 22.933 35.629 19.672 1.00 0.00 C ATOM 226 O THR A 14 23.282 36.439 18.823 1.00 0.00 O ATOM 227 CB THR A 14 21.873 37.378 21.192 1.00 0.00 C ATOM 228 OG1 THR A 14 21.870 37.824 22.536 1.00 0.00 O ATOM 229 CG2 THR A 14 20.447 36.968 20.809 1.00 0.00 C ATOM 0 H THR A 14 24.502 37.417 21.184 1.00 0.00 H new ATOM 0 HA THR A 14 22.433 35.415 21.723 1.00 0.00 H new ATOM 0 HB THR A 14 22.197 38.162 20.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.255 38.581 22.628 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.785 37.830 20.895 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.437 36.604 19.782 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.104 36.178 21.477 1.00 0.00 H new ATOM 237 N LEU A 15 22.676 34.331 19.491 1.00 0.00 N ATOM 238 CA LEU A 15 22.477 33.746 18.182 1.00 0.00 C ATOM 239 C LEU A 15 21.000 33.402 17.992 1.00 0.00 C ATOM 240 O LEU A 15 20.209 33.410 18.926 1.00 0.00 O ATOM 241 CB LEU A 15 23.432 32.557 18.126 1.00 0.00 C ATOM 242 CG LEU A 15 24.940 32.728 18.287 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.576 33.817 17.416 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.315 32.794 19.766 1.00 0.00 C ATOM 0 H LEU A 15 22.602 33.662 20.257 1.00 0.00 H new ATOM 0 HA LEU A 15 22.704 34.416 17.352 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.110 31.857 18.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 23.271 32.068 17.165 1.00 0.00 H new ATOM 0 HG LEU A 15 25.399 31.829 17.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.648 33.856 17.607 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.403 33.589 16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.130 34.782 17.656 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.394 32.916 19.863 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.811 33.641 20.232 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.008 31.872 20.261 1.00 0.00 H new ATOM 256 N GLU A 16 20.545 33.233 16.754 1.00 0.00 N ATOM 257 CA GLU A 16 19.205 32.945 16.293 1.00 0.00 C ATOM 258 C GLU A 16 19.206 31.734 15.366 1.00 0.00 C ATOM 259 O GLU A 16 19.718 31.772 14.243 1.00 0.00 O ATOM 260 CB GLU A 16 18.353 34.148 15.880 1.00 0.00 C ATOM 261 CG GLU A 16 18.972 35.517 15.610 1.00 0.00 C ATOM 262 CD GLU A 16 19.444 35.790 14.197 1.00 0.00 C ATOM 263 OE1 GLU A 16 18.600 36.046 13.310 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.653 35.591 13.941 1.00 0.00 O ATOM 0 H GLU A 16 21.187 33.304 15.965 1.00 0.00 H new ATOM 0 HA GLU A 16 18.625 32.647 17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.818 33.860 14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.606 34.288 16.661 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.239 36.279 15.876 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.821 35.644 16.282 1.00 0.00 H new ATOM 271 N VAL A 17 18.558 30.620 15.716 1.00 0.00 N ATOM 272 CA VAL A 17 18.615 29.321 15.087 1.00 0.00 C ATOM 273 C VAL A 17 17.166 28.857 14.885 1.00 0.00 C ATOM 274 O VAL A 17 16.259 29.462 15.465 1.00 0.00 O ATOM 275 CB VAL A 17 19.394 28.330 15.960 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.844 28.803 16.142 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.821 28.147 17.371 1.00 0.00 C ATOM 0 H VAL A 17 17.928 30.616 16.518 1.00 0.00 H new ATOM 0 HA VAL A 17 19.136 29.375 14.131 1.00 0.00 H new ATOM 0 HB VAL A 17 19.323 27.382 15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.384 28.089 16.764 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.328 28.875 15.168 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.850 29.781 16.623 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.431 27.430 17.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.826 29.104 17.893 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.798 27.776 17.303 1.00 0.00 H new ATOM 287 N GLU A 18 16.851 27.878 14.042 1.00 0.00 N ATOM 288 CA GLU A 18 15.579 27.201 14.053 1.00 0.00 C ATOM 289 C GLU A 18 15.799 25.861 14.743 1.00 0.00 C ATOM 290 O GLU A 18 16.894 25.292 14.780 1.00 0.00 O ATOM 291 CB GLU A 18 15.192 27.024 12.585 1.00 0.00 C ATOM 292 CG GLU A 18 14.622 28.212 11.809 1.00 0.00 C ATOM 293 CD GLU A 18 13.241 28.725 12.197 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.647 28.267 13.193 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.901 29.672 11.463 1.00 0.00 O ATOM 0 H GLU A 18 17.490 27.535 13.324 1.00 0.00 H new ATOM 0 HA GLU A 18 14.789 27.738 14.579 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.079 26.681 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.459 26.219 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.324 29.040 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.592 27.938 10.754 1.00 0.00 H new ATOM 302 N PRO A 19 14.765 25.270 15.340 1.00 0.00 N ATOM 303 CA PRO A 19 14.812 23.963 15.953 1.00 0.00 C ATOM 304 C PRO A 19 15.024 22.786 14.996 1.00 0.00 C ATOM 305 O PRO A 19 15.664 21.814 15.402 1.00 0.00 O ATOM 306 CB PRO A 19 13.574 23.905 16.853 1.00 0.00 C ATOM 307 CG PRO A 19 12.571 24.842 16.182 1.00 0.00 C ATOM 308 CD PRO A 19 13.416 25.799 15.345 1.00 0.00 C ATOM 0 HA PRO A 19 15.717 23.836 16.548 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.183 22.890 16.925 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.805 24.231 17.867 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.870 24.287 15.558 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.981 25.382 16.922 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.026 25.873 14.330 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.396 26.803 15.768 1.00 0.00 H new ATOM 316 N SER A 20 14.565 22.928 13.759 1.00 0.00 N ATOM 317 CA SER A 20 15.070 22.078 12.698 1.00 0.00 C ATOM 318 C SER A 20 16.554 22.189 12.356 1.00 0.00 C ATOM 319 O SER A 20 16.912 21.529 11.384 1.00 0.00 O ATOM 320 CB SER A 20 14.059 22.365 11.584 1.00 0.00 C ATOM 321 OG SER A 20 13.775 23.691 11.208 1.00 0.00 O ATOM 0 H SER A 20 13.860 23.608 13.473 1.00 0.00 H new ATOM 0 HA SER A 20 15.115 21.024 12.972 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.405 21.844 10.692 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.116 21.904 11.877 1.00 0.00 H new ATOM 0 HG SER A 20 13.113 23.691 10.485 1.00 0.00 H new ATOM 327 N ASP A 21 17.380 23.046 12.946 1.00 0.00 N ATOM 328 CA ASP A 21 18.777 23.301 12.644 1.00 0.00 C ATOM 329 C ASP A 21 19.601 22.077 13.073 1.00 0.00 C ATOM 330 O ASP A 21 19.439 21.580 14.185 1.00 0.00 O ATOM 331 CB ASP A 21 19.469 24.534 13.208 1.00 0.00 C ATOM 332 CG ASP A 21 19.132 25.799 12.425 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.550 25.832 11.320 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.366 26.909 12.953 1.00 0.00 O ATOM 0 H ASP A 21 17.056 23.631 13.717 1.00 0.00 H new ATOM 0 HA ASP A 21 18.741 23.503 11.574 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.177 24.666 14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.548 24.379 13.196 1.00 0.00 H new ATOM 339 N THR A 22 20.551 21.606 12.273 1.00 0.00 N ATOM 340 CA THR A 22 21.552 20.599 12.578 1.00 0.00 C ATOM 341 C THR A 22 22.670 21.238 13.414 1.00 0.00 C ATOM 342 O THR A 22 22.750 22.453 13.552 