USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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= 0.693 K(o=1.5,f=-0.56) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.84 K(o=1.5,f=-0.17) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 173:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 131:sc= 0.99 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.131) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.29 (180deg=1.81) USER MOD Single : A 2 GLN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.902 (180deg=-0.0425!) 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 22 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 25 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0614) USER MOD Single : A 40 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.069) USER MOD Single : A 41 GLN : amide:sc= 1.31 K(o=1.3,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.051) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.698 USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00419) USER MOD Single : A 65 SER OG : rot 84:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.068 X(o=-0.068,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.553 51.716 20.144 1.00 0.00 N ATOM 2 CA MET A 1 32.801 51.933 21.577 1.00 0.00 C ATOM 3 C MET A 1 34.236 52.420 21.795 1.00 0.00 C ATOM 4 O MET A 1 35.137 51.959 21.099 1.00 0.00 O ATOM 5 CB MET A 1 32.514 50.701 22.431 1.00 0.00 C ATOM 6 CG MET A 1 33.401 49.495 22.141 1.00 0.00 C ATOM 7 SD MET A 1 33.156 48.084 23.248 1.00 0.00 S ATOM 8 CE MET A 1 34.519 47.041 22.671 1.00 0.00 C ATOM 0 H1 MET A 1 31.528 51.686 19.970 1.00 0.00 H new ATOM 0 H2 MET A 1 32.975 52.493 19.597 1.00 0.00 H new ATOM 0 H3 MET A 1 32.980 50.814 19.850 1.00 0.00 H new ATOM 0 HA MET A 1 32.101 52.701 21.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.626 50.971 23.481 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.473 50.411 22.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.223 49.169 21.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.444 49.807 22.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.419 46.043 23.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.492 46.976 21.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.468 47.476 22.985 1.00 0.00 H new ATOM 20 N GLN A 2 34.464 53.300 22.766 1.00 0.00 N ATOM 21 CA GLN A 2 35.791 53.730 23.157 1.00 0.00 C ATOM 22 C GLN A 2 36.449 52.738 24.117 1.00 0.00 C ATOM 23 O GLN A 2 35.810 52.293 25.069 1.00 0.00 O ATOM 24 CB GLN A 2 35.709 55.129 23.762 1.00 0.00 C ATOM 25 CG GLN A 2 37.063 55.669 24.214 1.00 0.00 C ATOM 26 CD GLN A 2 36.986 57.147 24.599 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.414 58.026 23.854 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.432 57.486 25.760 1.00 0.00 N ATOM 0 H GLN A 2 33.718 53.737 23.307 1.00 0.00 H new ATOM 0 HA GLN A 2 36.425 53.764 22.271 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.280 55.811 23.028 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.030 55.110 24.614 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.419 55.090 25.066 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.791 55.540 23.414 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.074 56.763 26.385 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.365 58.469 26.026 1.00 0.00 H new ATOM 37 N ILE A 3 37.734 52.458 23.920 1.00 0.00 N ATOM 38 CA ILE A 3 38.600 51.766 24.852 1.00 0.00 C ATOM 39 C ILE A 3 39.973 52.435 24.950 1.00 0.00 C ATOM 40 O ILE A 3 40.405 53.135 24.037 1.00 0.00 O ATOM 41 CB ILE A 3 38.738 50.282 24.524 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.379 50.039 23.161 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.402 49.557 24.665 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.702 48.575 22.876 1.00 0.00 C ATOM 0 H ILE A 3 38.217 52.723 23.062 1.00 0.00 H new ATOM 0 HA ILE A 3 38.121 51.837 25.829 1.00 0.00 H new ATOM 0 HB ILE A 3 39.422 49.858 25.259 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.709 50.410 22.385 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.297 50.622 23.094 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.533 48.502 24.425 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.042 49.654 25.689 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.675 49.997 23.982 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.155 48.488 21.888 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.398 48.203 23.628 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.785 47.987 22.908 1.00 0.00 H new ATOM 56 N PHE A 4 40.681 52.170 26.045 1.00 0.00 N ATOM 57 CA PHE A 4 42.030 52.633 26.303 1.00 0.00 C ATOM 58 C PHE A 4 43.010 51.464 26.417 1.00 0.00 C ATOM 59 O PHE A 4 42.656 50.394 26.907 1.00 0.00 O ATOM 60 CB PHE A 4 42.062 53.484 27.568 1.00 0.00 C ATOM 61 CG PHE A 4 41.016 54.568 27.654 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.000 55.610 26.719 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.055 54.543 28.671 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.029 56.616 26.797 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.094 55.558 28.762 1.00 0.00 C ATOM 66 CZ PHE A 4 39.077 56.596 27.822 1.00 0.00 C ATOM 0 H PHE A 4 40.309 51.602 26.806 1.00 0.00 H new ATOM 0 HA PHE A 4 42.343 53.245 25.457 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.948 52.826 28.429 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.046 53.947 27.648 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.741 55.638 25.933 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.054 53.737 29.390 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.015 57.409 26.064 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.365 55.540 29.558 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.333 57.376 27.888 1.00 0.00 H new ATOM 76 N VAL A 5 44.263 51.670 26.022 1.00 0.00 N ATOM 77 CA VAL A 5 45.347 50.724 26.192 1.00 0.00 C ATOM 78 C VAL A 5 46.564 51.425 26.798 1.00 0.00 C ATOM 79 O VAL A 5 47.017 52.447 26.285 1.00 0.00 O ATOM 80 CB VAL A 5 45.706 50.006 24.894 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.675 48.856 25.152 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.490 49.437 24.168 1.00 0.00 C ATOM 0 H VAL A 5 44.555 52.531 25.560 1.00 0.00 H new ATOM 0 HA VAL A 5 45.006 49.951 26.881 1.00 0.00 H new ATOM 0 HB VAL A 5 46.166 50.767 24.263 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.913 48.363 24.210 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.590 49.244 25.600 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.215 48.138 25.831 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.812 48.939 23.253 1.00 0.00 H new ATOM 0 HG22 VAL A 5 43.984 48.719 24.813 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.804 50.246 23.918 1.00 0.00 H new ATOM 92 N LYS A 6 47.094 50.873 27.885 1.00 0.00 N ATOM 93 CA LYS A 6 48.256 51.347 28.610 1.00 0.00 C ATOM 94 C LYS A 6 49.501 50.547 28.220 1.00 0.00 C ATOM 95 O LYS A 6 49.490 49.323 28.334 1.00 0.00 O ATOM 96 CB LYS A 6 47.989 51.217 30.107 1.00 0.00 C ATOM 97 CG LYS A 6 46.974 52.209 30.667 1.00 0.00 C ATOM 98 CD LYS A 6 47.564 53.606 30.834 1.00 0.00 C ATOM 99 CE LYS A 6 46.647 54.537 31.621 1.00 0.00 C ATOM 100 NZ LYS A 6 47.232 55.882 31.728 1.00 0.00 N ATOM 0 H LYS A 6 46.696 50.033 28.304 1.00 0.00 H new ATOM 0 HA LYS A 6 48.438 52.392 28.358 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.638 50.206 30.312 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.931 51.342 30.641 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.112 52.258 30.002 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.613 51.851 31.631 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.525 53.533 31.343 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.756 54.036 29.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.675 54.597 31.131 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.477 54.130 32.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.542 56.527 32.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.088 55.842 32.