USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.42 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.586 K(o=1,f=-4.5!) USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 1.53 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -167:sc= 0.509 (180deg=-0.24) USER MOD Set 3.2: A 12 THR OG1 : rot -129:sc= 0.609 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.38 (180deg=1.91) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,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 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.46 (180deg=0.766) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 2.14 (180deg=1.67) USER MOD Single : A 31 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.95) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.636 K(o=0.64,f=-0.038) USER MOD Single : A 41 GLN : amide:sc= 0.972 K(o=0.97,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.34 K(o=1.3,f=-7.4!) USER MOD Single : A 55 THR OG1 : rot -78:sc= 0.802 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.608 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 100:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.112 51.992 19.635 1.00 0.00 N ATOM 2 CA MET A 1 33.346 52.317 21.051 1.00 0.00 C ATOM 3 C MET A 1 34.827 52.618 21.287 1.00 0.00 C ATOM 4 O MET A 1 35.679 52.110 20.561 1.00 0.00 O ATOM 5 CB MET A 1 32.829 51.240 22.001 1.00 0.00 C ATOM 6 CG MET A 1 33.565 49.907 21.907 1.00 0.00 C ATOM 7 SD MET A 1 33.034 48.688 23.135 1.00 0.00 S ATOM 8 CE MET A 1 34.170 47.332 22.750 1.00 0.00 C ATOM 0 H1 MET A 1 32.092 52.023 19.436 1.00 0.00 H new ATOM 0 H2 MET A 1 33.603 52.684 19.034 1.00 0.00 H new ATOM 0 H3 MET A 1 33.476 51.039 19.433 1.00 0.00 H new ATOM 0 HA MET A 1 32.768 53.213 21.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.903 51.610 23.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.771 51.072 21.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.418 49.492 20.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.634 50.084 22.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.977 46.494 23.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.020 47.014 21.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.198 47.671 22.880 1.00 0.00 H new ATOM 20 N GLN A 2 35.144 53.395 22.320 1.00 0.00 N ATOM 21 CA GLN A 2 36.496 53.677 22.757 1.00 0.00 C ATOM 22 C GLN A 2 36.990 52.627 23.754 1.00 0.00 C ATOM 23 O GLN A 2 36.232 52.238 24.640 1.00 0.00 O ATOM 24 CB GLN A 2 36.561 55.064 23.389 1.00 0.00 C ATOM 25 CG GLN A 2 36.170 56.203 22.452 1.00 0.00 C ATOM 26 CD GLN A 2 36.345 57.567 23.122 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.402 58.189 23.045 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.344 58.083 23.830 1.00 0.00 N ATOM 0 H GLN A 2 34.437 53.858 22.891 1.00 0.00 H new ATOM 0 HA GLN A 2 37.146 53.645 21.882 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.905 55.084 24.259 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.575 55.238 23.750 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.780 56.159 21.550 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.133 56.080 22.141 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.460 57.580 23.904 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.461 58.982 24.298 1.00 0.00 H new ATOM 37 N ILE A 3 38.266 52.256 23.690 1.00 0.00 N ATOM 38 CA ILE A 3 38.989 51.673 24.802 1.00 0.00 C ATOM 39 C ILE A 3 40.359 52.335 24.970 1.00 0.00 C ATOM 40 O ILE A 3 40.891 52.938 24.041 1.00 0.00 O ATOM 41 CB ILE A 3 39.110 50.153 24.768 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.252 49.572 23.937 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.792 49.444 24.470 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.209 49.847 22.437 1.00 0.00 C ATOM 0 H ILE A 3 38.831 52.356 22.847 1.00 0.00 H new ATOM 0 HA ILE A 3 38.376 51.882 25.679 1.00 0.00 H new ATOM 0 HB ILE A 3 39.391 49.935 25.799 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.192 49.961 24.329 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.268 48.492 24.086 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.953 48.366 24.461 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.061 49.696 25.239 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.419 49.763 23.497 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.071 49.384 21.957 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.293 49.431 22.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.232 50.923 22.264 1.00 0.00 H new ATOM 56 N PHE A 4 40.948 52.179 26.152 1.00 0.00 N ATOM 57 CA PHE A 4 42.282 52.644 26.479 1.00 0.00 C ATOM 58 C PHE A 4 43.288 51.491 26.462 1.00 0.00 C ATOM 59 O PHE A 4 42.940 50.355 26.773 1.00 0.00 O ATOM 60 CB PHE A 4 42.259 53.347 27.833 1.00 0.00 C ATOM 61 CG PHE A 4 41.165 54.376 27.996 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.215 55.574 27.274 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.097 54.134 28.868 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.201 56.528 27.422 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.088 55.093 29.025 1.00 0.00 C ATOM 66 CZ PHE A 4 39.138 56.289 28.301 1.00 0.00 C ATOM 0 H PHE A 4 40.489 51.708 26.932 1.00 0.00 H new ATOM 0 HA PHE A 4 42.605 53.358 25.721 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.150 52.595 28.615 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.222 53.833 27.990 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.038 55.763 26.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.051 53.207 29.420 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.239 57.448 26.858 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.270 54.909 29.706 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.358 57.026 28.420 1.00 0.00 H new ATOM 76 N VAL A 5 44.548 51.786 26.155 1.00 0.00 N ATOM 77 CA VAL A 5 45.650 50.845 26.185 1.00 0.00 C ATOM 78 C VAL A 5 46.842 51.468 26.913 1.00 0.00 C ATOM 79 O VAL A 5 47.283 52.555 26.544 1.00 0.00 O ATOM 80 CB VAL A 5 46.032 50.376 24.784 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.088 49.275 24.848 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.844 49.829 23.997 1.00 0.00 C ATOM 0 H VAL A 5 44.834 52.722 25.869 1.00 0.00 H new ATOM 0 HA VAL A 5 45.331 49.958 26.733 1.00 0.00 H new ATOM 0 HB VAL A 5 46.418 51.260 24.275 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.344 48.957 23.837 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.980 49.655 25.346 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.695 48.426 25.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.177 49.511 23.009 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.417 48.978 24.527 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.088 50.607 23.892 1.00 0.00 H new ATOM 92 N LYS A 6 47.362 50.792 27.933 1.00 0.00 N ATOM 93 CA LYS A 6 48.506 51.204 28.722 1.00 0.00 C ATOM 94 C LYS A 6 49.808 50.515 28.307 1.00 0.00 C ATOM 95 O LYS A 6 49.833 49.312 28.058 1.00 0.00 O ATOM 96 CB LYS A 6 48.222 51.000 30.207 1.00 0.00 C ATOM 97 CG LYS A 6 47.435 52.173 30.787 1.00 0.00 C ATOM 98 CD LYS A 6 47.238 52.014 32.291 1.00 0.00 C ATOM 99 CE LYS A 6 46.664 53.260 32.960 1.00 0.00 C ATOM 100 NZ LYS A 6 47.572 54.411 32.848 1.00 0.00 N ATOM 0 H LYS A 6 46.975 49.900 28.242 1.00 0.00 H new ATOM 0 HA LYS A 6 48.658 52.266 28.529 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.660 50.077 30.349 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.162 50.887 30.747 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.962 53.105 30.583 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.465 52.242 30.296 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.572 51.171 32.476 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.195 51.771 32.752 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.706 53.508 32.504 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.471 53.051 34.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.258 55.165 33.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.537 54.118 33.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.564 54.766 31.870 1.00 0.00 H new ATOM 114 N THR A 7 50.902 51.272 28.275 1.00 0.00 N ATOM 115 CA THR A 7 52.216 50.822 27.863 1.00 0.00 C ATOM 116 C THR A 7 53.114 50.418 29.034 1.00 0.00 C ATOM 117 O THR A 7 52.903 50.855 30.163 1.00 0.00 O ATOM 118 CB THR A 7 52.948 51.881 27.043 1.00 0.00 C ATOM 119 OG1 THR A 7 53.344 52.940 27.885 1.00 0.00 O ATOM 120 CG2 THR A 7 52.123 52.458 25.895 1.00 0.00 C ATOM 0 H THR A 7 50.890 52.255 28.548 1.00 0.00 H new ATOM 0 HA THR A 7 52.026 49.940 27.252 1.00 0.00 H new ATOM 0 HB THR A 7 53.806 51.376 26.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.206 53.294 27.582 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.713 53.203 25.361 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.843 51.658 25.210 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.223 52.926 26.293 1.00 0.00 H new ATOM 128 N LEU A 8 54.197 49.701 28.746 1.00 0.00 N ATOM 129 CA LEU A 8 55.279 49.421 29.670 1.00 0.00 C ATOM 130 C LEU A 8 56.102 50.647 30.071 1.00 0.00 C ATOM 131 O LEU A 8 57.000 50.540 30.903 1.00 0.00 O ATOM 132 CB LEU A 8 56.188 48.352 29.070 1.00 0.00 C ATOM 133 CG LEU A 8 55.534 47.019 28.719 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.548 46.137 27.995 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.041 46.270 29.952 1.00 0.00 C ATOM 0 H LEU A 8 54.345 49.286 27.826 1.00 0.00 H new ATOM 0 HA LEU A 8 54.815 49.069 30.