1.00 0.00 O ATOM 343 CB THR A 22 22.059 19.891 11.320 1.00 0.00 C ATOM 344 OG1 THR A 22 22.810 20.727 10.488 1.00 0.00 O ATOM 345 CG2 THR A 22 20.932 19.271 10.491 1.00 0.00 C ATOM 0 H THR A 22 20.646 21.949 11.317 1.00 0.00 H new ATOM 0 HA THR A 22 21.099 19.807 13.175 1.00 0.00 H new ATOM 0 HB THR A 22 22.702 19.097 11.701 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.109 20.224 9.702 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.353 18.783 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.399 18.536 11.094 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.240 20.052 10.176 1.00 0.00 H new ATOM 353 N ILE A 23 23.545 20.375 13.915 1.00 0.00 N ATOM 354 CA ILE A 23 24.644 20.782 14.764 1.00 0.00 C ATOM 355 C ILE A 23 25.625 21.479 13.818 1.00 0.00 C ATOM 356 O ILE A 23 26.059 22.564 14.202 1.00 0.00 O ATOM 357 CB ILE A 23 25.225 19.647 15.601 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.221 19.367 16.715 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.606 19.838 16.226 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.370 18.025 17.442 1.00 0.00 C ATOM 0 H ILE A 23 23.507 19.371 13.740 1.00 0.00 H new ATOM 0 HA ILE A 23 24.329 21.466 15.552 1.00 0.00 H new ATOM 0 HB ILE A 23 25.386 18.830 14.897 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.297 20.166 17.453 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.218 19.418 16.292 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.877 18.945 16.789 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.341 20.009 15.439 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.586 20.697 16.897 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.602 17.940 18.211 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.259 17.210 16.727 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.355 17.970 17.906 1.00 0.00 H new ATOM 372 N GLU A 24 25.974 20.966 12.636 1.00 0.00 N ATOM 373 CA GLU A 24 26.590 21.727 11.575 1.00 0.00 C ATOM 374 C GLU A 24 26.020 23.130 11.335 1.00 0.00 C ATOM 375 O GLU A 24 26.795 24.077 11.188 1.00 0.00 O ATOM 376 CB GLU A 24 26.380 20.906 10.301 1.00 0.00 C ATOM 377 CG GLU A 24 26.999 21.396 8.983 1.00 0.00 C ATOM 378 CD GLU A 24 26.825 20.438 7.811 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.471 19.283 8.138 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.040 20.854 6.650 1.00 0.00 O ATOM 0 H GLU A 24 25.828 19.986 12.396 1.00 0.00 H new ATOM 0 HA GLU A 24 27.630 21.892 11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.763 19.903 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.305 20.813 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.553 22.356 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.064 21.571 9.139 1.00 0.00 H new ATOM 387 N ASN A 25 24.701 23.230 11.337 1.00 0.00 N ATOM 388 CA ASN A 25 24.008 24.483 11.137 1.00 0.00 C ATOM 389 C ASN A 25 24.330 25.441 12.278 1.00 0.00 C ATOM 390 O ASN A 25 24.698 26.573 11.985 1.00 0.00 O ATOM 391 CB ASN A 25 22.525 24.304 10.799 1.00 0.00 C ATOM 392 CG ASN A 25 22.183 24.006 9.352 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.258 24.968 8.588 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.943 22.750 8.990 1.00 0.00 N ATOM 0 H ASN A 25 24.079 22.434 11.479 1.00 0.00 H new ATOM 0 HA ASN A 25 24.384 24.964 10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.132 23.495 11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 21.998 25.212 11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.803 22.521 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.899 22.015 9.696 1.00 0.00 H new ATOM 401 N VAL A 26 24.346 24.982 13.526 1.00 0.00 N ATOM 402 CA VAL A 26 24.643 25.932 14.580 1.00 0.00 C ATOM 403 C VAL A 26 26.122 26.268 14.782 1.00 0.00 C ATOM 404 O VAL A 26 26.542 27.416 14.876 1.00 0.00 O ATOM 405 CB VAL A 26 24.059 25.458 15.915 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.231 26.505 17.023 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.541 25.364 15.811 1.00 0.00 C ATOM 0 H VAL A 26 24.169 24.021 13.817 1.00 0.00 H new ATOM 0 HA VAL A 26 24.172 26.854 14.238 1.00 0.00 H new ATOM 0 HB VAL A 26 24.566 24.519 16.134 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.803 26.126 17.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.292 26.709 17.170 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.721 27.425 16.737 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.131 25.027 16.763 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.132 26.344 15.567 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.273 24.654 15.029 1.00 0.00 H new ATOM 417 N LYS A 27 26.919 25.266 14.414 1.00 0.00 N ATOM 418 CA LYS A 27 28.346 25.406 14.254 1.00 0.00 C ATOM 419 C LYS A 27 28.767 26.275 13.071 1.00 0.00 C ATOM 420 O LYS A 27 29.834 26.868 13.225 1.00 0.00 O ATOM 421 CB LYS A 27 28.966 24.035 13.983 1.00 0.00 C ATOM 422 CG LYS A 27 29.193 23.125 15.183 1.00 0.00 C ATOM 423 CD LYS A 27 29.790 21.790 14.724 1.00 0.00 C ATOM 424 CE LYS A 27 30.282 20.877 15.854 1.00 0.00 C ATOM 425 NZ LYS A 27 30.946 19.636 15.425 1.00 0.00 N ATOM 0 H LYS A 27 26.576 24.325 14.218 1.00 0.00 H new ATOM 0 HA LYS A 27 28.685 25.873 15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.325 23.508 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.926 24.190 13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.864 23.607 15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.250 22.952 15.702 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.039 21.253 14.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.624 21.994 14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.975 21.442 16.478 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.430 20.614 16.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.486 19.239 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.230 18.949 15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.592 19.843 14.637 1.00 0.00 H new ATOM 439 N ALA A 28 28.146 26.382 11.895 1.00 0.00 N ATOM 440 CA ALA A 28 28.428 27.363 10.865 1.00 0.00 C ATOM 441 C ALA A 28 27.828 28.750 11.109 1.00 0.00 C ATOM 442 O ALA A 28 28.480 29.738 10.773 1.00 0.00 O ATOM 443 CB ALA A 28 27.996 26.845 9.488 1.00 0.00 C ATOM 0 H ALA A 28 27.393 25.748 11.629 1.00 0.00 H new ATOM 0 HA ALA A 28 29.509 27.498 10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.217 27.597 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.538 25.928 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.925 26.641 9.495 1.00 0.00 H new ATOM 449 N LYS A 29 26.732 28.786 11.870 1.00 0.00 N ATOM 450 CA LYS A 29 26.122 30.009 12.340 1.00 0.00 C ATOM 451 C LYS A 29 27.001 30.645 13.415 1.00 0.00 C ATOM 452 O LYS A 29 27.275 31.841 13.367 1.00 0.00 O ATOM 453 CB LYS A 29 24.716 29.744 12.885 1.00 0.00 C ATOM 454 CG LYS A 29 23.713 29.622 11.732 1.00 0.00 C ATOM 455 CD LYS A 29 22.288 29.574 12.268 1.00 0.00 C ATOM 456 CE LYS A 29 21.357 29.275 11.103 1.00 0.00 C ATOM 457 NZ LYS A 29 19.957 29.229 11.562 1.00 0.00 N ATOM 0 H LYS A 29 26.243 27.945 12.177 1.00 0.00 H new ATOM 0 HA LYS A 29 26.031 30.698 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.714 