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.481 56.229 30.780 1.00 0.00 H new ATOM 168 N LYS A 11 52.806 55.111 28.045 1.00 0.00 N ATOM 169 CA LYS A 11 51.951 55.798 27.098 1.00 0.00 C ATOM 170 C LYS A 11 50.516 55.270 27.170 1.00 0.00 C ATOM 171 O LYS A 11 50.299 54.097 27.461 1.00 0.00 O ATOM 172 CB LYS A 11 52.555 55.661 25.704 1.00 0.00 C ATOM 173 CG LYS A 11 51.976 56.641 24.688 1.00 0.00 C ATOM 174 CD LYS A 11 52.656 56.496 23.329 1.00 0.00 C ATOM 175 CE LYS A 11 52.026 57.469 22.336 1.00 0.00 C ATOM 176 NZ LYS A 11 52.659 57.382 21.012 1.00 0.00 N ATOM 0 HA LYS A 11 51.894 56.858 27.347 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.633 55.811 25.768 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.396 54.644 25.347 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.905 56.468 24.582 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.099 57.661 25.052 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.724 56.696 23.422 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.553 55.473 22.967 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.961 57.257 22.245 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.117 58.486 22.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.972 57.653 20.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.476 58.025 20.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.978 56.407 20.843 1.00 0.00 H new ATOM 190 N THR A 12 49.540 56.117 26.852 1.00 0.00 N ATOM 191 CA THR A 12 48.134 55.776 26.772 1.00 0.00 C ATOM 192 C THR A 12 47.632 55.914 25.334 1.00 0.00 C ATOM 193 O THR A 12 47.710 56.984 24.735 1.00 0.00 O ATOM 194 CB THR A 12 47.305 56.646 27.713 1.00 0.00 C ATOM 195 OG1 THR A 12 47.790 56.526 29.031 1.00 0.00 O ATOM 196 CG2 THR A 12 45.842 56.218 27.758 1.00 0.00 C ATOM 0 H THR A 12 49.721 57.097 26.636 1.00 0.00 H new ATOM 0 HA THR A 12 48.019 54.738 27.083 1.00 0.00 H new ATOM 0 HB THR A 12 47.384 57.665 27.334 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.913 57.418 29.417 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.294 56.867 28.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.410 56.294 26.760 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.775 55.187 28.105 1.00 0.00 H new ATOM 204 N ILE A 13 47.078 54.837 24.785 1.00 0.00 N ATOM 205 CA ILE A 13 46.519 54.735 23.452 1.00 0.00 C ATOM 206 C ILE A 13 44.995 54.699 23.578 1.00 0.00 C ATOM 207 O ILE A 13 44.473 54.014 24.456 1.00 0.00 O ATOM 208 CB ILE A 13 47.058 53.499 22.738 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.582 53.404 22.737 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.535 53.436 21.306 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.107 52.001 22.444 1.00 0.00 C ATOM 0 H ILE A 13 47.006 53.958 25.298 1.00 0.00 H new ATOM 0 HA ILE A 13 46.809 55.596 22.849 1.00 0.00 H new ATOM 0 HB ILE A 13 46.693 52.645 23.308 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.980 54.094 21.993 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.958 53.728 23.707 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.930 52.548 20.813 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.446 53.390 21.318 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.855 54.325 20.762 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.197 52.010 22.460 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.739 51.309 23.202 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.761 51.681 21.461 1.00 0.00 H new ATOM 223 N THR A 14 44.267 55.394 22.708 1.00 0.00 N ATOM 224 CA THR A 14 42.821 55.485 22.727 1.00 0.00 C ATOM 225 C THR A 14 42.241 55.055 21.378 1.00 0.00 C ATOM 226 O THR A 14 42.633 55.605 20.350 1.00 0.00 O ATOM 227 CB THR A 14 42.373 56.906 23.060 1.00 0.00 C ATOM 228 OG1 THR A 14 42.956 57.337 24.269 1.00 0.00 O ATOM 229 CG2 THR A 14 40.859 57.030 23.204 1.00 0.00 C ATOM 0 H THR A 14 44.688 55.926 21.946 1.00 0.00 H new ATOM 0 HA THR A 14 42.449 54.814 23.501 1.00 0.00 H new ATOM 0 HB THR A 14 42.698 57.525 22.224 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.660 58.250 24.468 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.599 58.062 23.441 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.380 56.741 22.269 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.515 56.376 24.006 1.00 0.00 H new ATOM 237 N LEU A 15 41.314 54.103 21.365 1.00 0.00 N ATOM 238 CA LEU A 15 40.738 53.535 20.162 1.00 0.00 C ATOM 239 C LEU A 15 39.209 53.529 20.203 1.00 0.00 C ATOM 240 O LEU A 15 38.627 53.343 21.270 1.00 0.00 O ATOM 241 CB LEU A 15 41.252 52.112 19.956 1.00 0.00 C ATOM 242 CG LEU A 15 42.763 51.927 19.852 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.092 50.438 19.802 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.349 52.571 18.598 1.00 0.00 C ATOM 0 H LEU A 15 40.935 53.696 22.220 1.00 0.00 H new ATOM 0 HA LEU A 15 41.045 54.164 19.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 40.892 51.499 20.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.799 51.717 19.046 1.00 0.00 H new ATOM 0 HG LEU A 15 43.198 52.409 20.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.171 50.306 19.728 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.729 49.955 20.709 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.611 49.988 18.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.427 52.409 18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.896 52.123 17.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.143 53.641 18.609 1.00 0.00 H new ATOM 256 N GLU A 16 38.560 53.668 19.051 1.00 0.00 N ATOM 257 CA GLU A 16 37.128 53.535 18.878 1.00 0.00 C ATOM 258 C GLU A 16 36.821 52.354 17.955 1.00 0.00 C ATOM 259 O GLU A 16 37.112 52.393 16.763 1.00 0.00 O ATOM 260 CB GLU A 16 36.554 54.869 18.407 1.00 0.00 C ATOM 261 CG GLU A 16 35.065 55.044 18.686 1.00 0.00 C ATOM 262 CD GLU A 16 34.181 54.241 17.727 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.728 53.137 18.096 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.933 54.713 16.596 1.00 0.00 O ATOM 0 H GLU A 16 39.043 53.885 18.179 1.00 0.00 H new ATOM 0 HA GLU A 16 36.637 53.304 19.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.100 55.678 18.892 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.725 54.967 17.335 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.854 54.737 19.710 1.00 0.00 H new ATOM 0 HG3 GLU A 16 34.808 56.101 18.611 1.00 0.00 H new ATOM 271 N VAL A 17 36.296 51.270 18.520 1.00 0.00 N ATOM 272 CA VAL A 17 36.240 49.940 17.949 1.00 0.00 C ATOM 273 C VAL A 17 34.864 49.289 18.086 1.00 0.00 C ATOM 274 O VAL A 17 34.035 49.721 18.885 1.00 0.00 O ATOM 275 CB VAL A 17 37.298 49.035 18.576 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.707 49.512 18.237 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.168 48.915 20.091 1.00 0.00 C ATOM 0 H VAL A 17 35.873 51.306 19.448 1.00 0.00 H new ATOM 0 HA VAL A 17 36.441 50.060 16.884 1.00 0.00 H new ATOM 0 HB VAL A 17 37.125 48.049 18.146 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.437 48.847 18.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.843 49.506 17.156 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.849 50.524 18.615 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.950 48.258 20.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.270 49.901 20.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.192 48.500 20.341 1.00 0.00 H new ATOM 287 N GLU A 18 34.619 48.212 17.344 1.00 0.00 N ATOM 288 CA GLU A 18 33.431 47.395 17.490 1.00 0.00 C ATOM 289 C GLU A 18 33.622 46.320 18.562 1.00 0.00 C ATOM 290 O GLU A 18 34.703 45.738 18.631 1.00 0.00 O ATOM 291 CB GLU A 18 33.061 46.735 16.165 1.00 0.00 C ATOM 292 CG GLU A 18 32.747 47.733 15.054 1.00 0.00 C ATOM 293 CD GLU A 18 32.048 47.039 13.884 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.799 47.002 13.871 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.726 46.530 12.965 1.00 0.00 O ATOM 0 H GLU A 18 35.253 47.883 16.616 1.00 0.00 H new ATOM 0 HA GLU A 18 32.620 48.055 17.800 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.883 46.094 15.845 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.196 46.090 16.319 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.112 48.529 15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.669 48.201 14.708 1.00 0.00 H new ATOM 302 N PRO A 19 32.598 45.936 19.317 1.00 0.00 N ATOM 303 CA PRO A 19 32.643 44.770 20.177 1.00 0.00 C ATOM 304 C PRO A 19 33.031 43.472 19.466 1.00 0.00 C ATOM 305 O PRO A 19 33.557 42.553 20.087 1.00 0.00 O ATOM 306 CB PRO A 19 31.243 44.646 20.772 1.00 0.00 C ATOM 307 CG PRO A 19 30.704 46.074 20.743 1.00 0.00 C ATOM 308 CD PRO A 19 31.330 46.622 19.462 1.00 0.00 C ATOM 0 HA PRO A 19 33.422 44.910 20.926 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.618 43.971 20.187 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.274 44.251 21.788 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.615 46.099 20.708 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.008 46.643 21.622 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.686 46.438 18.602 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.474 47.700 19.528 1.00 0.00 H new ATOM 316 N SER A 20 32.781 43.401 18.161 1.00 0.00 N ATOM 317 CA SER A 20 33.072 42.275 17.298 1.00 0.00 C ATOM 318 C SER A 20 34.432 42.345 16.597 1.00 0.00 C ATOM 319 O SER A 20 34.712 41.478 15.774 1.00 0.00 O ATOM 320 CB SER A 20 31.956 42.100 16.271 1.00 0.00 C ATOM 321 OG SER A 20 30.690 42.140 16.891 1.00 0.00 O ATOM 0 H SER A 20 32.346 44.173 17.656 1.00 0.00 H new ATOM 0 HA SER A 20 33.126 41.406 17.