USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 60 ASN : amide:sc= 0.836 K(o=1.9,f=-0.43) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.04 K(o=1.9,f=-0.43) USER MOD Set 2.1: A 55 THR OG1 : rot -90:sc= 1.28 USER MOD Set 2.2: A 57 SER OG : rot -32:sc= 0.0058 USER MOD Set 3.1: A 22 THR OG1 : rot -47:sc= 0.318 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.803 K(o=1.1,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.2 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.079 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.794) USER MOD Single : A 31 GLN : amide:sc= -0.85 X(o=-0.85,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0291 (180deg=-0.22) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -159:sc= 1.39 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0.968 (180deg=0.811) USER MOD Single : A 65 SER OG : rot 68:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.008 51.484 19.650 1.00 0.00 N ATOM 2 CA MET A 1 33.208 51.857 21.059 1.00 0.00 C ATOM 3 C MET A 1 34.651 52.297 21.312 1.00 0.00 C ATOM 4 O MET A 1 35.583 51.801 20.683 1.00 0.00 O ATOM 5 CB MET A 1 32.795 50.765 22.042 1.00 0.00 C ATOM 6 CG MET A 1 33.610 49.478 21.943 1.00 0.00 C ATOM 7 SD MET A 1 33.330 48.315 23.303 1.00 0.00 S ATOM 8 CE MET A 1 34.509 47.025 22.832 1.00 0.00 C ATOM 0 H1 MET A 1 31.998 51.304 19.479 1.00 0.00 H new ATOM 0 H2 MET A 1 33.331 52.259 19.036 1.00 0.00 H new ATOM 0 H3 MET A 1 33.554 50.625 19.438 1.00 0.00 H new ATOM 0 HA MET A 1 32.543 52.701 21.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.880 51.156 23.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.744 50.527 21.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.373 48.983 21.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.669 49.734 21.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.475 46.217 23.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.248 46.635 21.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.514 47.445 22.801 1.00 0.00 H new ATOM 20 N GLN A 2 34.830 53.196 22.276 1.00 0.00 N ATOM 21 CA GLN A 2 36.119 53.680 22.726 1.00 0.00 C ATOM 22 C GLN A 2 36.720 52.767 23.796 1.00 0.00 C ATOM 23 O GLN A 2 36.012 52.330 24.700 1.00 0.00 O ATOM 24 CB GLN A 2 35.935 55.116 23.210 1.00 0.00 C ATOM 25 CG GLN A 2 37.218 55.787 23.691 1.00 0.00 C ATOM 26 CD GLN A 2 37.051 57.308 23.696 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.776 57.935 24.717 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.137 57.946 22.533 1.00 0.00 N ATOM 0 H GLN A 2 34.050 53.619 22.779 1.00 0.00 H new ATOM 0 HA GLN A 2 36.837 53.669 21.906 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.511 55.709 22.399 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.209 55.123 24.023 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.465 55.438 24.694 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.048 55.507 23.042 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.365 57.429 21.684 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.975 58.952 22.490 1.00 0.00 H new ATOM 37 N ILE A 3 38.027 52.527 23.721 1.00 0.00 N ATOM 38 CA ILE A 3 38.807 51.829 24.723 1.00 0.00 C ATOM 39 C ILE A 3 40.158 52.516 24.935 1.00 0.00 C ATOM 40 O ILE A 3 40.591 53.310 24.103 1.00 0.00 O ATOM 41 CB ILE A 3 38.992 50.352 24.388 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.744 50.131 23.079 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.657 49.611 24.402 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.243 48.703 22.877 1.00 0.00 C ATOM 0 H ILE A 3 38.589 52.829 22.925 1.00 0.00 H new ATOM 0 HA ILE A 3 38.245 51.874 25.656 1.00 0.00 H new ATOM 0 HB ILE A 3 39.619 49.930 25.173 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.090 50.396 22.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.596 50.810 23.043 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.821 48.561 24.160 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.208 49.689 25.392 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.988 50.053 23.664 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.766 48.632 21.923 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.924 48.438 23.685 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.395 48.018 22.878 1.00 0.00 H new ATOM 56 N PHE A 4 40.853 52.171 26.014 1.00 0.00 N ATOM 57 CA PHE A 4 42.167 52.691 26.334 1.00 0.00 C ATOM 58 C PHE A 4 43.231 51.592 26.356 1.00 0.00 C ATOM 59 O PHE A 4 42.983 50.482 26.824 1.00 0.00 O ATOM 60 CB PHE A 4 42.122 53.440 27.662 1.00 0.00 C ATOM 61 CG PHE A 4 41.041 54.491 27.762 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.132 55.668 27.010 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.957 54.303 28.628 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.143 56.654 27.118 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.972 55.291 28.744 1.00 0.00 C ATOM 66 CZ PHE A 4 39.061 56.465 27.987 1.00 0.00 C ATOM 0 H PHE A 4 40.505 51.505 26.704 1.00 0.00 H new ATOM 0 HA PHE A 4 42.453 53.387 25.545 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.982 52.717 28.466 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.088 53.916 27.827 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.969 55.817 26.343 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.881 53.395 29.207 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.215 57.558 26.532 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.141 55.147 29.419 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.297 57.223 28.073 1.00 0.00 H new ATOM 76 N VAL A 5 44.431 51.908 25.879 1.00 0.00 N ATOM 77 CA VAL A 5 45.582 51.029 25.911 1.00 0.00 C ATOM 78 C VAL A 5 46.702 51.687 26.720 1.00 0.00 C ATOM 79 O VAL A 5 47.143 52.786 26.392 1.00 0.00 O ATOM 80 CB VAL A 5 46.044 50.633 24.511 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.263 49.716 24.552 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.936 49.918 23.740 1.00 0.00 C ATOM 0 H VAL A 5 44.629 52.811 25.448 1.00 0.00 H new ATOM 0 HA VAL A 5 45.295 50.099 26.402 1.00 0.00 H new ATOM 0 HB VAL A 5 46.307 51.563 24.007 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.559 49.458 23.535 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.086 50.227 25.051 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.016 48.806 25.099 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.298 49.650 22.747 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.644 49.015 24.276 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.074 50.578 23.646 1.00 0.00 H new ATOM 92 N LYS A 6 47.165 50.997 27.758 1.00 0.00 N ATOM 93 CA LYS A 6 48.319 51.340 28.564 1.00 0.00 C ATOM 94 C LYS A 6 49.555 50.665 27.967 1.00 0.00 C ATOM 95 O LYS A 6 49.574 49.447 27.807 1.00 0.00 O ATOM 96 CB LYS A 6 48.033 50.911 30.001 1.00 0.00 C ATOM 97 CG LYS A 6 49.103 51.301 31.016 1.00 0.00 C ATOM 98 CD LYS A 6 49.113 52.783 31.381 1.00 0.00 C ATOM 99 CE LYS A 6 50.133 53.029 32.490 1.00 0.00 C ATOM 100 NZ LYS A 6 50.123 54.429 32.940 1.00 0.00 N ATOM 0 H LYS A 6 46.716 50.137 28.072 1.00 0.00 H new ATOM 0 HA LYS A 6 48.516 52.412 28.570 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.083 51.346 30.312 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.910 49.828 30.023 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.956 50.716 31.924 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.081 51.030 30.618 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.361 53.382 30.505 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.121 53.094 31.709 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.917 52.374 33.334 1.00 0.00 H new ATOM 0 HE3 LYS A 6 51.129 52.769 32.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.829 54.557 33.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.354 55.052 32.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.179 54.669 33.305 1.00 0.00 H new ATOM 168 N LYS A 11 52.662 55.077 28.864 1.00 0.00 N ATOM 169 CA LYS A 11 51.732 56.002 28.248 1.00 0.00 C ATOM 170 C LYS A 11 50.324 55.409 28.184 1.00 0.00 C ATOM 171 O LYS A 11 50.178 54.188 28.198 1.00 0.00 O ATOM 172 CB LYS A 11 52.198 56.391 26.848 1.00 0.00 C ATOM 173 CG LYS A 11 53.586 57.025 26.818 1.00 0.00 C ATOM 174 CD LYS A 11 53.948 57.400 25.383 1.00 0.00 C ATOM 175 CE LYS A 11 55.308 58.092 25.344 1.00 0.00 C ATOM 176 NZ LYS A 11 55.620 58.586 23.994 1.00 0.00 N ATOM 0 HA LYS A 11 51.701 56.898 28.