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.641 48.758 28.166 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.998 48.159 29.773 1.00 0.00 H new ATOM 0 HG LEU A 8 54.673 47.238 28.087 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.085 45.183 27.742 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.877 46.634 27.082 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.407 45.963 28.643 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.584 45.329 29.647 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.882 46.067 30.615 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.304 46.878 30.477 1.00 0.00 H new ATOM 147 N THR A 9 55.814 51.815 29.505 1.00 0.00 N ATOM 148 CA THR A 9 56.427 53.098 29.783 1.00 0.00 C ATOM 149 C THR A 9 55.515 54.049 30.560 1.00 0.00 C ATOM 150 O THR A 9 55.887 55.192 30.816 1.00 0.00 O ATOM 151 CB THR A 9 56.924 53.760 28.500 1.00 0.00 C ATOM 152 OG1 THR A 9 55.866 53.943 27.588 1.00 0.00 O ATOM 153 CG2 THR A 9 57.981 52.916 27.794 1.00 0.00 C ATOM 0 H THR A 9 55.092 51.889 28.788 1.00 0.00 H new ATOM 0 HA THR A 9 57.281 52.889 30.428 1.00 0.00 H new ATOM 0 HB THR A 9 57.352 54.716 28.801 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.206 54.370 26.774 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.306 53.425 26.887 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.835 52.774 28.456 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.558 51.946 27.534 1.00 0.00 H new ATOM 161 N GLY A 10 54.331 53.601 30.969 1.00 0.00 N ATOM 162 CA GLY A 10 53.391 54.377 31.751 1.00 0.00 C ATOM 163 C GLY A 10 52.543 55.376 30.963 1.00 0.00 C ATOM 164 O GLY A 10 51.912 56.238 31.572 1.00 0.00 O ATOM 0 H GLY A 10 53.996 52.661 30.756 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.723 53.690 32.270 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.944 54.921 32.516 1.00 0.00 H new ATOM 168 N LYS A 11 52.523 55.280 29.637 1.00 0.00 N ATOM 169 CA LYS A 11 51.660 56.045 28.759 1.00 0.00 C ATOM 170 C LYS A 11 50.300 55.360 28.611 1.00 0.00 C ATOM 171 O LYS A 11 50.223 54.135 28.663 1.00 0.00 O ATOM 172 CB LYS A 11 52.359 56.235 27.416 1.00 0.00 C ATOM 173 CG LYS A 11 51.544 57.061 26.426 1.00 0.00 C ATOM 174 CD LYS A 11 52.303 57.319 25.127 1.00 0.00 C ATOM 175 CE LYS A 11 51.499 58.226 24.198 1.00 0.00 C ATOM 176 NZ LYS A 11 51.565 59.640 24.596 1.00 0.00 N ATOM 0 H LYS A 11 53.134 54.640 29.130 1.00 0.00 H new ATOM 0 HA LYS A 11 51.470 57.029 29.188 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.321 56.721 27.580 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.566 55.258 26.980 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.612 56.542 26.203 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.277 58.013 26.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.265 57.780 25.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.510 56.372 24.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.873 58.121 23.180 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.458 57.902 24.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.004 60.213 23.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.184 59.748 25.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.554 59.960 24.578 1.00 0.00 H new ATOM 190 N THR A 12 49.245 56.131 28.360 1.00 0.00 N ATOM 191 CA THR A 12 47.957 55.635 27.917 1.00 0.00 C ATOM 192 C THR A 12 47.636 56.184 26.526 1.00 0.00 C ATOM 193 O THR A 12 47.863 57.361 26.254 1.00 0.00 O ATOM 194 CB THR A 12 46.850 55.981 28.908 1.00 0.00 C ATOM 195 OG1 THR A 12 47.206 55.551 30.204 1.00 0.00 O ATOM 196 CG2 THR A 12 45.531 55.282 28.591 1.00 0.00 C ATOM 0 H THR A 12 49.269 57.145 28.464 1.00 0.00 H new ATOM 0 HA THR A 12 48.012 54.548 27.863 1.00 0.00 H new ATOM 0 HB THR A 12 46.726 57.062 28.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.474 55.023 30.586 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.782 55.567 29.330 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.192 55.577 27.598 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.676 54.202 28.619 1.00 0.00 H new ATOM 204 N ILE A 13 47.105 55.336 25.649 1.00 0.00 N ATOM 205 CA ILE A 13 46.579 55.685 24.344 1.00 0.00 C ATOM 206 C ILE A 13 45.126 55.227 24.207 1.00 0.00 C ATOM 207 O ILE A 13 44.692 54.342 24.941 1.00 0.00 O ATOM 208 CB ILE A 13 47.467 55.177 23.212 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.545 53.654 23.148 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.851 55.813 23.300 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.350 53.119 21.967 1.00 0.00 C ATOM 0 H ILE A 13 47.029 54.338 25.845 1.00 0.00 H new ATOM 0 HA ILE A 13 46.585 56.772 24.258 1.00 0.00 H new ATOM 0 HB ILE A 13 47.002 55.484 22.275 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.988 53.285 24.073 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.533 53.251 23.096 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.474 55.442 22.487 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.759 56.896 23.222 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.310 55.556 24.255 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.356 52.029 21.995 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.896 53.456 21.035 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.373 53.489 22.027 1.00 0.00 H new ATOM 223 N THR A 14 44.375 55.812 23.278 1.00 0.00 N ATOM 224 CA THR A 14 42.958 55.565 23.094 1.00 0.00 C ATOM 225 C THR A 14 42.671 55.078 21.672 1.00 0.00 C ATOM 226 O THR A 14 43.057 55.732 20.705 1.00 0.00 O ATOM 227 CB THR A 14 42.132 56.815 23.379 1.00 0.00 C ATOM 228 OG1 THR A 14 42.514 57.447 24.580 1.00 0.00 O ATOM 229 CG2 THR A 14 40.642 56.507 23.496 1.00 0.00 C ATOM 0 H THR A 14 44.752 56.490 22.616 1.00 0.00 H new ATOM 0 HA THR A 14 42.672 54.790 23.805 1.00 0.00 H new ATOM 0 HB THR A 14 42.320 57.472 22.529 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.960 58.243 24.721 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.095 57.428 23.699 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.286 56.072 22.562 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.479 55.801 24.310 1.00 0.00 H new ATOM 237 N LEU A 15 41.988 53.944 21.546 1.00 0.00 N ATOM 238 CA LEU A 15 41.652 53.306 20.290 1.00 0.00 C ATOM 239 C LEU A 15 40.138 53.194 20.102 1.00 0.00 C ATOM 240 O LEU A 15 39.388 53.020 21.060 1.00 0.00 O ATOM 241 CB LEU A 15 42.320 51.937 20.202 1.00 0.00 C ATOM 242 CG LEU A 15 43.736 51.918 19.633 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.787 52.488 20.582 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.151 50.482 19.325 1.00 0.00 C ATOM 0 H LEU A 15 41.642 53.428 22.355 1.00 0.00 H new ATOM 0 HA LEU A 15 42.029 53.931 19.480 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.346 51.503 21.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.695 51.289 19.588 1.00 0.00 H new ATOM 0 HG LEU A 15 43.699 52.543 18.741 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.768 52.441 20.109 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.544 53.525 20.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.800 51.905 21.503 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.163 50.475 18.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.123 49.891 20.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.464 50.053 18.595 1.00 0.00 H new ATOM 256 N GLU A 16 39.694 53.252 18.850 1.00 0.00 N ATOM 257 CA GLU A 16 38.346 52.948 18.414 1.00 0.00 C ATOM 258 C GLU A 16 38.240 51.485 17.979 1.00 0.00 C ATOM 259 O GLU A 16 39.074 50.994 17.221 1.00 0.00 O ATOM 260 CB GLU A 16 37.986 53.906 17.283 1.00 0.00 C ATOM 261 CG GLU A 16 36.650 53.677 16.582 1.00 0.00 C ATOM 262 CD GLU A 16 35.428 54.012 17.438 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.507 53.174 17.552 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.316 55.152 17.940 1.00 0.00 O ATOM 0 H GLU A 16 40.300 53.527 18.077 1.00 0.00 H new ATOM 0 HA GLU A 16 37.640 53.082 19.233 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.989 54.920 17.683 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.775 53.857 16.533 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.620 54.280 15.675 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.588 52.633 16.273 1.00 0.00 H new ATOM 271 N VAL A 17 37.208 50.794 18.456 1.00 0.00 N ATOM 272 CA VAL A 17 36.905 49.405 18.172 1.00 0.00 C ATOM 273 C VAL A 17 35.397 49.168 18.068 1.00 0.00 C ATOM 274 O VAL A 17 34.613 49.890 18.680 1.00 0.00 O ATOM 275 CB VAL A 17 37.489 48.458 19.216 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.015 48.467 19.219 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.978 48.757 20.623 1.00 0.00 C ATOM 0 H VAL A 17 36.526 51.217 19.086 1.00 0.00 H new ATOM 0 HA VAL A 17 37.371 49.189 17.211 1.00 0.00 H new ATOM 0 HB VAL A 17 37.148 47.464 18.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.381 47.777 19.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.383 48.158 18.241 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.372 49.473 19.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.423 48.056 21.329 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.252 49.775 20.901 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.893 48.655 20.645 1.00 0.00 H new ATOM 287 N GLU A 18 34.992 48.106 17.376 1.00 0.00 N ATOM 288 CA GLU A 18 33.698 47.489 17.587 1.00 0.00 C ATOM 289 C GLU A 18 33.828 46.272 18.504 1.00 0.00 C ATOM 290 O GLU A 18 34.878 45.632 18.504 1.00 0.00 O ATOM 291 CB GLU A 18 33.029 47.105 16.270 1.00 0.00 C ATOM 292 CG GLU A 18 32.603 48.287 15.404 1.00 0.00 C ATOM 293 CD GLU A 18 31.642 49.256 16.096 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.739 48.828 16.846 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.772 50.482 15.891 1.00 0.00 O ATOM 0 H GLU A 18 35.555 47.654 16.656 1.00 0.00 H new ATOM 0 HA GLU A 18 33.058 48.226 18.