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.022 42.886 15.519 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.081 41.150 15.751 1.00 0.00 H new ATOM 0 HG SER A 20 29.990 42.028 16.214 1.00 0.00 H new ATOM 327 N ASP A 21 35.277 43.333 16.879 1.00 0.00 N ATOM 328 CA ASP A 21 36.646 43.341 16.407 1.00 0.00 C ATOM 329 C ASP A 21 37.497 42.299 17.135 1.00 0.00 C ATOM 330 O ASP A 21 37.307 42.053 18.324 1.00 0.00 O ATOM 331 CB ASP A 21 37.270 44.729 16.520 1.00 0.00 C ATOM 332 CG ASP A 21 36.733 45.741 15.506 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.363 45.341 14.381 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.727 46.954 15.809 1.00 0.00 O ATOM 0 H ASP A 21 35.026 44.147 17.441 1.00 0.00 H new ATOM 0 HA ASP A 21 36.622 43.072 15.351 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.097 45.112 17.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.349 44.642 16.393 1.00 0.00 H new ATOM 339 N THR A 22 38.448 41.689 16.435 1.00 0.00 N ATOM 340 CA THR A 22 39.376 40.727 16.996 1.00 0.00 C ATOM 341 C THR A 22 40.570 41.399 17.675 1.00 0.00 C ATOM 342 O THR A 22 40.923 42.536 17.368 1.00 0.00 O ATOM 343 CB THR A 22 39.870 39.704 15.978 1.00 0.00 C ATOM 344 OG1 THR A 22 40.631 40.316 14.960 1.00 0.00 O ATOM 345 CG2 THR A 22 38.737 38.922 15.319 1.00 0.00 C ATOM 0 H THR A 22 38.594 41.857 15.440 1.00 0.00 H new ATOM 0 HA THR A 22 38.801 40.192 17.752 1.00 0.00 H new ATOM 0 HB THR A 22 40.488 39.010 16.548 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.935 39.635 14.324 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.153 38.211 14.605 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.175 38.384 16.082 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.073 39.612 14.798 1.00 0.00 H new ATOM 353 N ILE A 23 41.253 40.681 18.562 1.00 0.00 N ATOM 354 CA ILE A 23 42.475 41.174 19.167 1.00 0.00 C ATOM 355 C ILE A 23 43.585 41.298 18.121 1.00 0.00 C ATOM 356 O ILE A 23 44.374 42.238 18.177 1.00 0.00 O ATOM 357 CB ILE A 23 42.904 40.314 20.352 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.770 39.947 21.306 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.031 40.978 21.137 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.902 41.102 21.798 1.00 0.00 C ATOM 0 H ILE A 23 40.974 39.751 18.876 1.00 0.00 H new ATOM 0 HA ILE A 23 42.276 42.171 19.560 1.00 0.00 H new ATOM 0 HB ILE A 23 43.254 39.383 19.907 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.126 39.222 20.809 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.201 39.448 22.174 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.315 40.341 21.975 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.892 41.124 20.485 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.693 41.943 21.513 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.132 40.719 22.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.522 41.822 22.332 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.431 41.592 20.946 1.00 0.00 H new ATOM 372 N GLU A 24 43.608 40.431 17.113 1.00 0.00 N ATOM 373 CA GLU A 24 44.461 40.542 15.947 1.00 0.00 C ATOM 374 C GLU A 24 44.255 41.861 15.199 1.00 0.00 C ATOM 375 O GLU A 24 45.231 42.530 14.868 1.00 0.00 O ATOM 376 CB GLU A 24 44.222 39.322 15.063 1.00 0.00 C ATOM 377 CG GLU A 24 44.965 39.331 13.729 1.00 0.00 C ATOM 378 CD GLU A 24 44.813 37.987 13.015 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.762 37.174 13.033 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.749 37.699 12.426 1.00 0.00 O ATOM 0 H GLU A 24 43.010 39.605 17.090 1.00 0.00 H new ATOM 0 HA GLU A 24 45.505 40.559 16.260 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.513 38.429 15.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.153 39.240 14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.577 40.130 13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.021 39.542 13.897 1.00 0.00 H new ATOM 387 N ASN A 25 43.007 42.277 15.003 1.00 0.00 N ATOM 388 CA ASN A 25 42.670 43.565 14.431 1.00 0.00 C ATOM 389 C ASN A 25 43.089 44.723 15.339 1.00 0.00 C ATOM 390 O ASN A 25 43.748 45.652 14.876 1.00 0.00 O ATOM 391 CB ASN A 25 41.177 43.565 14.113 1.00 0.00 C ATOM 392 CG ASN A 25 40.653 44.815 13.405 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.378 45.733 13.027 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.340 44.897 13.213 1.00 0.00 N ATOM 0 H ASN A 25 42.191 41.714 15.244 1.00 0.00 H new ATOM 0 HA ASN A 25 43.228 43.721 13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.956 42.697 13.491 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.625 43.438 15.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.942 45.717 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.731 44.140 13.523 1.00 0.00 H new ATOM 401 N VAL A 26 42.812 44.670 16.639 1.00 0.00 N ATOM 402 CA VAL A 26 43.261 45.678 17.579 1.00 0.00 C ATOM 403 C VAL A 26 44.785 45.824 17.567 1.00 0.00 C ATOM 404 O VAL A 26 45.292 46.943 17.532 1.00 0.00 O ATOM 405 CB VAL A 26 42.726 45.408 18.981 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.311 46.349 20.030 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.211 45.591 19.020 1.00 0.00 C ATOM 0 H VAL A 26 42.267 43.921 17.066 1.00 0.00 H new ATOM 0 HA VAL A 26 42.849 46.634 17.255 1.00 0.00 H new ATOM 0 HB VAL A 26 43.016 44.383 19.213 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.893 46.109 21.008 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.394 46.232 20.060 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.064 47.379 19.773 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.847 45.394 20.028 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.961 46.613 18.737 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.743 44.896 18.323 1.00 0.00 H new ATOM 417 N LYS A 27 45.526 44.723 17.486 1.00 0.00 N ATOM 418 CA LYS A 27 46.967 44.724 17.333 1.00 0.00 C ATOM 419 C LYS A 27 47.414 45.340 16.006 1.00 0.00 C ATOM 420 O LYS A 27 48.408 46.062 15.994 1.00 0.00 O ATOM 421 CB LYS A 27 47.508 43.307 17.507 1.00 0.00 C ATOM 422 CG LYS A 27 47.451 42.851 18.962 1.00 0.00 C ATOM 423 CD LYS A 27 47.651 41.351 19.156 1.00 0.00 C ATOM 424 CE LYS A 27 48.981 40.869 18.581 1.00 0.00 C ATOM 425 NZ LYS A 27 49.291 39.484 18.968 1.00 0.00 N ATOM 0 H LYS A 27 45.126 43.786 17.526 1.00 0.00 H new ATOM 0 HA LYS A 27 47.386 45.358 18.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.931 42.620 16.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.538 43.266 17.154 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.215 43.384 19.528 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.486 43.135 19.382 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.610 41.115 20.219 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.833 40.812 18.678 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.951 40.941 17.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.781 41.526 18.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.186 39.192 18.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.380 39.424 20.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.526 38.855 18.650 1.00 0.00 H new ATOM 439 N ALA A 28 46.678 45.148 14.916 1.00 0.00 N ATOM 440 CA ALA A 28 46.941 45.785 13.641 1.00 0.00 C ATOM 441 C ALA A 28 46.621 47.281 13.618 1.00 0.00 C ATOM 442 O ALA A 28 47.310 48.037 12.936 1.00 0.00 O ATOM 443 CB ALA A 28 46.179 45.029 12.557 1.00 0.00 C ATOM 0 H ALA A 28 45.866 44.531 14.900 1.00 0.00 H new ATOM 0 HA ALA A 28 48.014 45.734 13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.365 45.495 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.515 43.992 12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.111 45.059 12.775 1.00 0.00 H new ATOM 449 N LYS A 29 45.645 47.746 14.393 1.00 0.00 N ATOM 450 CA LYS A 29 45.393 49.154 14.624 1.00 0.00 C ATOM 451 C LYS A 29 46.547 49.789 15.403 1.00 0.00 C ATOM 452 O LYS A 29 47.058 50.834 15.005 1.00 0.00 O ATOM 453 CB LYS A 29 44.075 49.373 15.361 1.00 0.00 C ATOM 454 CG LYS A 29 42.829 48.947 14.591 1.00 0.00 C ATOM 455 CD LYS A 29 41.572 49.000 15.455 1.00 0.00 C ATOM 456 CE LYS A 29 40.405 48.256 14.812 1.00 0.00 C ATOM 457 NZ LYS A 29 39.819 48.980 13.674 1.00 0.00 N ATOM 0 H LYS A 29 44.995 47.134 14.887 1.00 0.00 H new ATOM 0 HA LYS A 29 45.318 49.637 13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.107 48.825 16.