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.200 55.503 26.215 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.480 57.088 26.416 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.605 57.911 27.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.323 56.330 27.220 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.969 56.506 24.760 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.185 58.059 24.968 1.00 0.00 H new ATOM 0 HE2 LYS A 11 55.315 58.924 26.048 1.00 0.00 H new ATOM 0 HE3 LYS A 11 56.082 57.395 25.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.550 59.051 24.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.637 57.788 23.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.894 59.269 23.698 1.00 0.00 H new ATOM 190 N THR A 12 49.299 56.245 28.045 1.00 0.00 N ATOM 191 CA THR A 12 47.964 55.820 27.675 1.00 0.00 C ATOM 192 C THR A 12 47.568 56.417 26.324 1.00 0.00 C ATOM 193 O THR A 12 47.821 57.594 26.076 1.00 0.00 O ATOM 194 CB THR A 12 46.938 56.134 28.760 1.00 0.00 C ATOM 195 OG1 THR A 12 47.312 55.490 29.957 1.00 0.00 O ATOM 196 CG2 THR A 12 45.547 55.594 28.440 1.00 0.00 C ATOM 0 H THR A 12 49.380 57.251 28.190 1.00 0.00 H new ATOM 0 HA THR A 12 47.976 54.735 27.574 1.00 0.00 H new ATOM 0 HB THR A 12 46.910 57.221 28.837 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.655 55.692 30.656 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.863 55.849 29.249 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.190 56.036 27.510 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.593 54.510 28.332 1.00 0.00 H new ATOM 204 N ILE A 13 46.961 55.605 25.462 1.00 0.00 N ATOM 205 CA ILE A 13 46.436 55.969 24.161 1.00 0.00 C ATOM 206 C ILE A 13 44.983 55.516 24.002 1.00 0.00 C ATOM 207 O ILE A 13 44.562 54.546 24.629 1.00 0.00 O ATOM 208 CB ILE A 13 47.322 55.463 23.027 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.473 53.945 23.021 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.670 56.176 23.076 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.295 53.383 21.864 1.00 0.00 C ATOM 0 H ILE A 13 46.817 54.617 25.672 1.00 0.00 H new ATOM 0 HA ILE A 13 46.444 57.057 24.099 1.00 0.00 H new ATOM 0 HB ILE A 13 46.831 55.703 22.084 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.936 53.637 23.959 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.480 53.496 22.993 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.303 55.814 22.266 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.518 57.250 22.966 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.154 55.974 24.032 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.345 52.297 21.947 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.825 53.653 20.919 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.303 53.796 21.899 1.00 0.00 H new ATOM 223 N THR A 14 44.221 56.194 23.150 1.00 0.00 N ATOM 224 CA THR A 14 42.787 56.031 23.020 1.00 0.00 C ATOM 225 C THR A 14 42.407 55.454 21.655 1.00 0.00 C ATOM 226 O THR A 14 42.730 56.026 20.616 1.00 0.00 O ATOM 227 CB THR A 14 42.085 57.359 23.290 1.00 0.00 C ATOM 228 OG1 THR A 14 42.465 57.841 24.559 1.00 0.00 O ATOM 229 CG2 THR A 14 40.564 57.228 23.314 1.00 0.00 C ATOM 0 H THR A 14 44.602 56.893 22.513 1.00 0.00 H new ATOM 0 HA THR A 14 42.452 55.310 23.765 1.00 0.00 H new ATOM 0 HB THR A 14 42.376 58.030 22.482 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.914 57.416 25.249 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.118 58.203 23.510 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.216 56.857 22.350 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.271 56.531 24.099 1.00 0.00 H new ATOM 237 N LEU A 15 41.745 54.301 21.648 1.00 0.00 N ATOM 238 CA LEU A 15 41.413 53.534 20.465 1.00 0.00 C ATOM 239 C LEU A 15 39.906 53.431 20.230 1.00 0.00 C ATOM 240 O LEU A 15 39.104 53.671 21.129 1.00 0.00 O ATOM 241 CB LEU A 15 42.077 52.160 20.527 1.00 0.00 C ATOM 242 CG LEU A 15 43.512 52.114 20.012 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.533 52.734 20.962 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.931 50.666 19.766 1.00 0.00 C ATOM 0 H LEU A 15 41.414 53.862 22.507 1.00 0.00 H new ATOM 0 HA LEU A 15 41.808 54.070 19.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.067 51.814 21.561 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.477 51.457 19.950 1.00 0.00 H new ATOM 0 HG LEU A 15 43.509 52.702 19.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.528 52.662 20.524 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.285 53.782 21.129 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.516 52.201 21.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.957 50.642 19.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.866 50.105 20.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.269 50.217 19.025 1.00 0.00 H new ATOM 256 N GLU A 16 39.507 53.059 19.017 1.00 0.00 N ATOM 257 CA GLU A 16 38.138 52.787 18.622 1.00 0.00 C ATOM 258 C GLU A 16 38.030 51.395 17.998 1.00 0.00 C ATOM 259 O GLU A 16 38.767 51.072 17.068 1.00 0.00 O ATOM 260 CB GLU A 16 37.664 53.863 17.650 1.00 0.00 C ATOM 261 CG GLU A 16 36.164 53.838 17.376 1.00 0.00 C ATOM 262 CD GLU A 16 35.307 54.373 18.525 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.709 55.359 19.181 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.172 53.879 18.705 1.00 0.00 O ATOM 0 H GLU A 16 40.166 52.934 18.249 1.00 0.00 H new ATOM 0 HA GLU A 16 37.497 52.807 19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.933 54.841 18.048 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.197 53.745 16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.960 54.426 16.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.863 52.813 17.160 1.00 0.00 H new ATOM 271 N VAL A 17 37.120 50.563 18.496 1.00 0.00 N ATOM 272 CA VAL A 17 36.929 49.180 18.108 1.00 0.00 C ATOM 273 C VAL A 17 35.447 48.796 18.120 1.00 0.00 C ATOM 274 O VAL A 17 34.673 49.385 18.871 1.00 0.00 O ATOM 275 CB VAL A 17 37.694 48.236 19.033 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.206 48.424 18.947 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.279 48.364 20.496 1.00 0.00 C ATOM 0 H VAL A 17 36.464 50.857 19.219 1.00 0.00 H new ATOM 0 HA VAL A 17 37.315 49.082 17.093 1.00 0.00 H new ATOM 0 HB VAL A 17 37.431 47.240 18.675 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.698 47.727 19.625 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.539 48.233 17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.462 49.446 19.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.859 47.667 21.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.463 49.382 20.839 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.218 48.134 20.595 1.00 0.00 H new ATOM 287 N GLU A 18 35.044 47.790 17.350 1.00 0.00 N ATOM 288 CA GLU A 18 33.739 47.172 17.465 1.00 0.00 C ATOM 289 C GLU A 18 33.830 45.910 18.327 1.00 0.00 C ATOM 290 O GLU A 18 34.815 45.186 18.194 1.00 0.00 O ATOM 291 CB GLU A 18 33.199 46.868 16.071 1.00 0.00 C ATOM 292 CG GLU A 18 31.679 46.747 16.001 1.00 0.00 C ATOM 293 CD GLU A 18 30.989 48.089 16.252 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.098 49.006 15.410 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.330 48.274 17.298 1.00 0.00 O ATOM 0 H GLU A 18 35.627 47.380 16.620 1.00 0.00 H new ATOM 0 HA GLU A 18 33.046 47.854 17.