28.828 13.476 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.418 30.554 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.825 30.468 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 23.921 28.721 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.196 28.806 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.024 30.524 12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.469 30.039 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.628 28.323 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.322 29.211 10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.807 28.373 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.753 30.070 12.138 1.00 0.00 H new ATOM 471 N ILE A 30 27.629 29.925 14.342 1.00 0.00 N ATOM 472 CA ILE A 30 28.578 30.437 15.302 1.00 0.00 C ATOM 473 C ILE A 30 29.940 30.786 14.695 1.00 0.00 C ATOM 474 O ILE A 30 30.499 31.819 15.054 1.00 0.00 O ATOM 475 CB ILE A 30 28.695 29.541 16.531 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.535 29.544 17.525 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.030 29.683 17.270 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.287 28.325 18.415 1.00 0.00 C ATOM 0 H ILE A 30 27.476 28.921 14.441 1.00 0.00 H new ATOM 0 HA ILE A 30 28.167 31.388 15.642 1.00 0.00 H new ATOM 0 HB ILE A 30 28.644 28.559 16.060 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.674 30.402 18.182 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.622 29.722 16.957 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.041 29.016 18.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.847 29.421 16.598 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.152 30.713 17.606 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.423 28.510 19.053 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.096 27.452 17.791 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.164 28.143 19.036 1.00 0.00 H new ATOM 490 N GLN A 31 30.460 30.017 13.736 1.00 0.00 N ATOM 491 CA GLN A 31 31.694 30.378 13.084 1.00 0.00 C ATOM 492 C GLN A 31 31.622 31.754 12.402 1.00 0.00 C ATOM 493 O GLN A 31 32.478 32.606 12.610 1.00 0.00 O ATOM 494 CB GLN A 31 31.982 29.181 12.172 1.00 0.00 C ATOM 495 CG GLN A 31 33.053 29.253 11.087 1.00 0.00 C ATOM 496 CD GLN A 31 32.506 29.572 9.706 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.243 29.977 8.811 1.00 0.00 O ATOM 498 NE2 GLN A 31 31.216 29.775 9.446 1.00 0.00 N ATOM 0 H GLN A 31 30.040 29.149 13.404 1.00 0.00 H new ATOM 0 HA GLN A 31 32.528 30.537 13.768 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.240 28.343 12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.045 28.925 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.785 30.012 11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.581 28.300 11.047 1.00 0.00 H new ATOM 0 HE21 GLN A 31 30.508 29.480 10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 31 30.936 30.226 8.575 1.00 0.00 H new ATOM 507 N ASP A 32 30.556 32.058 11.664 1.00 0.00 N ATOM 508 CA ASP A 32 30.300 33.285 10.939 1.00 0.00 C ATOM 509 C ASP A 32 30.341 34.501 11.864 1.00 0.00 C ATOM 510 O ASP A 32 30.723 35.567 11.402 1.00 0.00 O ATOM 511 CB ASP A 32 28.960 33.206 10.208 1.00 0.00 C ATOM 512 CG ASP A 32 28.800 34.332 9.189 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.464 34.253 8.139 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.051 35.288 9.455 1.00 0.00 O ATOM 0 H ASP A 32 29.791 31.393 11.554 1.00 0.00 H new ATOM 0 HA ASP A 32 31.092 33.407 10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.879 32.244 9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.148 33.254 10.933 1.00 0.00 H new ATOM 519 N LYS A 33 29.867 34.293 13.091 1.00 0.00 N ATOM 520 CA LYS A 33 29.735 35.275 14.151 1.00 0.00 C ATOM 521 C LYS A 33 30.945 35.515 15.057 1.00 0.00 C ATOM 522 O LYS A 33 31.160 36.665 15.426 1.00 0.00 O ATOM 523 CB LYS A 33 28.488 34.902 14.955 1.00 0.00 C ATOM 524 CG LYS A 33 27.219 35.077 14.119 1.00 0.00 C ATOM 525 CD LYS A 33 26.424 36.360 14.285 1.00 0.00 C ATOM 526 CE LYS A 33 25.267 36.519 13.298 1.00 0.00 C ATOM 527 NZ LYS A 33 24.302 37.607 13.559 1.00 0.00 N ATOM 0 H LYS A 33 29.545 33.371 13.384 1.00 0.00 H new ATOM 0 HA LYS A 33 29.651 36.244 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.565 33.868 15.292 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.428 35.525 15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.497 34.991 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.555 34.242 14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.028 36.399 15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.099 37.208 14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.689 36.673 12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.716 35.579 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.570 37.607 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.857 37.461 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.799 38.521 13.553 1.00 0.00 H new ATOM 541 N GLU A 34 31.679 34.466 15.422 1.00 0.00 N ATOM 542 CA GLU A 34 32.754 34.468 16.389 1.00 0.00 C ATOM 543 C GLU A 34 34.069 34.013 15.763 1.00 0.00 C ATOM 544 O GLU A 34 35.107 34.428 16.283 1.00 0.00 O ATOM 545 CB GLU A 34 32.317 33.628 17.599 1.00 0.00 C ATOM 546 CG GLU A 34 33.215 33.729 18.834 1.00 0.00 C ATOM 547 CD GLU A 34 33.147 35.039 19.613 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.396 35.978 19.287 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.817 34.971 20.674 1.00 0.00 O ATOM 0 H GLU A 34 31.523 33.541 15.022 1.00 0.00 H new ATOM 0 HA GLU A 34 32.953 35.481 16.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.307 33.927 17.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.266 32.583 17.294 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.958 32.914 19.511 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.247 33.570 18.521 1.00 0.00 H new ATOM 556 N GLY A 35 34.060 33.224 14.691 1.00 0.00 N ATOM 557 CA GLY A 35 35.291 32.751 14.089 1.00 0.00 C ATOM 558 C GLY A 35 35.764 31.362 14.524 1.00 0.00 C ATOM 559 O GLY A 35 36.640 30.872 13.812 1.00 0.00 O ATOM 0 H GLY A 35 33.211 32.902 14.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.164 32.746 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.080 33.468 14.314 1.00 0.00 H new ATOM 563 N ILE A 36 35.263 30.685 15.554 1.00 0.00 N ATOM 564 CA ILE A 36 35.597 29.354 16.022 1.00 0.00 C ATOM 565 C ILE A 36 35.264 28.206 15.057 1.00 0.00 C ATOM 566 O ILE A 36 34.094 28.069 14.708 1.00 0.00 O ATOM 567 CB ILE A 36 34.979 29.009 17.377 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.377 30.080 18.396 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.539 27.726 17.999 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.387 30.068 19.567 1.00 0.00 C ATOM 0 H ILE A 36 34.539 31.104 16.138 1.00 0.00 H new ATOM 0 HA ILE A 36 36.682 29.424 16.104 1.00 0.00 H new ATOM 0 HB ILE A 36 33.910 28.918 17.