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.986 50.430 15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.700 49.595 13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.966 47.934 14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.785 48.566 16.432 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.291 50.040 15.623 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.747 47.277 14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.633 48.084 15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.032 48.427 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.466 49.904 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.544 49.122 12.942 1.00 0.00 H new ATOM 471 N ILE A 30 47.008 49.133 16.464 1.00 0.00 N ATOM 472 CA ILE A 30 48.139 49.560 17.263 1.00 0.00 C ATOM 473 C ILE A 30 49.440 49.529 16.460 1.00 0.00 C ATOM 474 O ILE A 30 50.263 50.429 16.614 1.00 0.00 O ATOM 475 CB ILE A 30 48.204 48.743 18.551 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.011 49.067 19.445 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.502 48.982 19.317 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.795 48.091 20.598 1.00 0.00 C ATOM 0 H ILE A 30 46.589 48.265 16.797 1.00 0.00 H new ATOM 0 HA ILE A 30 48.001 50.603 17.549 1.00 0.00 H new ATOM 0 HB ILE A 30 48.174 47.691 18.267 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.142 50.069 19.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.110 49.089 18.832 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.504 48.380 20.226 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.350 48.700 18.693 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.580 50.037 19.580 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.926 48.401 21.179 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.628 47.090 20.201 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.676 48.085 21.239 1.00 0.00 H new ATOM 490 N GLN A 31 49.626 48.575 15.552 1.00 0.00 N ATOM 491 CA GLN A 31 50.746 48.548 14.632 1.00 0.00 C ATOM 492 C GLN A 31 50.762 49.782 13.727 1.00 0.00 C ATOM 493 O GLN A 31 51.813 50.394 13.545 1.00 0.00 O ATOM 494 CB GLN A 31 50.690 47.262 13.814 1.00 0.00 C ATOM 495 CG GLN A 31 51.926 47.053 12.942 1.00 0.00 C ATOM 496 CD GLN A 31 51.805 45.855 11.998 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.766 45.213 11.851 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.890 45.497 11.317 1.00 0.00 N ATOM 0 H GLN A 31 48.988 47.787 15.437 1.00 0.00 H new ATOM 0 HA GLN A 31 51.673 48.569 15.204 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.581 46.413 14.489 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.804 47.280 13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.104 47.953 12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.796 46.914 13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.758 46.020 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.854 44.699 10.683 1.00 0.00 H new ATOM 507 N ASP A 32 49.616 50.195 13.195 1.00 0.00 N ATOM 508 CA ASP A 32 49.502 51.393 12.389 1.00 0.00 C ATOM 509 C ASP A 32 49.741 52.673 13.193 1.00 0.00 C ATOM 510 O ASP A 32 50.419 53.581 12.718 1.00 0.00 O ATOM 511 CB ASP A 32 48.148 51.393 11.686 1.00 0.00 C ATOM 512 CG ASP A 32 48.098 52.418 10.552 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.810 52.232 9.543 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.317 53.390 10.652 1.00 0.00 O ATOM 0 H ASP A 32 48.734 49.698 13.316 1.00 0.00 H new ATOM 0 HA ASP A 32 50.292 51.382 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.945 50.399 11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.363 51.612 12.409 1.00 0.00 H new ATOM 519 N LYS A 33 49.244 52.735 14.426 1.00 0.00 N ATOM 520 CA LYS A 33 49.316 53.903 15.279 1.00 0.00 C ATOM 521 C LYS A 33 50.669 54.101 15.966 1.00 0.00 C ATOM 522 O LYS A 33 51.129 55.236 16.070 1.00 0.00 O ATOM 523 CB LYS A 33 48.170 53.840 16.284 1.00 0.00 C ATOM 524 CG LYS A 33 47.955 55.120 17.085 1.00 0.00 C ATOM 525 CD LYS A 33 47.419 56.271 16.239 1.00 0.00 C ATOM 526 CE LYS A 33 47.248 57.571 17.021 1.00 0.00 C ATOM 527 NZ LYS A 33 48.531 58.108 17.498 1.00 0.00 N ATOM 0 H LYS A 33 48.768 51.947 14.865 1.00 0.00 H new ATOM 0 HA LYS A 33 49.214 54.783 14.644 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.250 53.602 15.751 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.357 53.020 16.978 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.258 54.920 17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.899 55.420 17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.098 56.445 15.404 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.458 55.982 15.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.760 58.312 16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.591 57.396 17.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.385 59.061 17.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.914 57.486 18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 49.203 58.157 16.706 1.00 0.00 H new ATOM 541 N GLU A 34 51.302 53.035 16.443 1.00 0.00 N ATOM 542 CA GLU A 34 52.489 53.060 17.275 1.00 0.00 C ATOM 543 C GLU A 34 53.714 52.399 16.637 1.00 0.00 C ATOM 544 O GLU A 34 54.800 52.466 17.209 1.00 0.00 O ATOM 545 CB GLU A 34 52.206 52.370 18.606 1.00 0.00 C ATOM 546 CG GLU A 34 51.172 53.057 19.494 1.00 0.00 C ATOM 547 CD GLU A 34 51.632 54.431 19.987 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.817 54.611 20.343 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.817 55.377 19.985 1.00 0.00 O ATOM 0 H GLU A 34 50.982 52.086 16.248 1.00 0.00 H new ATOM 0 HA GLU A 34 52.728 54.114 17.413 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.868 51.354 18.404 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.141 52.291 19.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.240 53.168 18.939 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.958 52.421 20.353 1.00 0.00 H new ATOM 556 N GLY A 35 53.577 51.713 15.506 1.00 0.00 N ATOM 557 CA GLY A 35 54.684 51.047 14.850 1.00 0.00 C ATOM 558 C GLY A 35 55.164 49.753 15.511 1.00 0.00 C ATOM 559 O GLY A 35 56.221 49.246 15.140 1.00 0.00 O ATOM 0 H GLY A 35 52.686 51.606 15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.393 50.823 13.824 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.523 51.741 14.799 1.00 0.00 H new ATOM 563 N ILE A 36 54.434 49.210 16.482 1.00 0.00 N ATOM 564 CA ILE A 36 54.806 48.026 17.230 1.00 0.00 C ATOM 565 C ILE A 36 54.338 46.782 16.471 1.00 0.00 C ATOM 566 O ILE A 36 53.140 46.651 16.236 1.00 0.00 O ATOM 567 CB ILE A 36 54.238 48.062 18.645 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.584 49.347 19.392 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.748 46.863 19.441 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.836 49.533 20.709 1.00 0.00 C ATOM 0 H ILE A 36 53.538 49.600 16.775 1.00 0.00 H new ATOM 0 HA ILE A 36 55.891 47.994 17.328 1.00 0.00 H new ATOM 0 HB ILE A 36 53.153 48.023 18.548 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.655 49.359 19.592 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.371 50.198 18.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.338 46.896 20.