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.521 47.655 15.389 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.643 45.938 15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.390 46.367 15.021 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.338 46.020 16.738 1.00 0.00 H new ATOM 302 N PRO A 19 32.862 45.565 19.171 1.00 0.00 N ATOM 303 CA PRO A 19 32.948 44.385 20.009 1.00 0.00 C ATOM 304 C PRO A 19 33.102 43.052 19.274 1.00 0.00 C ATOM 305 O PRO A 19 33.555 42.079 19.871 1.00 0.00 O ATOM 306 CB PRO A 19 31.693 44.389 20.877 1.00 0.00 C ATOM 307 CG PRO A 19 31.315 45.866 20.953 1.00 0.00 C ATOM 308 CD PRO A 19 31.729 46.373 19.573 1.00 0.00 C ATOM 0 HA PRO A 19 33.870 44.450 20.587 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.896 43.793 20.432 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.888 43.973 21.866 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.249 46.005 21.136 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.846 46.382 21.753 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.910 46.277 18.861 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.997 47.429 19.610 1.00 0.00 H new ATOM 316 N SER A 20 32.751 42.983 17.993 1.00 0.00 N ATOM 317 CA SER A 20 32.932 41.827 17.139 1.00 0.00 C ATOM 318 C SER A 20 34.285 41.760 16.427 1.00 0.00 C ATOM 319 O SER A 20 34.547 40.782 15.729 1.00 0.00 O ATOM 320 CB SER A 20 31.782 41.745 16.140 1.00 0.00 C ATOM 321 OG SER A 20 31.614 42.967 15.459 1.00 0.00 O ATOM 0 H SER A 20 32.315 43.767 17.507 1.00 0.00 H new ATOM 0 HA SER A 20 32.925 40.958 17.797 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.976 40.948 15.422 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.861 41.486 16.662 1.00 0.00 H new ATOM 0 HG SER A 20 30.872 42.888 14.823 1.00 0.00 H new ATOM 327 N ASP A 21 35.164 42.745 16.589 1.00 0.00 N ATOM 328 CA ASP A 21 36.533 42.684 16.117 1.00 0.00 C ATOM 329 C ASP A 21 37.395 41.819 17.036 1.00 0.00 C ATOM 330 O ASP A 21 37.039 41.606 18.194 1.00 0.00 O ATOM 331 CB ASP A 21 37.087 44.098 15.964 1.00 0.00 C ATOM 332 CG ASP A 21 36.335 44.980 14.967 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.763 44.468 13.980 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.374 46.220 15.128 1.00 0.00 O ATOM 0 H ASP A 21 34.935 43.620 17.061 1.00 0.00 H new ATOM 0 HA ASP A 21 36.554 42.207 15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.074 44.585 16.939 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.130 44.032 15.654 1.00 0.00 H new ATOM 339 N THR A 22 38.528 41.299 16.572 1.00 0.00 N ATOM 340 CA THR A 22 39.386 40.416 17.334 1.00 0.00 C ATOM 341 C THR A 22 40.645 41.085 17.887 1.00 0.00 C ATOM 342 O THR A 22 40.971 42.227 17.571 1.00 0.00 O ATOM 343 CB THR A 22 39.769 39.153 16.569 1.00 0.00 C ATOM 344 OG1 THR A 22 40.686 39.429 15.535 1.00 0.00 O ATOM 345 CG2 THR A 22 38.578 38.384 16.004 1.00 0.00 C ATOM 0 H THR A 22 38.877 41.489 15.633 1.00 0.00 H new ATOM 0 HA THR A 22 38.769 40.135 18.187 1.00 0.00 H new ATOM 0 HB THR A 22 40.240 38.511 17.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.374 40.201 15.018 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.934 37.500 15.475 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.922 38.079 16.819 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.027 39.023 15.314 1.00 0.00 H new ATOM 353 N ILE A 23 41.395 40.334 18.689 1.00 0.00 N ATOM 354 CA ILE A 23 42.709 40.700 19.177 1.00 0.00 C ATOM 355 C ILE A 23 43.637 41.150 18.047 1.00 0.00 C ATOM 356 O ILE A 23 44.371 42.122 18.208 1.00 0.00 O ATOM 357 CB ILE A 23 43.312 39.536 19.960 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.436 39.067 21.119 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.719 39.837 20.468 1.00 0.00 C ATOM 360 CD1 ILE A 23 42.014 40.152 22.106 1.00 0.00 C ATOM 0 H ILE A 23 41.087 39.422 19.026 1.00 0.00 H new ATOM 0 HA ILE A 23 42.597 41.555 19.844 1.00 0.00 H new ATOM 0 HB ILE A 23 43.370 38.722 19.237 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.538 38.605 20.709 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.972 38.292 21.666 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.099 38.976 21.017 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.374 40.046 19.622 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.690 40.704 21.128 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.396 39.712 22.888 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.900 40.601 22.554 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.444 40.919 21.582 1.00 0.00 H new ATOM 372 N GLU A 24 43.573 40.524 16.875 1.00 0.00 N ATOM 373 CA GLU A 24 44.400 40.870 15.737 1.00 0.00 C ATOM 374 C GLU A 24 44.031 42.222 15.121 1.00 0.00 C ATOM 375 O GLU A 24 44.916 42.945 14.670 1.00 0.00 O ATOM 376 CB GLU A 24 44.334 39.757 14.694 1.00 0.00 C ATOM 377 CG GLU A 24 44.903 38.446 15.232 1.00 0.00 C ATOM 378 CD GLU A 24 45.062 37.413 14.115 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.185 37.281 13.583 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.061 36.746 13.774 1.00 0.00 O ATOM 0 H GLU A 24 42.933 39.751 16.693 1.00 0.00 H new ATOM 0 HA GLU A 24 45.424 40.971 16.096 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.299 39.606 14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.889 40.057 13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.870 38.631 15.700 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.245 38.051 16.006 1.00 0.00 H new ATOM 387 N ASN A 25 42.756 42.601 15.167 1.00 0.00 N ATOM 388 CA ASN A 25 42.289 43.895 14.714 1.00 0.00 C ATOM 389 C ASN A 25 42.756 45.024 15.635 1.00 0.00 C ATOM 390 O ASN A 25 43.324 46.008 15.166 1.00 0.00 O ATOM 391 CB ASN A 25 40.768 43.863 14.589 1.00 0.00 C ATOM 392 CG ASN A 25 40.274 42.866 13.539 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.724 41.815 13.862 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.467 43.156 12.256 1.00 0.00 N ATOM 0 H ASN A 25 42.012 42.003 15.527 1.00 0.00 H new ATOM 0 HA ASN A 25 42.722 44.102 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.335 43.608 15.556 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.409 44.860 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.158 42.505 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.924 44.029 11.994 1.00 0.00 H new ATOM 401 N VAL A 26 42.602 44.876 16.948 1.00 0.00 N ATOM 402 CA VAL A 26 43.087 45.868 17.886 1.00 0.00 C ATOM 403 C VAL A 26 44.615 45.944 17.911 1.00 0.00 C ATOM 404 O VAL A 26 45.149 47.050 17.943 1.00 0.00 O ATOM 405 CB VAL A 26 42.443 45.732 19.263 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.739 44.407 19.959 1.00 0.00 C ATOM 407 CG2 VAL A 26 42.828 46.877 20.194 1.00 0.00 C ATOM 0 H VAL A 26 42.143 44.075 17.381 1.00 0.00 H new ATOM 0 HA VAL A 26 42.762 46.842 17.521 1.00 0.00 H new ATOM 0 HB VAL A 26 41.373 45.767 19.060 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.246 44.389 20.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 42.368 43.584 19.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.815 44.300 20.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 42.346 46.737 21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 26 43.910 46.890 20.326 1.00 0.00 H new ATOM 0 HG23 VAL A 26 42.504 47.823 19.761 1.00 0.00 H new ATOM 417 N LYS A 27 45.335 44.836 17.756 1.00 0.00 N ATOM 418 CA LYS A 27 46.768 44.847 17.542 1.00 0.00 C ATOM 419 C LYS A 27 47.162 45.650 16.300 1.00 0.00 C ATOM 420 O LYS A 27 48.122 46.415 16.360 1.00 0.00 O ATOM 421 CB LYS A 27 47.317 43.428 17.427 1.00 0.00 C ATOM 422 CG LYS A 27 47.491 42.681 18.746 1.00 0.00 C ATOM 423 CD LYS A 27 47.886 41.235 18.460 1.00 0.00 C ATOM 424 CE LYS A 27 48.285 40.479 19.725 1.00 0.00 C ATOM 425 NZ LYS A 27 48.575 39.074 19.403 1.00 0.00 N ATOM 0 H LYS A 27 44.931 43.900 17.777 1.00 0.00 H new ATOM 0 HA LYS A 27 47.206 45.334 18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.650 42.850 16.788 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.283 43.471 16.924 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.256 43.165 19.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.564 42.710 19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.052 40.722 17.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.717 41.221 17.754 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.161 40.945 20.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.481 40.534 20.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.562 38.508 20.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.855 38.713 18.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.514 39.006 18.960 1.00 0.00 H new ATOM 439 N ALA A 28 46.435 45.534 15.192 1.00 0.00 N ATOM 440 CA ALA A 28 46.701 46.304 13.994 1.00 0.00 C ATOM 441 C ALA A 28 46.438 47.801 14.174 1.00 0.00 C ATOM 442 O ALA A 28 47.170 48.617 13.619 1.00 0.00 O ATOM 443 CB ALA A 28 45.896 45.716 12.839 1.00 0.00 C ATOM 0 H ALA A 28 45.642 44.898 15.106 1.00 0.00 H new ATOM 0 HA ALA A 28 47.765 46.230 13.768 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.089 46.289 11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.190 44.678 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.833 45.760 13.077 1.00 0.00 H new ATOM 449 N LYS A 29 45.477 48.186 15.009 1.00 0.00 N ATOM 450 CA LYS A 29 45.230 49.563 15.386 1.00 0.00 C ATOM 451 C LYS A 29 46.261 50.123 16.367 1.00 0.00 C ATOM 452 O LYS A 29 46.580 51.308 16.303 1.00 0.00 O ATOM 453 CB LYS A 29 43.804 49.688 15.914 1.00 0.00 C ATOM 454 CG LYS A 29 42.792 49.660 14.773 1.00 0.00 C ATOM 455 CD LYS A 29 41.357 49.744 15.283 1.00 0.00 C ATOM 456 CE LYS A 29 40.406 49.906 14.101 1.00 0.00 C ATOM 457 NZ LYS A 29 39.005 49.937 14.549 1.00 0.00 N ATOM 0 H LYS A 29 44.835 47.527 15.450 1.00 0.00 H new ATOM 0 HA LYS A 29 45.340 50.179 14.