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.388 29.893 18.759 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.384 31.062 17.923 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.054 27.545 18.958 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.349 26.885 17.332 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.613 27.834 18.150 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.671 30.831 20.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.383 30.276 19.197 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.402 29.089 20.046 1.00 0.00 H new ATOM 582 N PRO A 37 36.163 27.377 14.532 1.00 0.00 N ATOM 583 CA PRO A 37 35.762 26.415 13.530 1.00 0.00 C ATOM 584 C PRO A 37 35.006 25.163 13.994 1.00 0.00 C ATOM 585 O PRO A 37 35.246 24.723 15.113 1.00 0.00 O ATOM 586 CB PRO A 37 37.043 26.012 12.804 1.00 0.00 C ATOM 587 CG PRO A 37 38.239 26.446 13.661 1.00 0.00 C ATOM 588 CD PRO A 37 37.606 27.491 14.580 1.00 0.00 C ATOM 0 HA PRO A 37 35.016 26.911 12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.064 24.935 12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.088 26.484 11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.664 25.613 14.221 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.043 26.867 13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.957 27.350 15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.911 28.491 14.273 1.00 0.00 H new ATOM 596 N PRO A 38 34.002 24.636 13.300 1.00 0.00 N ATOM 597 CA PRO A 38 33.305 23.433 13.693 1.00 0.00 C ATOM 598 C PRO A 38 34.015 22.330 14.473 1.00 0.00 C ATOM 599 O PRO A 38 33.538 21.843 15.493 1.00 0.00 O ATOM 600 CB PRO A 38 32.742 22.922 12.361 1.00 0.00 C ATOM 601 CG PRO A 38 32.472 24.254 11.662 1.00 0.00 C ATOM 602 CD PRO A 38 33.628 25.191 12.008 1.00 0.00 C ATOM 0 HA PRO A 38 32.590 23.708 14.468 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.455 22.302 11.817 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.837 22.328 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.400 24.114 10.583 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.523 24.676 11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.438 25.144 11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.318 26.234 12.073 1.00 0.00 H new ATOM 610 N ASP A 39 35.181 21.851 14.053 1.00 0.00 N ATOM 611 CA ASP A 39 36.077 20.915 14.712 1.00 0.00 C ATOM 612 C ASP A 39 36.464 21.302 16.135 1.00 0.00 C ATOM 613 O ASP A 39 36.659 20.442 16.991 1.00 0.00 O ATOM 614 CB ASP A 39 37.246 20.548 13.801 1.00 0.00 C ATOM 615 CG ASP A 39 38.434 21.493 13.786 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.352 21.247 14.606 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.492 22.420 12.958 1.00 0.00 O ATOM 0 H ASP A 39 35.558 22.140 13.150 1.00 0.00 H new ATOM 0 HA ASP A 39 35.514 19.996 14.875 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.603 19.560 14.091 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.868 20.464 12.782 1.00 0.00 H new ATOM 622 N GLN A 40 36.719 22.592 16.346 1.00 0.00 N ATOM 623 CA GLN A 40 37.210 22.996 17.646 1.00 0.00 C ATOM 624 C GLN A 40 36.105 23.228 18.676 1.00 0.00 C ATOM 625 O GLN A 40 36.370 23.127 19.873 1.00 0.00 O ATOM 626 CB GLN A 40 37.924 24.339 17.507 1.00 0.00 C ATOM 627 CG GLN A 40 38.289 25.132 18.772 1.00 0.00 C ATOM 628 CD GLN A 40 39.117 26.392 18.546 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.145 27.370 19.291 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.805 26.486 17.415 1.00 0.00 N ATOM 0 H GLN A 40 36.599 23.340 15.663 1.00 0.00 H new ATOM 0 HA GLN A 40 37.852 22.184 17.987 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.846 24.164 16.953 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.297 24.981 16.888 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.367 25.412 19.282 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.839 24.474 19.445 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.817 25.705 16.759 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.321 27.339 17.202 1.00 0.00 H new ATOM 639 N GLN A 41 34.900 23.561 18.215 1.00 0.00 N ATOM 640 CA GLN A 41 33.655 23.677 18.955 1.00 0.00 C ATOM 641 C GLN A 41 33.296 22.295 19.501 1.00 0.00 C ATOM 642 O GLN A 41 33.100 21.387 18.691 1.00 0.00 O ATOM 643 CB GLN A 41 32.624 24.206 17.963 1.00 0.00 C ATOM 644 CG GLN A 41 32.855 25.613 17.402 1.00 0.00 C ATOM 645 CD GLN A 41 31.658 26.213 16.681 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.567 26.399 17.205 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.835 26.627 15.431 1.00 0.00 N ATOM 0 H GLN A 41 34.764 23.774 17.227 1.00 0.00 H new ATOM 0 HA GLN A 41 33.712 24.354 19.807 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.573 23.511 17.125 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.648 24.191 18.449 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.138 26.274 18.221 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.699 25.581 16.713 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.733 26.485 14.969 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.072 27.086 14.933 1.00 0.00 H new ATOM 656 N ARG A 42 33.134 22.042 20.791 1.00 0.00 N ATOM 657 CA ARG A 42 32.237 21.083 21.383 1.00 0.00 C ATOM 658 C ARG A 42 30.995 21.804 21.925 1.00 0.00 C ATOM 659 O ARG A 42 31.189 22.722 22.725 1.00 0.00 O ATOM 660 CB ARG A 42 33.040 20.347 22.458 1.00 0.00 C ATOM 661 CG ARG A 42 34.141 19.432 21.914 1.00 0.00 C ATOM 662 CD ARG A 42 34.731 18.460 22.942 1.00 0.00 C ATOM 663 NE ARG A 42 35.319 17.295 22.283 1.00 0.00 N ATOM 664 CZ ARG A 42 35.883 16.250 22.900 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.984 16.166 24.238 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.170 15.158 22.180 1.00 0.00 N ATOM 0 H ARG A 42 33.671 22.544 21.498 1.00 0.00 H new ATOM 0 HA ARG A 42 31.860 20.354 20.665 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.492 21.083 23.123 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.355 19.751 23.061 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.738 18.857 21.080 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.945 20.051 21.516 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.491 18.969 23.535 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.951 18.137 23.632 1.00 0.00 H new ATOM 0 HE ARG A 42 35.297 17.277 21.263 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.623 16.918 24.825 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.422 15.350 24.666 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.959 15.135 21.182 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.600 14.350 22.629 1.00 0.00 H new ATOM 680 N LEU A 43 29.817 21.291 21.604 1.00 0.00 N ATOM 681 CA LEU A 43 28.591 21.706 22.249 1.00 0.00 C ATOM 682 C LEU A 43 28.162 20.599 23.222 1.00 0.00 C ATOM 683 O LEU A 43 28.367 19.411 23.028 1.00 0.00 O ATOM 684 CB LEU A 43 27.530 21.913 21.167 1.00 0.00 C ATOM 685 CG LEU A 43 27.866 22.907 20.056 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.882 22.761 18.907 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.039 24.337 20.573 1.00 0.00 C ATOM 0 H LEU A 43 29.689 20.576 20.888 1.00 0.00 H new ATOM 0 HA LEU A 43 28.725 22.636 22.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.320 20.947 20.