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.716 46.481 15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.151 46.496 16.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.493 48.835 15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.130 47.908 14.498 1.00 0.00 H new ATOM 302 N PRO A 19 32.793 45.873 19.238 1.00 0.00 N ATOM 303 CA PRO A 19 32.811 44.666 20.041 1.00 0.00 C ATOM 304 C PRO A 19 33.103 43.389 19.252 1.00 0.00 C ATOM 305 O PRO A 19 33.564 42.402 19.823 1.00 0.00 O ATOM 306 CB PRO A 19 31.443 44.595 20.710 1.00 0.00 C ATOM 307 CG PRO A 19 30.939 46.035 20.711 1.00 0.00 C ATOM 308 CD PRO A 19 31.548 46.589 19.425 1.00 0.00 C ATOM 0 HA PRO A 19 33.629 44.722 20.759 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.767 43.939 20.161 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.517 44.200 21.723 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.850 46.086 20.701 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.275 46.584 21.591 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.879 46.437 18.578 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.722 47.662 19.505 1.00 0.00 H new ATOM 316 N SER A 20 32.860 43.412 17.945 1.00 0.00 N ATOM 317 CA SER A 20 33.174 42.371 16.987 1.00 0.00 C ATOM 318 C SER A 20 34.651 42.280 16.597 1.00 0.00 C ATOM 319 O SER A 20 35.029 41.298 15.962 1.00 0.00 O ATOM 320 CB SER A 20 32.397 42.600 15.694 1.00 0.00 C ATOM 321 OG SER A 20 31.011 42.767 15.898 1.00 0.00 O ATOM 0 H SER A 20 32.409 44.213 17.504 1.00 0.00 H new ATOM 0 HA SER A 20 32.900 41.445 17.492 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.792 43.483 15.192 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.560 41.754 15.026 1.00 0.00 H new ATOM 0 HG SER A 20 30.568 42.911 15.036 1.00 0.00 H new ATOM 327 N ASP A 21 35.485 43.272 16.893 1.00 0.00 N ATOM 328 CA ASP A 21 36.889 43.236 16.536 1.00 0.00 C ATOM 329 C ASP A 21 37.608 42.112 17.284 1.00 0.00 C ATOM 330 O ASP A 21 37.320 41.848 18.450 1.00 0.00 O ATOM 331 CB ASP A 21 37.574 44.572 16.810 1.00 0.00 C ATOM 332 CG ASP A 21 37.204 45.711 15.858 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.724 45.469 14.729 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.480 46.881 16.198 1.00 0.00 O ATOM 0 H ASP A 21 35.202 44.119 17.386 1.00 0.00 H new ATOM 0 HA ASP A 21 36.948 43.042 15.465 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.335 44.881 17.828 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.653 44.422 16.767 1.00 0.00 H new ATOM 339 N THR A 22 38.567 41.454 16.639 1.00 0.00 N ATOM 340 CA THR A 22 39.408 40.468 17.289 1.00 0.00 C ATOM 341 C THR A 22 40.582 41.105 18.033 1.00 0.00 C ATOM 342 O THR A 22 40.994 42.230 17.756 1.00 0.00 O ATOM 343 CB THR A 22 39.923 39.375 16.356 1.00 0.00 C ATOM 344 OG1 THR A 22 40.803 39.921 15.400 1.00 0.00 O ATOM 345 CG2 THR A 22 38.794 38.619 15.660 1.00 0.00 C ATOM 0 H THR A 22 38.779 41.593 15.651 1.00 0.00 H new ATOM 0 HA THR A 22 38.747 39.988 18.011 1.00 0.00 H new ATOM 0 HB THR A 22 40.459 38.655 16.975 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.127 39.209 14.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.216 37.854 15.009 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.156 38.148 16.408 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.202 39.315 15.066 1.00 0.00 H new ATOM 353 N ILE A 23 41.196 40.330 18.923 1.00 0.00 N ATOM 354 CA ILE A 23 42.454 40.676 19.552 1.00 0.00 C ATOM 355 C ILE A 23 43.536 40.955 18.507 1.00 0.00 C ATOM 356 O ILE A 23 44.290 41.915 18.647 1.00 0.00 O ATOM 357 CB ILE A 23 42.825 39.563 20.527 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.771 39.319 21.604 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.184 39.778 21.188 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.278 40.547 22.366 1.00 0.00 C ATOM 0 H ILE A 23 40.822 39.431 19.228 1.00 0.00 H new ATOM 0 HA ILE A 23 42.357 41.604 20.116 1.00 0.00 H new ATOM 0 HB ILE A 23 42.879 38.672 19.901 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.911 38.839 21.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.178 38.611 22.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.391 38.954 21.870 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.959 39.819 20.422 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.174 40.715 21.744 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.533 40.244 23.102 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.118 41.021 22.874 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.831 41.254 21.667 1.00 0.00 H new ATOM 372 N GLU A 24 43.576 40.215 17.401 1.00 0.00 N ATOM 373 CA GLU A 24 44.484 40.484 16.305 1.00 0.00 C ATOM 374 C GLU A 24 44.100 41.695 15.453 1.00 0.00 C ATOM 375 O GLU A 24 44.995 42.335 14.903 1.00 0.00 O ATOM 376 CB GLU A 24 44.669 39.209 15.488 1.00 0.00 C ATOM 377 CG GLU A 24 45.865 39.259 14.542 1.00 0.00 C ATOM 378 CD GLU A 24 46.049 37.902 13.858 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.476 36.940 14.532 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.760 37.778 12.649 1.00 0.00 O ATOM 0 H GLU A 24 42.972 39.408 17.246 1.00 0.00 H new ATOM 0 HA GLU A 24 45.444 40.776 16.731 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.789 38.366 16.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.765 39.024 14.908 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.714 40.036 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.766 39.521 15.096 1.00 0.00 H new ATOM 387 N ASN A 25 42.830 42.085 15.373 1.00 0.00 N ATOM 388 CA ASN A 25 42.460 43.384 14.850 1.00 0.00 C ATOM 389 C ASN A 25 42.998 44.500 15.747 1.00 0.00 C ATOM 390 O ASN A 25 43.546 45.472 15.230 1.00 0.00 O ATOM 391 CB ASN A 25 40.955 43.551 14.664 1.00 0.00 C ATOM 392 CG ASN A 25 40.294 42.681 13.592 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.273 42.036 13.820 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.808 42.694 12.365 1.00 0.00 N ATOM 0 H ASN A 25 42.040 41.511 15.668 1.00 0.00 H new ATOM 0 HA ASN A 25 42.914 43.453 13.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.469 43.344 15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.756 44.596 14.425 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.355 42.170 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.655 43.228 12.173 1.00 0.00 H new ATOM 401 N VAL A 26 42.928 44.366 17.069 1.00 0.00 N ATOM 402 CA VAL A 26 43.495 45.339 17.979 1.00 0.00 C ATOM 403 C VAL A 26 45.018 45.412 17.846 1.00 0.00 C ATOM 404 O VAL A 26 45.540 46.520 17.740 1.00 0.00 O ATOM 405 CB VAL A 26 43.057 45.113 19.424 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.657 46.146 20.372 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.541 45.227 19.561 1.00 0.00 C ATOM 0 H VAL A 26 42.476 43.578 17.532 1.00 0.00 H new ATOM 0 HA VAL A 26 43.097 46.311 17.688 1.00 0.00 H new ATOM 0 HB VAL A 26 43.404 44.113 19.685 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.318 45.947 21.389 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.745 46.087 20.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.337 47.144 20.072 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.256 45.062 20.600 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.221 46.222 19.251 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.061 44.479 18.930 1.00 0.00 H new ATOM 417 N LYS A 27 45.730 44.296 17.729 1.00 0.00 N ATOM 418 CA LYS A 27 47.150 44.317 17.439 1.00 0.00 C ATOM 419 C LYS A 27 47.471 45.061 16.140 1.00 0.00 C ATOM 420 O LYS A 27 48.402 45.863 16.107 1.00 0.00 O ATOM 421 CB LYS A 27 47.757 42.918 17.389 1.00 0.00 C ATOM 422 CG LYS A 27 47.835 42.190 18.727 1.00 0.00 C ATOM 423 CD LYS A 27 48.588 40.868 18.601 1.00 0.00 C ATOM 424 CE LYS A 27 48.774 40.219 19.969 1.00 0.00 C ATOM 425 NZ LYS A 27 49.498 38.943 19.878 1.00 0.00 N ATOM 0 H LYS A 27 45.338 43.360 17.833 1.00 0.00 H new ATOM 0 HA LYS A 27 47.603 44.860 18.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.172 42.311 16.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.763 42.991 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.333 42.825 19.460 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.828 42.002 19.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.039 40.193 17.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.560 41.041 18.140 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.320 40.900 20.622 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.799 40.051 20.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.371 38.408 20.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.125 38.389 19.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.510 39.128 19.728 1.00 0.00 H new ATOM 439 N ALA A 28 46.698 44.847 15.079 1.00 0.00 N ATOM 440 CA ALA A 28 46.891 45.529 13.816 1.00 0.00 C ATOM 441 C ALA A 28 46.535 47.017 13.858 1.00 0.00 C ATOM 442 O ALA A 28 47.151 47.808 13.148 1.00 0.00 O ATOM 443 CB ALA A 28 46.101 44.785 12.743 1.00 0.00 C ATOM 0 H ALA A 28 45.917 44.191 15.078 1.00 0.00 H new ATOM 0 HA ALA A 28 47.955 45.512 13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.233 45.283 11.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.461 43.759 12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.043 44.781 13.007 1.00 0.00 H new ATOM 449 N LYS A 29 45.598 47.433 14.706 1.00 0.00 N ATOM 450 CA LYS A 29 45.304 48.823 14.985 1.00 0.00 C ATOM 451 C LYS A 29 46.446 49.498 15.748 1.00 0.00 C ATOM 452 O LYS A 29 46.837 50.604 15.384 1.00 0.00 O ATOM 453 CB LYS A 29 43.978 48.942 15.731 1.00 0.00 C ATOM 454 CG LYS A 29 42.776 48.733 14.814 1.00 0.00 C ATOM 455 CD LYS A 29 41.463 48.677 15.590 1.00 0.00 C ATOM 456 CE LYS A 29 40.303 48.765 14.602 1.00 0.00 C ATOM 457 NZ LYS A 29 39.003 48.956 15.261 1.00 0.00 N ATOM 0 H LYS A 29 45.008 46.787 15.230 1.00 0.00 H new ATOM 0 HA LYS A 29 45.208 49.350 14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.950 48.208 16.536 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.912 49.926 16.