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.597 48.873 16.608 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.700 50.618 16.474 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.986 50.492 14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.920 48.743 14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.106 48.844 15.845 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.251 50.586 15.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.640 50.826 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.549 49.084 13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.494 50.685 14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.558 49.018 14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.971 50.130 15.570 1.00 0.00 H new ATOM 471 N ILE A 30 46.839 49.293 17.232 1.00 0.00 N ATOM 472 CA ILE A 30 48.002 49.630 18.029 1.00 0.00 C ATOM 473 C ILE A 30 49.229 49.807 17.132 1.00 0.00 C ATOM 474 O ILE A 30 50.003 50.736 17.346 1.00 0.00 O ATOM 475 CB ILE A 30 48.213 48.610 19.145 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.080 48.681 20.164 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.552 48.809 19.848 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.017 47.491 21.117 1.00 0.00 C ATOM 0 H ILE A 30 46.499 48.346 17.398 1.00 0.00 H new ATOM 0 HA ILE A 30 47.834 50.587 18.523 1.00 0.00 H new ATOM 0 HB ILE A 30 48.217 47.624 18.681 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.190 49.594 20.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.132 48.755 19.631 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.664 48.064 20.635 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.362 48.699 19.127 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.589 49.807 20.285 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.184 47.622 21.808 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.874 46.574 20.545 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.948 47.426 21.680 1.00 0.00 H new ATOM 490 N GLN A 31 49.396 49.002 16.087 1.00 0.00 N ATOM 491 CA GLN A 31 50.451 49.172 15.107 1.00 0.00 C ATOM 492 C GLN A 31 50.307 50.487 14.339 1.00 0.00 C ATOM 493 O GLN A 31 51.307 51.162 14.109 1.00 0.00 O ATOM 494 CB GLN A 31 50.490 47.970 14.167 1.00 0.00 C ATOM 495 CG GLN A 31 51.731 47.941 13.279 1.00 0.00 C ATOM 496 CD GLN A 31 51.798 46.707 12.377 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.790 46.092 12.037 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.991 46.288 11.967 1.00 0.00 N ATOM 0 H GLN A 31 48.791 48.203 15.899 1.00 0.00 H new ATOM 0 HA GLN A 31 51.403 49.226 15.635 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.452 47.054 14.757 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.601 47.981 13.537 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.747 48.837 12.659 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.621 47.972 13.908 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.832 46.793 12.245 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.065 45.461 11.374 1.00 0.00 H new ATOM 507 N ASP A 32 49.089 50.897 13.996 1.00 0.00 N ATOM 508 CA ASP A 32 48.821 52.167 13.350 1.00 0.00 C ATOM 509 C ASP A 32 49.273 53.370 14.179 1.00 0.00 C ATOM 510 O ASP A 32 49.850 54.308 13.632 1.00 0.00 O ATOM 511 CB ASP A 32 47.330 52.267 13.043 1.00 0.00 C ATOM 512 CG ASP A 32 47.003 53.510 12.212 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.343 53.531 11.010 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.405 54.463 12.757 1.00 0.00 O ATOM 0 H ASP A 32 48.250 50.342 14.165 1.00 0.00 H new ATOM 0 HA ASP A 32 49.403 52.195 12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.009 51.375 12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.768 52.296 13.976 1.00 0.00 H new ATOM 519 N LYS A 33 49.056 53.344 15.491 1.00 0.00 N ATOM 520 CA LYS A 33 49.494 54.395 16.386 1.00 0.00 C ATOM 521 C LYS A 33 50.980 54.321 16.747 1.00 0.00 C ATOM 522 O LYS A 33 51.688 55.306 16.552 1.00 0.00 O ATOM 523 CB LYS A 33 48.610 54.466 17.628 1.00 0.00 C ATOM 524 CG LYS A 33 47.337 55.250 17.321 1.00 0.00 C ATOM 525 CD LYS A 33 46.483 55.462 18.568 1.00 0.00 C ATOM 526 CE LYS A 33 45.249 56.316 18.291 1.00 0.00 C ATOM 527 NZ LYS A 33 45.595 57.666 17.823 1.00 0.00 N ATOM 0 H LYS A 33 48.566 52.583 15.961 1.00 0.00 H new ATOM 0 HA LYS A 33 49.380 55.327 15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.355 53.460 17.961 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.153 54.944 18.444 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.601 56.217 16.893 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.755 54.717 16.569 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.171 54.494 18.960 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.086 55.939 19.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.630 55.822 17.542 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.651 56.391 19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.751 58.273 17.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.335 58.066 18.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.944 57.615 16.844 1.00 0.00 H new ATOM 541 N GLU A 34 51.465 53.186 17.242 1.00 0.00 N ATOM 542 CA GLU A 34 52.755 53.093 17.896 1.00 0.00 C ATOM 543 C GLU A 34 53.842 52.395 17.077 1.00 0.00 C ATOM 544 O GLU A 34 55.012 52.477 17.443 1.00 0.00 O ATOM 545 CB GLU A 34 52.586 52.446 19.268 1.00 0.00 C ATOM 546 CG GLU A 34 51.684 53.217 20.226 1.00 0.00 C ATOM 547 CD GLU A 34 52.214 54.618 20.537 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.074 54.767 21.431 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.814 55.588 19.857 1.00 0.00 O ATOM 0 H GLU A 34 50.964 52.299 17.197 1.00 0.00 H new ATOM 0 HA GLU A 34 53.118 54.115 18.006 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.180 51.443 19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.569 52.334 19.726 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.687 53.298 19.794 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.584 52.656 21.155 1.00 0.00 H new ATOM 556 N GLY A 35 53.501 51.725 15.980 1.00 0.00 N ATOM 557 CA GLY A 35 54.443 51.064 15.099 1.00 0.00 C ATOM 558 C GLY A 35 54.965 49.707 15.574 1.00 0.00 C ATOM 559 O GLY A 35 55.945 49.203 15.028 1.00 0.00 O ATOM 0 H GLY A 35 52.532 51.628 15.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.968 50.929 14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.295 51.726 14.948 1.00 0.00 H new ATOM 563 N ILE A 36 54.329 49.104 16.573 1.00 0.00 N ATOM 564 CA ILE A 36 54.745 47.862 17.195 1.00 0.00 C ATOM 565 C ILE A 36 54.095 46.691 16.456 1.00 0.00 C ATOM 566 O ILE A 36 52.868 46.662 16.397 1.00 0.00 O ATOM 567 CB ILE A 36 54.403 47.870 18.682 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.024 49.061 19.405 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.873 46.574 19.338 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.452 49.316 20.796 1.00 0.00 C ATOM 0 H ILE A 36 53.477 49.486 16.984 1.00 0.00 H new ATOM 0 HA ILE A 36 55.827 47.751 17.123 1.00 0.00 H new ATOM 0 HB ILE A 36 53.319 47.955 18.764 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.099 48.900 19.490 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.883 49.955 18.797 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.623 46.592 20.399 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.379 45.726 18.863 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.952 46.478 19.221 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.947 50.179 21.241 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.382 49.511 20.719 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.617 48.440 21.423 1.00 0.00 H new ATOM 582 N PRO A 37 54.823 45.717 15.917 1.00 0.00 N ATOM 583 CA PRO A 37 54.234 44.640 15.146 1.00 0.00 C ATOM 584 C PRO A 37 53.314 43.704 15.931 1.00 0.00 C ATOM 585 O PRO A 37 53.689 43.273 17.019 1.00 0.00 O ATOM 586 CB PRO A 37 55.404 43.875 14.532 1.00 0.00 C ATOM 587 CG PRO A 37 56.487 44.945 14.428 1.00 0.00 C ATOM 588 CD PRO A 37 56.259 45.718 15.723 1.00 0.00 C ATOM 0 HA PRO A 37 53.569 45.071 14.397 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.717 43.042 15.161 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.149 43.460 13.557 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.487 44.515 14.375 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.363 45.573 13.546 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.770 45.243 16.560 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.646 46.734 15.648 1.00 0.00 H new ATOM 596 N PRO A 38 52.147 43.328 15.416 1.00 0.00 N ATOM 597 CA PRO A 38 51.219 42.407 16.043 1.00 0.00 C ATOM 598 C PRO A 38 51.793 41.051 16.459 1.00 0.00 C ATOM 599 O PRO A 38 51.344 40.485 17.454 1.00 0.00 O ATOM 600 CB PRO A 38 50.103 42.197 15.024 1.00 0.00 C ATOM 601 CG PRO A 38 50.030 43.553 14.330 1.00 0.00 C ATOM 602 CD PRO A 38 51.502 43.951 14.278 1.00 0.00 C ATOM 0 HA PRO A 38 50.896 42.849 16.986 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.338 41.395 14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.160 41.935 15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.590 43.481 13.336 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.431 44.269 14.