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.434 45.941 18.951 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.836 46.895 19.490 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.143 50.471 21.172 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.763 49.556 20.518 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.067 48.705 21.379 1.00 0.00 H new ATOM 582 N PRO A 37 55.207 45.850 16.088 1.00 0.00 N ATOM 583 CA PRO A 37 54.820 44.700 15.296 1.00 0.00 C ATOM 584 C PRO A 37 53.979 43.685 16.071 1.00 0.00 C ATOM 585 O PRO A 37 54.234 43.447 17.250 1.00 0.00 O ATOM 586 CB PRO A 37 56.123 44.109 14.764 1.00 0.00 C ATOM 587 CG PRO A 37 57.130 44.476 15.850 1.00 0.00 C ATOM 588 CD PRO A 37 56.639 45.846 16.308 1.00 0.00 C ATOM 0 HA PRO A 37 54.160 44.997 14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.051 43.030 14.627 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.396 44.535 13.799 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.130 43.752 16.665 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.148 44.519 15.462 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.873 46.013 17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.123 46.643 15.743 1.00 0.00 H new ATOM 596 N PRO A 38 52.976 43.067 15.455 1.00 0.00 N ATOM 597 CA PRO A 38 51.932 42.346 16.155 1.00 0.00 C ATOM 598 C PRO A 38 52.396 41.038 16.799 1.00 0.00 C ATOM 599 O PRO A 38 51.828 40.645 17.817 1.00 0.00 O ATOM 600 CB PRO A 38 50.833 42.106 15.125 1.00 0.00 C ATOM 601 CG PRO A 38 51.588 42.079 13.800 1.00 0.00 C ATOM 602 CD PRO A 38 52.666 43.131 14.040 1.00 0.00 C ATOM 0 HA PRO A 38 51.584 42.937 17.002 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.309 41.168 15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.084 42.898 15.145 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.013 41.097 13.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.946 42.335 12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.551 42.928 13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.312 44.124 13.762 1.00 0.00 H new ATOM 610 N ASP A 39 53.439 40.389 16.291 1.00 0.00 N ATOM 611 CA ASP A 39 53.966 39.176 16.882 1.00 0.00 C ATOM 612 C ASP A 39 54.651 39.414 18.229 1.00 0.00 C ATOM 613 O ASP A 39 54.773 38.490 19.031 1.00 0.00 O ATOM 614 CB ASP A 39 54.907 38.520 15.876 1.00 0.00 C ATOM 615 CG ASP A 39 55.328 37.106 16.285 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.475 36.194 16.235 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.503 36.906 16.660 1.00 0.00 O ATOM 0 H ASP A 39 53.939 40.695 15.456 1.00 0.00 H new ATOM 0 HA ASP A 39 53.134 38.508 17.104 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.419 38.480 14.902 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.797 39.139 15.762 1.00 0.00 H new ATOM 622 N GLN A 40 55.037 40.655 18.513 1.00 0.00 N ATOM 623 CA GLN A 40 55.594 41.079 19.782 1.00 0.00 C ATOM 624 C GLN A 40 54.525 41.582 20.755 1.00 0.00 C ATOM 625 O GLN A 40 54.671 41.374 21.958 1.00 0.00 O ATOM 626 CB GLN A 40 56.661 42.144 19.547 1.00 0.00 C ATOM 627 CG GLN A 40 57.885 41.565 18.845 1.00 0.00 C ATOM 628 CD GLN A 40 58.937 42.604 18.450 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.334 43.470 19.227 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.437 42.544 17.220 1.00 0.00 N ATOM 0 H GLN A 40 54.965 41.416 17.837 1.00 0.00 H new ATOM 0 HA GLN A 40 56.050 40.207 20.250 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.244 42.952 18.946 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.959 42.578 20.501 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.349 40.827 19.499 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.559 41.037 17.949 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.111 41.827 16.571 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.147 43.214 16.925 1.00 0.00 H new ATOM 639 N GLN A 41 53.451 42.205 20.278 1.00 0.00 N ATOM 640 CA GLN A 41 52.383 42.717 21.111 1.00 0.00 C ATOM 641 C GLN A 41 51.642 41.606 21.859 1.00 0.00 C ATOM 642 O GLN A 41 51.255 40.607 21.258 1.00 0.00 O ATOM 643 CB GLN A 41 51.366 43.480 20.267 1.00 0.00 C ATOM 644 CG GLN A 41 51.817 44.792 19.633 1.00 0.00 C ATOM 645 CD GLN A 41 50.650 45.449 18.893 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.544 45.568 19.415 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.800 45.866 17.638 1.00 0.00 N ATOM 0 H GLN A 41 53.302 42.368 19.282 1.00 0.00 H new ATOM 0 HA GLN A 41 52.853 43.377 21.840 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.029 42.819 19.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.499 43.690 20.894 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.195 45.465 20.402 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.638 44.607 18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.706 45.781 17.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.009 46.271 17.137 1.00 0.00 H new ATOM 656 N ARG A 42 51.370 41.802 23.146 1.00 0.00 N ATOM 657 CA ARG A 42 50.464 41.003 23.947 1.00 0.00 C ATOM 658 C ARG A 42 49.529 41.880 24.781 1.00 0.00 C ATOM 659 O ARG A 42 49.993 42.715 25.554 1.00 0.00 O ATOM 660 CB ARG A 42 51.248 40.076 24.870 1.00 0.00 C ATOM 661 CG ARG A 42 52.048 38.987 24.159 1.00 0.00 C ATOM 662 CD ARG A 42 51.154 38.000 23.414 1.00 0.00 C ATOM 663 NE ARG A 42 51.936 36.935 22.787 1.00 0.00 N ATOM 664 CZ ARG A 42 52.609 37.013 21.631 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.688 38.134 20.901 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.248 35.923 21.183 1.00 0.00 N ATOM 0 H ARG A 42 51.798 42.559 23.678 1.00 0.00 H new ATOM 0 HA ARG A 42 49.859 40.410 23.261 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.932 40.677 25.469 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.552 39.602 25.562 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.740 39.449 23.455 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.650 38.447 24.890 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.435 37.564 24.107 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.582 38.529 22.652 1.00 0.00 H new ATOM 0 HE ARG A 42 51.973 36.043 23.280 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.222 38.984 21.219 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.214 38.138 20.027 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.216 35.056 21.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.766 35.960 20.305 1.00 0.00 H new ATOM 680 N LEU A 43 48.223 41.665 24.648 1.00 0.00 N ATOM 681 CA LEU A 43 47.205 42.328 25.438 1.00 0.00 C ATOM 682 C LEU A 43 46.905 41.519 26.702 1.00 0.00 C ATOM 683 O LEU A 43 46.664 40.317 26.631 1.00 0.00 O ATOM 684 CB LEU A 43 45.943 42.578 24.616 1.00 0.00 C ATOM 685 CG LEU A 43 45.950 43.728 23.611 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.223 45.085 24.254 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.935 43.528 22.463 1.00 0.00 C ATOM 0 H LEU A 43 47.840 41.007 23.969 1.00 0.00 H new ATOM 0 HA LEU A 43 47.585 43.303 25.743 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.714 41.662 24.072 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.122 42.749 25.312 1.00 0.00 H new ATOM 0 HG LEU A 43 44.938 43.722 23.207 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.215 45.859 23.487 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.452 45.299 24.994 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.198 45.067 24.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.886 44.383 21.789 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.945 43.438 22.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.678 42.620 21.917 1.00 0.00 H new ATOM 699 N ILE A 44 46.907 42.189 27.850 1.00 0.00 N ATOM 700 CA ILE A 44 46.630 41.640 29.163 1.00 0.00 C ATOM 701 C ILE A 44 45.390 42.316 29.750 1.00 0.00 C ATOM 702 O ILE A 44 45.293 43.542 29.767 1.00 0.00 O ATOM 703 CB ILE A 44 47.826 41.773 30.101 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.182 41.408 29.503 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.590 40.991 31.389 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.356 39.972 29.017 1.00 0.00 C ATOM 0 H ILE A 44 47.115 43.187 27.885 1.00 0.00 H new ATOM 0 HA ILE A 44 46.437 40.573 29.054 1.00 0.00 H new ATOM 0 HB ILE A 44 47.890 42.841 30.307 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.374 42.076 28.664 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.948 41.608 30.252 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.455 41.099 32.