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.732 49.543 14.086 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.905 47.807 14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.402 47.751 16.162 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.412 49.498 16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.481 49.591 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.271 47.854 14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.303 49.276 14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.689 48.056 15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.095 49.671 16.011 1.00 0.00 H new ATOM 471 N ILE A 30 47.060 48.826 16.718 1.00 0.00 N ATOM 472 CA ILE A 30 48.256 49.294 17.390 1.00 0.00 C ATOM 473 C ILE A 30 49.411 49.519 16.413 1.00 0.00 C ATOM 474 O ILE A 30 50.137 50.498 16.567 1.00 0.00 O ATOM 475 CB ILE A 30 48.633 48.363 18.539 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.621 48.386 19.681 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.039 48.605 19.080 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.585 49.653 20.531 1.00 0.00 C ATOM 0 H ILE A 30 46.729 47.924 17.061 1.00 0.00 H new ATOM 0 HA ILE A 30 48.036 50.269 17.824 1.00 0.00 H new ATOM 0 HB ILE A 30 48.619 47.368 18.095 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.628 48.229 19.260 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.827 47.540 20.337 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.240 47.909 19.894 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.767 48.452 18.283 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.116 49.628 19.450 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.828 49.549 21.308 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.560 49.809 20.993 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.342 50.508 19.900 1.00 0.00 H new ATOM 490 N GLN A 31 49.557 48.710 15.367 1.00 0.00 N ATOM 491 CA GLN A 31 50.549 48.962 14.340 1.00 0.00 C ATOM 492 C GLN A 31 50.276 50.254 13.566 1.00 0.00 C ATOM 493 O GLN A 31 51.228 50.970 13.262 1.00 0.00 O ATOM 494 CB GLN A 31 50.709 47.758 13.418 1.00 0.00 C ATOM 495 CG GLN A 31 51.970 47.867 12.565 1.00 0.00 C ATOM 496 CD GLN A 31 52.308 46.630 11.730 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.553 45.668 11.614 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.489 46.602 11.120 1.00 0.00 N ATOM 0 H GLN A 31 48.996 47.872 15.213 1.00 0.00 H new ATOM 0 HA GLN A 31 51.503 49.112 14.846 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.750 46.846 14.013 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.836 47.677 12.770 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.861 48.719 11.894 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.814 48.083 13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.127 47.393 11.207 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.757 45.789 10.565 1.00 0.00 H new ATOM 507 N ASP A 32 49.022 50.602 13.297 1.00 0.00 N ATOM 508 CA ASP A 32 48.672 51.869 12.684 1.00 0.00 C ATOM 509 C ASP A 32 48.941 53.058 13.608 1.00 0.00 C ATOM 510 O ASP A 32 49.556 54.028 13.168 1.00 0.00 O ATOM 511 CB ASP A 32 47.223 51.843 12.210 1.00 0.00 C ATOM 512 CG ASP A 32 46.860 53.074 11.376 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.927 53.820 11.746 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.506 53.299 10.330 1.00 0.00 O ATOM 0 H ASP A 32 48.219 50.007 13.501 1.00 0.00 H new ATOM 0 HA ASP A 32 49.318 52.006 11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.053 50.944 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.562 51.785 13.075 1.00 0.00 H new ATOM 519 N LYS A 33 48.539 52.969 14.872 1.00 0.00 N ATOM 520 CA LYS A 33 48.701 54.022 15.856 1.00 0.00 C ATOM 521 C LYS A 33 50.152 54.317 16.240 1.00 0.00 C ATOM 522 O LYS A 33 50.530 55.484 16.305 1.00 0.00 O ATOM 523 CB LYS A 33 47.907 53.711 17.121 1.00 0.00 C ATOM 524 CG LYS A 33 46.387 53.627 17.021 1.00 0.00 C ATOM 525 CD LYS A 33 45.744 54.766 16.233 1.00 0.00 C ATOM 526 CE LYS A 33 44.232 54.772 16.446 1.00 0.00 C ATOM 527 NZ LYS A 33 43.846 55.609 17.591 1.00 0.00 N ATOM 0 H LYS A 33 48.080 52.138 15.245 1.00 0.00 H new ATOM 0 HA LYS A 33 48.317 54.918 15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.267 52.760 17.514 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.149 54.474 17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.117 52.680 16.553 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.969 53.616 18.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.166 55.720 16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.968 54.655 15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.739 55.138 15.545 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.883 53.752 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.812 55.588 17.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.296 55.244 18.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.156 56.588 17.426 1.00 0.00 H new ATOM 541 N GLU A 34 50.938 53.287 16.541 1.00 0.00 N ATOM 542 CA GLU A 34 52.224 53.392 17.199 1.00 0.00 C ATOM 543 C GLU A 34 53.401 52.769 16.446 1.00 0.00 C ATOM 544 O GLU A 34 54.539 52.959 16.868 1.00 0.00 O ATOM 545 CB GLU A 34 52.128 52.761 18.585 1.00 0.00 C ATOM 546 CG GLU A 34 51.294 53.529 19.606 1.00 0.00 C ATOM 547 CD GLU A 34 51.926 54.853 20.042 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.117 54.869 20.422 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.232 55.891 19.989 1.00 0.00 O ATOM 0 H GLU A 34 50.682 52.324 16.323 1.00 0.00 H new ATOM 0 HA GLU A 34 52.441 54.459 17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.709 51.760 18.480 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.137 52.644 18.981 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.310 53.728 19.183 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.142 52.902 20.484 1.00 0.00 H new ATOM 556 N GLY A 35 53.187 52.033 15.358 1.00 0.00 N ATOM 557 CA GLY A 35 54.259 51.468 14.564 1.00 0.00 C ATOM 558 C GLY A 35 54.911 50.208 15.137 1.00 0.00 C ATOM 559 O GLY A 35 56.112 50.008 14.967 1.00 0.00 O ATOM 0 H GLY A 35 52.255 51.814 15.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.870 51.236 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.030 52.227 14.434 1.00 0.00 H new ATOM 563 N ILE A 36 54.149 49.368 15.832 1.00 0.00 N ATOM 564 CA ILE A 36 54.609 48.152 16.473 1.00 0.00 C ATOM 565 C ILE A 36 53.926 46.949 15.818 1.00 0.00 C ATOM 566 O ILE A 36 52.700 46.887 15.854 1.00 0.00 O ATOM 567 CB ILE A 36 54.344 48.197 17.975 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.902 49.454 18.636 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.921 46.952 18.641 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.502 49.639 20.097 1.00 0.00 C ATOM 0 H ILE A 36 53.151 49.529 15.966 1.00 0.00 H new ATOM 0 HA ILE A 36 55.687 48.057 16.342 1.00 0.00 H new ATOM 0 HB ILE A 36 53.263 48.223 18.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.990 49.429 18.572 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.569 50.324 18.070 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.728 46.991 19.713 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.451 46.063 18.220 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.996 46.911 18.467 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.945 50.558 20.482 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.416 49.700 20.172 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.859 48.791 20.682 1.00 0.00 H new ATOM 582 N PRO A 37 54.631 45.978 15.243 1.00 0.00 N ATOM 583 CA PRO A 37 54.011 44.873 14.540 1.00 0.00 C ATOM 584 C PRO A 37 53.337 43.867 15.476 1.00 0.00 C ATOM 585 O PRO A 37 53.911 43.561 16.518 1.00 0.00 O ATOM 586 CB PRO A 37 55.124 44.229 13.719 1.00 0.00 C ATOM 587 CG PRO A 37 56.381 44.542 14.525 1.00 0.00 C ATOM 588 CD PRO A 37 56.074 45.912 15.122 1.00 0.00 C ATOM 0 HA PRO A 37 53.199 45.232 13.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.973 43.155 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.176 44.647 12.714 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.560 43.796 15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.269 44.567 13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.553 46.031 16.094 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.449 46.710 14.482 1.00 0.00 H new ATOM 596 N PRO A 38 52.190 43.291 15.128 1.00 0.00 N ATOM 597 CA PRO A 38 51.496 42.271 15.888 1.00 0.00 C ATOM 598 C PRO A 38 52.360 41.091 16.338 1.00 0.00 C ATOM 599 O PRO A 38 52.161 40.571 17.434 1.00 0.00 O ATOM 600 CB PRO A 38 50.385 41.760 14.976 1.00 0.00 C ATOM 601 CG PRO A 38 50.015 42.993 14.156 1.00 0.00 C ATOM 602 CD PRO A 38 51.372 43.673 13.994 1.00 0.00 C ATOM 0 HA PRO A 38 51.143 42.721 16.816 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.728 40.942 14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.535 41.386 15.547 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.572 42.729 13.196 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.297 43.629 14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.845 43.368 13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.255 44.756 13.953 1.00 0.00 H new ATOM 610 N ASP A 39 53.351 40.705 15.539 1.00 0.00 N ATOM 611 CA ASP A 39 54.325 39.684 15.865 1.00 0.00 C ATOM 612 C ASP A 39 55.044 39.928 17.194 1.00 0.00 C ATOM 613 O ASP A 39 55.364 38.973 17.898 1.00 0.00 O ATOM 614 CB ASP A 39 55.323 39.635 14.712 1.00 0.00 C ATOM 615 CG ASP A 39 56.421 38.597 14.950 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.205 37.400 14.656 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.499 38.963 15.467 1.00 0.00 O ATOM 0 H ASP A 39 53.497 41.113 14.616 1.00 0.00 H new ATOM 0 HA ASP A 39 53.809 38.733 15.994 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.797 39.401 13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.775 40.618 14.582 1.00 0.00 H new ATOM 622 N GLN A 40 55.260 41.186 17.568 1.00 0.00 N ATOM 623 CA GLN A 40 55.978 41.599 18.757 1.00 0.00 C ATOM 624 C GLN A 40 55.077 42.064 19.903 1.00 0.00 C ATOM 625 O GLN A 40 55.594 42.531 20.916 1.00 0.00 O ATOM 626 CB GLN A 40 57.026 42.644 18.386 1.00 0.00 C ATOM 627 CG GLN A 40 58.124 42.157 17.445 1.00 0.00 C ATOM 628 CD GLN A 40 59.010 41.081 18.074 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.985 41.359 18.768 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.727 39.800 17.851 1.00 0.00 N ATOM 0 H GLN A 40 54.921 41.977 17.021 1.00 0.00 H new ATOM 0 HA GLN A 40 56.477 40.715 19.