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.959 43.619 13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.611 45.035 14.318 1.00 0.00 H new ATOM 610 N ASP A 39 52.805 40.544 15.761 1.00 0.00 N ATOM 611 CA ASP A 39 53.471 39.313 16.136 1.00 0.00 C ATOM 612 C ASP A 39 54.373 39.449 17.364 1.00 0.00 C ATOM 613 O ASP A 39 54.727 38.434 17.961 1.00 0.00 O ATOM 614 CB ASP A 39 54.246 38.728 14.958 1.00 0.00 C ATOM 615 CG ASP A 39 55.579 39.430 14.693 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.551 40.634 14.356 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.645 38.786 14.806 1.00 0.00 O ATOM 0 H ASP A 39 53.182 40.980 14.920 1.00 0.00 H new ATOM 0 HA ASP A 39 52.677 38.622 16.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.433 37.671 15.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.629 38.788 14.062 1.00 0.00 H new ATOM 622 N GLN A 40 54.719 40.668 17.768 1.00 0.00 N ATOM 623 CA GLN A 40 55.464 40.972 18.974 1.00 0.00 C ATOM 624 C GLN A 40 54.570 41.467 20.112 1.00 0.00 C ATOM 625 O GLN A 40 54.896 41.225 21.271 1.00 0.00 O ATOM 626 CB GLN A 40 56.555 41.994 18.667 1.00 0.00 C ATOM 627 CG GLN A 40 57.651 41.477 17.741 1.00 0.00 C ATOM 628 CD GLN A 40 58.650 42.585 17.401 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.661 43.134 16.301 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.505 42.981 18.340 1.00 0.00 N ATOM 0 H GLN A 40 54.474 41.504 17.237 1.00 0.00 H new ATOM 0 HA GLN A 40 55.919 40.043 19.317 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.097 42.873 18.214 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.009 42.317 19.604 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.172 40.646 18.217 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.205 41.091 16.824 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.502 42.531 19.255 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.163 43.735 18.145 1.00 0.00 H new ATOM 639 N GLN A 41 53.449 42.124 19.827 1.00 0.00 N ATOM 640 CA GLN A 41 52.505 42.565 20.834 1.00 0.00 C ATOM 641 C GLN A 41 51.854 41.381 21.552 1.00 0.00 C ATOM 642 O GLN A 41 51.414 40.445 20.890 1.00 0.00 O ATOM 643 CB GLN A 41 51.375 43.376 20.209 1.00 0.00 C ATOM 644 CG GLN A 41 51.745 44.706 19.557 1.00 0.00 C ATOM 645 CD GLN A 41 50.496 45.398 19.005 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.435 45.420 19.624 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.548 45.965 17.803 1.00 0.00 N ATOM 0 H GLN A 41 53.173 42.365 18.875 1.00 0.00 H new ATOM 0 HA GLN A 41 53.076 43.170 21.538 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.890 42.755 19.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.634 43.575 20.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.233 45.352 20.287 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.460 44.537 18.752 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.419 45.958 17.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.717 46.407 17.411 1.00 0.00 H new ATOM 656 N ARG A 42 51.635 41.472 22.861 1.00 0.00 N ATOM 657 CA ARG A 42 50.604 40.722 23.551 1.00 0.00 C ATOM 658 C ARG A 42 49.782 41.642 24.455 1.00 0.00 C ATOM 659 O ARG A 42 50.326 42.586 25.023 1.00 0.00 O ATOM 660 CB ARG A 42 51.168 39.532 24.322 1.00 0.00 C ATOM 661 CG ARG A 42 51.641 38.422 23.388 1.00 0.00 C ATOM 662 CD ARG A 42 51.920 37.113 24.122 1.00 0.00 C ATOM 663 NE ARG A 42 53.093 37.178 24.993 1.00 0.00 N ATOM 664 CZ ARG A 42 53.756 36.119 25.477 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.407 34.862 25.174 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.815 36.292 26.279 1.00 0.00 N ATOM 0 H ARG A 42 52.179 42.078 23.475 1.00 0.00 H new ATOM 0 HA ARG A 42 49.940 40.308 22.793 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.000 39.863 24.943 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.405 39.140 24.994 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.885 38.250 22.622 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.546 38.746 22.875 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.048 36.845 24.718 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.062 36.317 23.391 1.00 0.00 H new ATOM 0 HE ARG A 42 53.434 38.104 25.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.614 34.688 24.557 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.934 34.079 25.560 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.121 37.234 26.524 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.316 35.482 26.644 1.00 0.00 H new ATOM 680 N LEU A 43 48.484 41.370 24.565 1.00 0.00 N ATOM 681 CA LEU A 43 47.541 42.188 25.300 1.00 0.00 C ATOM 682 C LEU A 43 47.051 41.487 26.569 1.00 0.00 C ATOM 683 O LEU A 43 46.717 40.305 26.536 1.00 0.00 O ATOM 684 CB LEU A 43 46.393 42.617 24.391 1.00 0.00 C ATOM 685 CG LEU A 43 46.796 43.333 23.104 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.548 43.763 22.339 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.646 44.578 23.340 1.00 0.00 C ATOM 0 H LEU A 43 48.055 40.552 24.132 1.00 0.00 H new ATOM 0 HA LEU A 43 48.054 43.090 25.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.814 41.732 24.126 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.732 43.273 24.957 1.00 0.00 H new ATOM 0 HG LEU A 43 47.393 42.617 22.539 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.841 44.273 21.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.953 42.884 22.091 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.957 44.439 22.957 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.895 45.035 22.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.088 45.290 23.948 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.563 44.299 23.859 1.00 0.00 H new ATOM 699 N ILE A 44 46.998 42.224 27.674 1.00 0.00 N ATOM 700 CA ILE A 44 46.550 41.756 28.971 1.00 0.00 C ATOM 701 C ILE A 44 45.355 42.603 29.415 1.00 0.00 C ATOM 702 O ILE A 44 45.445 43.828 29.452 1.00 0.00 O ATOM 703 CB ILE A 44 47.678 41.758 29.999 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.944 41.071 29.496 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.213 41.094 31.292 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.130 41.091 30.455 1.00 0.00 C ATOM 0 H ILE A 44 47.279 43.204 27.685 1.00 0.00 H new ATOM 0 HA ILE A 44 46.233 40.716 28.889 1.00 0.00 H new ATOM 0 HB ILE A 44 47.930 42.802 30.183 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.705 40.033 29.264 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.247 41.545 28.562 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.026 41.101 32.018 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.361 41.641 31.696 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.919 40.065 31.087 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.976 40.576 29.999 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.407 42.123 30.670 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.857 40.588 31.382 1.00 0.00 H new ATOM 718 N PHE A 45 44.237 41.964 29.747 1.00 0.00 N ATOM 719 CA PHE A 45 43.026 42.610 30.212 1.00 0.00 C ATOM 720 C PHE A 45 42.494 41.932 31.475 1.00 0.00 C ATOM 721 O PHE A 45 42.284 40.721 31.479 1.00 0.00 O ATOM 722 CB PHE A 45 41.984 42.606 29.096 1.00 0.00 C ATOM 723 CG PHE A 45 40.635 43.158 29.492 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.526 44.471 29.964 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.490 42.355 29.417 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.287 44.975 30.374 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.245 42.867 29.803 1.00 0.00 C ATOM 728 CZ PHE A 45 38.139 44.177 30.286 1.00 0.00 C ATOM 0 H PHE A 45 44.152 40.949 29.696 1.00 0.00 H new ATOM 0 HA PHE A 45 43.252 43.644 30.474 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.367 43.187 28.257 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.854 41.583 28.742 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.403 45.099 30.012 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.567 41.338 29.