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.703 41.377 31.892 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.443 39.937 31.153 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.361 39.843 28.615 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.207 39.285 29.850 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.624 39.760 28.238 1.00 0.00 H new ATOM 718 N PHE A 45 44.453 41.520 30.255 1.00 0.00 N ATOM 719 CA PHE A 45 43.252 41.978 30.924 1.00 0.00 C ATOM 720 C PHE A 45 42.867 41.037 32.068 1.00 0.00 C ATOM 721 O PHE A 45 42.722 39.833 31.870 1.00 0.00 O ATOM 722 CB PHE A 45 42.124 42.088 29.902 1.00 0.00 C ATOM 723 CG PHE A 45 40.861 42.768 30.371 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.887 44.115 30.754 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.640 42.084 30.344 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.700 44.779 31.085 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.452 42.742 30.681 1.00 0.00 C ATOM 728 CZ PHE A 45 38.481 44.093 31.048 1.00 0.00 C ATOM 0 H PHE A 45 44.516 40.503 30.205 1.00 0.00 H new ATOM 0 HA PHE A 45 43.437 42.959 31.362 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.501 42.628 29.033 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.867 41.083 29.566 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.828 44.644 30.794 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.615 41.042 30.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.725 45.821 31.369 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.513 42.208 30.658 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.564 44.604 31.302 1.00 0.00 H new ATOM 738 N ALA A 46 42.710 41.593 33.267 1.00 0.00 N ATOM 739 CA ALA A 46 42.378 40.903 34.497 1.00 0.00 C ATOM 740 C ALA A 46 43.206 39.638 34.730 1.00 0.00 C ATOM 741 O ALA A 46 42.671 38.546 34.906 1.00 0.00 O ATOM 742 CB ALA A 46 40.865 40.726 34.587 1.00 0.00 C ATOM 0 H ALA A 46 42.819 42.597 33.407 1.00 0.00 H new ATOM 0 HA ALA A 46 42.672 41.523 35.344 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.614 40.207 35.512 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.383 41.704 34.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.516 40.141 33.736 1.00 0.00 H new ATOM 748 N GLY A 47 44.528 39.780 34.689 1.00 0.00 N ATOM 749 CA GLY A 47 45.483 38.722 34.949 1.00 0.00 C ATOM 750 C GLY A 47 45.789 37.772 33.789 1.00 0.00 C ATOM 751 O GLY A 47 46.775 37.045 33.882 1.00 0.00 O ATOM 0 H GLY A 47 44.974 40.670 34.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.419 39.180 35.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.115 38.129 35.786 1.00 0.00 H new ATOM 755 N LYS A 48 45.010 37.774 32.711 1.00 0.00 N ATOM 756 CA LYS A 48 45.114 36.846 31.602 1.00 0.00 C ATOM 757 C LYS A 48 45.674 37.497 30.335 1.00 0.00 C ATOM 758 O LYS A 48 45.346 38.641 30.030 1.00 0.00 O ATOM 759 CB LYS A 48 43.741 36.226 31.364 1.00 0.00 C ATOM 760 CG LYS A 48 43.778 35.069 30.370 1.00 0.00 C ATOM 761 CD LYS A 48 42.423 34.375 30.248 1.00 0.00 C ATOM 762 CE LYS A 48 42.531 33.181 29.305 1.00 0.00 C ATOM 763 NZ LYS A 48 41.266 32.432 29.267 1.00 0.00 N ATOM 0 H LYS A 48 44.259 38.453 32.587 1.00 0.00 H new ATOM 0 HA LYS A 48 45.831 36.067 31.861 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.339 35.871 32.313 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.060 36.993 30.996 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.084 35.441 29.392 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.529 34.345 30.685 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.085 34.044 31.230 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.678 35.077 29.875 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.786 33.525 28.303 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.338 32.525 29.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.361 31.624 28.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.038 32.087 30.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.503 33.055 28.933 1.00 0.00 H new ATOM 777 N GLN A 49 46.469 36.748 29.576 1.00 0.00 N ATOM 778 CA GLN A 49 46.934 37.116 28.253 1.00 0.00 C ATOM 779 C GLN A 49 45.910 36.716 27.189 1.00 0.00 C ATOM 780 O GLN A 49 45.453 35.574 27.165 1.00 0.00 O ATOM 781 CB GLN A 49 48.284 36.453 27.998 1.00 0.00 C ATOM 782 CG GLN A 49 48.924 36.827 26.665 1.00 0.00 C ATOM 783 CD GLN A 49 50.161 35.969 26.389 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.304 36.381 26.572 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.980 34.740 25.914 1.00 0.00 N ATOM 0 H GLN A 49 46.816 35.838 29.880 1.00 0.00 H new ATOM 0 HA GLN A 49 47.054 38.198 28.196 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.966 36.723 28.804 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.158 35.371 28.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.200 36.696 25.861 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.203 37.881 26.675 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.036 34.387 25.758 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.786 34.150 25.706 1.00 0.00 H new ATOM 794 N LEU A 50 45.571 37.633 26.289 1.00 0.00 N ATOM 795 CA LEU A 50 44.575 37.415 25.259 1.00 0.00 C ATOM 796 C LEU A 50 45.160 36.722 24.028 1.00 0.00 C ATOM 797 O LEU A 50 46.312 36.947 23.662 1.00 0.00 O ATOM 798 CB LEU A 50 43.904 38.741 24.913 1.00 0.00 C ATOM 799 CG LEU A 50 42.815 39.195 25.881 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.266 39.429 27.320 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.204 40.502 25.386 1.00 0.00 C ATOM 0 H LEU A 50 45.991 38.562 26.259 1.00 0.00 H new ATOM 0 HA LEU A 50 43.817 36.734 25.645 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.670 39.515 24.865 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.470 38.660 23.916 1.00 0.00 H new ATOM 0 HG LEU A 50 42.107 38.366 25.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.414 39.748 27.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.672 38.504 27.729 1.00 0.00 H new ATOM 0 HD13 LEU A 50 44.034 40.202 27.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.426 40.825 26.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 42.979 41.267 25.328 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.770 40.349 24.398 1.00 0.00 H new ATOM 813 N GLU A 51 44.346 35.901 23.371 1.00 0.00 N ATOM 814 CA GLU A 51 44.622 35.258 22.102 1.00 0.00 C ATOM 815 C GLU A 51 44.388 36.210 20.927 1.00 0.00 C ATOM 816 O GLU A 51 44.102 37.389 21.118 1.00 0.00 O ATOM 817 CB GLU A 51 43.793 33.982 21.996 1.00 0.00 C ATOM 818 CG GLU A 51 44.210 32.925 23.015 1.00 0.00 C ATOM 819 CD GLU A 51 43.256 31.729 23.037 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.725 31.418 24.126 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.042 31.081 21.991 1.00 0.00 O ATOM 0 H GLU A 51 43.425 35.656 23.736 1.00 0.00 H new ATOM 0 HA GLU A 51 45.676 34.985 22.056 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.740 34.224 22.140 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.892 33.571 20.991 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.217 32.579 22.784 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.247 33.375 24.007 1.00 0.00 H new ATOM 828 N ASP A 52 44.548 35.747 19.691 1.00 0.00 N ATOM 829 CA ASP A 52 44.515 36.570 18.498 1.00 0.00 C ATOM 830 C ASP A 52 43.158 36.665 17.797 1.00 0.00 C ATOM 831 O ASP A 52 42.649 37.768 17.607 1.00 0.00 O ATOM 832 CB ASP A 52 45.626 36.121 17.554 1.00 0.00 C ATOM 833 CG ASP A 52 46.994 36.517 18.112 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.290 37.732 18.131 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.733 35.638 18.604 1.00 0.00 O ATOM 0 H ASP A 52 44.709 34.760 19.492 1.00 0.00 H new ATOM 0 HA ASP A 52 44.689 37.596 18.824 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.581 35.041 17.417 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.482 36.573 16.572 1.00 0.00 H new ATOM 840 N GLY A 53 42.548 35.550 17.405 1.00 0.00 N ATOM 841 CA GLY A 53 41.371 35.536 16.560 1.00 0.00 C ATOM 842 C GLY A 53 40.027 35.746 17.261 1.00 0.00 C ATOM 843 O GLY A 53 38.997 35.781 16.591 1.00 0.00 O ATOM 0 H GLY A 53 42.867 34.619 17.673 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.486 36.311 15.802 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.338 34.580 16.037 1.00 0.00 H new ATOM 847 N ARG A 54 40.031 35.837 18.587 1.00 0.00 N ATOM 848 CA ARG A 54 38.863 36.040 19.420 1.00 0.00 C ATOM 849 C ARG A 54 38.482 37.520 19.488 1.00 0.00 C ATOM 850 O ARG A 54 39.330 38.389 19.298 1.00 0.00 O ATOM 851 CB ARG A 54 39.075 35.446 20.810 1.00 0.00 C ATOM 852 CG ARG A 54 39.532 33.989 20.790 1.00 0.00 C ATOM 853 CD ARG A 54 39.423 33.327 22.160 1.00 0.00 C ATOM 854 NE ARG A 54 38.035 33.016 22.505 1.00 0.00 N ATOM 855 CZ ARG A 54 37.369 31.885 22.241 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.927 30.817 21.656 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.073 31.821 22.575 1.00 0.00 N ATOM 0 H ARG A 54 40.892 35.767 19.130 1.00 0.00 H new ATOM 0 HA ARG A 54 38.026 35.513 18.963 