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.522 43.492 17.922 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.490 43.011 19.301 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.669 41.761 16.537 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.743 43.003 17.148 1.00 0.00 H new ATOM 0 HE21 GLN A 40 57.922 39.548 17.278 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.315 39.070 18.253 1.00 0.00 H new ATOM 639 N GLN A 41 53.760 41.920 19.795 1.00 0.00 N ATOM 640 CA GLN A 41 52.796 42.338 20.793 1.00 0.00 C ATOM 641 C GLN A 41 52.160 41.158 21.532 1.00 0.00 C ATOM 642 O GLN A 41 51.878 40.128 20.924 1.00 0.00 O ATOM 643 CB GLN A 41 51.667 43.135 20.148 1.00 0.00 C ATOM 644 CG GLN A 41 52.056 44.411 19.407 1.00 0.00 C ATOM 645 CD GLN A 41 50.812 45.072 18.814 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.738 45.085 19.412 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.857 45.602 17.594 1.00 0.00 N ATOM 0 H GLN A 41 53.324 41.493 18.978 1.00 0.00 H new ATOM 0 HA GLN A 41 53.352 42.947 21.506 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.148 42.481 19.447 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.952 43.400 20.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.554 45.100 20.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.767 44.178 18.614 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.733 45.607 17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.015 46.004 17.181 1.00 0.00 H new ATOM 656 N ARG A 42 51.807 41.351 22.800 1.00 0.00 N ATOM 657 CA ARG A 42 50.894 40.548 23.588 1.00 0.00 C ATOM 658 C ARG A 42 49.865 41.467 24.250 1.00 0.00 C ATOM 659 O ARG A 42 50.253 42.473 24.839 1.00 0.00 O ATOM 660 CB ARG A 42 51.668 39.780 24.655 1.00 0.00 C ATOM 661 CG ARG A 42 52.549 38.659 24.113 1.00 0.00 C ATOM 662 CD ARG A 42 53.593 38.222 25.136 1.00 0.00 C ATOM 663 NE ARG A 42 52.991 37.804 26.403 1.00 0.00 N ATOM 664 CZ ARG A 42 53.325 38.184 27.643 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.412 38.917 27.923 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.519 37.831 28.653 1.00 0.00 N ATOM 0 H ARG A 42 52.183 42.132 23.337 1.00 0.00 H new ATOM 0 HA ARG A 42 50.384 39.833 22.943 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.293 40.481 25.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.959 39.356 25.366 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.927 37.806 23.840 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.048 38.994 23.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.178 37.399 24.726 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.285 39.044 25.319 1.00 0.00 H new ATOM 0 HE ARG A 42 52.220 37.140 26.333 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.034 39.214 27.171 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.617 39.177 28.888 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.676 37.287 28.467 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.748 38.106 29.608 1.00 0.00 H new ATOM 680 N LEU A 43 48.576 41.146 24.166 1.00 0.00 N ATOM 681 CA LEU A 43 47.515 41.944 24.744 1.00 0.00 C ATOM 682 C LEU A 43 46.934 41.303 26.005 1.00 0.00 C ATOM 683 O LEU A 43 46.546 40.137 26.006 1.00 0.00 O ATOM 684 CB LEU A 43 46.453 42.270 23.700 1.00 0.00 C ATOM 685 CG LEU A 43 46.929 43.143 22.541 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.801 43.354 21.535 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.384 44.529 22.990 1.00 0.00 C ATOM 0 H LEU A 43 48.242 40.310 23.686 1.00 0.00 H new ATOM 0 HA LEU A 43 47.946 42.891 25.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.065 41.335 23.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.622 42.772 24.195 1.00 0.00 H new ATOM 0 HG LEU A 43 47.772 42.611 22.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.157 43.978 20.715 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.478 42.390 21.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.962 43.845 22.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.711 45.103 22.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.555 45.045 23.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.211 44.430 23.693 1.00 0.00 H new ATOM 699 N ILE A 44 46.886 42.093 27.075 1.00 0.00 N ATOM 700 CA ILE A 44 46.541 41.699 28.426 1.00 0.00 C ATOM 701 C ILE A 44 45.343 42.509 28.924 1.00 0.00 C ATOM 702 O ILE A 44 45.280 43.721 28.730 1.00 0.00 O ATOM 703 CB ILE A 44 47.744 41.873 29.349 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.067 41.313 28.834 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.472 41.340 30.753 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.122 39.813 28.557 1.00 0.00 C ATOM 0 H ILE A 44 47.102 43.088 27.010 1.00 0.00 H new ATOM 0 HA ILE A 44 46.261 40.645 28.428 1.00 0.00 H new ATOM 0 HB ILE A 44 47.874 42.955 29.378 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.322 41.837 27.913 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.843 41.552 29.562 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.356 41.485 31.375 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.629 41.877 31.189 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.237 40.277 30.699 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.115 39.546 28.197 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.909 39.265 29.475 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.380 39.555 27.801 1.00 0.00 H new ATOM 718 N PHE A 45 44.397 41.864 29.601 1.00 0.00 N ATOM 719 CA PHE A 45 43.246 42.484 30.227 1.00 0.00 C ATOM 720 C PHE A 45 42.808 41.715 31.475 1.00 0.00 C ATOM 721 O PHE A 45 42.851 40.487 31.497 1.00 0.00 O ATOM 722 CB PHE A 45 42.104 42.562 29.218 1.00 0.00 C ATOM 723 CG PHE A 45 40.805 43.117 29.753 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.665 44.493 29.960 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.745 42.254 30.060 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.471 45.009 30.477 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.548 42.767 30.572 1.00 0.00 C ATOM 728 CZ PHE A 45 38.411 44.146 30.779 1.00 0.00 C ATOM 0 H PHE A 45 44.418 40.852 29.730 1.00 0.00 H new ATOM 0 HA PHE A 45 43.521 43.490 30.544 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.425 43.179 28.378 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.919 41.562 28.826 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.480 45.159 29.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.852 41.191 29.901 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.368 46.071 30.643 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.731 42.101 30.807 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.487 44.543 31.172 1.00 0.00 H new ATOM 738 N ALA A 46 42.404 42.438 32.516 1.00 0.00 N ATOM 739 CA ALA A 46 42.089 41.915 33.829 1.00 0.00 C ATOM 740 C ALA A 46 43.157 40.967 34.379 1.00 0.00 C ATOM 741 O ALA A 46 42.850 39.943 34.985 1.00 0.00 O ATOM 742 CB ALA A 46 40.666 41.361 33.811 1.00 0.00 C ATOM 0 H ALA A 46 42.284 43.449 32.458 1.00 0.00 H new ATOM 0 HA ALA A 46 42.110 42.725 34.558 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.418 40.964 34.795 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.968 42.158 33.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.595 40.565 33.070 1.00 0.00 H new ATOM 748 N GLY A 47 44.425 41.284 34.131 1.00 0.00 N ATOM 749 CA GLY A 47 45.584 40.509 34.524 1.00 0.00 C ATOM 750 C GLY A 47 45.910 39.277 33.678 1.00 0.00 C ATOM 751 O GLY A 47 46.910 38.616 33.955 1.00 0.00 O ATOM 0 H GLY A 47 44.678 42.133 33.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.452 41.168 34.513 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.442 40.185 35.555 1.00 0.00 H new ATOM 755 N LYS A 48 45.115 38.962 32.660 1.00 0.00 N ATOM 756 CA LYS A 48 45.191 37.746 31.877 1.00 0.00 C ATOM 757 C LYS A 48 45.481 38.027 30.401 1.00 0.00 C ATOM 758 O LYS A 48 45.085 39.065 29.877 1.00 0.00 O ATOM 759 CB LYS A 48 43.877 36.978 32.000 1.00 0.00 C ATOM 760 CG LYS A 48 43.444 36.639 33.424 1.00 0.00 C ATOM 761 CD LYS A 48 42.186 35.776 33.383 1.00 0.00 C ATOM 762 CE LYS A 48 41.621 35.564 34.784 1.00 0.00 C ATOM 763 NZ LYS A 48 40.560 34.545 34.762 1.00 0.00 N ATOM 0 H LYS A 48 44.367 39.581 32.349 1.00 0.00 H new ATOM 0 HA LYS A 48 46.017 37.152 32.269 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.088 37.565 31.529 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.965 36.050 31.435 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.244 36.110 33.942 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.252 37.554 33.984 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.435 36.252 32.