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.610 22.242 21.651 1.00 0.00 H new ATOM 0 HG LEU A 43 28.849 22.662 19.654 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.131 23.474 18.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.936 21.748 18.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.872 22.956 19.266 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.276 24.999 19.740 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.114 24.667 21.047 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.850 24.365 21.301 1.00 0.00 H new ATOM 699 N ILE A 44 27.708 21.121 24.363 1.00 0.00 N ATOM 700 CA ILE A 44 27.325 20.420 25.570 1.00 0.00 C ATOM 701 C ILE A 44 25.936 20.912 25.987 1.00 0.00 C ATOM 702 O ILE A 44 25.752 22.133 26.000 1.00 0.00 O ATOM 703 CB ILE A 44 28.357 20.656 26.675 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.800 20.389 26.253 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.085 20.058 28.064 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.814 20.971 27.243 1.00 0.00 C ATOM 0 H ILE A 44 27.593 22.129 24.465 1.00 0.00 H new ATOM 0 HA ILE A 44 27.289 19.346 25.390 1.00 0.00 H new ATOM 0 HB ILE A 44 28.217 21.728 26.816 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.957 19.314 26.165 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.972 20.818 25.266 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.905 20.311 28.736 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.154 20.464 28.459 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.003 18.974 27.984 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.825 20.754 26.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.677 22.050 27.311 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.662 20.523 28.225 1.00 0.00 H new ATOM 718 N PHE A 45 24.960 20.034 26.184 1.00 0.00 N ATOM 719 CA PHE A 45 23.651 20.433 26.659 1.00 0.00 C ATOM 720 C PHE A 45 23.049 19.286 27.478 1.00 0.00 C ATOM 721 O PHE A 45 23.149 18.142 27.048 1.00 0.00 O ATOM 722 CB PHE A 45 22.763 21.141 25.630 1.00 0.00 C ATOM 723 CG PHE A 45 21.582 21.830 26.266 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.416 21.082 26.443 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.618 23.190 26.615 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.242 21.644 26.961 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.531 23.719 27.325 1.00 0.00 C ATOM 728 CZ PHE A 45 19.396 22.918 27.509 1.00 0.00 C ATOM 0 H PHE A 45 25.057 19.032 26.019 1.00 0.00 H new ATOM 0 HA PHE A 45 23.753 21.269 27.351 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.357 21.874 25.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.406 20.414 24.901 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.420 20.037 26.172 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.459 23.811 26.344 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.292 21.131 26.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.568 24.723 27.722 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.591 23.311 28.112 1.00 0.00 H new ATOM 738 N ALA A 46 22.542 19.589 28.665 1.00 0.00 N ATOM 739 CA ALA A 46 21.961 18.622 29.574 1.00 0.00 C ATOM 740 C ALA A 46 22.931 17.547 30.069 1.00 0.00 C ATOM 741 O ALA A 46 22.593 16.385 30.266 1.00 0.00 O ATOM 742 CB ALA A 46 20.671 18.001 29.030 1.00 0.00 C ATOM 0 H ALA A 46 22.525 20.542 29.028 1.00 0.00 H new ATOM 0 HA ALA A 46 21.704 19.211 30.455 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.280 17.284 29.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.933 18.785 28.860 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.881 17.491 28.090 1.00 0.00 H new ATOM 748 N GLY A 47 24.176 17.994 30.231 1.00 0.00 N ATOM 749 CA GLY A 47 25.314 17.159 30.549 1.00 0.00 C ATOM 750 C GLY A 47 26.023 16.402 29.424 1.00 0.00 C ATOM 751 O GLY A 47 27.217 16.162 29.574 1.00 0.00 O ATOM 0 H GLY A 47 24.419 18.980 30.140 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.056 17.789 31.039 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.986 16.423 31.283 1.00 0.00 H new ATOM 755 N LYS A 48 25.284 16.184 28.345 1.00 0.00 N ATOM 756 CA LYS A 48 25.714 15.394 27.207 1.00 0.00 C ATOM 757 C LYS A 48 26.648 16.195 26.290 1.00 0.00 C ATOM 758 O LYS A 48 26.320 17.309 25.900 1.00 0.00 O ATOM 759 CB LYS A 48 24.505 15.060 26.324 1.00 0.00 C ATOM 760 CG LYS A 48 23.575 14.092 27.053 1.00 0.00 C ATOM 761 CD LYS A 48 22.218 14.010 26.359 1.00 0.00 C ATOM 762 CE LYS A 48 21.352 12.864 26.890 1.00 0.00 C ATOM 763 NZ LYS A 48 20.008 12.841 26.299 1.00 0.00 N ATOM 0 H LYS A 48 24.343 16.564 28.237 1.00 0.00 H new ATOM 0 HA LYS A 48 26.209 14.511 27.611 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.966 15.973 26.071 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.841 14.617 25.386 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.030 13.102 27.088 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.441 14.418 28.084 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.688 14.953 26.493 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.370 13.879 25.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.849 11.916 26.686 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.266 12.953 27.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.468 12.045 26.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.519 13.733 26.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.084 12.728 25.268 1.00 0.00 H new ATOM 777 N GLN A 49 27.667 15.472 25.836 1.00 0.00 N ATOM 778 CA GLN A 49 28.457 15.938 24.706 1.00 0.00 C ATOM 779 C GLN A 49 27.709 15.401 23.481 1.00 0.00 C ATOM 780 O GLN A 49 27.385 14.218 23.417 1.00 0.00 O ATOM 781 CB GLN A 49 29.808 15.238 24.705 1.00 0.00 C ATOM 782 CG GLN A 49 30.859 16.018 25.484 1.00 0.00 C ATOM 783 CD GLN A 49 32.341 15.654 25.347 1.00 0.00 C ATOM 784 OE1 GLN A 49 33.265 16.428 25.591 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.600 14.472 24.796 1.00 0.00 N ATOM 0 H GLN A 49 27.960 14.576 26.226 1.00 0.00 H new ATOM 0 HA GLN A 49 28.594 17.019 24.729 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.701 14.243 25.138 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.145 15.103 23.677 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.756 17.067 25.206 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.603 15.941 26.541 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.837 13.826 24.592 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.562 14.211 24.578 1.00 0.00 H new ATOM 794 N LEU A 50 27.329 16.247 22.538 1.00 0.00 N ATOM 795 CA LEU A 50 26.328 16.000 21.521 1.00 0.00 C ATOM 796 C LEU A 50 26.887 15.324 20.272 1.00 0.00 C ATOM 797 O LEU A 50 27.964 15.665 19.803 1.00 0.00 O ATOM 798 CB LEU A 50 25.583 17.298 21.218 1.00 0.00 C ATOM 799 CG LEU A 50 25.035 18.081 22.415 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.369 19.397 21.995 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.036 17.268 23.238 1.00 0.00 C ATOM 0 H LEU A 50 27.737 17.179 22.460 1.00 0.00 H new ATOM 0 HA LEU A 50 25.614 15.276 21.915 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.255 17.953 20.664 