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.816 36.043 21.342 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.144 35.518 21.372 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.931 33.432 20.071 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.565 33.940 20.447 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.014 32.411 22.169 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.847 33.987 22.917 1.00 0.00 H new ATOM 0 HE ARG A 54 37.518 33.741 23.002 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.911 30.839 21.387 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.368 29.982 21.480 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.620 32.621 23.018 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.539 30.973 22.386 1.00 0.00 H new ATOM 871 N THR A 55 37.208 37.804 19.743 1.00 0.00 N ATOM 872 CA THR A 55 36.640 39.137 19.744 1.00 0.00 C ATOM 873 C THR A 55 36.627 39.812 21.119 1.00 0.00 C ATOM 874 O THR A 55 36.636 39.144 22.150 1.00 0.00 O ATOM 875 CB THR A 55 35.250 39.154 19.117 1.00 0.00 C ATOM 876 OG1 THR A 55 34.400 38.194 19.705 1.00 0.00 O ATOM 877 CG2 THR A 55 35.309 38.835 17.626 1.00 0.00 C ATOM 0 H THR A 55 36.522 37.081 19.962 1.00 0.00 H new ATOM 0 HA THR A 55 37.312 39.733 19.126 1.00 0.00 H new ATOM 0 HB THR A 55 34.862 40.159 19.283 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.518 38.234 19.280 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.302 38.855 17.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.926 39.577 17.119 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.741 37.845 17.483 1.00 0.00 H new ATOM 885 N LEU A 56 36.596 41.141 21.142 1.00 0.00 N ATOM 886 CA LEU A 56 36.551 41.928 22.358 1.00 0.00 C ATOM 887 C LEU A 56 35.361 41.570 23.251 1.00 0.00 C ATOM 888 O LEU A 56 35.520 41.453 24.465 1.00 0.00 O ATOM 889 CB LEU A 56 36.521 43.412 22.002 1.00 0.00 C ATOM 890 CG LEU A 56 37.817 43.973 21.424 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.581 45.384 20.894 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.928 44.059 22.468 1.00 0.00 C ATOM 0 H LEU A 56 36.602 41.708 20.294 1.00 0.00 H new ATOM 0 HA LEU A 56 37.449 41.699 22.931 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.720 43.579 21.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.268 43.978 22.898 1.00 0.00 H new ATOM 0 HG LEU A 56 38.124 43.292 20.630 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.510 45.778 20.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.821 45.357 20.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.243 46.026 21.707 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.829 44.464 22.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.612 44.711 23.283 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.137 43.064 22.860 1.00 0.00 H new ATOM 904 N SER A 57 34.188 41.334 22.670 1.00 0.00 N ATOM 905 CA SER A 57 33.004 40.888 23.374 1.00 0.00 C ATOM 906 C SER A 57 33.162 39.517 24.036 1.00 0.00 C ATOM 907 O SER A 57 32.662 39.319 25.140 1.00 0.00 O ATOM 908 CB SER A 57 31.814 40.878 22.420 1.00 0.00 C ATOM 909 OG SER A 57 32.041 39.979 21.357 1.00 0.00 O ATOM 0 H SER A 57 34.038 41.453 21.668 1.00 0.00 H new ATOM 0 HA SER A 57 32.836 41.597 24.185 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.911 40.593 22.959 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.647 41.881 22.027 1.00 0.00 H new ATOM 0 HG SER A 57 31.268 39.983 20.754 1.00 0.00 H new ATOM 915 N ASP A 58 33.904 38.591 23.436 1.00 0.00 N ATOM 916 CA ASP A 58 34.155 37.275 23.989 1.00 0.00 C ATOM 917 C ASP A 58 35.067 37.307 25.218 1.00 0.00 C ATOM 918 O ASP A 58 34.916 36.493 26.126 1.00 0.00 O ATOM 919 CB ASP A 58 34.731 36.380 22.895 1.00 0.00 C ATOM 920 CG ASP A 58 34.720 34.911 23.322 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.793 34.359 23.651 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.638 34.287 23.275 1.00 0.00 O ATOM 0 H ASP A 58 34.354 38.743 22.534 1.00 0.00 H new ATOM 0 HA ASP A 58 33.206 36.869 24.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.151 36.500 21.980 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.752 36.688 22.669 1.00 0.00 H new ATOM 927 N TYR A 59 35.956 38.293 25.283 1.00 0.00 N ATOM 928 CA TYR A 59 36.712 38.659 26.465 1.00 0.00 C ATOM 929 C TYR A 59 35.981 39.610 27.413 1.00 0.00 C ATOM 930 O TYR A 59 36.553 40.009 28.427 1.00 0.00 O ATOM 931 CB TYR A 59 38.093 39.170 26.060 1.00 0.00 C ATOM 932 CG TYR A 59 39.043 38.086 25.608 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.423 37.094 26.519 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.566 38.090 24.310 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.313 36.085 26.130 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.489 37.111 23.923 1.00 0.00 C ATOM 937 CZ TYR A 59 40.851 36.093 24.828 1.00 0.00 C ATOM 938 OH TYR A 59 41.734 35.124 24.452 1.00 0.00 O ATOM 0 H TYR A 59 36.175 38.880 24.478 1.00 0.00 H new ATOM 0 HA TYR A 59 36.835 37.752 27.058 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.978 39.896 25.256 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.536 39.697 26.905 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.029 37.107 27.524 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.257 38.849 23.606 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.586 35.304 26.825 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.922 37.136 22.934 1.00 0.00 H new ATOM 0 HH TYR A 59 41.307 34.245 24.528 1.00 0.00 H new ATOM 948 N ASN A 60 34.715 39.926 27.159 1.00 0.00 N ATOM 949 CA ASN A 60 33.885 40.794 27.969 1.00 0.00 C ATOM 950 C ASN A 60 34.454 42.204 28.138 1.00 0.00 C ATOM 951 O ASN A 60 34.375 42.799 29.210 1.00 0.00 O ATOM 952 CB ASN A 60 33.518 40.079 29.266 1.00 0.00 C ATOM 953 CG ASN A 60 32.358 40.712 30.037 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.624 41.574 29.557 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.123 40.255 31.263 1.00 0.00 N ATOM 0 H ASN A 60 34.222 39.564 26.343 1.00 0.00 H new ATOM 0 HA ASN A 60 32.953 40.987 27.438 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.262 39.045 29.035 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.395 40.054 29.912 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.337 40.619 31.801 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.729 39.540 31.666 1.00 0.00 H new ATOM 962 N ILE A 61 35.049 42.759 27.085 1.00 0.00 N ATOM 963 CA ILE A 61 35.559 44.115 27.046 1.00 0.00 C ATOM 964 C ILE A 61 34.464 45.030 26.494 1.00 0.00 C ATOM 965 O ILE A 61 34.033 44.870 25.354 1.00 0.00 O ATOM 966 CB ILE A 61 36.859 44.172 26.249 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.948 43.345 26.926 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.323 45.617 26.091 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.138 43.010 26.032 1.00 0.00 C ATOM 0 H ILE A 61 35.191 42.255 26.210 1.00 0.00 H new ATOM 0 HA ILE A 61 35.811 44.466 28.047 1.00 0.00 H new ATOM 0 HB ILE A 61 36.669 43.751 25.262 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.308 43.888 27.800 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.508 42.415 27.287 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.251 45.641 25.520 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.559 46.189 25.565 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.491 46.055 27.075 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.862 42.421 26.595 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.796 42.437 25.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.608 43.932 25.691 1.00 0.00 H new ATOM 981 N GLN A 62 33.998 45.966 27.316 1.00 0.00 N ATOM 982 CA GLN A 62 32.914 46.881 27.018 1.00 0.00 C ATOM 983 C GLN A 62 33.402 48.329 26.937 1.00 0.00 C ATOM 984 O GLN A 62 34.591 48.598 27.094 1.00 0.00 O ATOM 985 CB GLN A 62 31.809 46.677 28.052 1.00 0.00 C ATOM 986 CG GLN A 62 31.311 45.237 28.124 1.00 0.00 C ATOM 987 CD GLN A 62 30.126 45.042 29.073 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.181 45.827 29.107 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.108 43.961 29.847 1.00 0.00 N ATOM 0 H GLN A 62 34.387 46.109 28.248 1.00 0.00 H new ATOM 0 HA GLN A 62 32.506 46.665 26.