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.417 34.812 32.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.417 35.254 35.461 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.224 36.503 35.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.186 34.413 35.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.793 34.856 34.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.950 33.645 34.415 1.00 0.00 H new ATOM 777 N GLN A 49 46.136 37.095 29.715 1.00 0.00 N ATOM 778 CA GLN A 49 46.415 37.190 28.297 1.00 0.00 C ATOM 779 C GLN A 49 45.179 36.864 27.456 1.00 0.00 C ATOM 780 O GLN A 49 44.408 35.965 27.780 1.00 0.00 O ATOM 781 CB GLN A 49 47.636 36.338 27.961 1.00 0.00 C ATOM 782 CG GLN A 49 48.154 36.523 26.538 1.00 0.00 C ATOM 783 CD GLN A 49 49.635 36.159 26.426 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.485 36.734 27.104 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.041 35.214 25.583 1.00 0.00 N ATOM 0 H GLN A 49 46.492 36.240 30.142 1.00 0.00 H new ATOM 0 HA GLN A 49 46.662 38.220 28.039 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.436 36.578 28.661 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.385 35.288 28.111 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.574 35.902 25.855 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.009 37.558 26.229 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.361 34.718 25.007 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.032 34.985 25.513 1.00 0.00 H new ATOM 794 N LEU A 50 44.995 37.605 26.367 1.00 0.00 N ATOM 795 CA LEU A 50 43.882 37.467 25.449 1.00 0.00 C ATOM 796 C LEU A 50 44.295 36.680 24.204 1.00 0.00 C ATOM 797 O LEU A 50 45.325 36.982 23.605 1.00 0.00 O ATOM 798 CB LEU A 50 43.369 38.858 25.087 1.00 0.00 C ATOM 799 CG LEU A 50 42.941 39.741 26.256 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.644 41.148 25.745 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.686 39.189 26.924 1.00 0.00 C ATOM 0 H LEU A 50 45.644 38.343 26.095 1.00 0.00 H new ATOM 0 HA LEU A 50 43.080 36.904 25.926 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.150 39.378 24.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.520 38.746 24.413 1.00 0.00 H new ATOM 0 HG LEU A 50 43.751 39.761 26.985 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.338 41.781 26.578 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.539 41.564 25.283 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.842 41.106 25.008 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.401 39.836 27.754 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.874 39.151 26.198 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.885 38.185 27.298 1.00 0.00 H new ATOM 813 N GLU A 51 43.509 35.683 23.808 1.00 0.00 N ATOM 814 CA GLU A 51 43.742 34.837 22.655 1.00 0.00 C ATOM 815 C GLU A 51 43.510 35.584 21.340 1.00 0.00 C ATOM 816 O GLU A 51 42.476 36.218 21.149 1.00 0.00 O ATOM 817 CB GLU A 51 42.842 33.606 22.702 1.00 0.00 C ATOM 818 CG GLU A 51 43.098 32.653 23.866 1.00 0.00 C ATOM 819 CD GLU A 51 41.982 31.614 23.991 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.101 31.766 24.865 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.968 30.639 23.209 1.00 0.00 O ATOM 0 H GLU A 51 42.655 35.437 24.309 1.00 0.00 H new ATOM 0 HA GLU A 51 44.787 34.530 22.693 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.804 33.937 22.747 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.961 33.054 21.770 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.053 32.148 23.722 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.174 33.221 24.793 1.00 0.00 H new ATOM 828 N ASP A 52 44.435 35.459 20.393 1.00 0.00 N ATOM 829 CA ASP A 52 44.510 36.305 19.218 1.00 0.00 C ATOM 830 C ASP A 52 43.337 36.143 18.248 1.00 0.00 C ATOM 831 O ASP A 52 43.100 37.028 17.431 1.00 0.00 O ATOM 832 CB ASP A 52 45.851 36.113 18.516 1.00 0.00 C ATOM 833 CG ASP A 52 46.995 36.954 19.088 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.931 37.429 20.242 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.014 37.130 18.386 1.00 0.00 O ATOM 0 H ASP A 52 45.167 34.749 20.427 1.00 0.00 H new ATOM 0 HA ASP A 52 44.433 37.332 19.575 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.128 35.060 18.572 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.732 36.356 17.460 1.00 0.00 H new ATOM 840 N GLY A 53 42.596 35.040 18.311 1.00 0.00 N ATOM 841 CA GLY A 53 41.432 34.783 17.487 1.00 0.00 C ATOM 842 C GLY A 53 40.083 35.229 18.056 1.00 0.00 C ATOM 843 O GLY A 53 39.110 35.270 17.307 1.00 0.00 O ATOM 0 H GLY A 53 42.801 34.280 18.960 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.578 35.277 16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.382 33.712 17.290 1.00 0.00 H new ATOM 847 N ARG A 54 39.986 35.548 19.344 1.00 0.00 N ATOM 848 CA ARG A 54 38.736 35.882 19.997 1.00 0.00 C ATOM 849 C ARG A 54 38.345 37.344 19.766 1.00 0.00 C ATOM 850 O ARG A 54 39.202 38.188 19.517 1.00 0.00 O ATOM 851 CB ARG A 54 38.812 35.526 21.479 1.00 0.00 C ATOM 852 CG ARG A 54 38.697 34.022 21.708 1.00 0.00 C ATOM 853 CD ARG A 54 38.954 33.607 23.154 1.00 0.00 C ATOM 854 NE ARG A 54 37.851 33.906 24.068 1.00 0.00 N ATOM 855 CZ ARG A 54 37.724 33.390 25.300 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.605 32.521 25.814 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.700 33.736 26.092 1.00 0.00 N ATOM 0 H ARG A 54 40.792 35.580 19.969 1.00 0.00 H new ATOM 0 HA ARG A 54 37.940 35.287 19.549 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.755 35.885 21.891 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.014 36.037 22.017 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.700 33.693 21.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.406 33.508 21.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.155 32.536 23.183 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.853 34.110 23.510 1.00 0.00 H new ATOM 0 HE ARG A 54 37.129 34.551 23.746 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.412 32.227 25.263 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.469 32.154 26.756 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.001 34.402 25.761 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.619 33.334 27.026 1.00 0.00 H new ATOM 871 N THR A 55 37.054 37.646 19.868 1.00 0.00 N ATOM 872 CA THR A 55 36.518 38.992 19.808 1.00 0.00 C ATOM 873 C THR A 55 36.442 39.663 21.181 1.00 0.00 C ATOM 874 O THR A 55 36.485 38.991 22.209 1.00 0.00 O ATOM 875 CB THR A 55 35.169 39.084 19.102 1.00 0.00 C ATOM 876 OG1 THR A 55 34.143 38.446 19.828 1.00 0.00 O ATOM 877 CG2 THR A 55 35.191 38.474 17.704 1.00 0.00 C ATOM 0 H THR A 55 36.334 36.935 19.999 1.00 0.00 H new ATOM 0 HA THR A 55 37.238 39.540 19.201 1.00 0.00 H new ATOM 0 HB THR A 55 34.969 40.153 19.030 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.203 37.477 19.696 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.204 38.568 17.250 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.924 38.997 17.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.460 37.420 17.771 1.00 0.00 H new ATOM 885 N LEU A 56 36.286 40.983 21.219 1.00 0.00 N ATOM 886 CA LEU A 56 36.130 41.726 22.454 1.00 0.00 C ATOM 887 C LEU A 56 34.924 41.246 23.265 1.00 0.00 C ATOM 888 O LEU A 56 35.040 41.051 24.473 1.00 0.00 O ATOM 889 CB LEU A 56 36.040 43.220 22.162 1.00 0.00 C ATOM 890 CG LEU A 56 37.185 43.818 21.349 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.051 45.337 21.310 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.565 43.471 21.901 1.00 0.00 C ATOM 0 H LEU A 56 36.265 41.567 20.383 1.00 0.00 H new ATOM 0 HA LEU A 56 37.013 41.543 23.067 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.107 43.410 21.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.980 43.752 23.112 1.00 0.00 H new ATOM 0 HG LEU A 56 37.109 43.385 20.351 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.870 45.760 20.729 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.101 45.607 20.848 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.085 45.731 22.326 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.332 43.928 21.276 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.655 43.848 22.920 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.695 42.389 21.902 1.00 0.00 H new ATOM 904 N SER A 57 33.797 40.966 22.617 1.00 0.00 N ATOM 905 CA SER A 57 32.633 40.387 23.258 1.00 0.00 C ATOM 906 C SER A 57 32.824 38.950 23.749 1.00 0.00 C ATOM 907 O SER A 57 32.150 38.560 24.699 1.00 0.00 O ATOM 908 CB SER A 57 31.422 40.465 22.333 1.00 0.00 C ATOM 909 OG SER A 57 30.967 41.800 22.291 1.00 0.00 O ATOM 0 H SER A 57 33.670 41.139 21.620 1.00 0.00 H new ATOM 0 HA SER A 57 32.468 40.987 24.153 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.689 40.126 21.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.630 39.807 22.692 1.00 0.00 H new ATOM 0 HG SER A 57 30.189 41.862 21.698 1.00 0.00 H new ATOM 915 N ASP A 58 33.763 38.176 23.211 1.00 0.00 N ATOM 916 CA ASP A 58 34.139 36.888 23.758 1.00 0.00 C ATOM 917 C ASP A 58 34.909 36.986 25.076 1.00 0.00 C ATOM 918 O ASP A 58 35.059 35.986 25.775 1.00 0.00 O ATOM 919 CB ASP A 58 34.929 36.060 22.749 1.00 0.00 C ATOM 920 CG ASP A 58 34.188 35.821 21.431 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.976 35.518 21.457 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.818 35.963 20.360 1.00 0.00 O ATOM 0 H ASP A 58 34.286 38.434 22.374 1.00 0.00 H new ATOM 0 HA ASP A 58 33.199 36.382 23.977 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.872 36.564 22.