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.215 45.981 30.759 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.363 42.249 29.728 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.179 44.569 30.588 1.00 0.00 H new ATOM 738 N ALA A 46 42.280 42.712 32.530 1.00 0.00 N ATOM 739 CA ALA A 46 41.823 42.250 33.826 1.00 0.00 C ATOM 740 C ALA A 46 42.552 40.987 34.290 1.00 0.00 C ATOM 741 O ALA A 46 41.950 39.963 34.607 1.00 0.00 O ATOM 742 CB ALA A 46 40.298 42.187 33.814 1.00 0.00 C ATOM 0 H ALA A 46 42.427 43.721 32.499 1.00 0.00 H new ATOM 0 HA ALA A 46 42.093 42.963 34.605 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.941 41.841 34.784 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.894 43.179 33.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.968 41.496 33.038 1.00 0.00 H new ATOM 748 N GLY A 47 43.880 41.047 34.248 1.00 0.00 N ATOM 749 CA GLY A 47 44.809 40.014 34.659 1.00 0.00 C ATOM 750 C GLY A 47 45.049 38.873 33.669 1.00 0.00 C ATOM 751 O GLY A 47 46.029 38.150 33.840 1.00 0.00 O ATOM 0 H GLY A 47 44.362 41.877 33.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.768 40.485 34.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.448 39.584 35.593 1.00 0.00 H new ATOM 755 N LYS A 48 44.225 38.706 32.639 1.00 0.00 N ATOM 756 CA LYS A 48 44.328 37.629 31.675 1.00 0.00 C ATOM 757 C LYS A 48 45.115 38.063 30.438 1.00 0.00 C ATOM 758 O LYS A 48 44.792 39.090 29.845 1.00 0.00 O ATOM 759 CB LYS A 48 42.943 37.148 31.251 1.00 0.00 C ATOM 760 CG LYS A 48 42.002 36.686 32.361 1.00 0.00 C ATOM 761 CD LYS A 48 42.414 35.363 32.999 1.00 0.00 C ATOM 762 CE LYS A 48 41.415 34.978 34.085 1.00 0.00 C ATOM 763 NZ LYS A 48 41.742 33.674 34.682 1.00 0.00 N ATOM 0 H LYS A 48 43.446 39.338 32.452 1.00 0.00 H new ATOM 0 HA LYS A 48 44.861 36.811 32.159 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.455 37.957 30.707 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.070 36.324 30.549 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.959 37.454 33.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.996 36.586 31.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.459 34.582 32.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.413 35.451 33.426 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.408 35.743 34.861 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.411 34.944 33.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.043 33.443 35.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.725 32.941 33.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.690 33.715 35.107 1.00 0.00 H new ATOM 777 N GLN A 49 46.095 37.276 30.003 1.00 0.00 N ATOM 778 CA GLN A 49 46.774 37.478 28.739 1.00 0.00 C ATOM 779 C GLN A 49 45.948 36.874 27.601 1.00 0.00 C ATOM 780 O GLN A 49 45.725 35.666 27.574 1.00 0.00 O ATOM 781 CB GLN A 49 48.181 36.892 28.804 1.00 0.00 C ATOM 782 CG GLN A 49 49.046 37.323 27.624 1.00 0.00 C ATOM 783 CD GLN A 49 50.291 36.441 27.506 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.365 36.745 28.022 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.171 35.301 26.832 1.00 0.00 N ATOM 0 H GLN A 49 46.439 36.473 30.529 1.00 0.00 H new ATOM 0 HA GLN A 49 46.874 38.545 28.540 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.658 37.203 29.733 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.118 35.804 28.826 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.466 37.265 26.703 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.344 38.364 27.748 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.279 35.052 26.405 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.971 34.675 26.742 1.00 0.00 H new ATOM 794 N LEU A 50 45.484 37.702 26.670 1.00 0.00 N ATOM 795 CA LEU A 50 44.493 37.344 25.675 1.00 0.00 C ATOM 796 C LEU A 50 45.115 36.691 24.439 1.00 0.00 C ATOM 797 O LEU A 50 46.096 37.197 23.899 1.00 0.00 O ATOM 798 CB LEU A 50 43.691 38.576 25.268 1.00 0.00 C ATOM 799 CG LEU A 50 43.108 39.428 26.393 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.271 40.541 25.771 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.234 38.632 27.358 1.00 0.00 C ATOM 0 H LEU A 50 45.800 38.668 26.589 1.00 0.00 H new ATOM 0 HA LEU A 50 43.831 36.608 26.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.334 39.212 24.660 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.870 38.250 24.630 1.00 0.00 H new ATOM 0 HG LEU A 50 43.943 39.823 26.971 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.846 41.161 26.560 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.902 41.155 25.128 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.466 40.104 25.180 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.851 39.295 28.133 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.400 38.190 26.813 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.827 37.841 27.818 1.00 0.00 H new ATOM 813 N GLU A 51 44.515 35.606 23.956 1.00 0.00 N ATOM 814 CA GLU A 51 44.933 34.879 22.776 1.00 0.00 C ATOM 815 C GLU A 51 44.101 35.230 21.540 1.00 0.00 C ATOM 816 O GLU A 51 42.905 35.499 21.622 1.00 0.00 O ATOM 817 CB GLU A 51 44.931 33.385 23.084 1.00 0.00 C ATOM 818 CG GLU A 51 45.661 32.552 22.033 1.00 0.00 C ATOM 819 CD GLU A 51 45.810 31.101 22.492 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.891 30.733 23.002 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.851 30.316 22.324 1.00 0.00 O ATOM 0 H GLU A 51 43.692 35.199 24.399 1.00 0.00 H new ATOM 0 HA GLU A 51 45.949 35.181 22.521 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.396 33.221 24.056 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.901 33.038 23.161 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.112 32.585 21.092 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.645 32.980 21.843 1.00 0.00 H new ATOM 828 N ASP A 52 44.724 35.222 20.366 1.00 0.00 N ATOM 829 CA ASP A 52 44.128 35.587 19.096 1.00 0.00 C ATOM 830 C ASP A 52 43.037 34.631 18.610 1.00 0.00 C ATOM 831 O ASP A 52 42.912 33.502 19.077 1.00 0.00 O ATOM 832 CB ASP A 52 45.242 35.734 18.064 1.00 0.00 C ATOM 833 CG ASP A 52 46.383 36.636 18.544 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.495 37.799 18.102 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.212 36.176 19.357 1.00 0.00 O ATOM 0 H ASP A 52 45.702 34.948 20.275 1.00 0.00 H new ATOM 0 HA ASP A 52 43.608 36.534 19.239 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.641 34.748 17.824 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.826 36.142 17.143 1.00 0.00 H new ATOM 840 N GLY A 53 42.216 35.074 17.661 1.00 0.00 N ATOM 841 CA GLY A 53 41.120 34.328 17.079 1.00 0.00 C ATOM 842 C GLY A 53 39.742 34.552 17.706 1.00 0.00 C ATOM 843 O GLY A 53 38.739 34.270 17.053 1.00 0.00 O ATOM 0 H GLY A 53 42.307 36.009 17.263 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.059 34.578 16.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.357 33.266 17.142 1.00 0.00 H new ATOM 847 N ARG A 54 39.674 35.084 18.922 1.00 0.00 N ATOM 848 CA ARG A 54 38.452 35.432 19.621 1.00 0.00 C ATOM 849 C ARG A 54 38.142 36.928 19.538 1.00 0.00 C ATOM 850 O ARG A 54 39.053 37.744 19.417 1.00 0.00 O ATOM 851 CB ARG A 54 38.519 34.942 21.064 1.00 0.00 C ATOM 852 CG ARG A 54 38.406 33.427 21.194 1.00 0.00 C ATOM 853 CD ARG A 54 38.550 33.012 22.656 1.00 0.00 C ATOM 854 NE ARG A 54 38.528 31.557 22.813 1.00 0.00 N ATOM 855 CZ ARG A 54 38.214 30.872 23.921 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.819 31.468 25.054 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.273 29.534 23.916 1.00 0.00 N ATOM 0 H ARG A 54 40.510 35.292 19.468 1.00 0.00 H new ATOM 0 HA ARG A 54 37.623 34.927 19.125 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.460 35.268 21.508 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.718 35.409 21.636 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.444 33.092 20.806 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.177 32.944 20.594 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.484 33.407 23.055 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.742 33.453 23.240 1.00 0.00 H new ATOM 0 HE ARG A 54 38.778 31.006 21.