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.179 46.976 29.033 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.972 47.333 27.813 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.022 44.912 27.125 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.131 44.594 28.444 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.888 43.305 29.825 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.314 43.788 30.463 1.00 0.00 H new ATOM 998 N LYS A 63 32.505 49.281 26.697 1.00 0.00 N ATOM 999 CA LYS A 63 32.793 50.700 26.652 1.00 0.00 C ATOM 1000 C LYS A 63 33.601 51.200 27.852 1.00 0.00 C ATOM 1001 O LYS A 63 33.392 50.767 28.983 1.00 0.00 O ATOM 1002 CB LYS A 63 31.501 51.495 26.486 1.00 0.00 C ATOM 1003 CG LYS A 63 30.589 51.482 27.709 1.00 0.00 C ATOM 1004 CD LYS A 63 29.281 52.226 27.451 1.00 0.00 C ATOM 1005 CE LYS A 63 28.383 52.241 28.685 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.881 53.153 29.725 1.00 0.00 N ATOM 0 H LYS A 63 31.522 49.071 26.523 1.00 0.00 H new ATOM 0 HA LYS A 63 33.430 50.862 25.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.753 52.528 26.247 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.951 51.096 25.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.371 50.451 27.989 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.106 51.939 28.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.499 53.250 27.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.752 51.754 26.623 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.375 52.539 28.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.312 51.233 29.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.222 53.156 30.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.818 52.835 30.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.957 54.115 29.336 1.00 0.00 H new ATOM 1020 N GLU A 64 34.506 52.143 27.610 1.00 0.00 N ATOM 1021 CA GLU A 64 35.337 52.787 28.608 1.00 0.00 C ATOM 1022 C GLU A 64 36.225 51.829 29.405 1.00 0.00 C ATOM 1023 O GLU A 64 36.513 52.059 30.577 1.00 0.00 O ATOM 1024 CB GLU A 64 34.490 53.706 29.484 1.00 0.00 C ATOM 1025 CG GLU A 64 35.233 54.949 29.964 1.00 0.00 C ATOM 1026 CD GLU A 64 35.194 56.105 28.964 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.151 57.268 29.419 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.162 55.878 27.735 1.00 0.00 O ATOM 0 H GLU A 64 34.684 52.491 26.668 1.00 0.00 H new ATOM 0 HA GLU A 64 36.059 53.404 28.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.607 54.014 28.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.139 53.146 30.351 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.800 55.280 30.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.272 54.687 30.165 1.00 0.00 H new ATOM 1035 N SER A 65 36.647 50.719 28.807 1.00 0.00 N ATOM 1036 CA SER A 65 37.577 49.785 29.408 1.00 0.00 C ATOM 1037 C SER A 65 39.033 50.212 29.208 1.00 0.00 C ATOM 1038 O SER A 65 39.363 50.804 28.183 1.00 0.00 O ATOM 1039 CB SER A 65 37.410 48.381 28.833 1.00 0.00 C ATOM 1040 OG SER A 65 36.113 47.889 29.088 1.00 0.00 O ATOM 0 H SER A 65 36.343 50.444 27.873 1.00 0.00 H new ATOM 0 HA SER A 65 37.346 49.780 30.473 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.593 48.398 27.759 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.151 47.712 29.272 1.00 0.00 H new ATOM 0 HG SER A 65 35.496 48.223 28.404 1.00 0.00 H new ATOM 1046 N THR A 66 39.910 49.837 30.134 1.00 0.00 N ATOM 1047 CA THR A 66 41.348 49.977 30.024 1.00 0.00 C ATOM 1048 C THR A 66 42.023 48.605 29.966 1.00 0.00 C ATOM 1049 O THR A 66 41.797 47.767 30.836 1.00 0.00 O ATOM 1050 CB THR A 66 41.917 50.810 31.170 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.364 52.108 31.155 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.426 51.007 31.061 1.00 0.00 C ATOM 0 H THR A 66 39.621 49.411 31.015 1.00 0.00 H new ATOM 0 HA THR A 66 41.559 50.505 29.094 1.00 0.00 H new ATOM 0 HB THR A 66 41.672 50.260 32.079 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.736 52.631 31.896 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.776 51.606 31.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.922 50.036 31.076 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.660 51.520 30.128 1.00 0.00 H new ATOM 1060 N LEU A 67 42.874 48.388 28.967 1.00 0.00 N ATOM 1061 CA LEU A 67 43.676 47.200 28.755 1.00 0.00 C ATOM 1062 C LEU A 67 45.160 47.509 28.956 1.00 0.00 C ATOM 1063 O LEU A 67 45.563 48.667 28.862 1.00 0.00 O ATOM 1064 CB LEU A 67 43.445 46.658 27.347 1.00 0.00 C ATOM 1065 CG LEU A 67 42.004 46.542 26.857 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.979 45.965 25.445 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.156 45.644 27.755 1.00 0.00 C ATOM 0 H LEU A 67 43.027 49.087 28.240 1.00 0.00 H new ATOM 0 HA LEU A 67 43.376 46.447 29.483 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.986 47.297 26.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.899 45.669 27.290 1.00 0.00 H new ATOM 0 HG LEU A 67 41.584 47.547 26.876 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.947 45.885 25.103 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.534 46.621 24.774 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.438 44.976 25.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.140 45.594 27.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.586 44.643 27.778 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.136 46.054 28.765 1.00 0.00 H new ATOM 1079 N HIS A 68 46.001 46.497 29.156 1.00 0.00 N ATOM 1080 CA HIS A 68 47.437 46.650 29.278 1.00 0.00 C ATOM 1081 C HIS A 68 48.161 45.982 28.107 1.00 0.00 C ATOM 1082 O HIS A 68 47.741 44.920 27.656 1.00 0.00 O ATOM 1083 CB HIS A 68 47.908 46.109 30.624 1.00 0.00 C ATOM 1084 CG HIS A 68 47.161 46.667 31.803 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.508 47.808 32.525 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.983 46.170 32.300 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.516 48.007 33.397 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.596 47.033 33.304 1.00 0.00 N ATOM 0 H HIS A 68 45.690 45.529 29.239 1.00 0.00 H new ATOM 0 HA HIS A 68 47.684 47.711 29.239 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.807 45.024 30.623 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.969 46.330 30.742 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.463 45.282 31.971 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.461 48.839 34.084 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.756 46.946 33.877 1.00 0.00 H new ATOM 1096 N LEU A 69 49.250 46.573 27.624 1.00 0.00 N ATOM 1097 CA LEU A 69 50.043 46.097 26.509 1.00 0.00 C ATOM 1098 C LEU A 69 51.496 45.856 26.922 1.00 0.00 C ATOM 1099 O LEU A 69 52.210 46.789 27.286 1.00 0.00 O ATOM 1100 CB LEU A 69 49.903 47.081 25.352 1.00 0.00 C ATOM 1101 CG LEU A 69 50.789 46.836 24.134 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.606 45.452 23.517 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.462 47.854 23.044 1.00 0.00 C ATOM 0 H LEU A 69 49.616 47.438 28.023 1.00 0.00 H new ATOM 0 HA LEU A 69 49.674 45.127 26.175 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.864 47.075 25.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.112 48.082 25.729 1.00 0.00 H new ATOM 0 HG LEU A 69 51.814 46.925 24.493 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.266 45.347 22.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.850 44.689 24.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.571 45.330 23.197 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.097 47.675 22.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.416 47.754 22.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.639 48.861 23.422 1.00 0.00 H new ATOM 1115 N VAL A 70 51.934 44.605 26.819 1.00 0.00 N ATOM 1116 CA VAL A 70 53.284 44.145 27.082 1.00 0.00 C ATOM 1117 C VAL A 70 53.898 43.500 25.839 1.00 0.00 C ATOM 1118 O VAL A 70 53.199 43.214 24.870 1.00 0.00 O ATOM 1119 CB VAL A 70 53.339 43.210 28.288 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.723 43.853 29.526 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.672 41.858 28.053 1.00 0.00 C ATOM 0 H VAL A 70 51.317 43.845 26.533 1.00 0.00 H new ATOM 0 HA VAL A 70 53.885 45.019 27.331 1.00 0.00 H new ATOM 0 HB VAL A 70 54.402 43.031 28.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.780 43.158 30.364 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.268 44.764 29.772 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.679 44.097 29.328 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.753 41.251 28.955 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.620 42.009 27.810 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.166 41.347 27.226 1.00 0.00 H new