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.749 17.063 20.556 1.00 0.00 H new ATOM 0 HG LEU A 50 25.906 18.302 23.032 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.997 19.915 22.879 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.098 20.027 21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.538 19.186 21.322 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.679 17.869 24.074 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.193 16.983 22.609 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.523 16.371 23.619 1.00 0.00 H new ATOM 813 N GLU A 51 26.267 14.308 19.676 1.00 0.00 N ATOM 814 CA GLU A 51 26.726 13.681 18.447 1.00 0.00 C ATOM 815 C GLU A 51 26.284 14.418 17.189 1.00 0.00 C ATOM 816 O GLU A 51 25.102 14.756 17.120 1.00 0.00 O ATOM 817 CB GLU A 51 26.073 12.296 18.466 1.00 0.00 C ATOM 818 CG GLU A 51 27.037 11.214 17.961 1.00 0.00 C ATOM 819 CD GLU A 51 26.421 9.821 17.977 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.565 9.485 17.133 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.733 9.103 18.954 1.00 0.00 O ATOM 0 H GLU A 51 25.413 13.891 20.046 1.00 0.00 H new ATOM 0 HA GLU A 51 27.815 13.670 18.413 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.754 12.056 19.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.177 12.306 17.845 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.349 11.457 16.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.935 11.216 18.579 1.00 0.00 H new ATOM 828 N ASP A 52 27.230 14.588 16.270 1.00 0.00 N ATOM 829 CA ASP A 52 26.987 15.374 15.070 1.00 0.00 C ATOM 830 C ASP A 52 26.035 14.647 14.116 1.00 0.00 C ATOM 831 O ASP A 52 25.917 13.431 14.012 1.00 0.00 O ATOM 832 CB ASP A 52 28.229 15.711 14.256 1.00 0.00 C ATOM 833 CG ASP A 52 29.084 16.715 15.021 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.810 17.930 14.885 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.006 16.280 15.755 1.00 0.00 O ATOM 0 H ASP A 52 28.168 14.193 16.335 1.00 0.00 H new ATOM 0 HA ASP A 52 26.565 16.301 15.459 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.803 14.806 14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.942 16.125 13.289 1.00 0.00 H new ATOM 840 N GLY A 53 25.186 15.490 13.529 1.00 0.00 N ATOM 841 CA GLY A 53 24.237 15.009 12.559 1.00 0.00 C ATOM 842 C GLY A 53 22.780 15.072 13.024 1.00 0.00 C ATOM 843 O GLY A 53 21.857 14.940 12.223 1.00 0.00 O ATOM 0 H GLY A 53 25.145 16.492 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.341 15.593 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.482 13.977 12.307 1.00 0.00 H new ATOM 847 N ARG A 54 22.624 15.231 14.335 1.00 0.00 N ATOM 848 CA ARG A 54 21.369 15.384 15.052 1.00 0.00 C ATOM 849 C ARG A 54 20.913 16.851 15.118 1.00 0.00 C ATOM 850 O ARG A 54 21.780 17.718 15.114 1.00 0.00 O ATOM 851 CB ARG A 54 21.399 14.695 16.422 1.00 0.00 C ATOM 852 CG ARG A 54 21.627 13.191 16.312 1.00 0.00 C ATOM 853 CD ARG A 54 21.962 12.541 17.659 1.00 0.00 C ATOM 854 NE ARG A 54 22.684 11.278 17.548 1.00 0.00 N ATOM 855 CZ ARG A 54 22.453 10.101 18.145 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.331 9.950 18.855 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.304 9.073 18.064 1.00 0.00 N ATOM 0 H ARG A 54 23.427 15.258 14.964 1.00 0.00 H new ATOM 0 HA ARG A 54 20.605 14.863 14.475 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.189 15.136 17.030 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.458 14.880 16.939 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.734 12.722 15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.439 13.002 15.610 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.559 13.238 18.248 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.036 12.371 18.208 1.00 0.00 H new ATOM 0 HE ARG A 54 23.487 11.293 16.920 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.670 10.723 18.934 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.136 9.062 19.318 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.169 9.168 17.532 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.088 8.194 18.535 1.00 0.00 H new ATOM 871 N THR A 55 19.603 17.057 15.078 1.00 0.00 N ATOM 872 CA THR A 55 19.014 18.388 15.152 1.00 0.00 C ATOM 873 C THR A 55 18.821 18.848 16.601 1.00 0.00 C ATOM 874 O THR A 55 18.813 17.988 17.488 1.00 0.00 O ATOM 875 CB THR A 55 17.706 18.391 14.364 1.00 0.00 C ATOM 876 OG1 THR A 55 16.837 17.329 14.678 1.00 0.00 O ATOM 877 CG2 THR A 55 17.893 18.363 12.841 1.00 0.00 C ATOM 0 H THR A 55 18.918 16.306 14.993 1.00 0.00 H new ATOM 0 HA THR A 55 19.697 19.110 14.705 1.00 0.00 H new ATOM 0 HB THR A 55 17.264 19.338 14.674 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.024 17.400 14.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.918 18.367 12.355 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.458 19.241 12.528 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.436 17.461 12.558 1.00 0.00 H new ATOM 885 N LEU A 56 18.735 20.155 16.785 1.00 0.00 N ATOM 886 CA LEU A 56 18.496 20.847 18.045 1.00 0.00 C ATOM 887 C LEU A 56 17.253 20.375 18.801 1.00 0.00 C ATOM 888 O LEU A 56 17.335 20.053 19.988 1.00 0.00 O ATOM 889 CB LEU A 56 18.440 22.365 17.965 1.00 0.00 C ATOM 890 CG LEU A 56 19.595 23.138 17.326 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.291 24.631 17.401 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.960 22.918 17.979 1.00 0.00 C ATOM 0 H LEU A 56 18.837 20.806 16.007 1.00 0.00 H new ATOM 0 HA LEU A 56 19.392 20.567 18.598 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.533 22.628 17.421 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.322 22.740 18.982 1.00 0.00 H new ATOM 0 HG LEU A 56 19.665 22.762 16.305 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.108 25.192 16.948 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.366 24.841 16.865 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.181 24.928 18.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.713 23.508 17.456 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.918 23.227 19.023 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.224 21.862 17.924 1.00 0.00 H new ATOM 904 N SER A 57 16.140 20.406 18.081 1.00 0.00 N ATOM 905 CA SER A 57 14.984 19.695 18.595 1.00 0.00 C ATOM 906 C SER A 57 15.084 18.330 19.282 1.00 0.00 C ATOM 907 O SER A 57 14.269 18.089 20.178 1.00 0.00 O ATOM 908 CB SER A 57 13.886 19.740 17.531 1.00 0.00 C ATOM 909 OG SER A 57 12.622 19.254 17.906 1.00 0.00 O ATOM 0 H SER A 57 16.016 20.887 17.190 1.00 0.00 H new ATOM 0 HA SER A 57 14.766 20.257 19.503 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.770 20.774 17.206 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.227 19.170 16.667 1.00 0.00 H new ATOM 0 HG SER A 57 12.003 19.334 17.150 1.00 0.00 H new ATOM 915 N ASP A 58 15.977 17.427 18.891 1.00 0.00 N ATOM 916 CA ASP A 58 16.247 16.126 19.467 1.00 0.00 C ATOM 917 C ASP A 58 16.927 16.158 20.844 1.00 0.00 C ATOM 918 O ASP A 58 16.547 15.464 21.786 1.00 0.00 O ATOM 919 CB ASP A 58 17.121 15.359 18.476 1.00 0.00 C ATOM 920 CG ASP A 58 16.743 13.888 18.317 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.311 