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.747 32.485 25.097 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.590 30.905 25.873 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.556 29.039 23.070 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.035 29.010 24.758 1.00 0.00 H new ATOM 871 N THR A 55 36.864 37.289 19.612 1.00 0.00 N ATOM 872 CA THR A 55 36.405 38.661 19.546 1.00 0.00 C ATOM 873 C THR A 55 36.471 39.389 20.890 1.00 0.00 C ATOM 874 O THR A 55 36.552 38.773 21.950 1.00 0.00 O ATOM 875 CB THR A 55 35.027 38.833 18.912 1.00 0.00 C ATOM 876 OG1 THR A 55 33.988 38.469 19.794 1.00 0.00 O ATOM 877 CG2 THR A 55 34.837 38.056 17.613 1.00 0.00 C ATOM 0 H THR A 55 36.106 36.615 19.722 1.00 0.00 H new ATOM 0 HA THR A 55 37.121 39.135 18.875 1.00 0.00 H new ATOM 0 HB THR A 55 34.977 39.898 18.683 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.784 37.517 19.684 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.833 38.232 17.227 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.571 38.389 16.879 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.971 36.991 17.803 1.00 0.00 H new ATOM 885 N LEU A 56 36.431 40.718 20.851 1.00 0.00 N ATOM 886 CA LEU A 56 36.480 41.559 22.029 1.00 0.00 C ATOM 887 C LEU A 56 35.293 41.346 22.970 1.00 0.00 C ATOM 888 O LEU A 56 35.485 41.371 24.184 1.00 0.00 O ATOM 889 CB LEU A 56 36.612 43.011 21.579 1.00 0.00 C ATOM 890 CG LEU A 56 37.978 43.354 20.989 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.907 44.711 20.295 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.073 43.433 22.050 1.00 0.00 C ATOM 0 H LEU A 56 36.362 41.244 19.980 1.00 0.00 H new ATOM 0 HA LEU A 56 37.351 41.280 22.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.843 43.222 20.836 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.421 43.664 22.431 1.00 0.00 H new ATOM 0 HG LEU A 56 38.228 42.555 20.291 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.882 44.956 19.874 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.166 44.673 19.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.622 45.475 21.018 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.023 43.680 21.575 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.820 44.204 22.777 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.159 42.471 22.556 1.00 0.00 H new ATOM 904 N SER A 57 34.099 41.059 22.458 1.00 0.00 N ATOM 905 CA SER A 57 32.947 40.701 23.262 1.00 0.00 C ATOM 906 C SER A 57 33.077 39.315 23.897 1.00 0.00 C ATOM 907 O SER A 57 32.654 39.140 25.038 1.00 0.00 O ATOM 908 CB SER A 57 31.649 40.819 22.468 1.00 0.00 C ATOM 909 OG SER A 57 31.518 39.832 21.470 1.00 0.00 O ATOM 0 H SER A 57 33.908 41.070 21.456 1.00 0.00 H new ATOM 0 HA SER A 57 32.911 41.421 24.079 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.804 40.749 23.153 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.602 41.804 22.004 1.00 0.00 H new ATOM 0 HG SER A 57 32.404 39.595 21.126 1.00 0.00 H new ATOM 915 N ASP A 58 33.733 38.363 23.240 1.00 0.00 N ATOM 916 CA ASP A 58 34.032 37.059 23.796 1.00 0.00 C ATOM 917 C ASP A 58 35.037 37.115 24.949 1.00 0.00 C ATOM 918 O ASP A 58 35.014 36.245 25.817 1.00 0.00 O ATOM 919 CB ASP A 58 34.553 36.101 22.728 1.00 0.00 C ATOM 920 CG ASP A 58 33.534 35.844 21.616 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.904 35.961 20.428 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.365 35.532 21.931 1.00 0.00 O ATOM 0 H ASP A 58 34.076 38.485 22.287 1.00 0.00 H new ATOM 0 HA ASP A 58 33.086 36.690 24.191 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.464 36.510 22.292 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.821 35.153 23.195 1.00 0.00 H new ATOM 927 N TYR A 59 35.880 38.142 24.994 1.00 0.00 N ATOM 928 CA TYR A 59 36.725 38.469 26.125 1.00 0.00 C ATOM 929 C TYR A 59 36.116 39.503 27.075 1.00 0.00 C ATOM 930 O TYR A 59 36.754 39.857 28.062 1.00 0.00 O ATOM 931 CB TYR A 59 38.107 38.884 25.628 1.00 0.00 C ATOM 932 CG TYR A 59 38.972 37.758 25.114 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.295 36.691 25.963 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.516 37.819 23.826 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.168 35.687 25.528 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.419 36.840 23.395 1.00 0.00 C ATOM 937 CZ TYR A 59 40.741 35.762 24.244 1.00 0.00 C ATOM 938 OH TYR A 59 41.610 34.792 23.841 1.00 0.00 O ATOM 0 H TYR A 59 35.993 38.789 24.214 1.00 0.00 H new ATOM 0 HA TYR A 59 36.819 37.568 26.731 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.983 39.618 24.832 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.633 39.382 26.442 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.870 36.643 26.955 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.238 38.624 23.162 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.402 34.856 26.177 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.868 36.910 22.415 1.00 0.00 H new ATOM 0 HH TYR A 59 42.168 35.135 23.112 1.00 0.00 H new ATOM 948 N ASN A 60 34.887 39.956 26.843 1.00 0.00 N ATOM 949 CA ASN A 60 34.188 40.935 27.651 1.00 0.00 C ATOM 950 C ASN A 60 34.913 42.271 27.821 1.00 0.00 C ATOM 951 O ASN A 60 34.853 42.891 28.881 1.00 0.00 O ATOM 952 CB ASN A 60 33.714 40.273 28.942 1.00 0.00 C ATOM 953 CG ASN A 60 32.616 41.037 29.684 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.963 41.941 29.167 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.364 40.667 30.936 1.00 0.00 N ATOM 0 H ASN A 60 34.332 39.633 26.051 1.00 0.00 H new ATOM 0 HA ASN A 60 33.303 41.258 27.103 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.348 39.273 28.709 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.568 40.153 29.608 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.629 41.133 31.467 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.906 39.917 31.365 1.00 0.00 H new ATOM 962 N ILE A 61 35.590 42.760 26.787 1.00 0.00 N ATOM 963 CA ILE A 61 36.026 44.141 26.721 1.00 0.00 C ATOM 964 C ILE A 61 34.783 45.003 26.492 1.00 0.00 C ATOM 965 O ILE A 61 33.950 44.682 25.648 1.00 0.00 O ATOM 966 CB ILE A 61 37.105 44.369 25.666 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.472 43.797 26.031 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.334 45.855 25.404 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.565 42.274 25.994 1.00 0.00 C ATOM 0 H ILE A 61 35.850 42.205 25.972 1.00 0.00 H new ATOM 0 HA ILE A 61 36.505 44.424 27.659 1.00 0.00 H new ATOM 0 HB ILE A 61 36.714 43.850 24.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 39.215 44.208 25.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.736 44.138 27.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.109 45.976 24.647 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.408 46.309 25.051 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.648 46.343 26.327 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.574 41.964 26.268 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.851 41.849 26.699 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.337 41.920 24.989 1.00 0.00 H new ATOM 981 N GLN A 62 34.661 46.099 27.235 1.00 0.00 N ATOM 982 CA GLN A 62 33.530 47.003 27.184 1.00 0.00 C ATOM 983 C GLN A 62 33.959 48.456 26.966 1.00 0.00 C ATOM 984 O GLN A 62 35.111 48.816 27.200 1.00 0.00 O ATOM 985 CB GLN A 62 32.709 46.878 28.465 1.00 0.00 C ATOM 986 CG GLN A 62 32.089 45.495 28.651 1.00 0.00 C ATOM 987 CD GLN A 62 31.120 45.430 29.833 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.728 46.428 30.435 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.698 44.238 30.242 1.00 0.00 N ATOM 0 H GLN A 62 35.372 46.386 27.908 1.00 0.00 H new ATOM 0 HA GLN A 62 32.918 46.718 26.328 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.347 47.101 29.320 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.916 47.626 28.455 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.562 45.214 27.740 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.883 44.763 28.798 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.008 43.394 29.760 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.064 44.167 31.038 1.00 0.00 H new ATOM 998 N LYS A 63 33.013 49.302 26.569 1.00 0.00 N ATOM 999 CA LYS A 63 33.161 50.735 26.406 1.00 0.00 C ATOM 1000 C LYS A 63 33.875 51.383 27.594 1.00 0.00 C ATOM 1001 O LYS A 63 33.455 51.223 28.738 1.00 0.00 O ATOM 1002 CB LYS A 63 31.758 51.286 26.165 1.00 0.00 C ATOM 1003 CG LYS A 63 31.638 52.796 25.984 1.00 0.00 C ATOM 1004 CD LYS A 63 31.239 53.526 27.265 1.00 0.00 C ATOM 1005 CE LYS A 63 30.944 54.993 26.969 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.668 55.742 28.205 1.00 0.00 N ATOM 0 H LYS A 63 32.072 48.983 26.341 1.00 0.00 H new ATOM 0 HA LYS A 63 33.804 50.971 25.558 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.350 50.803 25.277 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.128 50.993 27.005 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.591 53.190 25.631 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.900 53.005 25.210 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.360 53.053 27.703 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.041 53.450 27.999 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.793 55.440 26.452 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.088 55.066 26.