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.175 35.097 23.196 1.00 0.00 H new ATOM 927 N TYR A 59 35.369 38.179 25.443 1.00 0.00 N ATOM 928 CA TYR A 59 35.947 38.518 26.729 1.00 0.00 C ATOM 929 C TYR A 59 35.102 39.513 27.527 1.00 0.00 C ATOM 930 O TYR A 59 35.582 40.084 28.503 1.00 0.00 O ATOM 931 CB TYR A 59 37.383 38.985 26.514 1.00 0.00 C ATOM 932 CG TYR A 59 38.345 37.861 26.214 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.665 36.956 27.233 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.960 37.761 24.960 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.623 35.958 27.017 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.946 36.789 24.748 1.00 0.00 C ATOM 937 CZ TYR A 59 40.282 35.883 25.774 1.00 0.00 C ATOM 938 OH TYR A 59 41.254 34.950 25.568 1.00 0.00 O ATOM 0 H TYR A 59 35.344 38.978 24.809 1.00 0.00 H new ATOM 0 HA TYR A 59 35.959 37.625 27.354 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.405 39.700 25.691 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.722 39.514 27.405 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.170 37.028 28.190 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.676 38.430 24.161 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.855 35.250 27.799 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.451 36.734 23.795 1.00 0.00 H new ATOM 0 HH TYR A 59 40.878 34.053 25.689 1.00 0.00 H new ATOM 948 N ASN A 60 33.843 39.719 27.149 1.00 0.00 N ATOM 949 CA ASN A 60 32.924 40.642 27.785 1.00 0.00 C ATOM 950 C ASN A 60 33.406 42.094 27.819 1.00 0.00 C ATOM 951 O ASN A 60 32.950 42.867 28.658 1.00 0.00 O ATOM 952 CB ASN A 60 32.481 40.112 29.145 1.00 0.00 C ATOM 953 CG ASN A 60 31.771 38.757 29.159 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.473 38.139 28.139 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.439 38.260 30.347 1.00 0.00 N ATOM 0 H ASN A 60 33.425 39.226 26.360 1.00 0.00 H new ATOM 0 HA ASN A 60 32.041 40.689 27.148 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.360 40.041 29.785 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.816 40.849 29.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.941 37.372 30.407 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.683 38.767 31.198 1.00 0.00 H new ATOM 962 N ILE A 61 34.320 42.509 26.946 1.00 0.00 N ATOM 963 CA ILE A 61 34.927 43.824 26.951 1.00 0.00 C ATOM 964 C ILE A 61 33.960 44.863 26.377 1.00 0.00 C ATOM 965 O ILE A 61 33.386 44.671 25.307 1.00 0.00 O ATOM 966 CB ILE A 61 36.279 43.808 26.244 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.269 42.917 26.988 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.859 45.210 26.078 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.602 42.694 26.279 1.00 0.00 C ATOM 0 H ILE A 61 34.666 41.914 26.193 1.00 0.00 H new ATOM 0 HA ILE A 61 35.128 44.117 27.981 1.00 0.00 H new ATOM 0 HB ILE A 61 36.110 43.400 25.248 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.465 43.356 27.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.802 41.948 27.162 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.821 45.148 25.570 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.175 45.819 25.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.995 45.666 27.059 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.235 42.048 26.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.426 42.222 25.313 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.099 43.652 26.129 1.00 0.00 H new ATOM 981 N GLN A 62 33.798 45.973 27.091 1.00 0.00 N ATOM 982 CA GLN A 62 32.867 47.047 26.812 1.00 0.00 C ATOM 983 C GLN A 62 33.542 48.420 26.780 1.00 0.00 C ATOM 984 O GLN A 62 34.728 48.558 27.070 1.00 0.00 O ATOM 985 CB GLN A 62 31.762 46.996 27.862 1.00 0.00 C ATOM 986 CG GLN A 62 30.882 45.753 27.766 1.00 0.00 C ATOM 987 CD GLN A 62 29.858 45.649 28.898 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.781 46.477 29.804 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.021 44.615 28.898 1.00 0.00 N ATOM 0 H GLN A 62 34.350 46.152 27.930 1.00 0.00 H new ATOM 0 HA GLN A 62 32.450 46.905 25.815 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.213 47.035 28.854 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.136 47.882 27.761 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.358 45.760 26.810 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.515 44.866 27.775 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.071 43.919 28.154 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.330 44.519 29.642 1.00 0.00 H new ATOM 998 N LYS A 63 32.783 49.456 26.435 1.00 0.00 N ATOM 999 CA LYS A 63 33.172 50.851 26.370 1.00 0.00 C ATOM 1000 C LYS A 63 34.031 51.326 27.543 1.00 0.00 C ATOM 1001 O LYS A 63 33.709 51.097 28.706 1.00 0.00 O ATOM 1002 CB LYS A 63 31.897 51.678 26.235 1.00 0.00 C ATOM 1003 CG LYS A 63 32.054 53.193 26.316 1.00 0.00 C ATOM 1004 CD LYS A 63 30.713 53.887 26.092 1.00 0.00 C ATOM 1005 CE LYS A 63 30.846 55.396 25.915 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.866 56.141 27.183 1.00 0.00 N ATOM 0 H LYS A 63 31.805 49.326 26.175 1.00 0.00 H new ATOM 0 HA LYS A 63 33.821 50.982 25.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.432 51.434 25.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.204 51.365 27.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.454 53.471 27.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.773 53.530 25.569 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.234 53.464 25.209 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.058 53.682 26.939 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.762 55.609 25.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.017 55.756 25.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.924 57.160 26.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.996 55.941 27.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.692 55.849 27.744 1.00 0.00 H new ATOM 1020 N GLU A 64 35.097 52.055 27.222 1.00 0.00 N ATOM 1021 CA GLU A 64 36.015 52.699 28.139 1.00 0.00 C ATOM 1022 C GLU A 64 36.732 51.743 29.095 1.00 0.00 C ATOM 1023 O GLU A 64 37.103 52.105 30.209 1.00 0.00 O ATOM 1024 CB GLU A 64 35.363 53.917 28.789 1.00 0.00 C ATOM 1025 CG GLU A 64 35.065 55.016 27.772 1.00 0.00 C ATOM 1026 CD GLU A 64 34.292 56.184 28.387 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.845 57.304 28.429 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.122 56.000 28.787 1.00 0.00 O ATOM 0 H GLU A 64 35.353 52.218 26.248 1.00 0.00 H new ATOM 0 HA GLU A 64 36.849 53.082 27.551 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.437 53.615 29.278 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.020 54.309 29.565 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.002 55.384 27.353 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.490 54.597 26.946 1.00 0.00 H new ATOM 1035 N SER A 65 36.940 50.501 28.668 1.00 0.00 N ATOM 1036 CA SER A 65 37.851 49.567 29.297 1.00 0.00 C ATOM 1037 C SER A 65 39.308 50.014 29.161 1.00 0.00 C ATOM 1038 O SER A 65 39.635 50.736 28.222 1.00 0.00 O ATOM 1039 CB SER A 65 37.718 48.183 28.666 1.00 0.00 C ATOM 1040 OG SER A 65 36.420 47.670 28.873 1.00 0.00 O ATOM 0 H SER A 65 36.465 50.112 27.854 1.00 0.00 H new ATOM 0 HA SER A 65 37.585 49.533 30.353 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.926 48.242 27.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.456 47.507 29.098 1.00 0.00 H new ATOM 0 HG SER A 65 35.882 47.805 28.065 1.00 0.00 H new ATOM 1046 N THR A 66 40.195 49.548 30.036 1.00 0.00 N ATOM 1047 CA THR A 66 41.629 49.730 29.936 1.00 0.00 C ATOM 1048 C THR A 66 42.326 48.378 29.774 1.00 0.00 C ATOM 1049 O THR A 66 42.264 47.520 30.652 1.00 0.00 O ATOM 1050 CB THR A 66 42.191 50.490 31.135 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.638 51.785 31.203 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.699 50.703 31.054 1.00 0.00 C ATOM 0 H THR A 66 39.919 49.015 30.861 1.00 0.00 H new ATOM 0 HA THR A 66 41.825 50.335 29.051 1.00 0.00 H new ATOM 0 HB THR A 66 41.941 49.876 32.000 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.007 52.258 31.978 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.037 51.249 31.935 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.201 49.737 31.011 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.938 51.276 30.158 1.00 0.00 H new ATOM 1060 N LEU A 67 42.999 48.198 28.641 1.00 0.00 N ATOM 1061 CA LEU A 67 43.829 47.061 28.300 1.00 0.00 C ATOM 1062 C LEU A 67 45.301 47.417 28.514 1.00 0.00 C ATOM 1063 O LEU A 67 45.659 48.587 28.627 1.00 0.00 O ATOM 1064 CB LEU A 67 43.555 46.641 26.858 1.00 0.00 C ATOM 1065 CG LEU A 67 42.232 45.933 26.583 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.988 46.788 26.805 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.215 45.449 25.136 1.00 0.00 C ATOM 0 H LEU A 67 42.973 48.891 27.893 1.00 0.00 H new ATOM 0 HA LEU A 67 43.590 46.217 28.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.599 47.532 26.231 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.364 45.985 26.537 1.00 0.00 H new ATOM 0 HG LEU A 67 42.185 45.116 27.302 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.098 46.199 26.584 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.955 47.120 27.843 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.021 47.656 26.