13.276 19.308 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.632 13.459 17.144 1.00 0.00 O ATOM 0 H ASP A 58 16.582 17.609 18.090 1.00 0.00 H new ATOM 0 HA ASP A 58 15.286 15.642 19.641 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.060 15.846 17.503 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.160 15.423 18.800 1.00 0.00 H new ATOM 927 N TYR A 59 17.920 17.046 20.885 1.00 0.00 N ATOM 928 CA TYR A 59 18.792 17.140 22.043 1.00 0.00 C ATOM 929 C TYR A 59 18.220 18.237 22.932 1.00 0.00 C ATOM 930 O TYR A 59 18.824 18.507 23.972 1.00 0.00 O ATOM 931 CB TYR A 59 20.222 17.507 21.674 1.00 0.00 C ATOM 932 CG TYR A 59 21.039 16.296 21.295 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.233 15.211 22.167 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.773 16.359 20.103 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.046 14.150 21.784 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.753 15.403 19.821 1.00 0.00 C ATOM 937 CZ TYR A 59 22.869 14.285 20.658 1.00 0.00 C ATOM 938 OH TYR A 59 24.009 13.537 20.658 1.00 0.00 O ATOM 0 H TYR A 59 18.135 17.702 20.135 1.00 0.00 H new ATOM 0 HA TYR A 59 18.831 16.169 22.537 1.00 0.00 H new ATOM 0 HB2 TYR A 59 20.212 18.212 20.842 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.694 18.014 22.516 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.751 15.201 23.133 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.580 17.153 19.396 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.043 13.230 22.349 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.410 15.524 18.972 1.00 0.00 H new ATOM 0 HH TYR A 59 23.797 12.617 20.395 1.00 0.00 H new ATOM 948 N ASN A 60 17.052 18.792 22.616 1.00 0.00 N ATOM 949 CA ASN A 60 16.100 19.381 23.524 1.00 0.00 C ATOM 950 C ASN A 60 16.394 20.856 23.830 1.00 0.00 C ATOM 951 O ASN A 60 16.160 21.443 24.880 1.00 0.00 O ATOM 952 CB ASN A 60 15.894 18.561 24.800 1.00 0.00 C ATOM 953 CG ASN A 60 14.532 18.796 25.442 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.522 18.547 24.770 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.369 19.193 26.695 1.00 0.00 N ATOM 0 H ASN A 60 16.734 18.840 21.648 1.00 0.00 H new ATOM 0 HA ASN A 60 15.150 19.359 22.990 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.002 17.502 24.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.676 18.811 25.517 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.430 19.286 27.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.182 19.405 27.273 1.00 0.00 H new ATOM 962 N ILE A 61 17.147 21.517 22.952 1.00 0.00 N ATOM 963 CA ILE A 61 17.571 22.893 23.061 1.00 0.00 C ATOM 964 C ILE A 61 16.313 23.662 22.650 1.00 0.00 C ATOM 965 O ILE A 61 16.069 23.793 21.457 1.00 0.00 O ATOM 966 CB ILE A 61 18.878 22.999 22.276 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.996 22.104 22.826 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.312 24.444 22.070 1.00 0.00 C ATOM 969 CD1 ILE A 61 21.161 21.967 21.856 1.00 0.00 C ATOM 0 H ILE A 61 17.492 21.072 22.101 1.00 0.00 H new ATOM 0 HA ILE A 61 17.862 23.320 24.021 1.00 0.00 H new ATOM 0 HB ILE A 61 18.665 22.600 21.284 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.358 22.517 23.768 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.592 21.116 23.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.245 24.467 21.507 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.541 24.980 21.516 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.461 24.921 23.039 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.925 21.324 22.293 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.808 21.528 20.923 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.586 22.951 21.656 1.00 0.00 H new ATOM 981 N GLN A 62 15.537 24.141 23.617 1.00 0.00 N ATOM 982 CA GLN A 62 14.297 24.898 23.546 1.00 0.00 C ATOM 983 C GLN A 62 14.664 26.358 23.316 1.00 0.00 C ATOM 984 O GLN A 62 15.789 26.741 23.610 1.00 0.00 O ATOM 985 CB GLN A 62 13.629 24.750 24.917 1.00 0.00 C ATOM 986 CG GLN A 62 12.354 23.903 24.840 1.00 0.00 C ATOM 987 CD GLN A 62 11.242 24.489 23.983 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.114 25.690 23.795 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.310 23.629 23.557 1.00 0.00 N ATOM 0 H GLN A 62 15.799 23.986 24.591 1.00 0.00 H new ATOM 0 HA GLN A 62 13.636 24.555 22.750 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.329 24.291 25.615 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.387 25.737 25.312 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.613 22.919 24.449 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.973 23.754 25.850 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.427 22.629 23.719 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.483 23.974 23.070 1.00 0.00 H new ATOM 998 N LYS A 63 13.671 27.116 22.856 1.00 0.00 N ATOM 999 CA LYS A 63 13.724 28.542 22.625 1.00 0.00 C ATOM 1000 C LYS A 63 14.294 29.320 23.819 1.00 0.00 C ATOM 1001 O LYS A 63 13.895 29.101 24.959 1.00 0.00 O ATOM 1002 CB LYS A 63 12.386 29.053 22.083 1.00 0.00 C ATOM 1003 CG LYS A 63 11.159 28.967 22.985 1.00 0.00 C ATOM 1004 CD LYS A 63 9.836 29.386 22.326 1.00 0.00 C ATOM 1005 CE LYS A 63 8.649 29.180 23.269 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.317 27.766 23.505 1.00 0.00 N ATOM 0 H LYS A 63 12.760 26.721 22.624 1.00 0.00 H new ATOM 0 HA LYS A 63 14.451 28.739 21.837 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.519 30.098 21.801 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.166 28.502 21.169 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.061 27.942 23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.326 29.595 23.860 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.891 30.434 22.032 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.683 28.807 21.415 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.869 29.656 24.224 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.776 29.684 22.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.445 27.703 24.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.175 27.286 22.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.096 27.308 24.020 1.00 0.00 H new ATOM 1020 N GLU A 64 15.211 30.244 23.548 1.00 0.00 N ATOM 1021 CA GLU A 64 15.767 31.263 24.416 1.00 0.00 C ATOM 1022 C GLU A 64 16.599 30.831 25.622 1.00 0.00 C ATOM 1023 O GLU A 64 16.648 31.441 26.686 1.00 0.00 O ATOM 1024 CB GLU A 64 14.651 32.223 24.824 1.00 0.00 C ATOM 1025 CG GLU A 64 14.361 33.343 23.810 1.00 0.00 C ATOM 1026 CD GLU A 64 13.159 34.233 24.070 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.079 33.707 24.421 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.325 35.461 23.888 1.00 0.00 O ATOM 0 H GLU A 64 15.622 30.298 22.616 1.00 0.00 H new ATOM 0 HA GLU A 64 16.530 31.742 23.803 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.737 31.650 24.982 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.912 32.676 25.