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.521 56.746 27.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.813 55.361 28.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.475 55.649 28.855 1.00 0.00 H new ATOM 1020 N GLU A 64 34.953 52.109 27.316 1.00 0.00 N ATOM 1021 CA GLU A 64 35.833 52.787 28.248 1.00 0.00 C ATOM 1022 C GLU A 64 36.618 51.891 29.207 1.00 0.00 C ATOM 1023 O GLU A 64 37.092 52.359 30.240 1.00 0.00 O ATOM 1024 CB GLU A 64 35.137 53.962 28.928 1.00 0.00 C ATOM 1025 CG GLU A 64 34.666 55.020 27.934 1.00 0.00 C ATOM 1026 CD GLU A 64 33.920 56.164 28.625 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.151 55.938 29.583 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.024 57.327 28.178 1.00 0.00 O ATOM 0 H GLU A 64 35.254 52.247 26.351 1.00 0.00 H new ATOM 0 HA GLU A 64 36.628 53.197 27.626 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.281 53.594 29.494 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.820 54.420 29.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.525 55.420 27.396 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.014 54.557 27.193 1.00 0.00 H new ATOM 1035 N SER A 65 36.823 50.623 28.860 1.00 0.00 N ATOM 1036 CA SER A 65 37.776 49.749 29.515 1.00 0.00 C ATOM 1037 C SER A 65 39.226 50.097 29.175 1.00 0.00 C ATOM 1038 O SER A 65 39.494 50.637 28.103 1.00 0.00 O ATOM 1039 CB SER A 65 37.545 48.288 29.139 1.00 0.00 C ATOM 1040 OG SER A 65 36.225 47.893 29.440 1.00 0.00 O ATOM 0 H SER A 65 36.317 50.170 28.098 1.00 0.00 H new ATOM 0 HA SER A 65 37.614 49.896 30.583 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.737 48.147 28.075 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.250 47.654 29.677 1.00 0.00 H new ATOM 0 HG SER A 65 35.600 48.365 28.851 1.00 0.00 H new ATOM 1046 N THR A 66 40.162 49.715 30.038 1.00 0.00 N ATOM 1047 CA THR A 66 41.590 49.834 29.821 1.00 0.00 C ATOM 1048 C THR A 66 42.229 48.446 29.746 1.00 0.00 C ATOM 1049 O THR A 66 41.949 47.595 30.588 1.00 0.00 O ATOM 1050 CB THR A 66 42.256 50.654 30.922 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.628 51.905 31.085 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.728 50.946 30.648 1.00 0.00 C ATOM 0 H THR A 66 39.932 49.299 30.940 1.00 0.00 H new ATOM 0 HA THR A 66 41.741 50.354 28.875 1.00 0.00 H new ATOM 0 HB THR A 66 42.162 50.038 31.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.076 52.406 31.798 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.142 51.532 31.469 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.275 50.007 30.561 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.821 51.508 29.718 1.00 0.00 H new ATOM 1060 N LEU A 67 43.114 48.213 28.781 1.00 0.00 N ATOM 1061 CA LEU A 67 43.954 47.036 28.699 1.00 0.00 C ATOM 1062 C LEU A 67 45.433 47.407 28.571 1.00 0.00 C ATOM 1063 O LEU A 67 45.769 48.546 28.255 1.00 0.00 O ATOM 1064 CB LEU A 67 43.424 46.073 27.641 1.00 0.00 C ATOM 1065 CG LEU A 67 43.444 46.512 26.179 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.832 46.456 25.549 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.551 45.578 25.368 1.00 0.00 C ATOM 0 H LEU A 67 43.266 48.865 28.011 1.00 0.00 H new ATOM 0 HA LEU A 67 43.903 46.484 29.637 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.997 45.149 27.717 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.393 45.831 27.900 1.00 0.00 H new ATOM 0 HG LEU A 67 43.100 47.546 26.165 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.773 46.781 24.510 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.507 47.113 26.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.209 45.434 25.589 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.559 45.884 24.322 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.923 44.557 25.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.532 45.625 25.752 1.00 0.00 H new ATOM 1079 N HIS A 68 46.323 46.459 28.852 1.00 0.00 N ATOM 1080 CA HIS A 68 47.758 46.647 28.933 1.00 0.00 C ATOM 1081 C HIS A 68 48.482 45.949 27.780 1.00 0.00 C ATOM 1082 O HIS A 68 48.068 44.880 27.339 1.00 0.00 O ATOM 1083 CB HIS A 68 48.257 46.138 30.283 1.00 0.00 C ATOM 1084 CG HIS A 68 47.788 46.948 31.459 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.606 47.756 32.248 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.516 46.977 31.972 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.822 48.273 33.197 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.561 47.832 33.056 1.00 0.00 N ATOM 0 H HIS A 68 46.044 45.496 29.037 1.00 0.00 H new ATOM 0 HA HIS A 68 47.978 47.711 28.846 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.930 45.106 30.413 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.347 46.128 30.275 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.654 46.440 31.603 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.155 48.950 33.969 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.771 48.086 33.649 1.00 0.00 H new ATOM 1096 N LEU A 69 49.578 46.543 27.315 1.00 0.00 N ATOM 1097 CA LEU A 69 50.428 46.035 26.258 1.00 0.00 C ATOM 1098 C LEU A 69 51.782 45.573 26.798 1.00 0.00 C ATOM 1099 O LEU A 69 52.456 46.314 27.510 1.00 0.00 O ATOM 1100 CB LEU A 69 50.567 47.130 25.203 1.00 0.00 C ATOM 1101 CG LEU A 69 51.584 46.871 24.096 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.235 45.677 23.213 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.682 48.107 23.205 1.00 0.00 C ATOM 0 H LEU A 69 49.907 47.434 27.687 1.00 0.00 H new ATOM 0 HA LEU A 69 49.978 45.151 25.806 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.592 47.288 24.743 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.837 48.059 25.706 1.00 0.00 H new ATOM 0 HG LEU A 69 52.528 46.648 24.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.002 45.553 22.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.183 44.776 23.824 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.270 45.848 22.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.408 47.927 22.412 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.707 48.316 22.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.001 48.961 23.802 1.00 0.00 H new ATOM 1115 N VAL A 70 52.211 44.377 26.403 1.00 0.00 N ATOM 1116 CA VAL A 70 53.532 43.826 26.625 1.00 0.00 C ATOM 1117 C VAL A 70 54.135 43.308 25.318 1.00 0.00 C ATOM 1118 O VAL A 70 53.432 43.158 24.322 1.00 0.00 O ATOM 1119 CB VAL A 70 53.524 42.743 27.701 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.135 43.292 29.070 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.599 41.573 27.377 1.00 0.00 C ATOM 0 H VAL A 70 51.606 43.735 25.891 1.00 0.00 H new ATOM 0 HA VAL A 70 54.165 44.634 26.992 1.00 0.00 H new ATOM 0 HB VAL A 70 54.551 42.380 27.725 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.144 42.484 29.802 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.847 44.061 29.370 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.136 43.724 29.018 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.642 40.841 28.183 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.577 41.936 27.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.917 41.105 26.445 1.00 0.00 H new