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.272 44.942 24.933 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.320 46.302 24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.041 44.757 24.974 1.00 0.00 H new ATOM 1079 N HIS A 68 46.184 46.422 28.540 1.00 0.00 N ATOM 1080 CA HIS A 68 47.611 46.600 28.714 1.00 0.00 C ATOM 1081 C HIS A 68 48.372 45.906 27.582 1.00 0.00 C ATOM 1082 O HIS A 68 48.106 44.751 27.258 1.00 0.00 O ATOM 1083 CB HIS A 68 48.022 46.094 30.095 1.00 0.00 C ATOM 1084 CG HIS A 68 47.455 46.874 31.250 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.195 47.655 32.136 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.148 46.875 31.661 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.326 48.146 33.023 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.089 47.689 32.775 1.00 0.00 N ATOM 0 H HIS A 68 45.912 45.444 28.437 1.00 0.00 H new ATOM 0 HA HIS A 68 47.866 47.658 28.662 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.713 45.053 30.192 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.110 46.111 30.163 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.326 46.344 31.204 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.583 48.818 33.828 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.251 47.905 33.315 1.00 0.00 H new ATOM 1096 N LEU A 69 49.305 46.620 26.957 1.00 0.00 N ATOM 1097 CA LEU A 69 50.111 46.153 25.847 1.00 0.00 C ATOM 1098 C LEU A 69 51.516 45.788 26.330 1.00 0.00 C ATOM 1099 O LEU A 69 52.278 46.669 26.720 1.00 0.00 O ATOM 1100 CB LEU A 69 50.133 47.237 24.773 1.00 0.00 C ATOM 1101 CG LEU A 69 51.159 47.056 23.659 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.936 45.785 22.844 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.095 48.249 22.709 1.00 0.00 C ATOM 0 H LEU A 69 49.524 47.579 27.226 1.00 0.00 H new ATOM 0 HA LEU A 69 49.682 45.248 25.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.142 47.293 24.322 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.317 48.196 25.257 1.00 0.00 H new ATOM 0 HG LEU A 69 52.133 46.980 24.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.697 45.713 22.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.002 44.916 23.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.949 45.817 22.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.828 48.120 21.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.097 48.316 22.276 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.314 49.164 23.259 1.00 0.00 H new ATOM 1115 N VAL A 70 51.876 44.509 26.254 1.00 0.00 N ATOM 1116 CA VAL A 70 53.193 44.000 26.579 1.00 0.00 C ATOM 1117 C VAL A 70 53.936 43.662 25.284 1.00 0.00 C ATOM 1118 O VAL A 70 53.338 43.155 24.338 1.00 0.00 O ATOM 1119 CB VAL A 70 53.104 42.803 27.520 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.486 42.343 27.975 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.309 43.119 28.784 1.00 0.00 C ATOM 0 H VAL A 70 51.231 43.778 25.953 1.00 0.00 H new ATOM 0 HA VAL A 70 53.758 44.766 27.110 1.00 0.00 H new ATOM 0 HB VAL A 70 52.604 42.024 26.945 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.383 41.489 28.644 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.078 42.054 27.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.986 43.157 28.500 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.274 42.236 29.422 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.790 43.936 29.322 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.295 43.411 28.512 1.00 0.00 H new ATOM 1131 N LEU A 71 55.232 43.952 25.229 1.00 0.00 N ATOM 1132 CA LEU A 71 56.067 43.744 24.063 1.00 0.00 C ATOM 1133 C LEU A 71 56.984 42.530 24.229 1.00 0.00 C ATOM 1134 O LEU A 71 57.367 42.187 25.345 1.00 0.00 O ATOM 1135 CB LEU A 71 56.836 45.020 23.734 1.00 0.00 C ATOM 1136 CG LEU A 71 55.976 46.256 23.493 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.857 47.410 23.023 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.886 46.034 22.448 1.00 0.00 C ATOM 0 H LEU A 71 55.740 44.349 26.020 1.00 0.00 H new ATOM 0 HA LEU A 71 55.424 43.516 23.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.524 45.231 24.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.442 44.841 22.846 1.00 0.00 H new ATOM 0 HG LEU A 71 55.490 46.483 24.442 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.240 48.292 22.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.603 47.632 23.786 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.358 47.131 22.096 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.310 46.951 22.323 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.344 45.761 21.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.225 45.232 22.776 1.00 0.00 H new ATOM 1150 N ARG A 72 57.338 41.879 23.125 1.00 0.00 N ATOM 1151 CA ARG A 72 58.256 40.758 23.087 1.00 0.00 C ATOM 1152 C ARG A 72 59.720 41.204 23.102 1.00 0.00 C ATOM 1153 O ARG A 72 60.055 42.217 22.492 1.00 0.00 O ATOM 1154 CB ARG A 72 57.974 39.876 21.874 1.00 0.00 C ATOM 1155 CG ARG A 72 56.602 39.211 21.928 1.00 0.00 C ATOM 1156 CD ARG A 72 56.509 38.142 20.843 1.00 0.00 C ATOM 1157 NE ARG A 72 55.118 37.782 20.565 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.376 36.876 21.216 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.844 36.160 22.248 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.108 36.667 20.835 1.00 0.00 N ATOM 0 H ARG A 72 56.979 42.130 22.204 1.00 0.00 H new ATOM 0 HA ARG A 72 58.091 40.176 23.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.044 40.479 20.969 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.743 39.106 21.805 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.442 38.763 22.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.819 39.956 21.786 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.981 38.506 19.931 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.060 37.255 21.156 1.00 0.00 H new ATOM 0 HE ARG A 72 54.665 38.273 19.794 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.803 36.294 22.569 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.241 35.481 22.713 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.716 37.196 20.056 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.535 35.979 21.324 1.00 0.00 H new ATOM 1174 N LEU A 73 60.571 40.420 23.758 1.00 0.00 N ATOM 1175 CA LEU A 73 61.989 40.683 23.903 1.00 0.00 C ATOM 1176 C LEU A 73 62.899 39.534 23.464 1.00 0.00 C ATOM 1177 O LEU A 73 63.990 39.788 22.959 1.00 0.00 O ATOM 1178 CB LEU A 73 62.291 41.059 25.351 1.00 0.00 C ATOM 1179 CG LEU A 73 61.732 42.393 25.837 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.064 42.568 27.316 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.325 43.578 25.081 1.00 0.00 C ATOM 0 H LEU A 73 60.277 39.557 24.216 1.00 0.00 H new ATOM 0 HA LEU A 73 62.212 41.508 23.227 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.903 40.271 25.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.373 41.074 25.481 1.00 0.00 H new ATOM 0 HG LEU A 73 60.656 42.374 25.665 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.667 43.520 27.668 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.617 41.755 27.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.146 42.555 27.450 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.896 44.505 25.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.406 43.594 25.220 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.097 43.483 24.019 1.00 0.00 H new ATOM 1193 N ARG A 74 62.490 38.277 23.615 1.00 0.00 N ATOM 1194 CA ARG A 74 63.331 37.118 23.392 1.00 0.00 C ATOM 1195 C ARG A 74 63.709 36.923 21.923 1.00 0.00 C ATOM 1196 O ARG A 74 64.754 36.350 21.623 1.00 0.00 O ATOM 1197 CB ARG A 74 62.668 35.860 23.947 1.00 0.00 C ATOM 1198 CG ARG A 74 62.212 35.930 25.401 1.00 0.00 C ATOM 1199 CD ARG A 74 63.333 36.104 26.423 1.00 0.00 C ATOM 1200 NE ARG A 74 64.093 34.871 26.626 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.966 33.990 27.628 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.060 34.113 28.606 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.763 32.913 27.666 1.00 0.00 N ATOM 0 H ARG A 74 61.541 38.037 23.903 1.00 0.00 H new ATOM 0 HA ARG A 74 64.261 37.302 23.929 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.803 35.625 23.327 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.367 35.030 23.846 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.513 36.759 25.507 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.663 35.018 25.638 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.007 36.893 26.090 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.909 36.428 27.373 1.00 0.00 H new ATOM 0 HE ARG A 74 64.801 34.657 25.924 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.422 34.908 28.613 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.008 33.411 29.344 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.460 32.768 26.936 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.672 32.238 28.425 1.00 0.00 H new ATOM 1217 N GLY A 75 62.894 37.421 20.997 1.00 0.00 N ATOM 1218 CA GLY A 75 63.108 37.374 19.565 1.00 0.00 C ATOM 1219 C GLY A 75 64.032 38.458 19.008 1.00 0.00 C ATOM 1220 O GLY A 75 64.593 38.267 17.930 1.00 0.00 O ATOM 0 H GLY A 75 62.023 37.891 21.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.522 36.399 19.308 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.142 37.452 19.067 1.00 0.00 H new ATOM 1224 N GLY A 76 64.210 39.557 19.733 1.00 0.00 N ATOM 1225 CA GLY A 76 65.029 40.698 19.374 1.00 0.00 C ATOM 1226 C GLY A 76 66.524 40.395 19.249 1.00 0.00 C ATOM 1227 O GLY A 76 67.071 39.683 20.117 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.131 40.886 18.273 1.00 0.00 O ATOM 0 H GLY A 76 63.758 39.677 20.639 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.673 41.100 18.426 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.891 41.478 20.123 1.00 0.00 H new TER 1232 GLY A 76