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.244 33.980 23.751 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.233 32.884 22.830 1.00 0.00 H new ATOM 1035 N SER A 65 17.107 29.597 25.540 1.00 0.00 N ATOM 1036 CA SER A 65 18.016 29.008 26.499 1.00 0.00 C ATOM 1037 C SER A 65 19.402 29.653 26.593 1.00 0.00 C ATOM 1038 O SER A 65 19.739 30.179 25.534 1.00 0.00 O ATOM 1039 CB SER A 65 18.221 27.527 26.170 1.00 0.00 C ATOM 1040 OG SER A 65 17.041 26.766 26.272 1.00 0.00 O ATOM 0 H SER A 65 16.881 28.966 24.771 1.00 0.00 H new ATOM 0 HA SER A 65 17.532 29.172 27.462 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.616 27.438 25.158 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.972 27.113 26.843 1.00 0.00 H new ATOM 0 HG SER A 65 16.594 26.737 25.400 1.00 0.00 H new ATOM 1046 N THR A 66 20.057 29.632 27.752 1.00 0.00 N ATOM 1047 CA THR A 66 21.439 30.017 27.954 1.00 0.00 C ATOM 1048 C THR A 66 22.303 28.780 28.197 1.00 0.00 C ATOM 1049 O THR A 66 22.041 27.880 29.005 1.00 0.00 O ATOM 1050 CB THR A 66 21.527 30.997 29.129 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.495 31.954 28.982 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.905 31.646 29.200 1.00 0.00 C ATOM 0 H THR A 66 19.608 29.329 28.616 1.00 0.00 H new ATOM 0 HA THR A 66 21.816 30.513 27.059 1.00 0.00 H new ATOM 0 HB THR A 66 21.393 30.468 30.072 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.532 32.591 29.725 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.939 32.336 30.043 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.664 30.875 29.332 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.098 32.191 28.276 1.00 0.00 H new ATOM 1060 N LEU A 67 23.376 28.701 27.422 1.00 0.00 N ATOM 1061 CA LEU A 67 24.276 27.579 27.282 1.00 0.00 C ATOM 1062 C LEU A 67 25.694 28.120 27.079 1.00 0.00 C ATOM 1063 O LEU A 67 25.963 29.325 27.039 1.00 0.00 O ATOM 1064 CB LEU A 67 23.687 26.598 26.273 1.00 0.00 C ATOM 1065 CG LEU A 67 23.146 27.173 24.959 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.053 26.882 23.769 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.789 26.564 24.574 1.00 0.00 C ATOM 0 H LEU A 67 23.656 29.484 26.832 1.00 0.00 H new ATOM 0 HA LEU A 67 24.382 26.958 28.172 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.456 25.865 26.028 1.00 0.00 H new ATOM 0 HB3 LEU A 67 22.877 26.058 26.763 1.00 0.00 H new ATOM 0 HG LEU A 67 23.074 28.243 25.153 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.619 27.313 22.867 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.035 27.321 23.944 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.154 25.804 23.644 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.446 27.002 23.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.895 25.486 24.453 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.061 26.771 25.359 1.00 0.00 H new ATOM 1079 N HIS A 68 26.667 27.224 26.886 1.00 0.00 N ATOM 1080 CA HIS A 68 28.088 27.319 26.623 1.00 0.00 C ATOM 1081 C HIS A 68 28.656 26.534 25.440 1.00 0.00 C ATOM 1082 O HIS A 68 28.001 25.688 24.844 1.00 0.00 O ATOM 1083 CB HIS A 68 28.956 27.517 27.870 1.00 0.00 C ATOM 1084 CG HIS A 68 28.993 26.349 28.825 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.315 25.080 28.351 1.00 0.00 N ATOM 1086 CD2 HIS A 68 28.491 26.243 30.096 1.00 0.00 C ATOM 1087 CE1 HIS A 68 29.055 24.281 29.401 1.00 0.00 C ATOM 1088 NE2 HIS A 68 28.604 24.928 30.488 1.00 0.00 N ATOM 0 H HIS A 68 26.411 26.237 26.920 1.00 0.00 H new ATOM 0 HA HIS A 68 28.182 28.293 26.143 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.975 27.736 27.551 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.595 28.393 28.408 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.079 27.049 30.686 1.00 0.00 H new ATOM 0 HE1 HIS A 68 29.197 23.211 29.373 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.392 24.532 31.404 1.00 0.00 H new ATOM 1096 N LEU A 69 29.892 26.934 25.164 1.00 0.00 N ATOM 1097 CA LEU A 69 30.788 26.358 24.173 1.00 0.00 C ATOM 1098 C LEU A 69 32.240 26.151 24.628 1.00 0.00 C ATOM 1099 O LEU A 69 32.888 27.042 25.161 1.00 0.00 O ATOM 1100 CB LEU A 69 30.834 27.320 22.985 1.00 0.00 C ATOM 1101 CG LEU A 69 31.673 27.093 21.729 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.298 25.829 20.943 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.472 28.300 20.812 1.00 0.00 C ATOM 0 H LEU A 69 30.320 27.717 25.658 1.00 0.00 H new ATOM 0 HA LEU A 69 30.388 25.369 23.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.804 27.433 22.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.145 28.284 23.387 1.00 0.00 H new ATOM 0 HG LEU A 69 32.706 26.965 22.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.940 25.742 20.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.430 24.953 21.578 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.257 25.894 20.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.060 28.168 19.903 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.417 28.388 20.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.796 29.205 21.326 1.00 0.00 H new ATOM 1115 N VAL A 70 32.745 24.930 24.474 1.00 0.00 N ATOM 1116 CA VAL A 70 34.050 24.407 24.806 1.00 0.00 C ATOM 1117 C VAL A 70 34.897 24.387 23.536 1.00 0.00 C ATOM 1118 O VAL A 70 34.692 23.457 22.765 1.00 0.00 O ATOM 1119 CB VAL A 70 33.916 23.064 25.528 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.195 22.246 25.699 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.261 23.360 26.880 1.00 0.00 C ATOM 0 H VAL A 70 32.167 24.198 24.060 1.00 0.00 H new ATOM 0 HA VAL A 70 34.576 25.044 25.517 1.00 0.00 H new ATOM 0 HB VAL A 70 33.313 22.415 24.893 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.966 21.319 26.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.613 22.014 24.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.920 22.820 26.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.142 22.431 27.438 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.891 24.046 27.447 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.283 23.814 26.719 1.00 0.00 H new ATOM 1131 N LEU A 71 35.844 25.299 23.363 1.00 0.00 N ATOM 1132 CA LEU A 71 36.947 25.356 22.427 1.00 0.00 C ATOM 1133 C LEU A 71 37.925 24.212 22.741 1.00 0.00 C ATOM 1134 O LEU A 71 38.947 24.512 23.353 1.00 0.00 O ATOM 1135 CB LEU A 71 37.718 26.677 22.494 1.00 0.00 C ATOM 1136 CG LEU A 71 36.951 27.876 21.935 1.00 0.00 C ATOM 1137 CD1 LEU A 71 35.690 28.380 22.631 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.841 29.099 21.752 1.00 0.00 C ATOM 0 H LEU A 71 35.852 26.126 23.960 1.00 0.00 H new ATOM 0 HA LEU A 71 36.524 25.267 21.426 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.981 26.880 23.532 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.653 26.568 21.944 1.00 0.00 H new ATOM 0 HG LEU A 71 36.608 27.415 21.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.291 29.235 22.086 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.945 27.585 22.655 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.932 28.681 23.650 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.250 29.923 21.353 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.264 29.388 22.714 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.647 28.862 21.058 1.00 0.00 H new